*HEADER    IMMUNE SYSTEM                           05-APR-10   2KWD              
*TITLE     SUPRAMOLECULAR PROTEIN STRUCTURE DETERMINATION BY SITE-SPECIFIC LONG- 
*TITLE    2 RANGE INTERMOLECULAR SOLID STATE NMR SPECTROSCOPY                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN G;                        
*COMPND   3 CHAIN: A, B, C, D, E;                                                
*COMPND   4 SYNONYM: IGG-BINDING PROTEIN G;                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. 'GROUP G';                    
*SOURCE   3 ORGANISM_TAXID: 1320;                                                
*SOURCE   4 GENE: SPG;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET                                        
*KEYWDS    GB1, CRYSTAL PACKING, SOLID-STATE, QUATERNARY STRUCTURE, TEDOR,       
*KEYWDS   2 IMMUNE SYSTEM                                                        
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    10                                                                    
*AUTHOR    A.J.NIEUWKOOP, C.M.RIENSTRA                                           
*REVDAT   1   02-JUN-10 2KWD    0                                                

! Intermolecular restraints
! first appearing in n24 < 5 
! first appearing in n48 < 7 
! first appearing in n60 < 8
! Mirrored so that GB1A has all the N and C restraints

assign((segid GB1B and resid 20 and name N) or 
(segid GB1C and resid 20 and name N) or 
(segid GB1D and resid 20 and name N) or 
(segid GB1E and resid 20 and name N))
((segid GB1A and resid 31 and name CG) or
(segid GB1A and resid 31 and name CG)) 4.0 3.0 3.0 !A20N-K31CG or I6CG1

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or
(segid GB1B and resid 42 and name N) or 
(segid GB1C and resid 42 and name N) or 
(segid GB1D and resid 42 and name N) or 
(segid GB1E and resid 42 and name N) or
(segid GB1B and resid 48 and name N) or 
(segid GB1C and resid 48 and name N) or 
(segid GB1D and resid 48 and name N) or 
(segid GB1E and resid 48 and name N)) 
((segid GB1A and resid 12 and name CA) or
(segid GB1A and resid 47 and name CA) or
(segid GB1A and resid 24 and name CA) or
(segid GB1A and resid 23 and name CA)) 3.0 2.0 2.0 !A48N-L12CA

assign((segid GB1B and resid 46 and name N) or 
(segid GB1C and resid 46 and name N) or 
(segid GB1D and resid 46 and name N) or 
(segid GB1E and resid 46 and name N) or
(segid GB1B and resid  6 and name N) or 
(segid GB1C and resid  6 and name N) or 
(segid GB1D and resid  6 and name N) or 
(segid GB1E and resid  6 and name N))
((segid GB1A and resid 12 and name CA) or
(segid GB1A and resid 47 and name CA) or
(segid GB1A and resid 24 and name CA) or
(segid GB1A and resid 23 and name CA)) 3.0 2.0 2.0  !D46N-L12CA

assign((segid GB1B and resid 46 and name N) or 
(segid GB1C and resid 46 and name N) or 
(segid GB1D and resid 46 and name N) or 
(segid GB1E and resid 46 and name N))
((segid GB1A and resid 12 and name CD1) or
(segid GB1A and resid  7 and name CD1) or
(segid GB1A and resid 13 and name CG)) 3.0 2.0 2.0 !D46N-L12CD1

assign((segid GB1B and resid 46 and name N) or 
(segid GB1C and resid 46 and name N) or 
(segid GB1D and resid 46 and name N) or 
(segid GB1E and resid 46 and name N))
(segid GB1A and resid 12 and name CD2) 3.0 2.0 2.0 !D46N-L12CD2

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N))
((segid GB1A and resid 12 and name CA) or
(segid GB1A and resid 47 and name CA) or
(segid GB1A and resid 24 and name CA) or
(segid GB1A and resid 23 and name CA)) 3.0 2.0 2.0  !D47N-L12CA

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N))
((segid GB1A and resid 12 and name CD1) or
(segid GB1A and resid  7 and name CD1) or
(segid GB1A and resid 13 and name CG)) 4.0 3.0 3.0 !D47N-L12CD1

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N))
(segid GB1A and resid 12 and name CD2) 3.0 2.0 2.0 !D47N-L12CD2

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N))
((segid GB1A and resid  9 and name C) or
(segid GB1A and resid  4 and name C) or 
(segid GB1A and resid 11 and name C)) 3.0 2.0 2.0 !D47N-T11C

assign((segid GB1B and resid 15 and name N) or 
(segid GB1C and resid 15 and name N) or 
(segid GB1D and resid 15 and name N) or 
(segid GB1E and resid 15 and name N) or 
(segid GB1B and resid 32 and name N) or 
(segid GB1C and resid 32 and name N) or 
(segid GB1D and resid 32 and name N) or 
(segid GB1E and resid 32 and name N) or 
(segid GB1B and resid 36 and name N) or 
(segid GB1C and resid 36 and name N) or 
(segid GB1D and resid 36 and name N) or 
(segid GB1E and resid 36 and name N) or 
(segid GB1B and resid 10 and name N) or 
(segid GB1C and resid 10 and name N) or 
(segid GB1D and resid 10 and name N) or 
(segid GB1E and resid 10 and name N))
((segid GB1A and resid 44 and name CG2) or 
(segid GB1A and resid 29 and name CG1)) 3.0 2.0 2.0 !E15N-T44CG2

assign((segid GB1B and resid 15 and name N) or 
(segid GB1C and resid 15 and name N) or 
(segid GB1D and resid 15 and name N) or 
(segid GB1E and resid 15 and name N) or 
(segid GB1B and resid 32 and name N) or 
(segid GB1C and resid 32 and name N) or 
(segid GB1D and resid 32 and name N) or 
(segid GB1E and resid 32 and name N) or 
(segid GB1B and resid 36 and name N) or 
(segid GB1C and resid 36 and name N) or 
(segid GB1D and resid 36 and name N) or 
(segid GB1E and resid 36 and name N) or 
(segid GB1B and resid 10 and name N) or 
(segid GB1C and resid 10 and name N) or 
(segid GB1D and resid 10 and name N) or 
(segid GB1E and resid 10 and name N))
((segid GB1A and resid 43 and name C) or 
(segid GB1A and resid 26 and name C)) 3.0 2.0 2.0 !E15N-W43C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or
(segid GB1B and resid 42 and name N) or 
(segid GB1C and resid 42 and name N) or 
(segid GB1D and resid 42 and name N) or 
(segid GB1E and resid 42 and name N) or
(segid GB1B and resid 48 and name N) or 
(segid GB1C and resid 48 and name N) or 
(segid GB1D and resid 48 and name N) or 
(segid GB1E and resid 48 and name N))
((segid GB1A and resid 14 and name C) or
(segid GB1A and resid 18 and name C) or
(segid GB1A and resid  1 and name C)) 4.5 3.5 3.5 !E42N-G14C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or
(segid GB1B and resid 42 and name N) or 
(segid GB1C and resid 42 and name N) or 
(segid GB1D and resid 42 and name N) or 
(segid GB1E and resid 42 and name N) or
(segid GB1B and resid 48 and name N) or 
(segid GB1C and resid 48 and name N) or 
(segid GB1D and resid 48 and name N) or 
(segid GB1E and resid 48 and name N))
(segid GB1A and resid 1 and name CE) 4.0 3.0 3.0 !F30N-M1CE

assign((segid GB1B and resid 14 and name N) or 
(segid GB1C and resid 14 and name N) or 
(segid GB1D and resid 14 and name N) or 
(segid GB1E and resid 14 and name N))
((segid GB1A and resid 44 and name CG2) or 
(segid GB1A and resid 29 and name CG1)) 3.0 2.0 2.0 !G14N-T44CG2

assign((segid GB1B and resid 14 and name N) or 
(segid GB1C and resid 14 and name N) or 
(segid GB1D and resid 14 and name N) or 
(segid GB1E and resid 14 and name N))
((segid GB1A and resid 43 and name C) or 
(segid GB1A and resid 26 and name C)) 3.0 2.0 2.0 !G14N-W43C

assign((segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N) or
(segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N))
((segid GB1A and resid 45 and name C) or
(segid GB1A and resid 16 and name C)) 3.0 2.0 2.0 !K13N-Y45C

assign((segid GB1B and resid 28 and name N) or 
(segid GB1C and resid 28 and name N) or 
(segid GB1D and resid 28 and name N) or 
(segid GB1E and resid 28 and name N) or
(segid GB1B and resid 25 and name N) or 
(segid GB1C and resid 25 and name N) or 
(segid GB1D and resid 25 and name N) or 
(segid GB1E and resid 25 and name N))
(segid GB1A and resid 1 and name CE) 3.0 2.0 2.0 !K28N-M1CE

assign((segid GB1B and resid 31 and name N) or 
(segid GB1C and resid 31 and name N) or 
(segid GB1D and resid 31 and name N) or 
(segid GB1E and resid 31 and name N))
(segid GB1A and resid 1 and name CE) 3.0 2.0 2.0 !K31N-M1CE

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ))
((segid GB1A and resid 20 and name C) or
(segid GB1A and resid 42 and name C) or
(segid GB1A and resid 32 and name C)) 4.0 3.0 3.0 !K31NZ-A20C

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ))
(segid GB1A and resid 20 and name CB) 4.5 3.5 3.5 !K31NZ-A20CB

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ))
(segid GB1A and resid 1 and name CB) 3.0 2.0 2.0 !K31NZ-M1CB

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ))
(segid GB1A and resid 1 and name CE) 3.0 2.0 2.0 !K31NZ-M1CE

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ))
((segid GB1A and resid 21 and name C) or
(segid GB1A and resid  3 and name C) or
(segid GB1A and resid 40 and name C) or
(segid GB1A and resid  2 and name C)) 3.0 2.0 2.0 !K31NZ-V21C

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ))
(segid GB1A and resid 21 and name CG1) 3.0 2.0 2.0 !K31NZ-V21CG1

assign((segid GB1B and resid 12 and name N) or 
(segid GB1C and resid 12 and name N) or 
(segid GB1D and resid 12 and name N) or 
(segid GB1E and resid 12 and name N))
(segid GB1A and resid 48 and name CB) 3.0 2.0 2.0 !L12N-A48CB

assign((segid GB1B and resid 12 and name N) or 
(segid GB1C and resid 12 and name N) or 
(segid GB1D and resid 12 and name N) or 
(segid GB1E and resid 12 and name N))
((segid GB1A and resid 45 and name C) or
(segid GB1A and resid 16 and name C)) 3.0 2.0 2.0 !L12N-Y45C

assign((segid GB1B and resid 1 and name N) or 
(segid GB1C and resid 1 and name N) or 
(segid GB1D and resid 1 and name N) or 
(segid GB1E and resid 1 and name N))
((segid GB1A and resid 24 and name CB) or
(segid GB1A and resid 23 and name CB)) 4.5 3.5 3.5 !M1N-A24CB

assign((segid GB1B and resid 1 and name N) or 
(segid GB1C and resid 1 and name N) or 
(segid GB1D and resid 1 and name N) or 
(segid GB1E and resid 1 and name N))
(segid GB1A and resid 27 and name CG) 4.0 3.0 3.0 !M1N-A27CG

assign((segid GB1B and resid 1 and name N) or 
(segid GB1C and resid 1 and name N) or 
(segid GB1D and resid 1 and name N) or 
(segid GB1E and resid 1 and name N))
(segid GB1A and resid 27 and name CD) 3.0 2.0 2.0 !M1N-E27CD


assign((segid GB1B and resid 19 and name N) or 
(segid GB1C and resid 19 and name N) or 
(segid GB1D and resid 19 and name N) or 
(segid GB1E and resid 19 and name N) or
(segid GB1B and resid 2 and name N) or 
(segid GB1C and resid 2 and name N) or 
(segid GB1D and resid 2 and name N) or 
(segid GB1E and resid 2 and name N))
((segid GB1A and resid 24 and name CB)or
(segid GB1A and resid 23 and name CB)) 4.5 3.5 3.5 !Q2N-A24CB

assign((segid GB1B and resid 32 and name NE2) or 
(segid GB1C and resid 32 and name NE2) or 
(segid GB1D and resid 32 and name NE2) or 
(segid GB1E and resid 32 and name NE2) or
(segid GB1B and resid 17 and name N) or 
(segid GB1C and resid 17 and name N) or 
(segid GB1D and resid 17 and name N) or 
(segid GB1E and resid 17 and name N) or
(segid GB1B and resid 22 and name N) or 
(segid GB1C and resid 22 and name N) or 
(segid GB1D and resid 22 and name N) or 
(segid GB1E and resid 22 and name N))
((segid GB1A and resid 36 and name CB)or
(segid GB1A and resid  8 and name CB)) 4.0 3.0 3.0 !Q32NE2-D36CB

assign((segid GB1B and resid 11 and name N) or 
(segid GB1C and resid 11 and name N) or 
(segid GB1D and resid 11 and name N) or 
(segid GB1E and resid 11 and name N))
(segid GB1A and resid 48 and name CB) 4.0 3.0 3.0 !T11N-A48CB

!actually Q32C-Q32NE2 likely take out for now
!assign((segid GB1B and resid 32 and name NE2) or 
!(segid GB1C and resid 32 and name NE2) or 
!(segid GB1D and resid 32 and name NE2) or 
!(segid GB1E and resid 32 and name NE2) or
!(segid GB1B and resid 17 and name N  ) or 
!(segid GB1C and resid 17 and name N  ) or 
!(segid GB1D and resid 17 and name N  ) or 
!(segid GB1E and resid 17 and name N  ))
!(segid GB1A and resid 42 and name C) 3.0 2.0 2.0 !T17N-E42C

assign((segid GB1B and resid 16 and name N) or 
(segid GB1C and resid 16 and name N) or 
(segid GB1D and resid 16 and name N) or 
(segid GB1E and resid 16 and name N) or
(segid GB1B and resid 22 and name N) or 
(segid GB1C and resid 22 and name N) or 
(segid GB1D and resid 22 and name N) or 
(segid GB1E and resid 22 and name N) or
(segid GB1B and resid 32 and name NE2) or 
(segid GB1C and resid 32 and name NE2) or 
(segid GB1D and resid 32 and name NE2) or 
(segid GB1E and resid 32 and name NE2))
((segid GB1A and resid 44 and name CG2) or 
(segid GB1A and resid 29 and name CG1)) 4.0 3.0 3.0 !T16N-T44CG2

assign((segid GB1B and resid 44 and name N) or 
(segid GB1C and resid 44 and name N) or 
(segid GB1D and resid 44 and name N) or 
(segid GB1E and resid 44 and name N))
((segid GB1A and resid 14 and name C) or
(segid GB1A and resid 18 and name C) or
(segid GB1A and resid  1 and name C)) 3.0 2.0 2.0 !T44N-G14C

assign((segid GB1B and resid 44 and name N) or 
(segid GB1C and resid 44 and name N) or 
(segid GB1D and resid 44 and name N) or 
(segid GB1E and resid 44 and name N))
((segid GB1A and resid 7 and name CD1) or
(segid GB1A and resid 13 and name CG ) or
(segid GB1A and resid 12 and name CD1)) 3.0 2.0 2.0 !T44N-L12CD1

assign((segid GB1B and resid 44 and name N) or 
(segid GB1C and resid 44 and name N) or 
(segid GB1D and resid 44 and name N) or 
(segid GB1E and resid 44 and name N))
(segid GB1A and resid 12 and name CD2) 4.0 3.0 3.0 !T44N-L12CD2

assign((segid GB1B and resid 53 and name N) or 
(segid GB1C and resid 53 and name N) or 
(segid GB1D and resid 53 and name N) or 
(segid GB1E and resid 53 and name N) or
(segid GB1B and resid 51 and name N) or 
(segid GB1C and resid 51 and name N) or 
(segid GB1D and resid 51 and name N) or 
(segid GB1E and resid 51 and name N))
(segid GB1A and resid 12 and name CD2) 4.0 3.0 3.0 !T53N-L12CD2

assign((segid GB1B and resid 43 and name N) or 
(segid GB1C and resid 43 and name N) or 
(segid GB1D and resid 43 and name N) or 
(segid GB1E and resid 43 and name N) or 
(segid GB1B and resid  8 and name N) or 
(segid GB1C and resid  8 and name N) or 
(segid GB1D and resid  8 and name N) or 
(segid GB1E and resid  8 and name N))
(segid GB1A and resid 15 and name C) 4.5 3.5 3.5 !W43N-E15C

assign((segid GB1B and resid 43 and name N) or 
(segid GB1C and resid 43 and name N) or 
(segid GB1D and resid 43 and name N) or 
(segid GB1E and resid 43 and name N) or 
(segid GB1B and resid  8 and name N) or 
(segid GB1C and resid  8 and name N) or 
(segid GB1D and resid  8 and name N) or 
(segid GB1E and resid  8 and name N))
((segid GB1A and resid 14 and name C) or
(segid GB1A and resid 18 and name C) or
(segid GB1A and resid  1 and name C)) 3.0 2.0 2.0 !W43N-G14C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N))
((segid GB1A and resid 19 and name C) or
(segid GB1A and resid 25 and name C) or
(segid GB1A and resid 13 and name C) or 
(segid GB1A and resid 49 and name C) or 
(segid GB1A and resid 52 and name C)) 3.0 2.0 2.0 !Y45N-K13C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N))
((segid GB1A and resid 7 and name CD1) or
(segid GB1A and resid 13 and name CG ) or
(segid GB1A and resid 12 and name CD1)) 3.0 2.0 2.0 !Y45N-L12CD1

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N))
(segid GB1A and resid 12 and name CD2) 3.0 2.0 2.0 !Y45N-L12CD2

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N))
(segid GB1A and resid 11 and name CG2) 4.0 3.0 3.0 !Y45N-T11CG2

assign((segid GB1B and resid 31 and name CG) or 
(segid GB1C and resid 31 and name CG) or 
(segid GB1D and resid 31 and name CG) or 
(segid GB1E and resid 31 and name CG) or
(segid GB1B and resid  6 and name CG1) or 
(segid GB1C and resid  6 and name CG1) or 
(segid GB1D and resid  6 and name CG1) or 
(segid GB1E and resid  6 and name CG1))
(segid GB1A and resid 20 and name N) 4.0 3.0 3.0 !A20N-K31CG

assign((segid GB1B and resid 12 and name CA) or 
(segid GB1C and resid 12 and name CA) or 
(segid GB1D and resid 12 and name CA) or 
(segid GB1E and resid 12 and name CA) or
(segid GB1B and resid 47 and name CA) or 
(segid GB1C and resid 47 and name CA) or 
(segid GB1D and resid 47 and name CA) or 
(segid GB1E and resid 47 and name CA) or
(segid GB1B and resid 24 and name CA) or 
(segid GB1C and resid 24 and name CA) or 
(segid GB1D and resid 24 and name CA) or 
(segid GB1E and resid 24 and name CA) or
(segid GB1B and resid 23 and name CA) or 
(segid GB1C and resid 23 and name CA) or 
(segid GB1D and resid 23 and name CA) or 
(segid GB1E and resid 23 and name CA))
((segid GB1A and resid 45 and name N) or 
(segid GB1A and resid 30 and name N) or 
(segid GB1A and resid 42 and name N) or
(segid GB1A and resid 48 and name N)) 3.0 2.0 2.0 !A48N-L12CA

assign((segid GB1B and resid 12 and name CA) or 
(segid GB1C and resid 12 and name CA) or 
(segid GB1D and resid 12 and name CA) or 
(segid GB1E and resid 12 and name CA) or
(segid GB1B and resid 47 and name CA) or 
(segid GB1C and resid 47 and name CA) or 
(segid GB1D and resid 47 and name CA) or 
(segid GB1E and resid 47 and name CA) or
(segid GB1B and resid 24 and name CA) or 
(segid GB1C and resid 24 and name CA) or 
(segid GB1D and resid 24 and name CA) or 
(segid GB1E and resid 24 and name CA) or
(segid GB1B and resid 23 and name CA) or 
(segid GB1C and resid 23 and name CA) or 
(segid GB1D and resid 23 and name CA) or 
(segid GB1E and resid 23 and name CA))
((segid GB1A and resid 46 and name N) or 
(segid GB1A and resid  6 and name N)) 3.0 2.0 2.0 !D46N-L12CA

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG))
((segid GB1A and resid 46 and name N) or 
(segid GB1A and resid  6 and name N)) 3.0 2.0 2.0 !D46N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2))
((segid GB1A and resid 46 and name N) or 
(segid GB1A and resid  6 and name N)) 3.0 2.0 2.0 !D46N-L12CD2

assign((segid GB1B and resid 12 and name CA) or 
(segid GB1C and resid 12 and name CA) or 
(segid GB1D and resid 12 and name CA) or 
(segid GB1E and resid 12 and name CA) or
(segid GB1B and resid 47 and name CA) or 
(segid GB1C and resid 47 and name CA) or 
(segid GB1D and resid 47 and name CA) or 
(segid GB1E and resid 47 and name CA) or
(segid GB1B and resid 24 and name CA) or 
(segid GB1C and resid 24 and name CA) or 
(segid GB1D and resid 24 and name CA) or 
(segid GB1E and resid 24 and name CA) or
(segid GB1B and resid 23 and name CA) or 
(segid GB1C and resid 23 and name CA) or 
(segid GB1D and resid 23 and name CA) or 
(segid GB1E and resid 23 and name CA))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 3.0 2.0 2.0 !D47N-L12CA

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 4.0 3.0 3.0 !D47N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 3.0 2.0 2.0 !D47N-L12CD2

assign((segid GB1B and resid 11 and name C) or 
(segid GB1C and resid 11 and name C) or 
(segid GB1D and resid 11 and name C) or 
(segid GB1E and resid 11 and name C) or
(segid GB1B and resid  9 and name C) or 
(segid GB1C and resid  9 and name C) or 
(segid GB1D and resid  9 and name C) or 
(segid GB1E and resid  9 and name C) or
(segid GB1B and resid  4 and name C) or 
(segid GB1C and resid  4 and name C) or 
(segid GB1D and resid  4 and name C) or 
(segid GB1E and resid  4 and name C))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 3.0 2.0 2.0 !D47N-T11C

assign((segid GB1B and resid 44 and name CG2) or 
(segid GB1C and resid 44 and name CG2) or 
(segid GB1D and resid 44 and name CG2) or 
(segid GB1E and resid 44 and name CG2) or 
(segid GB1B and resid 29 and name CG1) or 
(segid GB1C and resid 29 and name CG1) or 
(segid GB1D and resid 29 and name CG1) or 
(segid GB1E and resid 29 and name CG1))
((segid GB1A and resid 15 and name N) or 
(segid GB1A and resid 32 and name N) or 
(segid GB1A and resid 36 and name N) or 
(segid GB1A and resid 10 and name N)) 
 3.0 2.0 2.0 !E15N-T44CG2

assign((segid GB1B and resid 43 and name C) or 
(segid GB1C and resid 43 and name C) or 
(segid GB1D and resid 43 and name C) or 
(segid GB1E and resid 43 and name C) or 
(segid GB1B and resid 26 and name C) or 
(segid GB1C and resid 26 and name C) or 
(segid GB1D and resid 26 and name C) or 
(segid GB1E and resid 26 and name C))
((segid GB1A and resid 15 and name N) or 
(segid GB1A and resid 32 and name N) or 
(segid GB1A and resid 36 and name N) or 
(segid GB1A and resid 10 and name N)) 
 3.0 2.0 2.0 !E15N-W43C

assign((segid GB1B and resid 14 and name C) or 
(segid GB1C and resid 14 and name C) or 
(segid GB1D and resid 14 and name C) or 
(segid GB1E and resid 14 and name C) or
(segid GB1B and resid 18 and name C) or 
(segid GB1C and resid 18 and name C) or 
(segid GB1D and resid 18 and name C) or 
(segid GB1E and resid 18 and name C) or
(segid GB1B and resid  1 and name C) or 
(segid GB1C and resid  1 and name C) or 
(segid GB1D and resid  1 and name C) or 
(segid GB1E and resid  1 and name C))
((segid GB1A and resid 42 and name N) or
(segid GB1A and resid 45 and name N) or
(segid GB1A and resid 48 and name N) or
(segid GB1A and resid 30 and name N)) 4.5 3.5 3.5 !E42N-G14C

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE))
((segid GB1A and resid 42 and name N) or
(segid GB1A and resid 45 and name N) or
(segid GB1A and resid 48 and name N) or
(segid GB1A and resid 30 and name N)) 4.0 3.0 3.0 !F30N-M1CE

assign((segid GB1B and resid 44 and name CG2) or 
(segid GB1C and resid 44 and name CG2) or 
(segid GB1D and resid 44 and name CG2) or 
(segid GB1E and resid 44 and name CG2) or 
(segid GB1B and resid 29 and name CG1) or 
(segid GB1C and resid 29 and name CG1) or 
(segid GB1D and resid 29 and name CG1) or 
(segid GB1E and resid 29 and name CG1))
(segid GB1A and resid 14 and name N) 3.0 2.0 2.0 !G14N-T44CG2

assign((segid GB1B and resid 43 and name C) or 
(segid GB1C and resid 43 and name C) or 
(segid GB1D and resid 43 and name C) or 
(segid GB1E and resid 43 and name C) or 
(segid GB1B and resid 26 and name C) or 
(segid GB1C and resid 26 and name C) or 
(segid GB1D and resid 26 and name C) or 
(segid GB1E and resid 26 and name C))
(segid GB1A and resid 14 and name N) 3.0 2.0 2.0 !G14N-W43C

assign((segid GB1B and resid 45 and name C) or 
(segid GB1C and resid 45 and name C) or 
(segid GB1D and resid 45 and name C) or 
(segid GB1E and resid 45 and name C) or 
(segid GB1B and resid 16 and name C) or 
(segid GB1C and resid 16 and name C) or 
(segid GB1D and resid 16 and name C) or 
(segid GB1E and resid 16 and name C))
((segid GB1A and resid 13 and name N) or
(segid GB1A and resid 47 and name N)) 3.0 2.0 2.0 !K13N-Y45C

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE))
((segid GB1A and resid 28 and name N) or
(segid GB1A and resid 25 and name N)) 3.0 2.0 2.0 !K28N-M1CE

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE))
(segid GB1A and resid 31 and name N) 3.0 2.0 2.0 !K31N-M1CE

assign((segid GB1B and resid 20 and name C) or 
(segid GB1C and resid 20 and name C) or 
(segid GB1D and resid 20 and name C) or 
(segid GB1E and resid 20 and name C) or 
(segid GB1B and resid 42 and name C) or 
(segid GB1C and resid 42 and name C) or 
(segid GB1D and resid 42 and name C) or 
(segid GB1E and resid 42 and name C) or 
(segid GB1B and resid 32 and name C) or 
(segid GB1C and resid 32 and name C) or 
(segid GB1D and resid 32 and name C) or 
(segid GB1E and resid 32 and name C))
(segid GB1A and resid 31 and name NZ) 4.0 3.0 3.0 !K31NZ-A20C

assign((segid GB1B and resid 20 and name CB) or 
(segid GB1C and resid 20 and name CB) or 
(segid GB1D and resid 20 and name CB) or 
(segid GB1E and resid 20 and name CB))
(segid GB1A and resid 31 and name NZ) 4.5 3.5 3.5 !K31NZ-A20CB

assign((segid GB1B and resid 1 and name CB) or 
(segid GB1C and resid 1 and name CB) or 
(segid GB1D and resid 1 and name CB) or 
(segid GB1E and resid 1 and name CB))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-M1CB

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-M1CE

assign((segid GB1B and resid 21 and name C) or 
(segid GB1C and resid 21 and name C) or 
(segid GB1D and resid 21 and name C) or 
(segid GB1E and resid 21 and name C) or 
(segid GB1B and resid  3 and name C) or 
(segid GB1C and resid  3 and name C) or 
(segid GB1D and resid  3 and name C) or 
(segid GB1E and resid  3 and name C) or 
(segid GB1B and resid  2 and name C) or 
(segid GB1C and resid  2 and name C) or 
(segid GB1D and resid  2 and name C) or 
(segid GB1E and resid  2 and name C) or 
(segid GB1B and resid 40 and name C) or 
(segid GB1C and resid 40 and name C) or 
(segid GB1D and resid 40 and name C) or 
(segid GB1E and resid 40 and name C))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-V21C

assign((segid GB1B and resid 21 and name CG1) or 
(segid GB1C and resid 21 and name CG1) or 
(segid GB1D and resid 21 and name CG1) or 
(segid GB1E and resid 21 and name CG1))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-V21CG1

assign((segid GB1B and resid 48 and name CB) or 
(segid GB1C and resid 48 and name CB) or 
(segid GB1D and resid 48 and name CB) or 
(segid GB1E and resid 48 and name CB))
(segid GB1A and resid 12 and name N) 3.0 2.0 2.0 !L12N-A48CB

assign((segid GB1B and resid 45 and name C) or 
(segid GB1C and resid 45 and name C) or 
(segid GB1D and resid 45 and name C) or 
(segid GB1E and resid 45 and name C) or 
(segid GB1B and resid 16 and name C) or 
(segid GB1C and resid 16 and name C) or 
(segid GB1D and resid 16 and name C) or 
(segid GB1E and resid 16 and name C))
(segid GB1A and resid 12 and name N) 3.0 2.0 2.0 !L12N-Y45C

assign((segid GB1B and resid 24 and name CB) or 
(segid GB1C and resid 24 and name CB) or 
(segid GB1D and resid 24 and name CB) or 
(segid GB1E and resid 24 and name CB) or
(segid GB1B and resid 23 and name CB) or 
(segid GB1C and resid 23 and name CB) or 
(segid GB1D and resid 23 and name CB) or 
(segid GB1E and resid 23 and name CB))
(segid GB1A and resid 1 and name N) 4.5 3.5 3.5 !M1N-A24CB

assign((segid GB1B and resid 27 and name CD) or 
(segid GB1C and resid 27 and name CD) or 
(segid GB1D and resid 27 and name CD) or 
(segid GB1E and resid 27 and name CD))
(segid GB1A and resid 1 and name N) 3.0 2.0 2.0 !M1N-E27CD

assign((segid GB1B and resid 24 and name CB) or 
(segid GB1C and resid 24 and name CB) or 
(segid GB1D and resid 24 and name CB) or 
(segid GB1E and resid 24 and name CB) or
(segid GB1B and resid 23 and name CB) or 
(segid GB1C and resid 23 and name CB) or 
(segid GB1D and resid 23 and name CB) or 
(segid GB1E and resid 23 and name CB))
((segid GB1A and resid 2 and name N) or
(segid GB1A and resid 19 and name N)) 4.5 3.5 3.5 !Q2N-A24CB

assign((segid GB1B and resid 48 and name CB) or 
(segid GB1C and resid 48 and name CB) or 
(segid GB1D and resid 48 and name CB) or 
(segid GB1E and resid 48 and name CB))
(segid GB1A and resid 11 and name N) 4.0 3.0 3.0 !T11N-A48CB

!assign((segid GB1B and resid 42 and name C) or 
!(segid GB1C and resid 42 and name C) or 
!(segid GB1D and resid 42 and name C) or 
!(segid GB1E and resid 42 and name C))
!(segid GB1A and resid 16 and name N) 3.0 2.0 2.0 !T16N-E42C

assign((segid GB1B and resid 44 and name CG2) or 
(segid GB1C and resid 44 and name CG2) or 
(segid GB1D and resid 44 and name CG2) or 
(segid GB1E and resid 44 and name CG2) or 
(segid GB1B and resid 29 and name CG1) or 
(segid GB1C and resid 29 and name CG1) or 
(segid GB1D and resid 29 and name CG1) or 
(segid GB1E and resid 29 and name CG1))
((segid GB1A and resid 16 and name N) or 
(segid GB1A and resid 22 and name N) or 
(segid GB1A and resid 32 and name NE2)) 4.0 3.0 3.0 !T16N-T44CG2

assign((segid GB1B and resid 14 and name C) or 
(segid GB1C and resid 14 and name C) or 
(segid GB1D and resid 14 and name C) or 
(segid GB1E and resid 14 and name C) or
(segid GB1B and resid 18 and name C) or 
(segid GB1C and resid 18 and name C) or 
(segid GB1D and resid 18 and name C) or 
(segid GB1E and resid 18 and name C) or
(segid GB1B and resid  1 and name C) or 
(segid GB1C and resid  1 and name C) or 
(segid GB1D and resid  1 and name C) or 
(segid GB1E and resid  1 and name C))
(segid GB1A and resid 44 and name N) 3.0 2.0 2.0 !T44N-G14C

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG))
(segid GB1A and resid 44 and name N) 3.0 2.0 2.0 !T44N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2))
(segid GB1A and resid 44 and name N) 4.0 3.0 3.0 !T44N-L12CD2

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2))
((segid GB1A and resid 53 and name N) or 
(segid GB1A and resid 51 and name N)) 4.0 3.0 3.0 !T53N-L12CD2

assign((segid GB1B and resid 15 and name C) or 
(segid GB1C and resid 15 and name C) or 
(segid GB1D and resid 15 and name C) or 
(segid GB1E and resid 15 and name C))
((segid GB1A and resid 43 and name N) or
(segid GB1A and resid  8 and name N)) 4.5 3.5 3.5 !W43N-E15C

assign((segid GB1B and resid 14 and name C) or 
(segid GB1C and resid 14 and name C) or 
(segid GB1D and resid 14 and name C) or 
(segid GB1E and resid 14 and name C) or
(segid GB1B and resid 18 and name C) or 
(segid GB1C and resid 18 and name C) or 
(segid GB1D and resid 18 and name C) or 
(segid GB1E and resid 18 and name C) or
(segid GB1B and resid  1 and name C) or 
(segid GB1C and resid  1 and name C) or 
(segid GB1D and resid  1 and name C) or 
(segid GB1E and resid  1 and name C))
((segid GB1A and resid 43 and name N) or
(segid GB1A and resid  8 and name N)) 3.0 2.0 2.0 !W43N-G14C

assign((segid GB1B and resid 13 and name C) or 
(segid GB1C and resid 13 and name C) or 
(segid GB1D and resid 13 and name C) or 
(segid GB1E and resid 13 and name C))
(segid GB1A and resid 45 and name N) 3.0 2.0 2.0 !Y45N-K13C

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 3.0 2.0 2.0 !Y45N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 3.0 2.0 2.0 !Y45N-L12CD2

assign((segid GB1B and resid 11 and name CG2) or 
(segid GB1C and resid 11 and name CG2) or 
(segid GB1D and resid 11 and name CG2) or 
(segid GB1E and resid 11 and name CG2))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 4.0 3.0 3.0 !Y45N-T11CG2

assign((segid GB1B and resid 11 and name CG2) or 
(segid GB1C and resid 11 and name CG2) or 
(segid GB1D and resid 11 and name CG2) or 
(segid GB1E and resid 11 and name CG2))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 4.0 3.0 3.0 !Y45N-T11CG2


!Additional torsion angle constraints on Gly

! Glycines are in the VEAN category now
! "safe" means only those with 10 out of 10 hits are retained with normal error bars
!  9 out of 10 hits -> double error bars
!  8 out of 10 hits or less -> remove

!022309  added segid's so would work with multiple GB1 molecules

! 1. Q 2 Phi -109.00 +/- 17.00 (-126.00 to -92.00)

assign (segid "GB1A" and resid   1 and name  C)
       (segid "GB1A" and resid   2 and name  N) 
       (segid "GB1A" and resid   2 and name CA)
       (segid "GB1A" and resid   2 and name  C) 1.0  -109.00    17.00 2

! 2. Y 3 Phi -130.00 +/- 14.00 (-144.00 to -116.00)

assign (segid "GB1A" and resid   2 and name  C)
       (segid "GB1A" and resid   3 and name  N) 
       (segid "GB1A" and resid   3 and name CA)
       (segid "GB1A" and resid   3 and name  C) 1.0  -130.00    14.00 2

! 3. K 4 Phi -137.00 +/- 17.00 (-154.00 to -120.00)

assign (segid "GB1A" and resid   3 and name  C)
       (segid "GB1A" and resid   4 and name  N) 
       (segid "GB1A" and resid   4 and name CA)
       (segid "GB1A" and resid   4 and name  C) 1.0  -137.00    17.00 2

! 4. L 5 Phi -115.00 +/- 16.00 (-131.00 to -99.00)

assign (segid "GB1A" and resid   4 and name  C)
       (segid "GB1A" and resid   5 and name  N) 
       (segid "GB1A" and resid   5 and name CA)
       (segid "GB1A" and resid   5 and name  C) 1.0  -115.00    16.00 2

! 5. I 6 Phi -108.00 +/- 6.00 (-114.00 to -102.00)

assign (segid "GB1A" and resid   5 and name  C)
       (segid "GB1A" and resid   6 and name  N) 
       (segid "GB1A" and resid   6 and name CA)
       (segid "GB1A" and resid   6 and name  C) 1.0  -108.00     6.00 2

! 6. L 7 Phi -103.00 +/- 9.00 (-112.00 to -94.00)

assign (segid "GB1A" and resid   6 and name  C)
       (segid "GB1A" and resid   7 and name  N) 
       (segid "GB1A" and resid   7 and name CA)
       (segid "GB1A" and resid   7 and name  C) 1.0  -103.00     9.00 2

! 7. N 8 Phi -100.00 +/- 17.00 (-117.00 to -83.00)
! 9 out of 10 good hits; beware
assign (segid "GB1A" and resid   7 and name  C)
       (segid "GB1A" and resid   8 and name  N) 
       (segid "GB1A" and resid   8 and name CA)
       (segid "GB1A" and resid   8 and name  C) 1.0  -100.00    34.00 2 ! double error 17.00 2

! G9 phi missing (-85?13, but only 4 out of 10 hits)
! K10 phi missing (-68?6, but only 5 out of 10 hits)

! 8. T 11 Phi -94.00 +/- 17.00 (-111.00 to -77.00)
!9 out of 10 good hits; beware
assign (segid "GB1A" and resid  10 and name  C)
       (segid "GB1A" and resid  11 and name  N) 
       (segid "GB1A" and resid  11 and name CA)
       (segid "GB1A" and resid  11 and name  C) 1.0   -94.00    34.0 2 ! double error 17.00 2

! 9. L 12 Phi -113.00 +/- 25.00 (-138.00 to -88.00)

assign (segid "GB1A" and resid  11 and name  C)
       (segid "GB1A" and resid  12 and name  N) 
       (segid "GB1A" and resid  12 and name CA)
       (segid "GB1A" and resid  12 and name  C) 1.0  -113.00    25.00 2

! 10. K 13 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1A" and resid  12 and name  C)
       (segid "GB1A" and resid  13 and name  N) 
       (segid "GB1A" and resid  13 and name CA)
       (segid "GB1A" and resid  13 and name  C) 1.0  -134.00    10.00 2

! 11. G 14 Phi -153.00 +/- 15.00 (-168.00 to -138.00)
! ambiguous
assign (segid "GB1A" and resid  13 and name  C)
       (segid "GB1A" and resid  14 and name  N) 
       (segid "GB1A" and resid  14 and name CA)
       (segid "GB1A" and resid  14 and name  C) 1.0  -153.00    32.00 2 ! double error 16.00 2

! 12. E 15 Phi -129.00 +/- 12.00 (-141.00 to -117.00)

assign (segid "GB1A" and resid  14 and name  C)
       (segid "GB1A" and resid  15 and name  N) 
       (segid "GB1A" and resid  15 and name CA)
       (segid "GB1A" and resid  15 and name  C) 1.0  -129.00    12.00 2

! 13. T 16 Phi -125.00 +/- 21.00 (-146.00 to -104.00)

assign (segid "GB1A" and resid  15 and name  C)
       (segid "GB1A" and resid  16 and name  N) 
       (segid "GB1A" and resid  16 and name CA)
       (segid "GB1A" and resid  16 and name  C) 1.0  -125.00    21.00 2

! 14. T 17 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1A" and resid  16 and name  C)
       (segid "GB1A" and resid  17 and name  N) 
       (segid "GB1A" and resid  17 and name CA)
       (segid "GB1A" and resid  17 and name  C) 1.0  -134.00    10.00 2

! 15. T 18 Phi -130.00 +/- 25.00 (-155.00 to -105.00)

assign (segid "GB1A" and resid  17 and name  C)
       (segid "GB1A" and resid  18 and name  N) 
       (segid "GB1A" and resid  18 and name CA)
       (segid "GB1A" and resid  18 and name  C) 1.0  -130.00    25.00 2

! 16. E 19 Phi -117.00 +/- 10.00 (-127.00 to -107.00)

assign (segid "GB1A" and resid  18 and name  C)
       (segid "GB1A" and resid  19 and name  N) 
       (segid "GB1A" and resid  19 and name CA)
       (segid "GB1A" and resid  19 and name  C) 1.0  -117.00    10.00 2

! 17. A 20 Phi -124.00 +/- 28.00 (-152.00 to -96.00)

assign (segid "GB1A" and resid  19 and name  C)
       (segid "GB1A" and resid  20 and name  N) 
       (segid "GB1A" and resid  20 and name CA)
       (segid "GB1A" and resid  20 and name  C) 1.0  -124.00    28.00 2

!V21 -82?13 but only 6 out of 10 hits, so leave out
!D22 -130?21 but only 7 out of 10 hits, so leave out

! 18. A 23 Phi -63.00 +/- 10.00 (-73.00 to -53.00)

assign (segid "GB1A" and resid  22 and name  C)
       (segid "GB1A" and resid  23 and name  N) 
       (segid "GB1A" and resid  23 and name CA)
       (segid "GB1A" and resid  23 and name  C) 1.0   -63.00    10.00 2

! 19. A 24 Phi -65.00 +/- 6.00 (-71.00 to -59.00)

assign (segid "GB1A" and resid  23 and name  C)
       (segid "GB1A" and resid  24 and name  N) 
       (segid "GB1A" and resid  24 and name CA)
       (segid "GB1A" and resid  24 and name  C) 1.0   -65.00     6.00 2

! 20. T 25 Phi -66.00 +/- 9.00 (-75.00 to -57.00)

assign (segid "GB1A" and resid  24 and name  C)
       (segid "GB1A" and resid  25 and name  N) 
       (segid "GB1A" and resid  25 and name CA)
       (segid "GB1A" and resid  25 and name  C) 1.0   -66.00     9.00 2

! 21. A 26 Phi -62.00 +/- 5.00 (-67.00 to -57.00)

assign (segid "GB1A" and resid  25 and name  C)
       (segid "GB1A" and resid  26 and name  N) 
       (segid "GB1A" and resid  26 and name CA)
       (segid "GB1A" and resid  26 and name  C) 1.0   -62.00     5.00 2

! 22. E 27 Phi -66.00 +/- 8.00 (-74.00 to -58.00)
assign (segid "GB1A" and resid  26 and name  C)
       (segid "GB1A" and resid  27 and name  N) 
       (segid "GB1A" and resid  27 and name CA)
       (segid "GB1A" and resid  27 and name  C) 1.0   -66.00     8.00 2 

! 23. K 28 Phi -65.00 +/- 4.00 (-69.00 to -61.00)

assign (segid "GB1A" and resid  27 and name  C)
       (segid "GB1A" and resid  28 and name  N) 
       (segid "GB1A" and resid  28 and name CA)
       (segid "GB1A" and resid  28 and name  C) 1.0   -65.00     5.00 2

! 24. V 29 Phi -64.00 +/- 4.00 (-68.00 to -60.00)

assign (segid "GB1A" and resid  28 and name  C)
       (segid "GB1A" and resid  29 and name  N) 
       (segid "GB1A" and resid  29 and name CA)
       (segid "GB1A" and resid  29 and name  C) 1.0   -64.00     5.00 2  !min error bar 5 deg.

! 25. F 30 Phi -67.00 +/- 4.00 (-71.00 to -63.00)

assign (segid "GB1A" and resid  29 and name  C)
       (segid "GB1A" and resid  30 and name  N) 
       (segid "GB1A" and resid  30 and name CA)
       (segid "GB1A" and resid  30 and name  C) 1.0   -67.00     5.00 2  !min error bar 5 deg.

! 26. K 31 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1A" and resid  30 and name  C)
       (segid "GB1A" and resid  31 and name  N) 
       (segid "GB1A" and resid  31 and name CA)
       (segid "GB1A" and resid  31 and name  C) 1.0   -66.00     7.00 2

! 27. Q 32 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1A" and resid  31 and name  C)
       (segid "GB1A" and resid  32 and name  N) 
       (segid "GB1A" and resid  32 and name CA)
       (segid "GB1A" and resid  32 and name  C) 1.0   -66.00     7.00 2

! 28. Y 33 Phi -67.00 +/- 5.00 (-72.00 to -62.00)

assign (segid "GB1A" and resid  32 and name  C)
       (segid "GB1A" and resid  33 and name  N) 
       (segid "GB1A" and resid  33 and name CA)
       (segid "GB1A" and resid  33 and name  C) 1.0   -67.00     5.00 2

! 29. A 34 Phi -66.00 +/- 5.00 (-71.00 to -61.00)

assign (segid "GB1A" and resid  33 and name  C)
       (segid "GB1A" and resid  34 and name  N) 
       (segid "GB1A" and resid  34 and name CA)
       (segid "GB1A" and resid  34 and name  C) 1.0   -66.00     5.00 2

! 30. N 35 Phi -64.00 +/- 7.00 (-71.00 to -57.00)

assign (segid "GB1A" and resid  34 and name  C)
       (segid "GB1A" and resid  35 and name  N) 
       (segid "GB1A" and resid  35 and name CA)
       (segid "GB1A" and resid  35 and name  C) 1.0   -64.00     7.00 2

! 31. D 36 Phi -61.00 +/- 5.00 (-66.00 to -56.00)

assign (segid "GB1A" and resid  35 and name  C)
       (segid "GB1A" and resid  36 and name  N) 
       (segid "GB1A" and resid  36 and name CA)
       (segid "GB1A" and resid  36 and name  C) 1.0   -61.00     5.00 2

! 32. N 37 Phi -102.00 +/- 16.00 (-118.00 to -86.00)
!9 out of 10 hits, beware
assign (segid "GB1A" and resid  36 and name  C)
       (segid "GB1A" and resid  37 and name  N) 
       (segid "GB1A" and resid  37 and name CA)
       (segid "GB1A" and resid  37 and name  C) 1.0  -102.00    32.0 2  !double error 16.00 2

! 33. G 38 Phi 83.00 +/- 11.00 (72.00 to 94.00)
!8 out of 10 hits, beware !remove
!assign (segid "GB1A" and resid  37 and name  C)
!       (segid "GB1A" and resid  38 and name  N) 
!       (segid "GB1A" and resid  38 and name CA)
!       (segid "GB1A" and resid  38 and name  C) 1.0    83.00    11.00 2

! 34. V 39 Phi -101.00 +/- 20.00 (-121.00 to -81.00)

assign (segid "GB1A" and resid  38 and name  C)
       (segid "GB1A" and resid  39 and name  N) 
       (segid "GB1A" and resid  39 and name CA)
       (segid "GB1A" and resid  39 and name  C) 1.0  -101.00    20.00 2

! 35. D 40 Phi -98.00 +/- 27.00 (-125.00 to -71.00)

assign (segid "GB1A" and resid  39 and name  C)
       (segid "GB1A" and resid  40 and name  N) 
       (segid "GB1A" and resid  40 and name CA)
       (segid "GB1A" and resid  40 and name  C) 1.0   -98.00    27.00 2

!061107 insert G41 -180?51
!8 out of 10 hits, beware 
!assign (segid "GB1A" and resid  40 and name  C)
!       (segid "GB1A" and resid  41 and name  N) 
!       (segid "GB1A" and resid  41 and name CA)
!       (segid "GB1A" and resid  41 and name  C) 1.0   -180.00    51.00 2

! 36. E 42 Phi -98.00 +/- 22.00 (-120.00 to -76.00)

assign (segid "GB1A" and resid  41 and name  C)
       (segid "GB1A" and resid  42 and name  N) 
       (segid "GB1A" and resid  42 and name CA)
       (segid "GB1A" and resid  42 and name  C) 1.0   -98.00    22.00 2

! 37. W 43 Phi -122.00 +/- 16.00 (-138.00 to -106.00)
! 9 out of 10 hits, beware
assign (segid "GB1A" and resid  42 and name  C)
       (segid "GB1A" and resid  43 and name  N) 
       (segid "GB1A" and resid  43 and name CA)
       (segid "GB1A" and resid  43 and name  C) 1.0  -122.00    32.00 2 ! double error 16.00 2

! 38. T 44 Phi -133.00 +/- 23.00 (-156.00 to -110.00)

assign (segid "GB1A" and resid  43 and name  C)
       (segid "GB1A" and resid  44 and name  N) 
       (segid "GB1A" and resid  44 and name CA)
       (segid "GB1A" and resid  44 and name  C) 1.0  -133.00    23.00 2

! 39. Y 45 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
!9 out of 10, beware
assign (segid "GB1A" and resid  44 and name  C)
       (segid "GB1A" and resid  45 and name  N) 
       (segid "GB1A" and resid  45 and name CA)
       (segid "GB1A" and resid  45 and name  C) 1.0  -119.00    56.0 2 !double 28.00 2

! 40. D 46 Phi -105.00 +/- 18.00 (-123.00 to -87.00)

assign (segid "GB1A" and resid  45 and name  C)
       (segid "GB1A" and resid  46 and name  N) 
       (segid "GB1A" and resid  46 and name CA)
       (segid "GB1A" and resid  46 and name  C) 1.0  -105.00    18.00 2

!061107 insert D47 -88?22
!warning, 7 out of 10
!assign (segid "GB1A" and resid  46 and name  C)
!       (segid "GB1A" and resid  47 and name  N) 
!       (segid "GB1A" and resid  47 and name CA)
!       (segid "GB1A" and resid  47 and name  C) 1.0   -88.00    22.00 2

! 41. A 48 Phi -66.00 +/- 13.00 (-79.00 to -53.00)

assign (segid "GB1A" and resid  47 and name  C)
       (segid "GB1A" and resid  48 and name  N) 
       (segid "GB1A" and resid  48 and name CA)
       (segid "GB1A" and resid  48 and name  C) 1.0   -66.00    13.00 2

! 42. T 49 Phi -110.00 +/- 9.00 (-119.00 to -101.00)

assign (segid "GB1A" and resid  48 and name  C)
       (segid "GB1A" and resid  49 and name  N) 
       (segid "GB1A" and resid  49 and name CA)
       (segid "GB1A" and resid  49 and name  C) 1.0  -110.00     18 2 !061407 9.00 2

!K50, 5 out of 10, 58?4

! 43. T 51 Phi -105.00 +/- 43.00 (-148.00 to -62.00)
! 9 out of 10, beware 
assign (segid "GB1A" and resid  50 and name  C)
       (segid "GB1A" and resid  51 and name  N) 
       (segid "GB1A" and resid  51 and name CA)
       (segid "GB1A" and resid  51 and name  C) 1.0  -105.00    86.00 2

! 44. F 52 Phi -121.00 +/- 13.00 (-134.00 to -108.00)

assign (segid "GB1A" and resid  51 and name  C)
       (segid "GB1A" and resid  52 and name  N) 
       (segid "GB1A" and resid  52 and name CA)
       (segid "GB1A" and resid  52 and name  C) 1.0  -121.00    13.00 2

! 45. T 53 Phi -133.00 +/- 11.00 (-144.00 to -122.00)
! 9 out of 10, beware
assign (segid "GB1A" and resid  52 and name  C)
       (segid "GB1A" and resid  53 and name  N) 
       (segid "GB1A" and resid  53 and name CA)
       (segid "GB1A" and resid  53 and name  C) 1.0  -133.00    22.00 2

! 46. V 54 Phi -131.00 +/- 16.00 (-147.00 to -115.00)

assign (segid "GB1A" and resid  53 and name  C)
       (segid "GB1A" and resid  54 and name  N) 
       (segid "GB1A" and resid  54 and name CA)
       (segid "GB1A" and resid  54 and name  C) 1.0  -131.00    16.00 2

! 47. T 55 Phi -110.00 +/- 14.00 (-124.00 to -96.00)

assign (segid "GB1A" and resid  54 and name  C)
       (segid "GB1A" and resid  55 and name  N) 
       (segid "GB1A" and resid  55 and name CA)
       (segid "GB1A" and resid  55 and name  C) 1.0  -110.00    14.00 2


! 48. Q 2 Psi 136.00 +/- 13.00 (123.00 to 149.00)

assign (segid "GB1A" and resid   2 and name  N)
       (segid "GB1A" and resid   2 and name CA) 
       (segid "GB1A" and resid   2 and name  C)
       (segid "GB1A" and resid   3 and name  N) 1.0   136.00    13.00 2

! 49. Y 3 Psi 153.00 +/- 15.00 (138.00 to 168.00)

assign (segid "GB1A" and resid   3 and name  N)
       (segid "GB1A" and resid   3 and name CA) 
       (segid "GB1A" and resid   3 and name  C)
       (segid "GB1A" and resid   4 and name  N) 1.0   153.00    15.00 2

! 50. K 4 Psi 136.00 +/- 7.00 (129.00 to 143.00)

assign (segid "GB1A" and resid   4 and name  N)
       (segid "GB1A" and resid   4 and name CA) 
       (segid "GB1A" and resid   4 and name  C)
       (segid "GB1A" and resid   5 and name  N) 1.0   136.00     7.00 2

! 51. L 5 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1A" and resid   5 and name  N)
       (segid "GB1A" and resid   5 and name CA) 
       (segid "GB1A" and resid   5 and name  C)
       (segid "GB1A" and resid   6 and name  N) 1.0   122.00    16.00 2

! 52. I 6 Psi 120.00 +/- 12.00 (108.00 to 132.00)

assign (segid "GB1A" and resid   6 and name  N)
       (segid "GB1A" and resid   6 and name CA) 
       (segid "GB1A" and resid   6 and name  C)
       (segid "GB1A" and resid   7 and name  N) 1.0   120.00    12.00 2

! 53. L 7 Psi 119.00 +/- 11.00 (108.00 to 130.00)

assign (segid "GB1A" and resid   7 and name  N)
       (segid "GB1A" and resid   7 and name CA) 
       (segid "GB1A" and resid   7 and name  C)
       (segid "GB1A" and resid   8 and name  N) 1.0   119.00    11.00 2

! 54. N 8 Psi 142.00 +/- 26.00 (116.00 to 168.00)
!beware, 9 out of 10
assign (segid "GB1A" and resid   8 and name  N)
       (segid "GB1A" and resid   8 and name CA) 
       (segid "GB1A" and resid   8 and name  C)
       (segid "GB1A" and resid   9 and name  N) 1.0   142.00    52.0 2 !double  26.00 2

!G9 psi, 136?29, but only 4 out of 10
!K10 psi, 134+15, but only 5 out of 10

! 55. T 11 Psi -6.00 +/- 14.00 (-20.00 to 8.00)
!beware, 9 out of 10
assign (segid "GB1A" and resid  11 and name  N)
       (segid "GB1A" and resid  11 and name CA) 
       (segid "GB1A" and resid  11 and name  C)
       (segid "GB1A" and resid  12 and name  N) 1.0    -6.00    28.0 2 ! 14.00 2

! 56. L 12 Psi 124.00 +/- 27.00 (97.00 to 151.00)

assign (segid "GB1A" and resid  12 and name  N)
       (segid "GB1A" and resid  12 and name CA) 
       (segid "GB1A" and resid  12 and name  C)
       (segid "GB1A" and resid  13 and name  N) 1.0   124.00    27.00 2

! 57. K 13 Psi 156.00 +/- 16.00 (140.00 to 172.00)

assign (segid "GB1A" and resid  13 and name  N)
       (segid "GB1A" and resid  13 and name CA) 
       (segid "GB1A" and resid  13 and name  C)
       (segid "GB1A" and resid  14 and name  N) 1.0   156.00    16.00 2

! 58. G 14 Psi 159.00 +/- 23.00 (136.00 to 182.00)
! beware
assign (segid "GB1A" and resid  14 and name  N)
       (segid "GB1A" and resid  14 and name CA) 
       (segid "GB1A" and resid  14 and name  C)
       (segid "GB1A" and resid  15 and name  N) 1.0   159.00    46.00 2 ! double error 23.00 2

! 59. E 15 Psi 151.00 +/- 12.00 (139.00 to 163.00)

assign (segid "GB1A" and resid  15 and name  N)
       (segid "GB1A" and resid  15 and name CA) 
       (segid "GB1A" and resid  15 and name  C)
       (segid "GB1A" and resid  16 and name  N) 1.0   151.00    12.00 2

! 60. T 16 Psi 153.00 +/- 23.00 (130.00 to 176.00)

assign (segid "GB1A" and resid  16 and name  N)
       (segid "GB1A" and resid  16 and name CA) 
       (segid "GB1A" and resid  16 and name  C)
       (segid "GB1A" and resid  17 and name  N) 1.0   153.00    23.00 2

! 61. T 17 Psi 152.00 +/- 20.00 (132.00 to 172.00)

assign (segid "GB1A" and resid  17 and name  N)
       (segid "GB1A" and resid  17 and name CA) 
       (segid "GB1A" and resid  17 and name  C)
       (segid "GB1A" and resid  18 and name  N) 1.0   152.00    20.00 2

! 62. T 18 Psi 137.00 +/- 14.00 (123.00 to 151.00)

assign (segid "GB1A" and resid  18 and name  N)
       (segid "GB1A" and resid  18 and name CA) 
       (segid "GB1A" and resid  18 and name  C)
       (segid "GB1A" and resid  19 and name  N) 1.0   137.00    14.00 2

! 63. E 19 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1A" and resid  19 and name  N)
       (segid "GB1A" and resid  19 and name CA) 
       (segid "GB1A" and resid  19 and name  C)
       (segid "GB1A" and resid  20 and name  N) 1.0   122.00    16.00 2

! 64. A 20 Psi 160.00 +/- 16.00 (144.00 to 176.00)

assign (segid "GB1A" and resid  20 and name  N)
       (segid "GB1A" and resid  20 and name CA) 
       (segid "GB1A" and resid  20 and name  C)
       (segid "GB1A" and resid  21 and name  N) 1.0   160.00    16.00 2

!V21 psi -17?17, 6 out of 10
!D22 psi 156?25, 7 out of 10

! 65. A 23 Psi -35.00 +/- 11.00 (-46.00 to -24.00)

assign (segid "GB1A" and resid  23 and name  N)
       (segid "GB1A" and resid  23 and name CA) 
       (segid "GB1A" and resid  23 and name  C)
       (segid "GB1A" and resid  24 and name  N) 1.0   -35.00    11.00 2

! 66. A 24 Psi -38.00 +/- 7.00 (-45.00 to -31.00)

assign (segid "GB1A" and resid  24 and name  N)
       (segid "GB1A" and resid  24 and name CA) 
       (segid "GB1A" and resid  24 and name  C)
       (segid "GB1A" and resid  25 and name  N) 1.0   -38.00     7.00 2

! 67. T 25 Psi -38.00 +/- 8.00 (-46.00 to -30.00)

assign (segid "GB1A" and resid  25 and name  N)
       (segid "GB1A" and resid  25 and name CA) 
       (segid "GB1A" and resid  25 and name  C)
       (segid "GB1A" and resid  26 and name  N) 1.0   -38.00     8.00 2

! 68. A 26 Psi -41.00 +/- 3.00 (-44.00 to -38.00)

assign (segid "GB1A" and resid  26 and name  N)
       (segid "GB1A" and resid  26 and name CA) 
       (segid "GB1A" and resid  26 and name  C)
       (segid "GB1A" and resid  27 and name  N) 1.0   -41.00     5.0 2 !min. 5 deg. error

! 69. E 27 Psi -37.00 +/- 17.00 (-54.00 to -20.00)
assign (segid "GB1A" and resid  27 and name  N)
       (segid "GB1A" and resid  27 and name CA) 
       (segid "GB1A" and resid  27 and name  C)
       (segid "GB1A" and resid  28 and name  N) 1.0   -37.00    17.00 2 

! 70. K 28 Psi -41.00 +/- 5.00 (-46.00 to -36.00)

assign (segid "GB1A" and resid  28 and name  N)
       (segid "GB1A" and resid  28 and name CA) 
       (segid "GB1A" and resid  28 and name  C)
       (segid "GB1A" and resid  29 and name  N) 1.0   -41.00    5.0 2 

! 71. V 29 Psi -46.00 +/- 4.00 (-50.00 to -42.00)

assign (segid "GB1A" and resid  29 and name  N)
       (segid "GB1A" and resid  29 and name CA) 
       (segid "GB1A" and resid  29 and name  C)
       (segid "GB1A" and resid  30 and name  N) 1.0   -46.00    5.0 2 !min 5 deg. error

! 72. F 30 Psi -35.00 +/- 7.00 (-42.00 to -28.00)

assign (segid "GB1A" and resid  30 and name  N)
       (segid "GB1A" and resid  30 and name CA) 
       (segid "GB1A" and resid  30 and name  C)
       (segid "GB1A" and resid  31 and name  N) 1.0   -35.00     7.00 2

! 73. K 31 Psi -41.00 +/- 10.00 (-51.00 to -31.00)

assign (segid "GB1A" and resid  31 and name  N)
       (segid "GB1A" and resid  31 and name CA) 
       (segid "GB1A" and resid  31 and name  C)
       (segid "GB1A" and resid  32 and name  N) 1.0   -41.00    10.00 2

! 74. Q 32 Psi -43.00 +/- 9.00 (-52.00 to -34.00)

assign (segid "GB1A" and resid  32 and name  N)
       (segid "GB1A" and resid  32 and name CA) 
       (segid "GB1A" and resid  32 and name  C)
       (segid "GB1A" and resid  33 and name  N) 1.0   -43.00     9.00 2

! 75. Y 33 Psi -37.00 +/- 9.00 (-46.00 to -28.00)

assign (segid "GB1A" and resid  33 and name  N)
       (segid "GB1A" and resid  33 and name CA) 
       (segid "GB1A" and resid  33 and name  C)
       (segid "GB1A" and resid  34 and name  N) 1.0   -37.00     9.00 2

! 76. A 34 Psi -42.00 +/- 4.00 (-46.00 to -38.00)

assign (segid "GB1A" and resid  34 and name  N)
       (segid "GB1A" and resid  34 and name CA) 
       (segid "GB1A" and resid  34 and name  C)
       (segid "GB1A" and resid  35 and name  N) 1.0   -42.00    5.0 2 !min 5 deg. error

! 77. N 35 Psi -37.00 +/- 11.00 (-48.00 to -26.00)

assign (segid "GB1A" and resid  35 and name  N)
       (segid "GB1A" and resid  35 and name CA) 
       (segid "GB1A" and resid  35 and name  C)
       (segid "GB1A" and resid  36 and name  N) 1.0   -37.00    11.00 2

! 78. D 36 Psi -31.00 +/- 8.00 (-39.00 to -23.00)

assign (segid "GB1A" and resid  36 and name  N)
       (segid "GB1A" and resid  36 and name CA) 
       (segid "GB1A" and resid  36 and name  C)
       (segid "GB1A" and resid  37 and name  N) 1.0   -31.00     8.00 2

! 79. N 37 Psi 8.00 +/- 16.00 (-8.00 to 24.00)
!beware, 9 out of 10
assign (segid "GB1A" and resid  37 and name  N)
       (segid "GB1A" and resid  37 and name CA) 
       (segid "GB1A" and resid  37 and name  C)
       (segid "GB1A" and resid  38 and name  N) 1.0     8.00    32.0 2 !double 16.00 2

! 80. G 38 Psi 14.00 +/- 9.00 (5.00 to 23.00)
!beware, 8 out of 10
!assign (segid "GB1A" and resid  38 and name  N)
!       (segid "GB1A" and resid  38 and name CA) 
!       (segid "GB1A" and resid  38 and name  C)
!       (segid "GB1A" and resid  39 and name  N) 1.0    14.00     9.00 2!

! 81. V 39 Psi 125.00 +/- 15.00 (110.00 to 140.00)

assign (segid "GB1A" and resid  39 and name  N)
       (segid "GB1A" and resid  39 and name CA) 
       (segid "GB1A" and resid  39 and name  C)
       (segid "GB1A" and resid  40 and name  N) 1.0   125.00    15.00 2

! 82. D 40 Psi 139.00 +/- 28.00 (111.00 to 167.00)

assign (segid "GB1A" and resid  40 and name  N)
       (segid "GB1A" and resid  40 and name CA) 
       (segid "GB1A" and resid  40 and name  C)
       (segid "GB1A" and resid  41 and name  N) 1.0   139.00    28.00 2

!061107 insert G41 -173?14
!8 out of 10 hits, beware 
!assign (segid "GB1A" and resid  41 and name  N)
!       (segid "GB1A" and resid  41 and name CA) 
!       (segid "GB1A" and resid  41 and name  C)
!       (segid "GB1A" and resid  42 and name  N) 1.0  -173.00    14.00 2

! 83. E 42 Psi 133.00 +/- 16.00 (117.00 to 149.00)

assign (segid "GB1A" and resid  42 and name  N)
       (segid "GB1A" and resid  42 and name CA) 
       (segid "GB1A" and resid  42 and name  C)
       (segid "GB1A" and resid  43 and name  N) 1.0   133.00    16.00 2

! 84. W 43 Psi 160.00 +/- 10.00 (150.00 to 170.00)
!beware, 9 out of 10
assign (segid "GB1A" and resid  43 and name  N)
       (segid "GB1A" and resid  43 and name CA) 
       (segid "GB1A" and resid  43 and name  C)
       (segid "GB1A" and resid  44 and name  N) 1.0   160.00    20.0 2 !double 10.00 2

! 85. T 44 Psi 152.00 +/- 17.00 (135.00 to 169.00)

assign (segid "GB1A" and resid  44 and name  N)
       (segid "GB1A" and resid  44 and name CA) 
       (segid "GB1A" and resid  44 and name  C)
       (segid "GB1A" and resid  45 and name  N) 1.0   152.00    17.00 2

! 86. Y 45 Psi 126.00 +/- 24.00 (102.00 to 150.00)
!9 out of 10, beware
assign (segid "GB1A" and resid  45 and name  N)
       (segid "GB1A" and resid  45 and name CA) 
       (segid "GB1A" and resid  45 and name  C)
       (segid "GB1A" and resid  46 and name  N) 1.0   126.00    48.0 2 !double 24.00 2

! 87. D 46 Psi 140.00 +/- 26.00 (114.00 to 166.00)

assign (segid "GB1A" and resid  46 and name  N)
       (segid "GB1A" and resid  46 and name CA) 
       (segid "GB1A" and resid  46 and name  C)
       (segid "GB1A" and resid  47 and name  N) 1.0   140.00    26.00 2

!061107 insert D47 144?42
!8 out of 10
!assign (segid "GB1A" and resid  47 and name  N)
!       (segid "GB1A" and resid  47 and name CA) 
!       (segid "GB1A" and resid  47 and name  C)
!       (segid "GB1A" and resid  48 and name  N) 1.0   144.00    42.00 2

! 88. A 48 Psi -21.00 +/- 15.00 (-36.00 to -6.00)

assign (segid "GB1A" and resid  48 and name  N)
       (segid "GB1A" and resid  48 and name CA) 
       (segid "GB1A" and resid  48 and name  C)
       (segid "GB1A" and resid  49 and name  N) 1.0   -21.00    15.00 2

! 89. T 49 Psi 10.00 +/- 13.00 (-3.00 to 23.00)

assign (segid "GB1A" and resid  49 and name  N)
       (segid "GB1A" and resid  49 and name CA) 
       (segid "GB1A" and resid  49 and name  C)
       (segid "GB1A" and resid  50 and name  N) 1.0    10.00    13.00 2

!K50 psi 37?12, but 5 out of 10 bad

! 90. T 51 Psi 134.00 +/- 16.00 (118.00 to 150.00)
! 9 out of 10, beware 
assign (segid "GB1A" and resid  51 and name  N)
       (segid "GB1A" and resid  51 and name CA) 
       (segid "GB1A" and resid  51 and name  C)
       (segid "GB1A" and resid  52 and name  N) 1.0   134.00    32.00 2 ! double error bars 16.00 2

! 91. F 52 Psi 150.00 +/- 16.00 (134.00 to 166.00)

assign (segid "GB1A" and resid  52 and name  N)
       (segid "GB1A" and resid  52 and name CA) 
       (segid "GB1A" and resid  52 and name  C)
       (segid "GB1A" and resid  53 and name  N) 1.0   150.00    16.00 2

! 92. T 53 Psi 144.00 +/- 17.00 (127.00 to 161.00)
! 9 out of 10, beware 
assign (segid "GB1A" and resid  53 and name  N)
       (segid "GB1A" and resid  53 and name CA) 
       (segid "GB1A" and resid  53 and name  C)
       (segid "GB1A" and resid  54 and name  N) 1.0   144.00    34.00 2 ! double error bars 17.00 2

! 93. V 54 Psi 139.00 +/- 14.00 (125.00 to 153.00)

assign (segid "GB1A" and resid  54 and name  N)
       (segid "GB1A" and resid  54 and name CA) 
       (segid "GB1A" and resid  54 and name  C)
       (segid "GB1A" and resid  55 and name  N) 1.0   139.00    14.00 2

! 94. T 55 Psi 128.00 +/- 12.00 (116.00 to 140.00)

assign (segid "GB1A" and resid  55 and name  N)
       (segid "GB1A" and resid  55 and name CA) 
       (segid "GB1A" and resid  55 and name  C)
       (segid "GB1A" and resid  56 and name  N) 1.0   128.00    12.00 2


! 1. Q 2 Phi -109.00 +/- 17.00 (-126.00 to -92.00)

assign (segid "GB1B" and resid    1 and name  C)
       (segid "GB1B" and resid    2 and name  N) 
       (segid "GB1B" and resid    2 and name CA)
       (segid "GB1B" and resid    2 and name  C) 1.0  -109.00    17.00 2

! 2. Y 3 Phi -130.00 +/- 14.00 (-144.00 to -116.00)

assign (segid "GB1B" and resid    2 and name  C)
       (segid "GB1B" and resid    3 and name  N) 
       (segid "GB1B" and resid    3 and name CA)
       (segid "GB1B" and resid    3 and name  C) 1.0  -130.00    14.00 2

! 3. K 4 Phi -137.00 +/- 17.00 (-154.00 to -120.00)

assign (segid "GB1B" and resid    3 and name  C)
       (segid "GB1B" and resid    4 and name  N) 
       (segid "GB1B" and resid    4 and name CA)
       (segid "GB1B" and resid    4 and name  C) 1.0  -137.00    17.00 2

! 4. L 5 Phi -115.00 +/- 16.00 (-131.00 to -99.00)

assign (segid "GB1B" and resid    4 and name  C)
       (segid "GB1B" and resid    5 and name  N) 
       (segid "GB1B" and resid    5 and name CA)
       (segid "GB1B" and resid    5 and name  C) 1.0  -115.00    16.00 2

! 5. I 6 Phi -108.00 +/- 6.00 (-114.00 to -102.00)

assign (segid "GB1B" and resid    5 and name  C)
       (segid "GB1B" and resid    6 and name  N) 
       (segid "GB1B" and resid    6 and name CA)
       (segid "GB1B" and resid    6 and name  C) 1.0  -108.00     6.00 2

! 6. L 7 Phi -103.00 +/- 9.00 (-112.00 to -94.00)

assign (segid "GB1B" and resid    6 and name  C)
       (segid "GB1B" and resid    7 and name  N) 
       (segid "GB1B" and resid    7 and name CA)
       (segid "GB1B" and resid    7 and name  C) 1.0  -103.00     9.00 2

! 7. N 8 Phi -100.00 +/- 17.00 (-117.00 to -83.00)
! 9 out of 10 good hits; beware
assign (segid "GB1B" and resid    7 and name  C)
       (segid "GB1B" and resid    8 and name  N) 
       (segid "GB1B" and resid    8 and name CA)
       (segid "GB1B" and resid    8 and name  C) 1.0  -100.00    34.00 2 ! double error 17.00 2

! G9 phi missing (-85?13, but only 4 out of 10 hits)
! K10 phi missing (-68?6, but only 5 out of 10 hits)

! 8. T 11 Phi -94.00 +/- 17.00 (-111.00 to -77.00)
!9 out of 10 good hits; beware
assign (segid "GB1B" and resid   10 and name  C)
       (segid "GB1B" and resid   11 and name  N) 
       (segid "GB1B" and resid   11 and name CA)
       (segid "GB1B" and resid   11 and name  C) 1.0   -94.00    34.0 2 ! double error 17.00 2

! 9. L 12 Phi -113.00 +/- 25.00 (-138.00 to -88.00)

assign (segid "GB1B" and resid   11 and name  C)
       (segid "GB1B" and resid   12 and name  N) 
       (segid "GB1B" and resid   12 and name CA)
       (segid "GB1B" and resid   12 and name  C) 1.0  -113.00    25.00 2

! 10. K 13 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1B" and resid   12 and name  C)
       (segid "GB1B" and resid   13 and name  N) 
       (segid "GB1B" and resid   13 and name CA)
       (segid "GB1B" and resid   13 and name  C) 1.0  -134.00    10.00 2

! 11. G 14 Phi -153.00 +/- 15.00 (-168.00 to -138.00)
! ambiguous
assign (segid "GB1B" and resid   13 and name  C)
       (segid "GB1B" and resid   14 and name  N) 
       (segid "GB1B" and resid   14 and name CA)
       (segid "GB1B" and resid   14 and name  C) 1.0  -153.00    32.00 2 ! double error 16.00 2

! 12. E 15 Phi -129.00 +/- 12.00 (-141.00 to -117.00)

assign (segid "GB1B" and resid   14 and name  C)
       (segid "GB1B" and resid   15 and name  N) 
       (segid "GB1B" and resid   15 and name CA)
       (segid "GB1B" and resid   15 and name  C) 1.0  -129.00    12.00 2

! 13. T 16 Phi -125.00 +/- 21.00 (-146.00 to -104.00)

assign (segid "GB1B" and resid   15 and name  C)
       (segid "GB1B" and resid   16 and name  N) 
       (segid "GB1B" and resid   16 and name CA)
       (segid "GB1B" and resid   16 and name  C) 1.0  -125.00    21.00 2

! 14. T 17 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1B" and resid   16 and name  C)
       (segid "GB1B" and resid   17 and name  N) 
       (segid "GB1B" and resid   17 and name CA)
       (segid "GB1B" and resid   17 and name  C) 1.0  -134.00    10.00 2

! 15. T 18 Phi -130.00 +/- 25.00 (-155.00 to -105.00)

assign (segid "GB1B" and resid   17 and name  C)
       (segid "GB1B" and resid   18 and name  N) 
       (segid "GB1B" and resid   18 and name CA)
       (segid "GB1B" and resid   18 and name  C) 1.0  -130.00    25.00 2

! 16. E 19 Phi -117.00 +/- 10.00 (-127.00 to -107.00)

assign (segid "GB1B" and resid   18 and name  C)
       (segid "GB1B" and resid   19 and name  N) 
       (segid "GB1B" and resid   19 and name CA)
       (segid "GB1B" and resid   19 and name  C) 1.0  -117.00    10.00 2

! 17. A 20 Phi -124.00 +/- 28.00 (-152.00 to -96.00)

assign (segid "GB1B" and resid   19 and name  C)
       (segid "GB1B" and resid   20 and name  N) 
       (segid "GB1B" and resid   20 and name CA)
       (segid "GB1B" and resid   20 and name  C) 1.0  -124.00    28.00 2

!V21 -82?13 but only 6 out of 10 hits, so leave out
!D22 -130?21 but only 7 out of 10 hits, so leave out

! 18. A 23 Phi -63.00 +/- 10.00 (-73.00 to -53.00)

assign (segid "GB1B" and resid   22 and name  C)
       (segid "GB1B" and resid   23 and name  N) 
       (segid "GB1B" and resid   23 and name CA)
       (segid "GB1B" and resid   23 and name  C) 1.0   -63.00    10.00 2

! 19. A 24 Phi -65.00 +/- 6.00 (-71.00 to -59.00)

assign (segid "GB1B" and resid   23 and name  C)
       (segid "GB1B" and resid   24 and name  N) 
       (segid "GB1B" and resid   24 and name CA)
       (segid "GB1B" and resid   24 and name  C) 1.0   -65.00     6.00 2

! 20. T 25 Phi -66.00 +/- 9.00 (-75.00 to -57.00)

assign (segid "GB1B" and resid   24 and name  C)
       (segid "GB1B" and resid   25 and name  N) 
       (segid "GB1B" and resid   25 and name CA)
       (segid "GB1B" and resid   25 and name  C) 1.0   -66.00     9.00 2

! 21. A 26 Phi -62.00 +/- 5.00 (-67.00 to -57.00)

assign (segid "GB1B" and resid   25 and name  C)
       (segid "GB1B" and resid   26 and name  N) 
       (segid "GB1B" and resid   26 and name CA)
       (segid "GB1B" and resid   26 and name  C) 1.0   -62.00     5.00 2

! 22. E 27 Phi -66.00 +/- 8.00 (-74.00 to -58.00)
assign (segid "GB1B" and resid   26 and name  C)
       (segid "GB1B" and resid   27 and name  N) 
       (segid "GB1B" and resid   27 and name CA)
       (segid "GB1B" and resid   27 and name  C) 1.0   -66.00     8.00 2 

! 23. K 28 Phi -65.00 +/- 4.00 (-69.00 to -61.00)

assign (segid "GB1B" and resid   27 and name  C)
       (segid "GB1B" and resid   28 and name  N) 
       (segid "GB1B" and resid   28 and name CA)
       (segid "GB1B" and resid   28 and name  C) 1.0   -65.00     5.00 2

! 24. V 29 Phi -64.00 +/- 4.00 (-68.00 to -60.00)

assign (segid "GB1B" and resid   28 and name  C)
       (segid "GB1B" and resid   29 and name  N) 
       (segid "GB1B" and resid   29 and name CA)
       (segid "GB1B" and resid   29 and name  C) 1.0   -64.00     5.00 2  !min error bar 5 deg.

! 25. F 30 Phi -67.00 +/- 4.00 (-71.00 to -63.00)

assign (segid "GB1B" and resid   29 and name  C)
       (segid "GB1B" and resid   30 and name  N) 
       (segid "GB1B" and resid   30 and name CA)
       (segid "GB1B" and resid   30 and name  C) 1.0   -67.00     5.00 2  !min error bar 5 deg.

! 26. K 31 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1B" and resid   30 and name  C)
       (segid "GB1B" and resid   31 and name  N) 
       (segid "GB1B" and resid   31 and name CA)
       (segid "GB1B" and resid   31 and name  C) 1.0   -66.00     7.00 2

! 27. Q 32 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1B" and resid   31 and name  C)
       (segid "GB1B" and resid   32 and name  N) 
       (segid "GB1B" and resid   32 and name CA)
       (segid "GB1B" and resid   32 and name  C) 1.0   -66.00     7.00 2

! 28. Y 33 Phi -67.00 +/- 5.00 (-72.00 to -62.00)

assign (segid "GB1B" and resid   32 and name  C)
       (segid "GB1B" and resid   33 and name  N) 
       (segid "GB1B" and resid   33 and name CA)
       (segid "GB1B" and resid   33 and name  C) 1.0   -67.00     5.00 2

! 29. A 34 Phi -66.00 +/- 5.00 (-71.00 to -61.00)

assign (segid "GB1B" and resid   33 and name  C)
       (segid "GB1B" and resid   34 and name  N) 
       (segid "GB1B" and resid   34 and name CA)
       (segid "GB1B" and resid   34 and name  C) 1.0   -66.00     5.00 2

! 30. N 35 Phi -64.00 +/- 7.00 (-71.00 to -57.00)

assign (segid "GB1B" and resid   34 and name  C)
       (segid "GB1B" and resid   35 and name  N) 
       (segid "GB1B" and resid   35 and name CA)
       (segid "GB1B" and resid   35 and name  C) 1.0   -64.00     7.00 2

! 31. D 36 Phi -61.00 +/- 5.00 (-66.00 to -56.00)

assign (segid "GB1B" and resid   35 and name  C)
       (segid "GB1B" and resid   36 and name  N) 
       (segid "GB1B" and resid   36 and name CA)
       (segid "GB1B" and resid   36 and name  C) 1.0   -61.00     5.00 2

! 32. N 37 Phi -102.00 +/- 16.00 (-118.00 to -86.00)
!9 out of 10 hits, beware
assign (segid "GB1B" and resid   36 and name  C)
       (segid "GB1B" and resid   37 and name  N) 
       (segid "GB1B" and resid   37 and name CA)
       (segid "GB1B" and resid   37 and name  C) 1.0  -102.00    32.0 2  !double error 16.00 2

! 33. G 38 Phi 83.00 +/- 11.00 (72.00 to 94.00)
!8 out of 10 hits, beware !remove
!assign (segid "GB1B" and resid   37 and name  C)
!       (segid "GB1B" and resid   38 and name  N) 
!       (segid "GB1B" and resid   38 and name CA)
!       (segid "GB1B" and resid   38 and name  C) 1.0    83.00    11.00 2

! 34. V 39 Phi -101.00 +/- 20.00 (-121.00 to -81.00)

assign (segid "GB1B" and resid   38 and name  C)
       (segid "GB1B" and resid   39 and name  N) 
       (segid "GB1B" and resid   39 and name CA)
       (segid "GB1B" and resid   39 and name  C) 1.0  -101.00    20.00 2

! 35. D 40 Phi -98.00 +/- 27.00 (-125.00 to -71.00)

assign (segid "GB1B" and resid   39 and name  C)
       (segid "GB1B" and resid   40 and name  N) 
       (segid "GB1B" and resid   40 and name CA)
       (segid "GB1B" and resid   40 and name  C) 1.0   -98.00    27.00 2

!061107 insert G41 -180?51
!8 out of 10 hits, beware 
!assign (segid "GB1B" and resid   40 and name  C)
!       (segid "GB1B" and resid   41 and name  N) 
!       (segid "GB1B" and resid   41 and name CA)
!       (segid "GB1B" and resid   41 and name  C) 1.0   -180.00    51.00 2

! 36. E 42 Phi -98.00 +/- 22.00 (-120.00 to -76.00)

assign (segid "GB1B" and resid   41 and name  C)
       (segid "GB1B" and resid   42 and name  N) 
       (segid "GB1B" and resid   42 and name CA)
       (segid "GB1B" and resid   42 and name  C) 1.0   -98.00    22.00 2

! 37. W 43 Phi -122.00 +/- 16.00 (-138.00 to -106.00)
! 9 out of 10 hits, beware
assign (segid "GB1B" and resid   42 and name  C)
       (segid "GB1B" and resid   43 and name  N) 
       (segid "GB1B" and resid   43 and name CA)
       (segid "GB1B" and resid   43 and name  C) 1.0  -122.00    32.00 2 ! double error 16.00 2

! 38. T 44 Phi -133.00 +/- 23.00 (-156.00 to -110.00)

assign (segid "GB1B" and resid   43 and name  C)
       (segid "GB1B" and resid   44 and name  N) 
       (segid "GB1B" and resid   44 and name CA)
       (segid "GB1B" and resid   44 and name  C) 1.0  -133.00    23.00 2

! 39. Y 45 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
!9 out of 10, beware
assign (segid "GB1B" and resid   44 and name  C)
       (segid "GB1B" and resid   45 and name  N) 
       (segid "GB1B" and resid   45 and name CA)
       (segid "GB1B" and resid   45 and name  C) 1.0  -119.00    56.0 2 !double 28.00 2

! 40. D 46 Phi -105.00 +/- 18.00 (-123.00 to -87.00)

assign (segid "GB1B" and resid   45 and name  C)
       (segid "GB1B" and resid   46 and name  N) 
       (segid "GB1B" and resid   46 and name CA)
       (segid "GB1B" and resid   46 and name  C) 1.0  -105.00    18.00 2

!061107 insert D47 -88?22
!warning, 7 out of 10
!assign (segid "GB1B" and resid   46 and name  C)
!       (segid "GB1B" and resid   47 and name  N) 
!       (segid "GB1B" and resid   47 and name CA)
!       (segid "GB1B" and resid   47 and name  C) 1.0   -88.00    22.00 2

! 41. A 48 Phi -66.00 +/- 13.00 (-79.00 to -53.00)

assign (segid "GB1B" and resid   47 and name  C)
       (segid "GB1B" and resid   48 and name  N) 
       (segid "GB1B" and resid   48 and name CA)
       (segid "GB1B" and resid   48 and name  C) 1.0   -66.00    13.00 2

! 42. T 49 Phi -110.00 +/- 9.00 (-119.00 to -101.00)

assign (segid "GB1B" and resid   48 and name  C)
       (segid "GB1B" and resid   49 and name  N) 
       (segid "GB1B" and resid   49 and name CA)
       (segid "GB1B" and resid   49 and name  C) 1.0  -110.00     18 2 !061407 9.00 2

!K50, 5 out of 10, 58?4

! 43. T 51 Phi -105.00 +/- 43.00 (-148.00 to -62.00)
! 9 out of 10, beware 
assign (segid "GB1B" and resid   50 and name  C)
       (segid "GB1B" and resid   51 and name  N) 
       (segid "GB1B" and resid   51 and name CA)
       (segid "GB1B" and resid   51 and name  C) 1.0  -105.00    86.00 2

! 44. F 52 Phi -121.00 +/- 13.00 (-134.00 to -108.00)

assign (segid "GB1B" and resid   51 and name  C)
       (segid "GB1B" and resid   52 and name  N) 
       (segid "GB1B" and resid   52 and name CA)
       (segid "GB1B" and resid   52 and name  C) 1.0  -121.00    13.00 2

! 45. T 53 Phi -133.00 +/- 11.00 (-144.00 to -122.00)
! 9 out of 10, beware
assign (segid "GB1B" and resid   52 and name  C)
       (segid "GB1B" and resid   53 and name  N) 
       (segid "GB1B" and resid   53 and name CA)
       (segid "GB1B" and resid   53 and name  C) 1.0  -133.00    22.00 2

! 46. V 54 Phi -131.00 +/- 16.00 (-147.00 to -115.00)

assign (segid "GB1B" and resid   53 and name  C)
       (segid "GB1B" and resid   54 and name  N) 
       (segid "GB1B" and resid   54 and name CA)
       (segid "GB1B" and resid   54 and name  C) 1.0  -131.00    16.00 2

! 47. T 55 Phi -110.00 +/- 14.00 (-124.00 to -96.00)

assign (segid "GB1B" and resid   54 and name  C)
       (segid "GB1B" and resid   55 and name  N) 
       (segid "GB1B" and resid   55 and name CA)
       (segid "GB1B" and resid   55 and name  C) 1.0  -110.00    14.00 2


! 48. Q 2 Psi 136.00 +/- 13.00 (123.00 to 149.00)

assign (segid "GB1B" and resid    2 and name  N)
       (segid "GB1B" and resid    2 and name CA) 
       (segid "GB1B" and resid    2 and name  C)
       (segid "GB1B" and resid    3 and name  N) 1.0   136.00    13.00 2

! 49. Y 3 Psi 153.00 +/- 15.00 (138.00 to 168.00)

assign (segid "GB1B" and resid    3 and name  N)
       (segid "GB1B" and resid    3 and name CA) 
       (segid "GB1B" and resid    3 and name  C)
       (segid "GB1B" and resid    4 and name  N) 1.0   153.00    15.00 2

! 50. K 4 Psi 136.00 +/- 7.00 (129.00 to 143.00)

assign (segid "GB1B" and resid    4 and name  N)
       (segid "GB1B" and resid    4 and name CA) 
       (segid "GB1B" and resid    4 and name  C)
       (segid "GB1B" and resid    5 and name  N) 1.0   136.00     7.00 2

! 51. L 5 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1B" and resid    5 and name  N)
       (segid "GB1B" and resid    5 and name CA) 
       (segid "GB1B" and resid    5 and name  C)
       (segid "GB1B" and resid    6 and name  N) 1.0   122.00    16.00 2

! 52. I 6 Psi 120.00 +/- 12.00 (108.00 to 132.00)

assign (segid "GB1B" and resid    6 and name  N)
       (segid "GB1B" and resid    6 and name CA) 
       (segid "GB1B" and resid    6 and name  C)
       (segid "GB1B" and resid    7 and name  N) 1.0   120.00    12.00 2

! 53. L 7 Psi 119.00 +/- 11.00 (108.00 to 130.00)

assign (segid "GB1B" and resid    7 and name  N)
       (segid "GB1B" and resid    7 and name CA) 
       (segid "GB1B" and resid    7 and name  C)
       (segid "GB1B" and resid    8 and name  N) 1.0   119.00    11.00 2

! 54. N 8 Psi 142.00 +/- 26.00 (116.00 to 168.00)
!beware, 9 out of 10
assign (segid "GB1B" and resid    8 and name  N)
       (segid "GB1B" and resid    8 and name CA) 
       (segid "GB1B" and resid    8 and name  C)
       (segid "GB1B" and resid    9 and name  N) 1.0   142.00    52.0 2 !double  26.00 2

!G9 psi, 136?29, but only 4 out of 10
!K10 psi, 134+15, but only 5 out of 10

! 55. T 11 Psi -6.00 +/- 14.00 (-20.00 to 8.00)
!beware, 9 out of 10
assign (segid "GB1B" and resid   11 and name  N)
       (segid "GB1B" and resid   11 and name CA) 
       (segid "GB1B" and resid   11 and name  C)
       (segid "GB1B" and resid   12 and name  N) 1.0    -6.00    28.0 2 ! 14.00 2

! 56. L 12 Psi 124.00 +/- 27.00 (97.00 to 151.00)

assign (segid "GB1B" and resid   12 and name  N)
       (segid "GB1B" and resid   12 and name CA) 
       (segid "GB1B" and resid   12 and name  C)
       (segid "GB1B" and resid   13 and name  N) 1.0   124.00    27.00 2

! 57. K 13 Psi 156.00 +/- 16.00 (140.00 to 172.00)

assign (segid "GB1B" and resid   13 and name  N)
       (segid "GB1B" and resid   13 and name CA) 
       (segid "GB1B" and resid   13 and name  C)
       (segid "GB1B" and resid   14 and name  N) 1.0   156.00    16.00 2

! 58. G 14 Psi 159.00 +/- 23.00 (136.00 to 182.00)
! beware
assign (segid "GB1B" and resid   14 and name  N)
       (segid "GB1B" and resid   14 and name CA) 
       (segid "GB1B" and resid   14 and name  C)
       (segid "GB1B" and resid   15 and name  N) 1.0   159.00    46.00 2 ! double error 23.00 2

! 59. E 15 Psi 151.00 +/- 12.00 (139.00 to 163.00)

assign (segid "GB1B" and resid   15 and name  N)
       (segid "GB1B" and resid   15 and name CA) 
       (segid "GB1B" and resid   15 and name  C)
       (segid "GB1B" and resid   16 and name  N) 1.0   151.00    12.00 2

! 60. T 16 Psi 153.00 +/- 23.00 (130.00 to 176.00)

assign (segid "GB1B" and resid   16 and name  N)
       (segid "GB1B" and resid   16 and name CA) 
       (segid "GB1B" and resid   16 and name  C)
       (segid "GB1B" and resid   17 and name  N) 1.0   153.00    23.00 2

! 61. T 17 Psi 152.00 +/- 20.00 (132.00 to 172.00)

assign (segid "GB1B" and resid   17 and name  N)
       (segid "GB1B" and resid   17 and name CA) 
       (segid "GB1B" and resid   17 and name  C)
       (segid "GB1B" and resid   18 and name  N) 1.0   152.00    20.00 2

! 62. T 18 Psi 137.00 +/- 14.00 (123.00 to 151.00)

assign (segid "GB1B" and resid   18 and name  N)
       (segid "GB1B" and resid   18 and name CA) 
       (segid "GB1B" and resid   18 and name  C)
       (segid "GB1B" and resid   19 and name  N) 1.0   137.00    14.00 2

! 63. E 19 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1B" and resid   19 and name  N)
       (segid "GB1B" and resid   19 and name CA) 
       (segid "GB1B" and resid   19 and name  C)
       (segid "GB1B" and resid   20 and name  N) 1.0   122.00    16.00 2

! 64. A 20 Psi 160.00 +/- 16.00 (144.00 to 176.00)

assign (segid "GB1B" and resid   20 and name  N)
       (segid "GB1B" and resid   20 and name CA) 
       (segid "GB1B" and resid   20 and name  C)
       (segid "GB1B" and resid   21 and name  N) 1.0   160.00    16.00 2

!V21 psi -17?17, 6 out of 10
!D22 psi 156?25, 7 out of 10

! 65. A 23 Psi -35.00 +/- 11.00 (-46.00 to -24.00)

assign (segid "GB1B" and resid   23 and name  N)
       (segid "GB1B" and resid   23 and name CA) 
       (segid "GB1B" and resid   23 and name  C)
       (segid "GB1B" and resid   24 and name  N) 1.0   -35.00    11.00 2

! 66. A 24 Psi -38.00 +/- 7.00 (-45.00 to -31.00)

assign (segid "GB1B" and resid   24 and name  N)
       (segid "GB1B" and resid   24 and name CA) 
       (segid "GB1B" and resid   24 and name  C)
       (segid "GB1B" and resid   25 and name  N) 1.0   -38.00     7.00 2

! 67. T 25 Psi -38.00 +/- 8.00 (-46.00 to -30.00)

assign (segid "GB1B" and resid   25 and name  N)
       (segid "GB1B" and resid   25 and name CA) 
       (segid "GB1B" and resid   25 and name  C)
       (segid "GB1B" and resid   26 and name  N) 1.0   -38.00     8.00 2

! 68. A 26 Psi -41.00 +/- 3.00 (-44.00 to -38.00)

assign (segid "GB1B" and resid   26 and name  N)
       (segid "GB1B" and resid   26 and name CA) 
       (segid "GB1B" and resid   26 and name  C)
       (segid "GB1B" and resid   27 and name  N) 1.0   -41.00     5.0 2 !min. 5 deg. error

! 69. E 27 Psi -37.00 +/- 17.00 (-54.00 to -20.00)
assign (segid "GB1B" and resid   27 and name  N)
       (segid "GB1B" and resid   27 and name CA) 
       (segid "GB1B" and resid   27 and name  C)
       (segid "GB1B" and resid   28 and name  N) 1.0   -37.00    17.00 2 

! 70. K 28 Psi -41.00 +/- 5.00 (-46.00 to -36.00)

assign (segid "GB1B" and resid   28 and name  N)
       (segid "GB1B" and resid   28 and name CA) 
       (segid "GB1B" and resid   28 and name  C)
       (segid "GB1B" and resid   29 and name  N) 1.0   -41.00    5.0 2 

! 71. V 29 Psi -46.00 +/- 4.00 (-50.00 to -42.00)

assign (segid "GB1B" and resid   29 and name  N)
       (segid "GB1B" and resid   29 and name CA) 
       (segid "GB1B" and resid   29 and name  C)
       (segid "GB1B" and resid   30 and name  N) 1.0   -46.00    5.0 2 !min 5 deg. error

! 72. F 30 Psi -35.00 +/- 7.00 (-42.00 to -28.00)

assign (segid "GB1B" and resid   30 and name  N)
       (segid "GB1B" and resid   30 and name CA) 
       (segid "GB1B" and resid   30 and name  C)
       (segid "GB1B" and resid   31 and name  N) 1.0   -35.00     7.00 2

! 73. K 31 Psi -41.00 +/- 10.00 (-51.00 to -31.00)

assign (segid "GB1B" and resid   31 and name  N)
       (segid "GB1B" and resid   31 and name CA) 
       (segid "GB1B" and resid   31 and name  C)
       (segid "GB1B" and resid   32 and name  N) 1.0   -41.00    10.00 2

! 74. Q 32 Psi -43.00 +/- 9.00 (-52.00 to -34.00)

assign (segid "GB1B" and resid   32 and name  N)
       (segid "GB1B" and resid   32 and name CA) 
       (segid "GB1B" and resid   32 and name  C)
       (segid "GB1B" and resid   33 and name  N) 1.0   -43.00     9.00 2

! 75. Y 33 Psi -37.00 +/- 9.00 (-46.00 to -28.00)

assign (segid "GB1B" and resid   33 and name  N)
       (segid "GB1B" and resid   33 and name CA) 
       (segid "GB1B" and resid   33 and name  C)
       (segid "GB1B" and resid   34 and name  N) 1.0   -37.00     9.00 2

! 76. A 34 Psi -42.00 +/- 4.00 (-46.00 to -38.00)

assign (segid "GB1B" and resid   34 and name  N)
       (segid "GB1B" and resid   34 and name CA) 
       (segid "GB1B" and resid   34 and name  C)
       (segid "GB1B" and resid   35 and name  N) 1.0   -42.00    5.0 2 !min 5 deg. error

! 77. N 35 Psi -37.00 +/- 11.00 (-48.00 to -26.00)

assign (segid "GB1B" and resid   35 and name  N)
       (segid "GB1B" and resid   35 and name CA) 
       (segid "GB1B" and resid   35 and name  C)
       (segid "GB1B" and resid   36 and name  N) 1.0   -37.00    11.00 2

! 78. D 36 Psi -31.00 +/- 8.00 (-39.00 to -23.00)

assign (segid "GB1B" and resid   36 and name  N)
       (segid "GB1B" and resid   36 and name CA) 
       (segid "GB1B" and resid   36 and name  C)
       (segid "GB1B" and resid   37 and name  N) 1.0   -31.00     8.00 2

! 79. N 37 Psi 8.00 +/- 16.00 (-8.00 to 24.00)
!beware, 9 out of 10
assign (segid "GB1B" and resid   37 and name  N)
       (segid "GB1B" and resid   37 and name CA) 
       (segid "GB1B" and resid   37 and name  C)
       (segid "GB1B" and resid   38 and name  N) 1.0     8.00    32.0 2 !double 16.00 2

! 80. G 38 Psi 14.00 +/- 9.00 (5.00 to 23.00)
!beware, 8 out of 10
!assign (segid "GB1B" and resid   38 and name  N)
!       (segid "GB1B" and resid   38 and name CA) 
!       (segid "GB1B" and resid   38 and name  C)
!       (segid "GB1B" and resid   39 and name  N) 1.0    14.00     9.00 2!

! 81. V 39 Psi 125.00 +/- 15.00 (110.00 to 140.00)

assign (segid "GB1B" and resid   39 and name  N)
       (segid "GB1B" and resid   39 and name CA) 
       (segid "GB1B" and resid   39 and name  C)
       (segid "GB1B" and resid   40 and name  N) 1.0   125.00    15.00 2

! 82. D 40 Psi 139.00 +/- 28.00 (111.00 to 167.00)

assign (segid "GB1B" and resid   40 and name  N)
       (segid "GB1B" and resid   40 and name CA) 
       (segid "GB1B" and resid   40 and name  C)
       (segid "GB1B" and resid   41 and name  N) 1.0   139.00    28.00 2

!061107 insert G41 -173?14
!8 out of 10 hits, beware 
!assign (segid "GB1B" and resid   41 and name  N)
!       (segid "GB1B" and resid   41 and name CA) 
!       (segid "GB1B" and resid   41 and name  C)
!       (segid "GB1B" and resid   42 and name  N) 1.0  -173.00    14.00 2

! 83. E 42 Psi 133.00 +/- 16.00 (117.00 to 149.00)

assign (segid "GB1B" and resid   42 and name  N)
       (segid "GB1B" and resid   42 and name CA) 
       (segid "GB1B" and resid   42 and name  C)
       (segid "GB1B" and resid   43 and name  N) 1.0   133.00    16.00 2

! 84. W 43 Psi 160.00 +/- 10.00 (150.00 to 170.00)
!beware, 9 out of 10
assign (segid "GB1B" and resid   43 and name  N)
       (segid "GB1B" and resid   43 and name CA) 
       (segid "GB1B" and resid   43 and name  C)
       (segid "GB1B" and resid   44 and name  N) 1.0   160.00    20.0 2 !double 10.00 2

! 85. T 44 Psi 152.00 +/- 17.00 (135.00 to 169.00)

assign (segid "GB1B" and resid   44 and name  N)
       (segid "GB1B" and resid   44 and name CA) 
       (segid "GB1B" and resid   44 and name  C)
       (segid "GB1B" and resid   45 and name  N) 1.0   152.00    17.00 2

! 86. Y 45 Psi 126.00 +/- 24.00 (102.00 to 150.00)
!9 out of 10, beware
assign (segid "GB1B" and resid   45 and name  N)
       (segid "GB1B" and resid   45 and name CA) 
       (segid "GB1B" and resid   45 and name  C)
       (segid "GB1B" and resid   46 and name  N) 1.0   126.00    48.0 2 !double 24.00 2

! 87. D 46 Psi 140.00 +/- 26.00 (114.00 to 166.00)

assign (segid "GB1B" and resid   46 and name  N)
       (segid "GB1B" and resid   46 and name CA) 
       (segid "GB1B" and resid   46 and name  C)
       (segid "GB1B" and resid   47 and name  N) 1.0   140.00    26.00 2

!061107 insert D47 144?42
!8 out of 10
!assign (segid "GB1B" and resid   47 and name  N)
!       (segid "GB1B" and resid   47 and name CA) 
!       (segid "GB1B" and resid   47 and name  C)
!       (segid "GB1B" and resid   48 and name  N) 1.0   144.00    42.00 2

! 88. A 48 Psi -21.00 +/- 15.00 (-36.00 to -6.00)

assign (segid "GB1B" and resid   48 and name  N)
       (segid "GB1B" and resid   48 and name CA) 
       (segid "GB1B" and resid   48 and name  C)
       (segid "GB1B" and resid   49 and name  N) 1.0   -21.00    15.00 2

! 89. T 49 Psi 10.00 +/- 13.00 (-3.00 to 23.00)

assign (segid "GB1B" and resid   49 and name  N)
       (segid "GB1B" and resid   49 and name CA) 
       (segid "GB1B" and resid   49 and name  C)
       (segid "GB1B" and resid   50 and name  N) 1.0    10.00    13.00 2

!K50 psi 37?12, but 5 out of 10 bad

! 90. T 51 Psi 134.00 +/- 16.00 (118.00 to 150.00)
! 9 out of 10, beware 
assign (segid "GB1B" and resid   51 and name  N)
       (segid "GB1B" and resid   51 and name CA) 
       (segid "GB1B" and resid   51 and name  C)
       (segid "GB1B" and resid   52 and name  N) 1.0   134.00    32.00 2 ! double error bars 16.00 2

! 91. F 52 Psi 150.00 +/- 16.00 (134.00 to 166.00)

assign (segid "GB1B" and resid   52 and name  N)
       (segid "GB1B" and resid   52 and name CA) 
       (segid "GB1B" and resid   52 and name  C)
       (segid "GB1B" and resid   53 and name  N) 1.0   150.00    16.00 2

! 92. T 53 Psi 144.00 +/- 17.00 (127.00 to 161.00)
! 9 out of 10, beware 
assign (segid "GB1B" and resid   53 and name  N)
       (segid "GB1B" and resid   53 and name CA) 
       (segid "GB1B" and resid   53 and name  C)
       (segid "GB1B" and resid   54 and name  N) 1.0   144.00    34.00 2 ! double error bars 17.00 2

! 93. V 54 Psi 139.00 +/- 14.00 (125.00 to 153.00)

assign (segid "GB1B" and resid   54 and name  N)
       (segid "GB1B" and resid   54 and name CA) 
       (segid "GB1B" and resid   54 and name  C)
       (segid "GB1B" and resid   55 and name  N) 1.0   139.00    14.00 2

! 94. T 55 Psi 128.00 +/- 12.00 (116.00 to 140.00)

assign (segid "GB1B" and resid   55 and name  N)
       (segid "GB1B" and resid   55 and name CA) 
       (segid "GB1B" and resid   55 and name  C)
       (segid "GB1B" and resid   56 and name  N) 1.0   128.00    12.00 2

! 1. Q 2 Phi -109.00 +/- 17.00 (-126.00 to -92.00)

assign (segid "GB1C" and resid    1 and name  C)
       (segid "GB1C" and resid    2 and name  N) 
       (segid "GB1C" and resid    2 and name CA)
       (segid "GB1C" and resid    2 and name  C) 1.0  -109.00    17.00 2

! 2. Y 3 Phi -130.00 +/- 14.00 (-144.00 to -116.00)

assign (segid "GB1C" and resid    2 and name  C)
       (segid "GB1C" and resid    3 and name  N) 
       (segid "GB1C" and resid    3 and name CA)
       (segid "GB1C" and resid    3 and name  C) 1.0  -130.00    14.00 2

! 3. K 4 Phi -137.00 +/- 17.00 (-154.00 to -120.00)

assign (segid "GB1C" and resid    3 and name  C)
       (segid "GB1C" and resid    4 and name  N) 
       (segid "GB1C" and resid    4 and name CA)
       (segid "GB1C" and resid    4 and name  C) 1.0  -137.00    17.00 2

! 4. L 5 Phi -115.00 +/- 16.00 (-131.00 to -99.00)

assign (segid "GB1C" and resid    4 and name  C)
       (segid "GB1C" and resid    5 and name  N) 
       (segid "GB1C" and resid    5 and name CA)
       (segid "GB1C" and resid    5 and name  C) 1.0  -115.00    16.00 2

! 5. I 6 Phi -108.00 +/- 6.00 (-114.00 to -102.00)

assign (segid "GB1C" and resid    5 and name  C)
       (segid "GB1C" and resid    6 and name  N) 
       (segid "GB1C" and resid    6 and name CA)
       (segid "GB1C" and resid    6 and name  C) 1.0  -108.00     6.00 2

! 6. L 7 Phi -103.00 +/- 9.00 (-112.00 to -94.00)

assign (segid "GB1C" and resid    6 and name  C)
       (segid "GB1C" and resid    7 and name  N) 
       (segid "GB1C" and resid    7 and name CA)
       (segid "GB1C" and resid    7 and name  C) 1.0  -103.00     9.00 2

! 7. N 8 Phi -100.00 +/- 17.00 (-117.00 to -83.00)
! 9 out of 10 good hits; beware
assign (segid "GB1C" and resid    7 and name  C)
       (segid "GB1C" and resid    8 and name  N) 
       (segid "GB1C" and resid    8 and name CA)
       (segid "GB1C" and resid    8 and name  C) 1.0  -100.00    34.00 2 ! double error 17.00 2

! G9 phi missing (-85?13, but only 4 out of 10 hits)
! K10 phi missing (-68?6, but only 5 out of 10 hits)

! 8. T 11 Phi -94.00 +/- 17.00 (-111.00 to -77.00)
!9 out of 10 good hits; beware
assign (segid "GB1C" and resid   10 and name  C)
       (segid "GB1C" and resid   11 and name  N) 
       (segid "GB1C" and resid   11 and name CA)
       (segid "GB1C" and resid   11 and name  C) 1.0   -94.00    34.0 2 ! double error 17.00 2

! 9. L 12 Phi -113.00 +/- 25.00 (-138.00 to -88.00)

assign (segid "GB1C" and resid   11 and name  C)
       (segid "GB1C" and resid   12 and name  N) 
       (segid "GB1C" and resid   12 and name CA)
       (segid "GB1C" and resid   12 and name  C) 1.0  -113.00    25.00 2

! 10. K 13 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1C" and resid   12 and name  C)
       (segid "GB1C" and resid   13 and name  N) 
       (segid "GB1C" and resid   13 and name CA)
       (segid "GB1C" and resid   13 and name  C) 1.0  -134.00    10.00 2

! 11. G 14 Phi -153.00 +/- 15.00 (-168.00 to -138.00)
! ambiguous
assign (segid "GB1C" and resid   13 and name  C)
       (segid "GB1C" and resid   14 and name  N) 
       (segid "GB1C" and resid   14 and name CA)
       (segid "GB1C" and resid   14 and name  C) 1.0  -153.00    32.00 2 ! double error 16.00 2

! 12. E 15 Phi -129.00 +/- 12.00 (-141.00 to -117.00)

assign (segid "GB1C" and resid   14 and name  C)
       (segid "GB1C" and resid   15 and name  N) 
       (segid "GB1C" and resid   15 and name CA)
       (segid "GB1C" and resid   15 and name  C) 1.0  -129.00    12.00 2

! 13. T 16 Phi -125.00 +/- 21.00 (-146.00 to -104.00)

assign (segid "GB1C" and resid   15 and name  C)
       (segid "GB1C" and resid   16 and name  N) 
       (segid "GB1C" and resid   16 and name CA)
       (segid "GB1C" and resid   16 and name  C) 1.0  -125.00    21.00 2

! 14. T 17 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1C" and resid   16 and name  C)
       (segid "GB1C" and resid   17 and name  N) 
       (segid "GB1C" and resid   17 and name CA)
       (segid "GB1C" and resid   17 and name  C) 1.0  -134.00    10.00 2

! 15. T 18 Phi -130.00 +/- 25.00 (-155.00 to -105.00)

assign (segid "GB1C" and resid   17 and name  C)
       (segid "GB1C" and resid   18 and name  N) 
       (segid "GB1C" and resid   18 and name CA)
       (segid "GB1C" and resid   18 and name  C) 1.0  -130.00    25.00 2

! 16. E 19 Phi -117.00 +/- 10.00 (-127.00 to -107.00)

assign (segid "GB1C" and resid   18 and name  C)
       (segid "GB1C" and resid   19 and name  N) 
       (segid "GB1C" and resid   19 and name CA)
       (segid "GB1C" and resid   19 and name  C) 1.0  -117.00    10.00 2

! 17. A 20 Phi -124.00 +/- 28.00 (-152.00 to -96.00)

assign (segid "GB1C" and resid   19 and name  C)
       (segid "GB1C" and resid   20 and name  N) 
       (segid "GB1C" and resid   20 and name CA)
       (segid "GB1C" and resid   20 and name  C) 1.0  -124.00    28.00 2

!V21 -82?13 but only 6 out of 10 hits, so leave out
!D22 -130?21 but only 7 out of 10 hits, so leave out

! 18. A 23 Phi -63.00 +/- 10.00 (-73.00 to -53.00)

assign (segid "GB1C" and resid   22 and name  C)
       (segid "GB1C" and resid   23 and name  N) 
       (segid "GB1C" and resid   23 and name CA)
       (segid "GB1C" and resid   23 and name  C) 1.0   -63.00    10.00 2

! 19. A 24 Phi -65.00 +/- 6.00 (-71.00 to -59.00)

assign (segid "GB1C" and resid   23 and name  C)
       (segid "GB1C" and resid   24 and name  N) 
       (segid "GB1C" and resid   24 and name CA)
       (segid "GB1C" and resid   24 and name  C) 1.0   -65.00     6.00 2

! 20. T 25 Phi -66.00 +/- 9.00 (-75.00 to -57.00)

assign (segid "GB1C" and resid   24 and name  C)
       (segid "GB1C" and resid   25 and name  N) 
       (segid "GB1C" and resid   25 and name CA)
       (segid "GB1C" and resid   25 and name  C) 1.0   -66.00     9.00 2

! 21. A 26 Phi -62.00 +/- 5.00 (-67.00 to -57.00)

assign (segid "GB1C" and resid   25 and name  C)
       (segid "GB1C" and resid   26 and name  N) 
       (segid "GB1C" and resid   26 and name CA)
       (segid "GB1C" and resid   26 and name  C) 1.0   -62.00     5.00 2

! 22. E 27 Phi -66.00 +/- 8.00 (-74.00 to -58.00)
assign (segid "GB1C" and resid   26 and name  C)
       (segid "GB1C" and resid   27 and name  N) 
       (segid "GB1C" and resid   27 and name CA)
       (segid "GB1C" and resid   27 and name  C) 1.0   -66.00     8.00 2 

! 23. K 28 Phi -65.00 +/- 4.00 (-69.00 to -61.00)

assign (segid "GB1C" and resid   27 and name  C)
       (segid "GB1C" and resid   28 and name  N) 
       (segid "GB1C" and resid   28 and name CA)
       (segid "GB1C" and resid   28 and name  C) 1.0   -65.00     5.00 2

! 24. V 29 Phi -64.00 +/- 4.00 (-68.00 to -60.00)

assign (segid "GB1C" and resid   28 and name  C)
       (segid "GB1C" and resid   29 and name  N) 
       (segid "GB1C" and resid   29 and name CA)
       (segid "GB1C" and resid   29 and name  C) 1.0   -64.00     5.00 2  !min error bar 5 deg.

! 25. F 30 Phi -67.00 +/- 4.00 (-71.00 to -63.00)

assign (segid "GB1C" and resid   29 and name  C)
       (segid "GB1C" and resid   30 and name  N) 
       (segid "GB1C" and resid   30 and name CA)
       (segid "GB1C" and resid   30 and name  C) 1.0   -67.00     5.00 2  !min error bar 5 deg.

! 26. K 31 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1C" and resid   30 and name  C)
       (segid "GB1C" and resid   31 and name  N) 
       (segid "GB1C" and resid   31 and name CA)
       (segid "GB1C" and resid   31 and name  C) 1.0   -66.00     7.00 2

! 27. Q 32 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1C" and resid   31 and name  C)
       (segid "GB1C" and resid   32 and name  N) 
       (segid "GB1C" and resid   32 and name CA)
       (segid "GB1C" and resid   32 and name  C) 1.0   -66.00     7.00 2

! 28. Y 33 Phi -67.00 +/- 5.00 (-72.00 to -62.00)

assign (segid "GB1C" and resid   32 and name  C)
       (segid "GB1C" and resid   33 and name  N) 
       (segid "GB1C" and resid   33 and name CA)
       (segid "GB1C" and resid   33 and name  C) 1.0   -67.00     5.00 2

! 29. A 34 Phi -66.00 +/- 5.00 (-71.00 to -61.00)

assign (segid "GB1C" and resid   33 and name  C)
       (segid "GB1C" and resid   34 and name  N) 
       (segid "GB1C" and resid   34 and name CA)
       (segid "GB1C" and resid   34 and name  C) 1.0   -66.00     5.00 2

! 30. N 35 Phi -64.00 +/- 7.00 (-71.00 to -57.00)

assign (segid "GB1C" and resid   34 and name  C)
       (segid "GB1C" and resid   35 and name  N) 
       (segid "GB1C" and resid   35 and name CA)
       (segid "GB1C" and resid   35 and name  C) 1.0   -64.00     7.00 2

! 31. D 36 Phi -61.00 +/- 5.00 (-66.00 to -56.00)

assign (segid "GB1C" and resid   35 and name  C)
       (segid "GB1C" and resid   36 and name  N) 
       (segid "GB1C" and resid   36 and name CA)
       (segid "GB1C" and resid   36 and name  C) 1.0   -61.00     5.00 2

! 32. N 37 Phi -102.00 +/- 16.00 (-118.00 to -86.00)
!9 out of 10 hits, beware
assign (segid "GB1C" and resid   36 and name  C)
       (segid "GB1C" and resid   37 and name  N) 
       (segid "GB1C" and resid   37 and name CA)
       (segid "GB1C" and resid   37 and name  C) 1.0  -102.00    32.0 2  !double error 16.00 2

! 33. G 38 Phi 83.00 +/- 11.00 (72.00 to 94.00)
!8 out of 10 hits, beware !remove
!assign (segid "GB1C" and resid   37 and name  C)
!       (segid "GB1C" and resid   38 and name  N) 
!       (segid "GB1C" and resid   38 and name CA)
!       (segid "GB1C" and resid   38 and name  C) 1.0    83.00    11.00 2

! 34. V 39 Phi -101.00 +/- 20.00 (-121.00 to -81.00)

assign (segid "GB1C" and resid   38 and name  C)
       (segid "GB1C" and resid   39 and name  N) 
       (segid "GB1C" and resid   39 and name CA)
       (segid "GB1C" and resid   39 and name  C) 1.0  -101.00    20.00 2

! 35. D 40 Phi -98.00 +/- 27.00 (-125.00 to -71.00)

assign (segid "GB1C" and resid   39 and name  C)
       (segid "GB1C" and resid   40 and name  N) 
       (segid "GB1C" and resid   40 and name CA)
       (segid "GB1C" and resid   40 and name  C) 1.0   -98.00    27.00 2

!061107 insert G41 -180?51
!8 out of 10 hits, beware 
!assign (segid "GB1C" and resid   40 and name  C)
!       (segid "GB1C" and resid   41 and name  N) 
!       (segid "GB1C" and resid   41 and name CA)
!       (segid "GB1C" and resid   41 and name  C) 1.0   -180.00    51.00 2

! 36. E 42 Phi -98.00 +/- 22.00 (-120.00 to -76.00)

assign (segid "GB1C" and resid   41 and name  C)
       (segid "GB1C" and resid   42 and name  N) 
       (segid "GB1C" and resid   42 and name CA)
       (segid "GB1C" and resid   42 and name  C) 1.0   -98.00    22.00 2

! 37. W 43 Phi -122.00 +/- 16.00 (-138.00 to -106.00)
! 9 out of 10 hits, beware
assign (segid "GB1C" and resid   42 and name  C)
       (segid "GB1C" and resid   43 and name  N) 
       (segid "GB1C" and resid   43 and name CA)
       (segid "GB1C" and resid   43 and name  C) 1.0  -122.00    32.00 2 ! double error 16.00 2

! 38. T 44 Phi -133.00 +/- 23.00 (-156.00 to -110.00)

assign (segid "GB1C" and resid   43 and name  C)
       (segid "GB1C" and resid   44 and name  N) 
       (segid "GB1C" and resid   44 and name CA)
       (segid "GB1C" and resid   44 and name  C) 1.0  -133.00    23.00 2

! 39. Y 45 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
!9 out of 10, beware
assign (segid "GB1C" and resid   44 and name  C)
       (segid "GB1C" and resid   45 and name  N) 
       (segid "GB1C" and resid   45 and name CA)
       (segid "GB1C" and resid   45 and name  C) 1.0  -119.00    56.0 2 !double 28.00 2

! 40. D 46 Phi -105.00 +/- 18.00 (-123.00 to -87.00)

assign (segid "GB1C" and resid   45 and name  C)
       (segid "GB1C" and resid   46 and name  N) 
       (segid "GB1C" and resid   46 and name CA)
       (segid "GB1C" and resid   46 and name  C) 1.0  -105.00    18.00 2

!061107 insert D47 -88?22
!warning, 7 out of 10
!assign (segid "GB1C" and resid   46 and name  C)
!       (segid "GB1C" and resid   47 and name  N) 
!       (segid "GB1C" and resid   47 and name CA)
!       (segid "GB1C" and resid   47 and name  C) 1.0   -88.00    22.00 2

! 41. A 48 Phi -66.00 +/- 13.00 (-79.00 to -53.00)

assign (segid "GB1C" and resid   47 and name  C)
       (segid "GB1C" and resid   48 and name  N) 
       (segid "GB1C" and resid   48 and name CA)
       (segid "GB1C" and resid   48 and name  C) 1.0   -66.00    13.00 2

! 42. T 49 Phi -110.00 +/- 9.00 (-119.00 to -101.00)

assign (segid "GB1C" and resid   48 and name  C)
       (segid "GB1C" and resid   49 and name  N) 
       (segid "GB1C" and resid   49 and name CA)
       (segid "GB1C" and resid   49 and name  C) 1.0  -110.00     18 2 !061407 9.00 2

!K50, 5 out of 10, 58?4

! 43. T 51 Phi -105.00 +/- 43.00 (-148.00 to -62.00)
! 9 out of 10, beware 
assign (segid "GB1C" and resid   50 and name  C)
       (segid "GB1C" and resid   51 and name  N) 
       (segid "GB1C" and resid   51 and name CA)
       (segid "GB1C" and resid   51 and name  C) 1.0  -105.00    86.00 2

! 44. F 52 Phi -121.00 +/- 13.00 (-134.00 to -108.00)

assign (segid "GB1C" and resid   51 and name  C)
       (segid "GB1C" and resid   52 and name  N) 
       (segid "GB1C" and resid   52 and name CA)
       (segid "GB1C" and resid   52 and name  C) 1.0  -121.00    13.00 2

! 45. T 53 Phi -133.00 +/- 11.00 (-144.00 to -122.00)
! 9 out of 10, beware
assign (segid "GB1C" and resid   52 and name  C)
       (segid "GB1C" and resid   53 and name  N) 
       (segid "GB1C" and resid   53 and name CA)
       (segid "GB1C" and resid   53 and name  C) 1.0  -133.00    22.00 2

! 46. V 54 Phi -131.00 +/- 16.00 (-147.00 to -115.00)

assign (segid "GB1C" and resid   53 and name  C)
       (segid "GB1C" and resid   54 and name  N) 
       (segid "GB1C" and resid   54 and name CA)
       (segid "GB1C" and resid   54 and name  C) 1.0  -131.00    16.00 2

! 47. T 55 Phi -110.00 +/- 14.00 (-124.00 to -96.00)

assign (segid "GB1C" and resid   54 and name  C)
       (segid "GB1C" and resid   55 and name  N) 
       (segid "GB1C" and resid   55 and name CA)
       (segid "GB1C" and resid   55 and name  C) 1.0  -110.00    14.00 2


! 48. Q 2 Psi 136.00 +/- 13.00 (123.00 to 149.00)

assign (segid "GB1C" and resid    2 and name  N)
       (segid "GB1C" and resid    2 and name CA) 
       (segid "GB1C" and resid    2 and name  C)
       (segid "GB1C" and resid    3 and name  N) 1.0   136.00    13.00 2

! 49. Y 3 Psi 153.00 +/- 15.00 (138.00 to 168.00)

assign (segid "GB1C" and resid    3 and name  N)
       (segid "GB1C" and resid    3 and name CA) 
       (segid "GB1C" and resid    3 and name  C)
       (segid "GB1C" and resid    4 and name  N) 1.0   153.00    15.00 2

! 50. K 4 Psi 136.00 +/- 7.00 (129.00 to 143.00)

assign (segid "GB1C" and resid    4 and name  N)
       (segid "GB1C" and resid    4 and name CA) 
       (segid "GB1C" and resid    4 and name  C)
       (segid "GB1C" and resid    5 and name  N) 1.0   136.00     7.00 2

! 51. L 5 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1C" and resid    5 and name  N)
       (segid "GB1C" and resid    5 and name CA) 
       (segid "GB1C" and resid    5 and name  C)
       (segid "GB1C" and resid    6 and name  N) 1.0   122.00    16.00 2

! 52. I 6 Psi 120.00 +/- 12.00 (108.00 to 132.00)

assign (segid "GB1C" and resid    6 and name  N)
       (segid "GB1C" and resid    6 and name CA) 
       (segid "GB1C" and resid    6 and name  C)
       (segid "GB1C" and resid    7 and name  N) 1.0   120.00    12.00 2

! 53. L 7 Psi 119.00 +/- 11.00 (108.00 to 130.00)

assign (segid "GB1C" and resid    7 and name  N)
       (segid "GB1C" and resid    7 and name CA) 
       (segid "GB1C" and resid    7 and name  C)
       (segid "GB1C" and resid    8 and name  N) 1.0   119.00    11.00 2

! 54. N 8 Psi 142.00 +/- 26.00 (116.00 to 168.00)
!beware, 9 out of 10
assign (segid "GB1C" and resid    8 and name  N)
       (segid "GB1C" and resid    8 and name CA) 
       (segid "GB1C" and resid    8 and name  C)
       (segid "GB1C" and resid    9 and name  N) 1.0   142.00    52.0 2 !double  26.00 2

!G9 psi, 136?29, but only 4 out of 10
!K10 psi, 134+15, but only 5 out of 10

! 55. T 11 Psi -6.00 +/- 14.00 (-20.00 to 8.00)
!beware, 9 out of 10
assign (segid "GB1C" and resid   11 and name  N)
       (segid "GB1C" and resid   11 and name CA) 
       (segid "GB1C" and resid   11 and name  C)
       (segid "GB1C" and resid   12 and name  N) 1.0    -6.00    28.0 2 ! 14.00 2

! 56. L 12 Psi 124.00 +/- 27.00 (97.00 to 151.00)

assign (segid "GB1C" and resid   12 and name  N)
       (segid "GB1C" and resid   12 and name CA) 
       (segid "GB1C" and resid   12 and name  C)
       (segid "GB1C" and resid   13 and name  N) 1.0   124.00    27.00 2

! 57. K 13 Psi 156.00 +/- 16.00 (140.00 to 172.00)

assign (segid "GB1C" and resid   13 and name  N)
       (segid "GB1C" and resid   13 and name CA) 
       (segid "GB1C" and resid   13 and name  C)
       (segid "GB1C" and resid   14 and name  N) 1.0   156.00    16.00 2

! 58. G 14 Psi 159.00 +/- 23.00 (136.00 to 182.00)
! beware
assign (segid "GB1C" and resid   14 and name  N)
       (segid "GB1C" and resid   14 and name CA) 
       (segid "GB1C" and resid   14 and name  C)
       (segid "GB1C" and resid   15 and name  N) 1.0   159.00    46.00 2 ! double error 23.00 2

! 59. E 15 Psi 151.00 +/- 12.00 (139.00 to 163.00)

assign (segid "GB1C" and resid   15 and name  N)
       (segid "GB1C" and resid   15 and name CA) 
       (segid "GB1C" and resid   15 and name  C)
       (segid "GB1C" and resid   16 and name  N) 1.0   151.00    12.00 2

! 60. T 16 Psi 153.00 +/- 23.00 (130.00 to 176.00)

assign (segid "GB1C" and resid   16 and name  N)
       (segid "GB1C" and resid   16 and name CA) 
       (segid "GB1C" and resid   16 and name  C)
       (segid "GB1C" and resid   17 and name  N) 1.0   153.00    23.00 2

! 61. T 17 Psi 152.00 +/- 20.00 (132.00 to 172.00)

assign (segid "GB1C" and resid   17 and name  N)
       (segid "GB1C" and resid   17 and name CA) 
       (segid "GB1C" and resid   17 and name  C)
       (segid "GB1C" and resid   18 and name  N) 1.0   152.00    20.00 2

! 62. T 18 Psi 137.00 +/- 14.00 (123.00 to 151.00)

assign (segid "GB1C" and resid   18 and name  N)
       (segid "GB1C" and resid   18 and name CA) 
       (segid "GB1C" and resid   18 and name  C)
       (segid "GB1C" and resid   19 and name  N) 1.0   137.00    14.00 2

! 63. E 19 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1C" and resid   19 and name  N)
       (segid "GB1C" and resid   19 and name CA) 
       (segid "GB1C" and resid   19 and name  C)
       (segid "GB1C" and resid   20 and name  N) 1.0   122.00    16.00 2

! 64. A 20 Psi 160.00 +/- 16.00 (144.00 to 176.00)

assign (segid "GB1C" and resid   20 and name  N)
       (segid "GB1C" and resid   20 and name CA) 
       (segid "GB1C" and resid   20 and name  C)
       (segid "GB1C" and resid   21 and name  N) 1.0   160.00    16.00 2

!V21 psi -17?17, 6 out of 10
!D22 psi 156?25, 7 out of 10

! 65. A 23 Psi -35.00 +/- 11.00 (-46.00 to -24.00)

assign (segid "GB1C" and resid   23 and name  N)
       (segid "GB1C" and resid   23 and name CA) 
       (segid "GB1C" and resid   23 and name  C)
       (segid "GB1C" and resid   24 and name  N) 1.0   -35.00    11.00 2

! 66. A 24 Psi -38.00 +/- 7.00 (-45.00 to -31.00)

assign (segid "GB1C" and resid   24 and name  N)
       (segid "GB1C" and resid   24 and name CA) 
       (segid "GB1C" and resid   24 and name  C)
       (segid "GB1C" and resid   25 and name  N) 1.0   -38.00     7.00 2

! 67. T 25 Psi -38.00 +/- 8.00 (-46.00 to -30.00)

assign (segid "GB1C" and resid   25 and name  N)
       (segid "GB1C" and resid   25 and name CA) 
       (segid "GB1C" and resid   25 and name  C)
       (segid "GB1C" and resid   26 and name  N) 1.0   -38.00     8.00 2

! 68. A 26 Psi -41.00 +/- 3.00 (-44.00 to -38.00)

assign (segid "GB1C" and resid   26 and name  N)
       (segid "GB1C" and resid   26 and name CA) 
       (segid "GB1C" and resid   26 and name  C)
       (segid "GB1C" and resid   27 and name  N) 1.0   -41.00     5.0 2 !min. 5 deg. error

! 69. E 27 Psi -37.00 +/- 17.00 (-54.00 to -20.00)
assign (segid "GB1C" and resid   27 and name  N)
       (segid "GB1C" and resid   27 and name CA) 
       (segid "GB1C" and resid   27 and name  C)
       (segid "GB1C" and resid   28 and name  N) 1.0   -37.00    17.00 2 

! 70. K 28 Psi -41.00 +/- 5.00 (-46.00 to -36.00)

assign (segid "GB1C" and resid   28 and name  N)
       (segid "GB1C" and resid   28 and name CA) 
       (segid "GB1C" and resid   28 and name  C)
       (segid "GB1C" and resid   29 and name  N) 1.0   -41.00    5.0 2 

! 71. V 29 Psi -46.00 +/- 4.00 (-50.00 to -42.00)

assign (segid "GB1C" and resid   29 and name  N)
       (segid "GB1C" and resid   29 and name CA) 
       (segid "GB1C" and resid   29 and name  C)
       (segid "GB1C" and resid   30 and name  N) 1.0   -46.00    5.0 2 !min 5 deg. error

! 72. F 30 Psi -35.00 +/- 7.00 (-42.00 to -28.00)

assign (segid "GB1C" and resid   30 and name  N)
       (segid "GB1C" and resid   30 and name CA) 
       (segid "GB1C" and resid   30 and name  C)
       (segid "GB1C" and resid   31 and name  N) 1.0   -35.00     7.00 2

! 73. K 31 Psi -41.00 +/- 10.00 (-51.00 to -31.00)

assign (segid "GB1C" and resid   31 and name  N)
       (segid "GB1C" and resid   31 and name CA) 
       (segid "GB1C" and resid   31 and name  C)
       (segid "GB1C" and resid   32 and name  N) 1.0   -41.00    10.00 2

! 74. Q 32 Psi -43.00 +/- 9.00 (-52.00 to -34.00)

assign (segid "GB1C" and resid   32 and name  N)
       (segid "GB1C" and resid   32 and name CA) 
       (segid "GB1C" and resid   32 and name  C)
       (segid "GB1C" and resid   33 and name  N) 1.0   -43.00     9.00 2

! 75. Y 33 Psi -37.00 +/- 9.00 (-46.00 to -28.00)

assign (segid "GB1C" and resid   33 and name  N)
       (segid "GB1C" and resid   33 and name CA) 
       (segid "GB1C" and resid   33 and name  C)
       (segid "GB1C" and resid   34 and name  N) 1.0   -37.00     9.00 2

! 76. A 34 Psi -42.00 +/- 4.00 (-46.00 to -38.00)

assign (segid "GB1C" and resid   34 and name  N)
       (segid "GB1C" and resid   34 and name CA) 
       (segid "GB1C" and resid   34 and name  C)
       (segid "GB1C" and resid   35 and name  N) 1.0   -42.00    5.0 2 !min 5 deg. error

! 77. N 35 Psi -37.00 +/- 11.00 (-48.00 to -26.00)

assign (segid "GB1C" and resid   35 and name  N)
       (segid "GB1C" and resid   35 and name CA) 
       (segid "GB1C" and resid   35 and name  C)
       (segid "GB1C" and resid   36 and name  N) 1.0   -37.00    11.00 2

! 78. D 36 Psi -31.00 +/- 8.00 (-39.00 to -23.00)

assign (segid "GB1C" and resid   36 and name  N)
       (segid "GB1C" and resid   36 and name CA) 
       (segid "GB1C" and resid   36 and name  C)
       (segid "GB1C" and resid   37 and name  N) 1.0   -31.00     8.00 2

! 79. N 37 Psi 8.00 +/- 16.00 (-8.00 to 24.00)
!beware, 9 out of 10
assign (segid "GB1C" and resid   37 and name  N)
       (segid "GB1C" and resid   37 and name CA) 
       (segid "GB1C" and resid   37 and name  C)
       (segid "GB1C" and resid   38 and name  N) 1.0     8.00    32.0 2 !double 16.00 2

! 80. G 38 Psi 14.00 +/- 9.00 (5.00 to 23.00)
!beware, 8 out of 10
!assign (segid "GB1C" and resid   38 and name  N)
!       (segid "GB1C" and resid   38 and name CA) 
!       (segid "GB1C" and resid   38 and name  C)
!       (segid "GB1C" and resid   39 and name  N) 1.0    14.00     9.00 2!

! 81. V 39 Psi 125.00 +/- 15.00 (110.00 to 140.00)

assign (segid "GB1C" and resid   39 and name  N)
       (segid "GB1C" and resid   39 and name CA) 
       (segid "GB1C" and resid   39 and name  C)
       (segid "GB1C" and resid   40 and name  N) 1.0   125.00    15.00 2

! 82. D 40 Psi 139.00 +/- 28.00 (111.00 to 167.00)

assign (segid "GB1C" and resid   40 and name  N)
       (segid "GB1C" and resid   40 and name CA) 
       (segid "GB1C" and resid   40 and name  C)
       (segid "GB1C" and resid   41 and name  N) 1.0   139.00    28.00 2

!061107 insert G41 -173?14
!8 out of 10 hits, beware 
!assign (segid "GB1C" and resid   41 and name  N)
!       (segid "GB1C" and resid   41 and name CA) 
!       (segid "GB1C" and resid   41 and name  C)
!       (segid "GB1C" and resid   42 and name  N) 1.0  -173.00    14.00 2

! 83. E 42 Psi 133.00 +/- 16.00 (117.00 to 149.00)

assign (segid "GB1C" and resid   42 and name  N)
       (segid "GB1C" and resid   42 and name CA) 
       (segid "GB1C" and resid   42 and name  C)
       (segid "GB1C" and resid   43 and name  N) 1.0   133.00    16.00 2

! 84. W 43 Psi 160.00 +/- 10.00 (150.00 to 170.00)
!beware, 9 out of 10
assign (segid "GB1C" and resid   43 and name  N)
       (segid "GB1C" and resid   43 and name CA) 
       (segid "GB1C" and resid   43 and name  C)
       (segid "GB1C" and resid   44 and name  N) 1.0   160.00    20.0 2 !double 10.00 2

! 85. T 44 Psi 152.00 +/- 17.00 (135.00 to 169.00)

assign (segid "GB1C" and resid   44 and name  N)
       (segid "GB1C" and resid   44 and name CA) 
       (segid "GB1C" and resid   44 and name  C)
       (segid "GB1C" and resid   45 and name  N) 1.0   152.00    17.00 2

! 86. Y 45 Psi 126.00 +/- 24.00 (102.00 to 150.00)
!9 out of 10, beware
assign (segid "GB1C" and resid   45 and name  N)
       (segid "GB1C" and resid   45 and name CA) 
       (segid "GB1C" and resid   45 and name  C)
       (segid "GB1C" and resid   46 and name  N) 1.0   126.00    48.0 2 !double 24.00 2

! 87. D 46 Psi 140.00 +/- 26.00 (114.00 to 166.00)

assign (segid "GB1C" and resid   46 and name  N)
       (segid "GB1C" and resid   46 and name CA) 
       (segid "GB1C" and resid   46 and name  C)
       (segid "GB1C" and resid   47 and name  N) 1.0   140.00    26.00 2

!061107 insert D47 144?42
!8 out of 10
!assign (segid "GB1C" and resid   47 and name  N)
!       (segid "GB1C" and resid   47 and name CA) 
!       (segid "GB1C" and resid   47 and name  C)
!       (segid "GB1C" and resid   48 and name  N) 1.0   144.00    42.00 2

! 88. A 48 Psi -21.00 +/- 15.00 (-36.00 to -6.00)

assign (segid "GB1C" and resid   48 and name  N)
       (segid "GB1C" and resid   48 and name CA) 
       (segid "GB1C" and resid   48 and name  C)
       (segid "GB1C" and resid   49 and name  N) 1.0   -21.00    15.00 2

! 89. T 49 Psi 10.00 +/- 13.00 (-3.00 to 23.00)

assign (segid "GB1C" and resid   49 and name  N)
       (segid "GB1C" and resid   49 and name CA) 
       (segid "GB1C" and resid   49 and name  C)
       (segid "GB1C" and resid   50 and name  N) 1.0    10.00    13.00 2

!K50 psi 37?12, but 5 out of 10 bad

! 90. T 51 Psi 134.00 +/- 16.00 (118.00 to 150.00)
! 9 out of 10, beware 
assign (segid "GB1C" and resid   51 and name  N)
       (segid "GB1C" and resid   51 and name CA) 
       (segid "GB1C" and resid   51 and name  C)
       (segid "GB1C" and resid   52 and name  N) 1.0   134.00    32.00 2 ! double error bars 16.00 2

! 91. F 52 Psi 150.00 +/- 16.00 (134.00 to 166.00)

assign (segid "GB1C" and resid   52 and name  N)
       (segid "GB1C" and resid   52 and name CA) 
       (segid "GB1C" and resid   52 and name  C)
       (segid "GB1C" and resid   53 and name  N) 1.0   150.00    16.00 2

! 92. T 53 Psi 144.00 +/- 17.00 (127.00 to 161.00)
! 9 out of 10, beware 
assign (segid "GB1C" and resid   53 and name  N)
       (segid "GB1C" and resid   53 and name CA) 
       (segid "GB1C" and resid   53 and name  C)
       (segid "GB1C" and resid   54 and name  N) 1.0   144.00    34.00 2 ! double error bars 17.00 2

! 93. V 54 Psi 139.00 +/- 14.00 (125.00 to 153.00)

assign (segid "GB1C" and resid   54 and name  N)
       (segid "GB1C" and resid   54 and name CA) 
       (segid "GB1C" and resid   54 and name  C)
       (segid "GB1C" and resid   55 and name  N) 1.0   139.00    14.00 2

! 94. T 55 Psi 128.00 +/- 12.00 (116.00 to 140.00)

assign (segid "GB1C" and resid   55 and name  N)
       (segid "GB1C" and resid   55 and name CA) 
       (segid "GB1C" and resid   55 and name  C)
       (segid "GB1C" and resid   56 and name  N) 1.0   128.00    12.00 2
       
! 1. Q 2 Phi -109.00 +/- 17.00 (-126.00 to -92.00)

assign (segid "GB1D" and resid    1 and name  C)
       (segid "GB1D" and resid    2 and name  N) 
       (segid "GB1D" and resid    2 and name CA)
       (segid "GB1D" and resid    2 and name  C) 1.0  -109.00    17.00 2

! 2. Y 3 Phi -130.00 +/- 14.00 (-144.00 to -116.00)

assign (segid "GB1D" and resid    2 and name  C)
       (segid "GB1D" and resid    3 and name  N) 
       (segid "GB1D" and resid    3 and name CA)
       (segid "GB1D" and resid    3 and name  C) 1.0  -130.00    14.00 2

! 3. K 4 Phi -137.00 +/- 17.00 (-154.00 to -120.00)

assign (segid "GB1D" and resid    3 and name  C)
       (segid "GB1D" and resid    4 and name  N) 
       (segid "GB1D" and resid    4 and name CA)
       (segid "GB1D" and resid    4 and name  C) 1.0  -137.00    17.00 2

! 4. L 5 Phi -115.00 +/- 16.00 (-131.00 to -99.00)

assign (segid "GB1D" and resid    4 and name  C)
       (segid "GB1D" and resid    5 and name  N) 
       (segid "GB1D" and resid    5 and name CA)
       (segid "GB1D" and resid    5 and name  C) 1.0  -115.00    16.00 2

! 5. I 6 Phi -108.00 +/- 6.00 (-114.00 to -102.00)

assign (segid "GB1D" and resid    5 and name  C)
       (segid "GB1D" and resid    6 and name  N) 
       (segid "GB1D" and resid    6 and name CA)
       (segid "GB1D" and resid    6 and name  C) 1.0  -108.00     6.00 2

! 6. L 7 Phi -103.00 +/- 9.00 (-112.00 to -94.00)

assign (segid "GB1D" and resid    6 and name  C)
       (segid "GB1D" and resid    7 and name  N) 
       (segid "GB1D" and resid    7 and name CA)
       (segid "GB1D" and resid    7 and name  C) 1.0  -103.00     9.00 2

! 7. N 8 Phi -100.00 +/- 17.00 (-117.00 to -83.00)
! 9 out of 10 good hits; beware
assign (segid "GB1D" and resid    7 and name  C)
       (segid "GB1D" and resid    8 and name  N) 
       (segid "GB1D" and resid    8 and name CA)
       (segid "GB1D" and resid    8 and name  C) 1.0  -100.00    34.00 2 ! double error 17.00 2

! G9 phi missing (-85?13, but only 4 out of 10 hits)
! K10 phi missing (-68?6, but only 5 out of 10 hits)

! 8. T 11 Phi -94.00 +/- 17.00 (-111.00 to -77.00)
!9 out of 10 good hits; beware
assign (segid "GB1D" and resid   10 and name  C)
       (segid "GB1D" and resid   11 and name  N) 
       (segid "GB1D" and resid   11 and name CA)
       (segid "GB1D" and resid   11 and name  C) 1.0   -94.00    34.0 2 ! double error 17.00 2

! 9. L 12 Phi -113.00 +/- 25.00 (-138.00 to -88.00)

assign (segid "GB1D" and resid   11 and name  C)
       (segid "GB1D" and resid   12 and name  N) 
       (segid "GB1D" and resid   12 and name CA)
       (segid "GB1D" and resid   12 and name  C) 1.0  -113.00    25.00 2

! 10. K 13 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1D" and resid   12 and name  C)
       (segid "GB1D" and resid   13 and name  N) 
       (segid "GB1D" and resid   13 and name CA)
       (segid "GB1D" and resid   13 and name  C) 1.0  -134.00    10.00 2

! 11. G 14 Phi -153.00 +/- 15.00 (-168.00 to -138.00)
! ambiguous
assign (segid "GB1D" and resid   13 and name  C)
       (segid "GB1D" and resid   14 and name  N) 
       (segid "GB1D" and resid   14 and name CA)
       (segid "GB1D" and resid   14 and name  C) 1.0  -153.00    32.00 2 ! double error 16.00 2

! 12. E 15 Phi -129.00 +/- 12.00 (-141.00 to -117.00)

assign (segid "GB1D" and resid   14 and name  C)
       (segid "GB1D" and resid   15 and name  N) 
       (segid "GB1D" and resid   15 and name CA)
       (segid "GB1D" and resid   15 and name  C) 1.0  -129.00    12.00 2

! 13. T 16 Phi -125.00 +/- 21.00 (-146.00 to -104.00)

assign (segid "GB1D" and resid   15 and name  C)
       (segid "GB1D" and resid   16 and name  N) 
       (segid "GB1D" and resid   16 and name CA)
       (segid "GB1D" and resid   16 and name  C) 1.0  -125.00    21.00 2

! 14. T 17 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1D" and resid   16 and name  C)
       (segid "GB1D" and resid   17 and name  N) 
       (segid "GB1D" and resid   17 and name CA)
       (segid "GB1D" and resid   17 and name  C) 1.0  -134.00    10.00 2

! 15. T 18 Phi -130.00 +/- 25.00 (-155.00 to -105.00)

assign (segid "GB1D" and resid   17 and name  C)
       (segid "GB1D" and resid   18 and name  N) 
       (segid "GB1D" and resid   18 and name CA)
       (segid "GB1D" and resid   18 and name  C) 1.0  -130.00    25.00 2

! 16. E 19 Phi -117.00 +/- 10.00 (-127.00 to -107.00)

assign (segid "GB1D" and resid   18 and name  C)
       (segid "GB1D" and resid   19 and name  N) 
       (segid "GB1D" and resid   19 and name CA)
       (segid "GB1D" and resid   19 and name  C) 1.0  -117.00    10.00 2

! 17. A 20 Phi -124.00 +/- 28.00 (-152.00 to -96.00)

assign (segid "GB1D" and resid   19 and name  C)
       (segid "GB1D" and resid   20 and name  N) 
       (segid "GB1D" and resid   20 and name CA)
       (segid "GB1D" and resid   20 and name  C) 1.0  -124.00    28.00 2

!V21 -82?13 but only 6 out of 10 hits, so leave out
!D22 -130?21 but only 7 out of 10 hits, so leave out

! 18. A 23 Phi -63.00 +/- 10.00 (-73.00 to -53.00)

assign (segid "GB1D" and resid   22 and name  C)
       (segid "GB1D" and resid   23 and name  N) 
       (segid "GB1D" and resid   23 and name CA)
       (segid "GB1D" and resid   23 and name  C) 1.0   -63.00    10.00 2

! 19. A 24 Phi -65.00 +/- 6.00 (-71.00 to -59.00)

assign (segid "GB1D" and resid   23 and name  C)
       (segid "GB1D" and resid   24 and name  N) 
       (segid "GB1D" and resid   24 and name CA)
       (segid "GB1D" and resid   24 and name  C) 1.0   -65.00     6.00 2

! 20. T 25 Phi -66.00 +/- 9.00 (-75.00 to -57.00)

assign (segid "GB1D" and resid   24 and name  C)
       (segid "GB1D" and resid   25 and name  N) 
       (segid "GB1D" and resid   25 and name CA)
       (segid "GB1D" and resid   25 and name  C) 1.0   -66.00     9.00 2

! 21. A 26 Phi -62.00 +/- 5.00 (-67.00 to -57.00)

assign (segid "GB1D" and resid   25 and name  C)
       (segid "GB1D" and resid   26 and name  N) 
       (segid "GB1D" and resid   26 and name CA)
       (segid "GB1D" and resid   26 and name  C) 1.0   -62.00     5.00 2

! 22. E 27 Phi -66.00 +/- 8.00 (-74.00 to -58.00)
assign (segid "GB1D" and resid   26 and name  C)
       (segid "GB1D" and resid   27 and name  N) 
       (segid "GB1D" and resid   27 and name CA)
       (segid "GB1D" and resid   27 and name  C) 1.0   -66.00     8.00 2 

! 23. K 28 Phi -65.00 +/- 4.00 (-69.00 to -61.00)

assign (segid "GB1D" and resid   27 and name  C)
       (segid "GB1D" and resid   28 and name  N) 
       (segid "GB1D" and resid   28 and name CA)
       (segid "GB1D" and resid   28 and name  C) 1.0   -65.00     5.00 2

! 24. V 29 Phi -64.00 +/- 4.00 (-68.00 to -60.00)

assign (segid "GB1D" and resid   28 and name  C)
       (segid "GB1D" and resid   29 and name  N) 
       (segid "GB1D" and resid   29 and name CA)
       (segid "GB1D" and resid   29 and name  C) 1.0   -64.00     5.00 2  !min error bar 5 deg.

! 25. F 30 Phi -67.00 +/- 4.00 (-71.00 to -63.00)

assign (segid "GB1D" and resid   29 and name  C)
       (segid "GB1D" and resid   30 and name  N) 
       (segid "GB1D" and resid   30 and name CA)
       (segid "GB1D" and resid   30 and name  C) 1.0   -67.00     5.00 2  !min error bar 5 deg.

! 26. K 31 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1D" and resid   30 and name  C)
       (segid "GB1D" and resid   31 and name  N) 
       (segid "GB1D" and resid   31 and name CA)
       (segid "GB1D" and resid   31 and name  C) 1.0   -66.00     7.00 2

! 27. Q 32 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1D" and resid   31 and name  C)
       (segid "GB1D" and resid   32 and name  N) 
       (segid "GB1D" and resid   32 and name CA)
       (segid "GB1D" and resid   32 and name  C) 1.0   -66.00     7.00 2

! 28. Y 33 Phi -67.00 +/- 5.00 (-72.00 to -62.00)

assign (segid "GB1D" and resid   32 and name  C)
       (segid "GB1D" and resid   33 and name  N) 
       (segid "GB1D" and resid   33 and name CA)
       (segid "GB1D" and resid   33 and name  C) 1.0   -67.00     5.00 2

! 29. A 34 Phi -66.00 +/- 5.00 (-71.00 to -61.00)

assign (segid "GB1D" and resid   33 and name  C)
       (segid "GB1D" and resid   34 and name  N) 
       (segid "GB1D" and resid   34 and name CA)
       (segid "GB1D" and resid   34 and name  C) 1.0   -66.00     5.00 2

! 30. N 35 Phi -64.00 +/- 7.00 (-71.00 to -57.00)

assign (segid "GB1D" and resid   34 and name  C)
       (segid "GB1D" and resid   35 and name  N) 
       (segid "GB1D" and resid   35 and name CA)
       (segid "GB1D" and resid   35 and name  C) 1.0   -64.00     7.00 2

! 31. D 36 Phi -61.00 +/- 5.00 (-66.00 to -56.00)

assign (segid "GB1D" and resid   35 and name  C)
       (segid "GB1D" and resid   36 and name  N) 
       (segid "GB1D" and resid   36 and name CA)
       (segid "GB1D" and resid   36 and name  C) 1.0   -61.00     5.00 2

! 32. N 37 Phi -102.00 +/- 16.00 (-118.00 to -86.00)
!9 out of 10 hits, beware
assign (segid "GB1D" and resid   36 and name  C)
       (segid "GB1D" and resid   37 and name  N) 
       (segid "GB1D" and resid   37 and name CA)
       (segid "GB1D" and resid   37 and name  C) 1.0  -102.00    32.0 2  !double error 16.00 2

! 33. G 38 Phi 83.00 +/- 11.00 (72.00 to 94.00)
!8 out of 10 hits, beware !remove
!assign (segid "GB1D" and resid   37 and name  C)
!       (segid "GB1D" and resid   38 and name  N) 
!       (segid "GB1D" and resid   38 and name CA)
!       (segid "GB1D" and resid   38 and name  C) 1.0    83.00    11.00 2

! 34. V 39 Phi -101.00 +/- 20.00 (-121.00 to -81.00)

assign (segid "GB1D" and resid   38 and name  C)
       (segid "GB1D" and resid   39 and name  N) 
       (segid "GB1D" and resid   39 and name CA)
       (segid "GB1D" and resid   39 and name  C) 1.0  -101.00    20.00 2

! 35. D 40 Phi -98.00 +/- 27.00 (-125.00 to -71.00)

assign (segid "GB1D" and resid   39 and name  C)
       (segid "GB1D" and resid   40 and name  N) 
       (segid "GB1D" and resid   40 and name CA)
       (segid "GB1D" and resid   40 and name  C) 1.0   -98.00    27.00 2

!061107 insert G41 -180?51
!8 out of 10 hits, beware 
!assign (segid "GB1D" and resid   40 and name  C)
!       (segid "GB1D" and resid   41 and name  N) 
!       (segid "GB1D" and resid   41 and name CA)
!       (segid "GB1D" and resid   41 and name  C) 1.0   -180.00    51.00 2

! 36. E 42 Phi -98.00 +/- 22.00 (-120.00 to -76.00)

assign (segid "GB1D" and resid   41 and name  C)
       (segid "GB1D" and resid   42 and name  N) 
       (segid "GB1D" and resid   42 and name CA)
       (segid "GB1D" and resid   42 and name  C) 1.0   -98.00    22.00 2

! 37. W 43 Phi -122.00 +/- 16.00 (-138.00 to -106.00)
! 9 out of 10 hits, beware
assign (segid "GB1D" and resid   42 and name  C)
       (segid "GB1D" and resid   43 and name  N) 
       (segid "GB1D" and resid   43 and name CA)
       (segid "GB1D" and resid   43 and name  C) 1.0  -122.00    32.00 2 ! double error 16.00 2

! 38. T 44 Phi -133.00 +/- 23.00 (-156.00 to -110.00)

assign (segid "GB1D" and resid   43 and name  C)
       (segid "GB1D" and resid   44 and name  N) 
       (segid "GB1D" and resid   44 and name CA)
       (segid "GB1D" and resid   44 and name  C) 1.0  -133.00    23.00 2

! 39. Y 45 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
!9 out of 10, beware
assign (segid "GB1D" and resid   44 and name  C)
       (segid "GB1D" and resid   45 and name  N) 
       (segid "GB1D" and resid   45 and name CA)
       (segid "GB1D" and resid   45 and name  C) 1.0  -119.00    56.0 2 !double 28.00 2

! 40. D 46 Phi -105.00 +/- 18.00 (-123.00 to -87.00)

assign (segid "GB1D" and resid   45 and name  C)
       (segid "GB1D" and resid   46 and name  N) 
       (segid "GB1D" and resid   46 and name CA)
       (segid "GB1D" and resid   46 and name  C) 1.0  -105.00    18.00 2

!061107 insert D47 -88?22
!warning, 7 out of 10
!assign (segid "GB1D" and resid   46 and name  C)
!       (segid "GB1D" and resid   47 and name  N) 
!       (segid "GB1D" and resid   47 and name CA)
!       (segid "GB1D" and resid   47 and name  C) 1.0   -88.00    22.00 2

! 41. A 48 Phi -66.00 +/- 13.00 (-79.00 to -53.00)

assign (segid "GB1D" and resid   47 and name  C)
       (segid "GB1D" and resid   48 and name  N) 
       (segid "GB1D" and resid   48 and name CA)
       (segid "GB1D" and resid   48 and name  C) 1.0   -66.00    13.00 2

! 42. T 49 Phi -110.00 +/- 9.00 (-119.00 to -101.00)

assign (segid "GB1D" and resid   48 and name  C)
       (segid "GB1D" and resid   49 and name  N) 
       (segid "GB1D" and resid   49 and name CA)
       (segid "GB1D" and resid   49 and name  C) 1.0  -110.00     18 2 !061407 9.00 2

!K50, 5 out of 10, 58?4

! 43. T 51 Phi -105.00 +/- 43.00 (-148.00 to -62.00)
! 9 out of 10, beware 
assign (segid "GB1D" and resid   50 and name  C)
       (segid "GB1D" and resid   51 and name  N) 
       (segid "GB1D" and resid   51 and name CA)
       (segid "GB1D" and resid   51 and name  C) 1.0  -105.00    86.00 2

! 44. F 52 Phi -121.00 +/- 13.00 (-134.00 to -108.00)

assign (segid "GB1D" and resid   51 and name  C)
       (segid "GB1D" and resid   52 and name  N) 
       (segid "GB1D" and resid   52 and name CA)
       (segid "GB1D" and resid   52 and name  C) 1.0  -121.00    13.00 2

! 45. T 53 Phi -133.00 +/- 11.00 (-144.00 to -122.00)
! 9 out of 10, beware
assign (segid "GB1D" and resid   52 and name  C)
       (segid "GB1D" and resid   53 and name  N) 
       (segid "GB1D" and resid   53 and name CA)
       (segid "GB1D" and resid   53 and name  C) 1.0  -133.00    22.00 2

! 46. V 54 Phi -131.00 +/- 16.00 (-147.00 to -115.00)

assign (segid "GB1D" and resid   53 and name  C)
       (segid "GB1D" and resid   54 and name  N) 
       (segid "GB1D" and resid   54 and name CA)
       (segid "GB1D" and resid   54 and name  C) 1.0  -131.00    16.00 2

! 47. T 55 Phi -110.00 +/- 14.00 (-124.00 to -96.00)

assign (segid "GB1D" and resid   54 and name  C)
       (segid "GB1D" and resid   55 and name  N) 
       (segid "GB1D" and resid   55 and name CA)
       (segid "GB1D" and resid   55 and name  C) 1.0  -110.00    14.00 2


! 48. Q 2 Psi 136.00 +/- 13.00 (123.00 to 149.00)

assign (segid "GB1D" and resid    2 and name  N)
       (segid "GB1D" and resid    2 and name CA) 
       (segid "GB1D" and resid    2 and name  C)
       (segid "GB1D" and resid    3 and name  N) 1.0   136.00    13.00 2

! 49. Y 3 Psi 153.00 +/- 15.00 (138.00 to 168.00)

assign (segid "GB1D" and resid    3 and name  N)
       (segid "GB1D" and resid    3 and name CA) 
       (segid "GB1D" and resid    3 and name  C)
       (segid "GB1D" and resid    4 and name  N) 1.0   153.00    15.00 2

! 50. K 4 Psi 136.00 +/- 7.00 (129.00 to 143.00)

assign (segid "GB1D" and resid    4 and name  N)
       (segid "GB1D" and resid    4 and name CA) 
       (segid "GB1D" and resid    4 and name  C)
       (segid "GB1D" and resid    5 and name  N) 1.0   136.00     7.00 2

! 51. L 5 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1D" and resid    5 and name  N)
       (segid "GB1D" and resid    5 and name CA) 
       (segid "GB1D" and resid    5 and name  C)
       (segid "GB1D" and resid    6 and name  N) 1.0   122.00    16.00 2

! 52. I 6 Psi 120.00 +/- 12.00 (108.00 to 132.00)

assign (segid "GB1D" and resid    6 and name  N)
       (segid "GB1D" and resid    6 and name CA) 
       (segid "GB1D" and resid    6 and name  C)
       (segid "GB1D" and resid    7 and name  N) 1.0   120.00    12.00 2

! 53. L 7 Psi 119.00 +/- 11.00 (108.00 to 130.00)

assign (segid "GB1D" and resid    7 and name  N)
       (segid "GB1D" and resid    7 and name CA) 
       (segid "GB1D" and resid    7 and name  C)
       (segid "GB1D" and resid    8 and name  N) 1.0   119.00    11.00 2

! 54. N 8 Psi 142.00 +/- 26.00 (116.00 to 168.00)
!beware, 9 out of 10
assign (segid "GB1D" and resid    8 and name  N)
       (segid "GB1D" and resid    8 and name CA) 
       (segid "GB1D" and resid    8 and name  C)
       (segid "GB1D" and resid    9 and name  N) 1.0   142.00    52.0 2 !double  26.00 2

!G9 psi, 136?29, but only 4 out of 10
!K10 psi, 134+15, but only 5 out of 10

! 55. T 11 Psi -6.00 +/- 14.00 (-20.00 to 8.00)
!beware, 9 out of 10
assign (segid "GB1D" and resid   11 and name  N)
       (segid "GB1D" and resid   11 and name CA) 
       (segid "GB1D" and resid   11 and name  C)
       (segid "GB1D" and resid   12 and name  N) 1.0    -6.00    28.0 2 ! 14.00 2

! 56. L 12 Psi 124.00 +/- 27.00 (97.00 to 151.00)

assign (segid "GB1D" and resid   12 and name  N)
       (segid "GB1D" and resid   12 and name CA) 
       (segid "GB1D" and resid   12 and name  C)
       (segid "GB1D" and resid   13 and name  N) 1.0   124.00    27.00 2

! 57. K 13 Psi 156.00 +/- 16.00 (140.00 to 172.00)

assign (segid "GB1D" and resid   13 and name  N)
       (segid "GB1D" and resid   13 and name CA) 
       (segid "GB1D" and resid   13 and name  C)
       (segid "GB1D" and resid   14 and name  N) 1.0   156.00    16.00 2

! 58. G 14 Psi 159.00 +/- 23.00 (136.00 to 182.00)
! beware
assign (segid "GB1D" and resid   14 and name  N)
       (segid "GB1D" and resid   14 and name CA) 
       (segid "GB1D" and resid   14 and name  C)
       (segid "GB1D" and resid   15 and name  N) 1.0   159.00    46.00 2 ! double error 23.00 2

! 59. E 15 Psi 151.00 +/- 12.00 (139.00 to 163.00)

assign (segid "GB1D" and resid   15 and name  N)
       (segid "GB1D" and resid   15 and name CA) 
       (segid "GB1D" and resid   15 and name  C)
       (segid "GB1D" and resid   16 and name  N) 1.0   151.00    12.00 2

! 60. T 16 Psi 153.00 +/- 23.00 (130.00 to 176.00)

assign (segid "GB1D" and resid   16 and name  N)
       (segid "GB1D" and resid   16 and name CA) 
       (segid "GB1D" and resid   16 and name  C)
       (segid "GB1D" and resid   17 and name  N) 1.0   153.00    23.00 2

! 61. T 17 Psi 152.00 +/- 20.00 (132.00 to 172.00)

assign (segid "GB1D" and resid   17 and name  N)
       (segid "GB1D" and resid   17 and name CA) 
       (segid "GB1D" and resid   17 and name  C)
       (segid "GB1D" and resid   18 and name  N) 1.0   152.00    20.00 2

! 62. T 18 Psi 137.00 +/- 14.00 (123.00 to 151.00)

assign (segid "GB1D" and resid   18 and name  N)
       (segid "GB1D" and resid   18 and name CA) 
       (segid "GB1D" and resid   18 and name  C)
       (segid "GB1D" and resid   19 and name  N) 1.0   137.00    14.00 2

! 63. E 19 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1D" and resid   19 and name  N)
       (segid "GB1D" and resid   19 and name CA) 
       (segid "GB1D" and resid   19 and name  C)
       (segid "GB1D" and resid   20 and name  N) 1.0   122.00    16.00 2

! 64. A 20 Psi 160.00 +/- 16.00 (144.00 to 176.00)

assign (segid "GB1D" and resid   20 and name  N)
       (segid "GB1D" and resid   20 and name CA) 
       (segid "GB1D" and resid   20 and name  C)
       (segid "GB1D" and resid   21 and name  N) 1.0   160.00    16.00 2

!V21 psi -17?17, 6 out of 10
!D22 psi 156?25, 7 out of 10

! 65. A 23 Psi -35.00 +/- 11.00 (-46.00 to -24.00)

assign (segid "GB1D" and resid   23 and name  N)
       (segid "GB1D" and resid   23 and name CA) 
       (segid "GB1D" and resid   23 and name  C)
       (segid "GB1D" and resid   24 and name  N) 1.0   -35.00    11.00 2

! 66. A 24 Psi -38.00 +/- 7.00 (-45.00 to -31.00)

assign (segid "GB1D" and resid   24 and name  N)
       (segid "GB1D" and resid   24 and name CA) 
       (segid "GB1D" and resid   24 and name  C)
       (segid "GB1D" and resid   25 and name  N) 1.0   -38.00     7.00 2

! 67. T 25 Psi -38.00 +/- 8.00 (-46.00 to -30.00)

assign (segid "GB1D" and resid   25 and name  N)
       (segid "GB1D" and resid   25 and name CA) 
       (segid "GB1D" and resid   25 and name  C)
       (segid "GB1D" and resid   26 and name  N) 1.0   -38.00     8.00 2

! 68. A 26 Psi -41.00 +/- 3.00 (-44.00 to -38.00)

assign (segid "GB1D" and resid   26 and name  N)
       (segid "GB1D" and resid   26 and name CA) 
       (segid "GB1D" and resid   26 and name  C)
       (segid "GB1D" and resid   27 and name  N) 1.0   -41.00     5.0 2 !min. 5 deg. error

! 69. E 27 Psi -37.00 +/- 17.00 (-54.00 to -20.00)
assign (segid "GB1D" and resid   27 and name  N)
       (segid "GB1D" and resid   27 and name CA) 
       (segid "GB1D" and resid   27 and name  C)
       (segid "GB1D" and resid   28 and name  N) 1.0   -37.00    17.00 2 

! 70. K 28 Psi -41.00 +/- 5.00 (-46.00 to -36.00)

assign (segid "GB1D" and resid   28 and name  N)
       (segid "GB1D" and resid   28 and name CA) 
       (segid "GB1D" and resid   28 and name  C)
       (segid "GB1D" and resid   29 and name  N) 1.0   -41.00    5.0 2 

! 71. V 29 Psi -46.00 +/- 4.00 (-50.00 to -42.00)

assign (segid "GB1D" and resid   29 and name  N)
       (segid "GB1D" and resid   29 and name CA) 
       (segid "GB1D" and resid   29 and name  C)
       (segid "GB1D" and resid   30 and name  N) 1.0   -46.00    5.0 2 !min 5 deg. error

! 72. F 30 Psi -35.00 +/- 7.00 (-42.00 to -28.00)

assign (segid "GB1D" and resid   30 and name  N)
       (segid "GB1D" and resid   30 and name CA) 
       (segid "GB1D" and resid   30 and name  C)
       (segid "GB1D" and resid   31 and name  N) 1.0   -35.00     7.00 2

! 73. K 31 Psi -41.00 +/- 10.00 (-51.00 to -31.00)

assign (segid "GB1D" and resid   31 and name  N)
       (segid "GB1D" and resid   31 and name CA) 
       (segid "GB1D" and resid   31 and name  C)
       (segid "GB1D" and resid   32 and name  N) 1.0   -41.00    10.00 2

! 74. Q 32 Psi -43.00 +/- 9.00 (-52.00 to -34.00)

assign (segid "GB1D" and resid   32 and name  N)
       (segid "GB1D" and resid   32 and name CA) 
       (segid "GB1D" and resid   32 and name  C)
       (segid "GB1D" and resid   33 and name  N) 1.0   -43.00     9.00 2

! 75. Y 33 Psi -37.00 +/- 9.00 (-46.00 to -28.00)

assign (segid "GB1D" and resid   33 and name  N)
       (segid "GB1D" and resid   33 and name CA) 
       (segid "GB1D" and resid   33 and name  C)
       (segid "GB1D" and resid   34 and name  N) 1.0   -37.00     9.00 2

! 76. A 34 Psi -42.00 +/- 4.00 (-46.00 to -38.00)

assign (segid "GB1D" and resid   34 and name  N)
       (segid "GB1D" and resid   34 and name CA) 
       (segid "GB1D" and resid   34 and name  C)
       (segid "GB1D" and resid   35 and name  N) 1.0   -42.00    5.0 2 !min 5 deg. error

! 77. N 35 Psi -37.00 +/- 11.00 (-48.00 to -26.00)

assign (segid "GB1D" and resid   35 and name  N)
       (segid "GB1D" and resid   35 and name CA) 
       (segid "GB1D" and resid   35 and name  C)
       (segid "GB1D" and resid   36 and name  N) 1.0   -37.00    11.00 2

! 78. D 36 Psi -31.00 +/- 8.00 (-39.00 to -23.00)

assign (segid "GB1D" and resid   36 and name  N)
       (segid "GB1D" and resid   36 and name CA) 
       (segid "GB1D" and resid   36 and name  C)
       (segid "GB1D" and resid   37 and name  N) 1.0   -31.00     8.00 2

! 79. N 37 Psi 8.00 +/- 16.00 (-8.00 to 24.00)
!beware, 9 out of 10
assign (segid "GB1D" and resid   37 and name  N)
       (segid "GB1D" and resid   37 and name CA) 
       (segid "GB1D" and resid   37 and name  C)
       (segid "GB1D" and resid   38 and name  N) 1.0     8.00    32.0 2 !double 16.00 2

! 80. G 38 Psi 14.00 +/- 9.00 (5.00 to 23.00)
!beware, 8 out of 10
!assign (segid "GB1D" and resid   38 and name  N)
!       (segid "GB1D" and resid   38 and name CA) 
!       (segid "GB1D" and resid   38 and name  C)
!       (segid "GB1D" and resid   39 and name  N) 1.0    14.00     9.00 2!

! 81. V 39 Psi 125.00 +/- 15.00 (110.00 to 140.00)

assign (segid "GB1D" and resid   39 and name  N)
       (segid "GB1D" and resid   39 and name CA) 
       (segid "GB1D" and resid   39 and name  C)
       (segid "GB1D" and resid   40 and name  N) 1.0   125.00    15.00 2

! 82. D 40 Psi 139.00 +/- 28.00 (111.00 to 167.00)

assign (segid "GB1D" and resid   40 and name  N)
       (segid "GB1D" and resid   40 and name CA) 
       (segid "GB1D" and resid   40 and name  C)
       (segid "GB1D" and resid   41 and name  N) 1.0   139.00    28.00 2

!061107 insert G41 -173?14
!8 out of 10 hits, beware 
!assign (segid "GB1D" and resid   41 and name  N)
!       (segid "GB1D" and resid   41 and name CA) 
!       (segid "GB1D" and resid   41 and name  C)
!       (segid "GB1D" and resid   42 and name  N) 1.0  -173.00    14.00 2

! 83. E 42 Psi 133.00 +/- 16.00 (117.00 to 149.00)

assign (segid "GB1D" and resid   42 and name  N)
       (segid "GB1D" and resid   42 and name CA) 
       (segid "GB1D" and resid   42 and name  C)
       (segid "GB1D" and resid   43 and name  N) 1.0   133.00    16.00 2

! 84. W 43 Psi 160.00 +/- 10.00 (150.00 to 170.00)
!beware, 9 out of 10
assign (segid "GB1D" and resid   43 and name  N)
       (segid "GB1D" and resid   43 and name CA) 
       (segid "GB1D" and resid   43 and name  C)
       (segid "GB1D" and resid   44 and name  N) 1.0   160.00    20.0 2 !double 10.00 2

! 85. T 44 Psi 152.00 +/- 17.00 (135.00 to 169.00)

assign (segid "GB1D" and resid   44 and name  N)
       (segid "GB1D" and resid   44 and name CA) 
       (segid "GB1D" and resid   44 and name  C)
       (segid "GB1D" and resid   45 and name  N) 1.0   152.00    17.00 2

! 86. Y 45 Psi 126.00 +/- 24.00 (102.00 to 150.00)
!9 out of 10, beware
assign (segid "GB1D" and resid   45 and name  N)
       (segid "GB1D" and resid   45 and name CA) 
       (segid "GB1D" and resid   45 and name  C)
       (segid "GB1D" and resid   46 and name  N) 1.0   126.00    48.0 2 !double 24.00 2

! 87. D 46 Psi 140.00 +/- 26.00 (114.00 to 166.00)

assign (segid "GB1D" and resid   46 and name  N)
       (segid "GB1D" and resid   46 and name CA) 
       (segid "GB1D" and resid   46 and name  C)
       (segid "GB1D" and resid   47 and name  N) 1.0   140.00    26.00 2

!061107 insert D47 144?42
!8 out of 10
!assign (segid "GB1D" and resid   47 and name  N)
!       (segid "GB1D" and resid   47 and name CA) 
!       (segid "GB1D" and resid   47 and name  C)
!       (segid "GB1D" and resid   48 and name  N) 1.0   144.00    42.00 2

! 88. A 48 Psi -21.00 +/- 15.00 (-36.00 to -6.00)

assign (segid "GB1D" and resid   48 and name  N)
       (segid "GB1D" and resid   48 and name CA) 
       (segid "GB1D" and resid   48 and name  C)
       (segid "GB1D" and resid   49 and name  N) 1.0   -21.00    15.00 2

! 89. T 49 Psi 10.00 +/- 13.00 (-3.00 to 23.00)

assign (segid "GB1D" and resid   49 and name  N)
       (segid "GB1D" and resid   49 and name CA) 
       (segid "GB1D" and resid   49 and name  C)
       (segid "GB1D" and resid   50 and name  N) 1.0    10.00    13.00 2

!K50 psi 37?12, but 5 out of 10 bad

! 90. T 51 Psi 134.00 +/- 16.00 (118.00 to 150.00)
! 9 out of 10, beware 
assign (segid "GB1D" and resid   51 and name  N)
       (segid "GB1D" and resid   51 and name CA) 
       (segid "GB1D" and resid   51 and name  C)
       (segid "GB1D" and resid   52 and name  N) 1.0   134.00    32.00 2 ! double error bars 16.00 2

! 91. F 52 Psi 150.00 +/- 16.00 (134.00 to 166.00)

assign (segid "GB1D" and resid   52 and name  N)
       (segid "GB1D" and resid   52 and name CA) 
       (segid "GB1D" and resid   52 and name  C)
       (segid "GB1D" and resid   53 and name  N) 1.0   150.00    16.00 2

! 92. T 53 Psi 144.00 +/- 17.00 (127.00 to 161.00)
! 9 out of 10, beware 
assign (segid "GB1D" and resid   53 and name  N)
       (segid "GB1D" and resid   53 and name CA) 
       (segid "GB1D" and resid   53 and name  C)
       (segid "GB1D" and resid   54 and name  N) 1.0   144.00    34.00 2 ! double error bars 17.00 2

! 93. V 54 Psi 139.00 +/- 14.00 (125.00 to 153.00)

assign (segid "GB1D" and resid   54 and name  N)
       (segid "GB1D" and resid   54 and name CA) 
       (segid "GB1D" and resid   54 and name  C)
       (segid "GB1D" and resid   55 and name  N) 1.0   139.00    14.00 2

! 94. T 55 Psi 128.00 +/- 12.00 (116.00 to 140.00)

assign (segid "GB1D" and resid   55 and name  N)
       (segid "GB1D" and resid   55 and name CA) 
       (segid "GB1D" and resid   55 and name  C)
       (segid "GB1D" and resid   56 and name  N) 1.0   128.00    12.00 2
       
! 1. Q 2 Phi -109.00 +/- 17.00 (-126.00 to -92.00)

assign (segid "GB1E" and resid    1 and name  C)
       (segid "GB1E" and resid    2 and name  N) 
       (segid "GB1E" and resid    2 and name CA)
       (segid "GB1E" and resid    2 and name  C) 1.0  -109.00    17.00 2

! 2. Y 3 Phi -130.00 +/- 14.00 (-144.00 to -116.00)

assign (segid "GB1E" and resid    2 and name  C)
       (segid "GB1E" and resid    3 and name  N) 
       (segid "GB1E" and resid    3 and name CA)
       (segid "GB1E" and resid    3 and name  C) 1.0  -130.00    14.00 2

! 3. K 4 Phi -137.00 +/- 17.00 (-154.00 to -120.00)

assign (segid "GB1E" and resid    3 and name  C)
       (segid "GB1E" and resid    4 and name  N) 
       (segid "GB1E" and resid    4 and name CA)
       (segid "GB1E" and resid    4 and name  C) 1.0  -137.00    17.00 2

! 4. L 5 Phi -115.00 +/- 16.00 (-131.00 to -99.00)

assign (segid "GB1E" and resid    4 and name  C)
       (segid "GB1E" and resid    5 and name  N) 
       (segid "GB1E" and resid    5 and name CA)
       (segid "GB1E" and resid    5 and name  C) 1.0  -115.00    16.00 2

! 5. I 6 Phi -108.00 +/- 6.00 (-114.00 to -102.00)

assign (segid "GB1E" and resid    5 and name  C)
       (segid "GB1E" and resid    6 and name  N) 
       (segid "GB1E" and resid    6 and name CA)
       (segid "GB1E" and resid    6 and name  C) 1.0  -108.00     6.00 2

! 6. L 7 Phi -103.00 +/- 9.00 (-112.00 to -94.00)

assign (segid "GB1E" and resid    6 and name  C)
       (segid "GB1E" and resid    7 and name  N) 
       (segid "GB1E" and resid    7 and name CA)
       (segid "GB1E" and resid    7 and name  C) 1.0  -103.00     9.00 2

! 7. N 8 Phi -100.00 +/- 17.00 (-117.00 to -83.00)
! 9 out of 10 good hits; beware
assign (segid "GB1E" and resid    7 and name  C)
       (segid "GB1E" and resid    8 and name  N) 
       (segid "GB1E" and resid    8 and name CA)
       (segid "GB1E" and resid    8 and name  C) 1.0  -100.00    34.00 2 ! double error 17.00 2

! G9 phi missing (-85?13, but only 4 out of 10 hits)
! K10 phi missing (-68?6, but only 5 out of 10 hits)

! 8. T 11 Phi -94.00 +/- 17.00 (-111.00 to -77.00)
!9 out of 10 good hits; beware
assign (segid "GB1E" and resid   10 and name  C)
       (segid "GB1E" and resid   11 and name  N) 
       (segid "GB1E" and resid   11 and name CA)
       (segid "GB1E" and resid   11 and name  C) 1.0   -94.00    34.0 2 ! double error 17.00 2

! 9. L 12 Phi -113.00 +/- 25.00 (-138.00 to -88.00)

assign (segid "GB1E" and resid   11 and name  C)
       (segid "GB1E" and resid   12 and name  N) 
       (segid "GB1E" and resid   12 and name CA)
       (segid "GB1E" and resid   12 and name  C) 1.0  -113.00    25.00 2

! 10. K 13 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1E" and resid   12 and name  C)
       (segid "GB1E" and resid   13 and name  N) 
       (segid "GB1E" and resid   13 and name CA)
       (segid "GB1E" and resid   13 and name  C) 1.0  -134.00    10.00 2

! 11. G 14 Phi -153.00 +/- 15.00 (-168.00 to -138.00)
! ambiguous
assign (segid "GB1E" and resid   13 and name  C)
       (segid "GB1E" and resid   14 and name  N) 
       (segid "GB1E" and resid   14 and name CA)
       (segid "GB1E" and resid   14 and name  C) 1.0  -153.00    32.00 2 ! double error 16.00 2

! 12. E 15 Phi -129.00 +/- 12.00 (-141.00 to -117.00)

assign (segid "GB1E" and resid   14 and name  C)
       (segid "GB1E" and resid   15 and name  N) 
       (segid "GB1E" and resid   15 and name CA)
       (segid "GB1E" and resid   15 and name  C) 1.0  -129.00    12.00 2

! 13. T 16 Phi -125.00 +/- 21.00 (-146.00 to -104.00)

assign (segid "GB1E" and resid   15 and name  C)
       (segid "GB1E" and resid   16 and name  N) 
       (segid "GB1E" and resid   16 and name CA)
       (segid "GB1E" and resid   16 and name  C) 1.0  -125.00    21.00 2

! 14. T 17 Phi -134.00 +/- 10.00 (-144.00 to -124.00)

assign (segid "GB1E" and resid   16 and name  C)
       (segid "GB1E" and resid   17 and name  N) 
       (segid "GB1E" and resid   17 and name CA)
       (segid "GB1E" and resid   17 and name  C) 1.0  -134.00    10.00 2

! 15. T 18 Phi -130.00 +/- 25.00 (-155.00 to -105.00)

assign (segid "GB1E" and resid   17 and name  C)
       (segid "GB1E" and resid   18 and name  N) 
       (segid "GB1E" and resid   18 and name CA)
       (segid "GB1E" and resid   18 and name  C) 1.0  -130.00    25.00 2

! 16. E 19 Phi -117.00 +/- 10.00 (-127.00 to -107.00)

assign (segid "GB1E" and resid   18 and name  C)
       (segid "GB1E" and resid   19 and name  N) 
       (segid "GB1E" and resid   19 and name CA)
       (segid "GB1E" and resid   19 and name  C) 1.0  -117.00    10.00 2

! 17. A 20 Phi -124.00 +/- 28.00 (-152.00 to -96.00)

assign (segid "GB1E" and resid   19 and name  C)
       (segid "GB1E" and resid   20 and name  N) 
       (segid "GB1E" and resid   20 and name CA)
       (segid "GB1E" and resid   20 and name  C) 1.0  -124.00    28.00 2

!V21 -82?13 but only 6 out of 10 hits, so leave out
!D22 -130?21 but only 7 out of 10 hits, so leave out

! 18. A 23 Phi -63.00 +/- 10.00 (-73.00 to -53.00)

assign (segid "GB1E" and resid   22 and name  C)
       (segid "GB1E" and resid   23 and name  N) 
       (segid "GB1E" and resid   23 and name CA)
       (segid "GB1E" and resid   23 and name  C) 1.0   -63.00    10.00 2

! 19. A 24 Phi -65.00 +/- 6.00 (-71.00 to -59.00)

assign (segid "GB1E" and resid   23 and name  C)
       (segid "GB1E" and resid   24 and name  N) 
       (segid "GB1E" and resid   24 and name CA)
       (segid "GB1E" and resid   24 and name  C) 1.0   -65.00     6.00 2

! 20. T 25 Phi -66.00 +/- 9.00 (-75.00 to -57.00)

assign (segid "GB1E" and resid   24 and name  C)
       (segid "GB1E" and resid   25 and name  N) 
       (segid "GB1E" and resid   25 and name CA)
       (segid "GB1E" and resid   25 and name  C) 1.0   -66.00     9.00 2

! 21. A 26 Phi -62.00 +/- 5.00 (-67.00 to -57.00)

assign (segid "GB1E" and resid   25 and name  C)
       (segid "GB1E" and resid   26 and name  N) 
       (segid "GB1E" and resid   26 and name CA)
       (segid "GB1E" and resid   26 and name  C) 1.0   -62.00     5.00 2

! 22. E 27 Phi -66.00 +/- 8.00 (-74.00 to -58.00)
assign (segid "GB1E" and resid   26 and name  C)
       (segid "GB1E" and resid   27 and name  N) 
       (segid "GB1E" and resid   27 and name CA)
       (segid "GB1E" and resid   27 and name  C) 1.0   -66.00     8.00 2 

! 23. K 28 Phi -65.00 +/- 4.00 (-69.00 to -61.00)

assign (segid "GB1E" and resid   27 and name  C)
       (segid "GB1E" and resid   28 and name  N) 
       (segid "GB1E" and resid   28 and name CA)
       (segid "GB1E" and resid   28 and name  C) 1.0   -65.00     5.00 2

! 24. V 29 Phi -64.00 +/- 4.00 (-68.00 to -60.00)

assign (segid "GB1E" and resid   28 and name  C)
       (segid "GB1E" and resid   29 and name  N) 
       (segid "GB1E" and resid   29 and name CA)
       (segid "GB1E" and resid   29 and name  C) 1.0   -64.00     5.00 2  !min error bar 5 deg.

! 25. F 30 Phi -67.00 +/- 4.00 (-71.00 to -63.00)

assign (segid "GB1E" and resid   29 and name  C)
       (segid "GB1E" and resid   30 and name  N) 
       (segid "GB1E" and resid   30 and name CA)
       (segid "GB1E" and resid   30 and name  C) 1.0   -67.00     5.00 2  !min error bar 5 deg.

! 26. K 31 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1E" and resid   30 and name  C)
       (segid "GB1E" and resid   31 and name  N) 
       (segid "GB1E" and resid   31 and name CA)
       (segid "GB1E" and resid   31 and name  C) 1.0   -66.00     7.00 2

! 27. Q 32 Phi -66.00 +/- 7.00 (-73.00 to -59.00)

assign (segid "GB1E" and resid   31 and name  C)
       (segid "GB1E" and resid   32 and name  N) 
       (segid "GB1E" and resid   32 and name CA)
       (segid "GB1E" and resid   32 and name  C) 1.0   -66.00     7.00 2

! 28. Y 33 Phi -67.00 +/- 5.00 (-72.00 to -62.00)

assign (segid "GB1E" and resid   32 and name  C)
       (segid "GB1E" and resid   33 and name  N) 
       (segid "GB1E" and resid   33 and name CA)
       (segid "GB1E" and resid   33 and name  C) 1.0   -67.00     5.00 2

! 29. A 34 Phi -66.00 +/- 5.00 (-71.00 to -61.00)

assign (segid "GB1E" and resid   33 and name  C)
       (segid "GB1E" and resid   34 and name  N) 
       (segid "GB1E" and resid   34 and name CA)
       (segid "GB1E" and resid   34 and name  C) 1.0   -66.00     5.00 2

! 30. N 35 Phi -64.00 +/- 7.00 (-71.00 to -57.00)

assign (segid "GB1E" and resid   34 and name  C)
       (segid "GB1E" and resid   35 and name  N) 
       (segid "GB1E" and resid   35 and name CA)
       (segid "GB1E" and resid   35 and name  C) 1.0   -64.00     7.00 2

! 31. D 36 Phi -61.00 +/- 5.00 (-66.00 to -56.00)

assign (segid "GB1E" and resid   35 and name  C)
       (segid "GB1E" and resid   36 and name  N) 
       (segid "GB1E" and resid   36 and name CA)
       (segid "GB1E" and resid   36 and name  C) 1.0   -61.00     5.00 2

! 32. N 37 Phi -102.00 +/- 16.00 (-118.00 to -86.00)
!9 out of 10 hits, beware
assign (segid "GB1E" and resid   36 and name  C)
       (segid "GB1E" and resid   37 and name  N) 
       (segid "GB1E" and resid   37 and name CA)
       (segid "GB1E" and resid   37 and name  C) 1.0  -102.00    32.0 2  !double error 16.00 2

! 33. G 38 Phi 83.00 +/- 11.00 (72.00 to 94.00)
!8 out of 10 hits, beware !remove
!assign (segid "GB1E" and resid   37 and name  C)
!       (segid "GB1E" and resid   38 and name  N) 
!       (segid "GB1E" and resid   38 and name CA)
!       (segid "GB1E" and resid   38 and name  C) 1.0    83.00    11.00 2

! 34. V 39 Phi -101.00 +/- 20.00 (-121.00 to -81.00)

assign (segid "GB1E" and resid   38 and name  C)
       (segid "GB1E" and resid   39 and name  N) 
       (segid "GB1E" and resid   39 and name CA)
       (segid "GB1E" and resid   39 and name  C) 1.0  -101.00    20.00 2

! 35. D 40 Phi -98.00 +/- 27.00 (-125.00 to -71.00)

assign (segid "GB1E" and resid   39 and name  C)
       (segid "GB1E" and resid   40 and name  N) 
       (segid "GB1E" and resid   40 and name CA)
       (segid "GB1E" and resid   40 and name  C) 1.0   -98.00    27.00 2

!061107 insert G41 -180?51
!8 out of 10 hits, beware 
!assign (segid "GB1E" and resid   40 and name  C)
!       (segid "GB1E" and resid   41 and name  N) 
!       (segid "GB1E" and resid   41 and name CA)
!       (segid "GB1E" and resid   41 and name  C) 1.0   -180.00    51.00 2

! 36. E 42 Phi -98.00 +/- 22.00 (-120.00 to -76.00)

assign (segid "GB1E" and resid   41 and name  C)
       (segid "GB1E" and resid   42 and name  N) 
       (segid "GB1E" and resid   42 and name CA)
       (segid "GB1E" and resid   42 and name  C) 1.0   -98.00    22.00 2

! 37. W 43 Phi -122.00 +/- 16.00 (-138.00 to -106.00)
! 9 out of 10 hits, beware
assign (segid "GB1E" and resid   42 and name  C)
       (segid "GB1E" and resid   43 and name  N) 
       (segid "GB1E" and resid   43 and name CA)
       (segid "GB1E" and resid   43 and name  C) 1.0  -122.00    32.00 2 ! double error 16.00 2

! 38. T 44 Phi -133.00 +/- 23.00 (-156.00 to -110.00)

assign (segid "GB1E" and resid   43 and name  C)
       (segid "GB1E" and resid   44 and name  N) 
       (segid "GB1E" and resid   44 and name CA)
       (segid "GB1E" and resid   44 and name  C) 1.0  -133.00    23.00 2

! 39. Y 45 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
!9 out of 10, beware
assign (segid "GB1E" and resid   44 and name  C)
       (segid "GB1E" and resid   45 and name  N) 
       (segid "GB1E" and resid   45 and name CA)
       (segid "GB1E" and resid   45 and name  C) 1.0  -119.00    56.0 2 !double 28.00 2

! 40. D 46 Phi -105.00 +/- 18.00 (-123.00 to -87.00)

assign (segid "GB1E" and resid   45 and name  C)
       (segid "GB1E" and resid   46 and name  N) 
       (segid "GB1E" and resid   46 and name CA)
       (segid "GB1E" and resid   46 and name  C) 1.0  -105.00    18.00 2

!061107 insert D47 -88?22
!warning, 7 out of 10
!assign (segid "GB1E" and resid   46 and name  C)
!       (segid "GB1E" and resid   47 and name  N) 
!       (segid "GB1E" and resid   47 and name CA)
!       (segid "GB1E" and resid   47 and name  C) 1.0   -88.00    22.00 2

! 41. A 48 Phi -66.00 +/- 13.00 (-79.00 to -53.00)

assign (segid "GB1E" and resid   47 and name  C)
       (segid "GB1E" and resid   48 and name  N) 
       (segid "GB1E" and resid   48 and name CA)
       (segid "GB1E" and resid   48 and name  C) 1.0   -66.00    13.00 2

! 42. T 49 Phi -110.00 +/- 9.00 (-119.00 to -101.00)

assign (segid "GB1E" and resid   48 and name  C)
       (segid "GB1E" and resid   49 and name  N) 
       (segid "GB1E" and resid   49 and name CA)
       (segid "GB1E" and resid   49 and name  C) 1.0  -110.00     18 2 !061407 9.00 2

!K50, 5 out of 10, 58?4

! 43. T 51 Phi -105.00 +/- 43.00 (-148.00 to -62.00)
! 9 out of 10, beware 
assign (segid "GB1E" and resid   50 and name  C)
       (segid "GB1E" and resid   51 and name  N) 
       (segid "GB1E" and resid   51 and name CA)
       (segid "GB1E" and resid   51 and name  C) 1.0  -105.00    86.00 2

! 44. F 52 Phi -121.00 +/- 13.00 (-134.00 to -108.00)

assign (segid "GB1E" and resid   51 and name  C)
       (segid "GB1E" and resid   52 and name  N) 
       (segid "GB1E" and resid   52 and name CA)
       (segid "GB1E" and resid   52 and name  C) 1.0  -121.00    13.00 2

! 45. T 53 Phi -133.00 +/- 11.00 (-144.00 to -122.00)
! 9 out of 10, beware
assign (segid "GB1E" and resid   52 and name  C)
       (segid "GB1E" and resid   53 and name  N) 
       (segid "GB1E" and resid   53 and name CA)
       (segid "GB1E" and resid   53 and name  C) 1.0  -133.00    22.00 2

! 46. V 54 Phi -131.00 +/- 16.00 (-147.00 to -115.00)

assign (segid "GB1E" and resid   53 and name  C)
       (segid "GB1E" and resid   54 and name  N) 
       (segid "GB1E" and resid   54 and name CA)
       (segid "GB1E" and resid   54 and name  C) 1.0  -131.00    16.00 2

! 47. T 55 Phi -110.00 +/- 14.00 (-124.00 to -96.00)

assign (segid "GB1E" and resid   54 and name  C)
       (segid "GB1E" and resid   55 and name  N) 
       (segid "GB1E" and resid   55 and name CA)
       (segid "GB1E" and resid   55 and name  C) 1.0  -110.00    14.00 2


! 48. Q 2 Psi 136.00 +/- 13.00 (123.00 to 149.00)

assign (segid "GB1E" and resid    2 and name  N)
       (segid "GB1E" and resid    2 and name CA) 
       (segid "GB1E" and resid    2 and name  C)
       (segid "GB1E" and resid    3 and name  N) 1.0   136.00    13.00 2

! 49. Y 3 Psi 153.00 +/- 15.00 (138.00 to 168.00)

assign (segid "GB1E" and resid    3 and name  N)
       (segid "GB1E" and resid    3 and name CA) 
       (segid "GB1E" and resid    3 and name  C)
       (segid "GB1E" and resid    4 and name  N) 1.0   153.00    15.00 2

! 50. K 4 Psi 136.00 +/- 7.00 (129.00 to 143.00)

assign (segid "GB1E" and resid    4 and name  N)
       (segid "GB1E" and resid    4 and name CA) 
       (segid "GB1E" and resid    4 and name  C)
       (segid "GB1E" and resid    5 and name  N) 1.0   136.00     7.00 2

! 51. L 5 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1E" and resid    5 and name  N)
       (segid "GB1E" and resid    5 and name CA) 
       (segid "GB1E" and resid    5 and name  C)
       (segid "GB1E" and resid    6 and name  N) 1.0   122.00    16.00 2

! 52. I 6 Psi 120.00 +/- 12.00 (108.00 to 132.00)

assign (segid "GB1E" and resid    6 and name  N)
       (segid "GB1E" and resid    6 and name CA) 
       (segid "GB1E" and resid    6 and name  C)
       (segid "GB1E" and resid    7 and name  N) 1.0   120.00    12.00 2

! 53. L 7 Psi 119.00 +/- 11.00 (108.00 to 130.00)

assign (segid "GB1E" and resid    7 and name  N)
       (segid "GB1E" and resid    7 and name CA) 
       (segid "GB1E" and resid    7 and name  C)
       (segid "GB1E" and resid    8 and name  N) 1.0   119.00    11.00 2

! 54. N 8 Psi 142.00 +/- 26.00 (116.00 to 168.00)
!beware, 9 out of 10
assign (segid "GB1E" and resid    8 and name  N)
       (segid "GB1E" and resid    8 and name CA) 
       (segid "GB1E" and resid    8 and name  C)
       (segid "GB1E" and resid    9 and name  N) 1.0   142.00    52.0 2 !double  26.00 2

!G9 psi, 136?29, but only 4 out of 10
!K10 psi, 134+15, but only 5 out of 10

! 55. T 11 Psi -6.00 +/- 14.00 (-20.00 to 8.00)
!beware, 9 out of 10
assign (segid "GB1E" and resid   11 and name  N)
       (segid "GB1E" and resid   11 and name CA) 
       (segid "GB1E" and resid   11 and name  C)
       (segid "GB1E" and resid   12 and name  N) 1.0    -6.00    28.0 2 ! 14.00 2

! 56. L 12 Psi 124.00 +/- 27.00 (97.00 to 151.00)

assign (segid "GB1E" and resid   12 and name  N)
       (segid "GB1E" and resid   12 and name CA) 
       (segid "GB1E" and resid   12 and name  C)
       (segid "GB1E" and resid   13 and name  N) 1.0   124.00    27.00 2

! 57. K 13 Psi 156.00 +/- 16.00 (140.00 to 172.00)

assign (segid "GB1E" and resid   13 and name  N)
       (segid "GB1E" and resid   13 and name CA) 
       (segid "GB1E" and resid   13 and name  C)
       (segid "GB1E" and resid   14 and name  N) 1.0   156.00    16.00 2

! 58. G 14 Psi 159.00 +/- 23.00 (136.00 to 182.00)
! beware
assign (segid "GB1E" and resid   14 and name  N)
       (segid "GB1E" and resid   14 and name CA) 
       (segid "GB1E" and resid   14 and name  C)
       (segid "GB1E" and resid   15 and name  N) 1.0   159.00    46.00 2 ! double error 23.00 2

! 59. E 15 Psi 151.00 +/- 12.00 (139.00 to 163.00)

assign (segid "GB1E" and resid   15 and name  N)
       (segid "GB1E" and resid   15 and name CA) 
       (segid "GB1E" and resid   15 and name  C)
       (segid "GB1E" and resid   16 and name  N) 1.0   151.00    12.00 2

! 60. T 16 Psi 153.00 +/- 23.00 (130.00 to 176.00)

assign (segid "GB1E" and resid   16 and name  N)
       (segid "GB1E" and resid   16 and name CA) 
       (segid "GB1E" and resid   16 and name  C)
       (segid "GB1E" and resid   17 and name  N) 1.0   153.00    23.00 2

! 61. T 17 Psi 152.00 +/- 20.00 (132.00 to 172.00)

assign (segid "GB1E" and resid   17 and name  N)
       (segid "GB1E" and resid   17 and name CA) 
       (segid "GB1E" and resid   17 and name  C)
       (segid "GB1E" and resid   18 and name  N) 1.0   152.00    20.00 2

! 62. T 18 Psi 137.00 +/- 14.00 (123.00 to 151.00)

assign (segid "GB1E" and resid   18 and name  N)
       (segid "GB1E" and resid   18 and name CA) 
       (segid "GB1E" and resid   18 and name  C)
       (segid "GB1E" and resid   19 and name  N) 1.0   137.00    14.00 2

! 63. E 19 Psi 122.00 +/- 16.00 (106.00 to 138.00)

assign (segid "GB1E" and resid   19 and name  N)
       (segid "GB1E" and resid   19 and name CA) 
       (segid "GB1E" and resid   19 and name  C)
       (segid "GB1E" and resid   20 and name  N) 1.0   122.00    16.00 2

! 64. A 20 Psi 160.00 +/- 16.00 (144.00 to 176.00)

assign (segid "GB1E" and resid   20 and name  N)
       (segid "GB1E" and resid   20 and name CA) 
       (segid "GB1E" and resid   20 and name  C)
       (segid "GB1E" and resid   21 and name  N) 1.0   160.00    16.00 2

!V21 psi -17?17, 6 out of 10
!D22 psi 156?25, 7 out of 10

! 65. A 23 Psi -35.00 +/- 11.00 (-46.00 to -24.00)

assign (segid "GB1E" and resid   23 and name  N)
       (segid "GB1E" and resid   23 and name CA) 
       (segid "GB1E" and resid   23 and name  C)
       (segid "GB1E" and resid   24 and name  N) 1.0   -35.00    11.00 2

! 66. A 24 Psi -38.00 +/- 7.00 (-45.00 to -31.00)

assign (segid "GB1E" and resid   24 and name  N)
       (segid "GB1E" and resid   24 and name CA) 
       (segid "GB1E" and resid   24 and name  C)
       (segid "GB1E" and resid   25 and name  N) 1.0   -38.00     7.00 2

! 67. T 25 Psi -38.00 +/- 8.00 (-46.00 to -30.00)

assign (segid "GB1E" and resid   25 and name  N)
       (segid "GB1E" and resid   25 and name CA) 
       (segid "GB1E" and resid   25 and name  C)
       (segid "GB1E" and resid   26 and name  N) 1.0   -38.00     8.00 2

! 68. A 26 Psi -41.00 +/- 3.00 (-44.00 to -38.00)

assign (segid "GB1E" and resid   26 and name  N)
       (segid "GB1E" and resid   26 and name CA) 
       (segid "GB1E" and resid   26 and name  C)
       (segid "GB1E" and resid   27 and name  N) 1.0   -41.00     5.0 2 !min. 5 deg. error

! 69. E 27 Psi -37.00 +/- 17.00 (-54.00 to -20.00)
assign (segid "GB1E" and resid   27 and name  N)
       (segid "GB1E" and resid   27 and name CA) 
       (segid "GB1E" and resid   27 and name  C)
       (segid "GB1E" and resid   28 and name  N) 1.0   -37.00    17.00 2 

! 70. K 28 Psi -41.00 +/- 5.00 (-46.00 to -36.00)

assign (segid "GB1E" and resid   28 and name  N)
       (segid "GB1E" and resid   28 and name CA) 
       (segid "GB1E" and resid   28 and name  C)
       (segid "GB1E" and resid   29 and name  N) 1.0   -41.00    5.0 2 

! 71. V 29 Psi -46.00 +/- 4.00 (-50.00 to -42.00)

assign (segid "GB1E" and resid   29 and name  N)
       (segid "GB1E" and resid   29 and name CA) 
       (segid "GB1E" and resid   29 and name  C)
       (segid "GB1E" and resid   30 and name  N) 1.0   -46.00    5.0 2 !min 5 deg. error

! 72. F 30 Psi -35.00 +/- 7.00 (-42.00 to -28.00)

assign (segid "GB1E" and resid   30 and name  N)
       (segid "GB1E" and resid   30 and name CA) 
       (segid "GB1E" and resid   30 and name  C)
       (segid "GB1E" and resid   31 and name  N) 1.0   -35.00     7.00 2

! 73. K 31 Psi -41.00 +/- 10.00 (-51.00 to -31.00)

assign (segid "GB1E" and resid   31 and name  N)
       (segid "GB1E" and resid   31 and name CA) 
       (segid "GB1E" and resid   31 and name  C)
       (segid "GB1E" and resid   32 and name  N) 1.0   -41.00    10.00 2

! 74. Q 32 Psi -43.00 +/- 9.00 (-52.00 to -34.00)

assign (segid "GB1E" and resid   32 and name  N)
       (segid "GB1E" and resid   32 and name CA) 
       (segid "GB1E" and resid   32 and name  C)
       (segid "GB1E" and resid   33 and name  N) 1.0   -43.00     9.00 2

! 75. Y 33 Psi -37.00 +/- 9.00 (-46.00 to -28.00)

assign (segid "GB1E" and resid   33 and name  N)
       (segid "GB1E" and resid   33 and name CA) 
       (segid "GB1E" and resid   33 and name  C)
       (segid "GB1E" and resid   34 and name  N) 1.0   -37.00     9.00 2

! 76. A 34 Psi -42.00 +/- 4.00 (-46.00 to -38.00)

assign (segid "GB1E" and resid   34 and name  N)
       (segid "GB1E" and resid   34 and name CA) 
       (segid "GB1E" and resid   34 and name  C)
       (segid "GB1E" and resid   35 and name  N) 1.0   -42.00    5.0 2 !min 5 deg. error

! 77. N 35 Psi -37.00 +/- 11.00 (-48.00 to -26.00)

assign (segid "GB1E" and resid   35 and name  N)
       (segid "GB1E" and resid   35 and name CA) 
       (segid "GB1E" and resid   35 and name  C)
       (segid "GB1E" and resid   36 and name  N) 1.0   -37.00    11.00 2

! 78. D 36 Psi -31.00 +/- 8.00 (-39.00 to -23.00)

assign (segid "GB1E" and resid   36 and name  N)
       (segid "GB1E" and resid   36 and name CA) 
       (segid "GB1E" and resid   36 and name  C)
       (segid "GB1E" and resid   37 and name  N) 1.0   -31.00     8.00 2

! 79. N 37 Psi 8.00 +/- 16.00 (-8.00 to 24.00)
!beware, 9 out of 10
assign (segid "GB1E" and resid   37 and name  N)
       (segid "GB1E" and resid   37 and name CA) 
       (segid "GB1E" and resid   37 and name  C)
       (segid "GB1E" and resid   38 and name  N) 1.0     8.00    32.0 2 !double 16.00 2

! 80. G 38 Psi 14.00 +/- 9.00 (5.00 to 23.00)
!beware, 8 out of 10
!assign (segid "GB1E" and resid   38 and name  N)
!       (segid "GB1E" and resid   38 and name CA) 
!       (segid "GB1E" and resid   38 and name  C)
!       (segid "GB1E" and resid   39 and name  N) 1.0    14.00     9.00 2!

! 81. V 39 Psi 125.00 +/- 15.00 (110.00 to 140.00)

assign (segid "GB1E" and resid   39 and name  N)
       (segid "GB1E" and resid   39 and name CA) 
       (segid "GB1E" and resid   39 and name  C)
       (segid "GB1E" and resid   40 and name  N) 1.0   125.00    15.00 2

! 82. D 40 Psi 139.00 +/- 28.00 (111.00 to 167.00)

assign (segid "GB1E" and resid   40 and name  N)
       (segid "GB1E" and resid   40 and name CA) 
       (segid "GB1E" and resid   40 and name  C)
       (segid "GB1E" and resid   41 and name  N) 1.0   139.00    28.00 2

!061107 insert G41 -173?14
!8 out of 10 hits, beware 
!assign (segid "GB1E" and resid   41 and name  N)
!       (segid "GB1E" and resid   41 and name CA) 
!       (segid "GB1E" and resid   41 and name  C)
!       (segid "GB1E" and resid   42 and name  N) 1.0  -173.00    14.00 2

! 83. E 42 Psi 133.00 +/- 16.00 (117.00 to 149.00)

assign (segid "GB1E" and resid   42 and name  N)
       (segid "GB1E" and resid   42 and name CA) 
       (segid "GB1E" and resid   42 and name  C)
       (segid "GB1E" and resid   43 and name  N) 1.0   133.00    16.00 2

! 84. W 43 Psi 160.00 +/- 10.00 (150.00 to 170.00)
!beware, 9 out of 10
assign (segid "GB1E" and resid   43 and name  N)
       (segid "GB1E" and resid   43 and name CA) 
       (segid "GB1E" and resid   43 and name  C)
       (segid "GB1E" and resid   44 and name  N) 1.0   160.00    20.0 2 !double 10.00 2

! 85. T 44 Psi 152.00 +/- 17.00 (135.00 to 169.00)

assign (segid "GB1E" and resid   44 and name  N)
       (segid "GB1E" and resid   44 and name CA) 
       (segid "GB1E" and resid   44 and name  C)
       (segid "GB1E" and resid   45 and name  N) 1.0   152.00    17.00 2

! 86. Y 45 Psi 126.00 +/- 24.00 (102.00 to 150.00)
!9 out of 10, beware
assign (segid "GB1E" and resid   45 and name  N)
       (segid "GB1E" and resid   45 and name CA) 
       (segid "GB1E" and resid   45 and name  C)
       (segid "GB1E" and resid   46 and name  N) 1.0   126.00    48.0 2 !double 24.00 2

! 87. D 46 Psi 140.00 +/- 26.00 (114.00 to 166.00)

assign (segid "GB1E" and resid   46 and name  N)
       (segid "GB1E" and resid   46 and name CA) 
       (segid "GB1E" and resid   46 and name  C)
       (segid "GB1E" and resid   47 and name  N) 1.0   140.00    26.00 2

!061107 insert D47 144?42
!8 out of 10
!assign (segid "GB1E" and resid   47 and name  N)
!       (segid "GB1E" and resid   47 and name CA) 
!       (segid "GB1E" and resid   47 and name  C)
!       (segid "GB1E" and resid   48 and name  N) 1.0   144.00    42.00 2

! 88. A 48 Psi -21.00 +/- 15.00 (-36.00 to -6.00)

assign (segid "GB1E" and resid   48 and name  N)
       (segid "GB1E" and resid   48 and name CA) 
       (segid "GB1E" and resid   48 and name  C)
       (segid "GB1E" and resid   49 and name  N) 1.0   -21.00    15.00 2

! 89. T 49 Psi 10.00 +/- 13.00 (-3.00 to 23.00)

assign (segid "GB1E" and resid   49 and name  N)
       (segid "GB1E" and resid   49 and name CA) 
       (segid "GB1E" and resid   49 and name  C)
       (segid "GB1E" and resid   50 and name  N) 1.0    10.00    13.00 2

!K50 psi 37?12, but 5 out of 10 bad

! 90. T 51 Psi 134.00 +/- 16.00 (118.00 to 150.00)
! 9 out of 10, beware 
assign (segid "GB1E" and resid   51 and name  N)
       (segid "GB1E" and resid   51 and name CA) 
       (segid "GB1E" and resid   51 and name  C)
       (segid "GB1E" and resid   52 and name  N) 1.0   134.00    32.00 2 ! double error bars 16.00 2

! 91. F 52 Psi 150.00 +/- 16.00 (134.00 to 166.00)

assign (segid "GB1E" and resid   52 and name  N)
       (segid "GB1E" and resid   52 and name CA) 
       (segid "GB1E" and resid   52 and name  C)
       (segid "GB1E" and resid   53 and name  N) 1.0   150.00    16.00 2

! 92. T 53 Psi 144.00 +/- 17.00 (127.00 to 161.00)
! 9 out of 10, beware 
assign (segid "GB1E" and resid   53 and name  N)
       (segid "GB1E" and resid   53 and name CA) 
       (segid "GB1E" and resid   53 and name  C)
       (segid "GB1E" and resid   54 and name  N) 1.0   144.00    34.00 2 ! double error bars 17.00 2

! 93. V 54 Psi 139.00 +/- 14.00 (125.00 to 153.00)

assign (segid "GB1E" and resid   54 and name  N)
       (segid "GB1E" and resid   54 and name CA) 
       (segid "GB1E" and resid   54 and name  C)
       (segid "GB1E" and resid   55 and name  N) 1.0   139.00    14.00 2

! 94. T 55 Psi 128.00 +/- 12.00 (116.00 to 140.00)

assign (segid "GB1E" and resid   55 and name  N)
       (segid "GB1E" and resid   55 and name CA) 
       (segid "GB1E" and resid   55 and name  C)
       (segid "GB1E" and resid   56 and name  N) 1.0   128.00    12.00 2
       

       


! Intermolecular restraints
! first appearing in n24 < 5 
! first appearing in n48 < 7 
! first appearing in n60 < 8 
! Mirrored so that GB1A has all the N and C restraints

assign((segid GB1B and resid 20 and name N) or 
(segid GB1C and resid 20 and name N) or 
(segid GB1D and resid 20 and name N) or 
(segid GB1E and resid 20 and name N) or 
(segid GB1F and resid 20 and name N))
((segid GB1A and resid 31 and name CG) or
(segid GB1A and resid 31 and name CG)) 4.0 3.0 3.0 !A20N-K31CG or I6CG1

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1F and resid 45 and name N) or
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or 
(segid GB1F and resid 30 and name N) or
(segid GB1B and resid 42 and name N) or 
(segid GB1C and resid 42 and name N) or 
(segid GB1D and resid 42 and name N) or 
(segid GB1E and resid 42 and name N) or 
(segid GB1F and resid 42 and name N) or
(segid GB1B and resid 48 and name N) or 
(segid GB1C and resid 48 and name N) or 
(segid GB1D and resid 48 and name N) or 
(segid GB1E and resid 48 and name N) or 
(segid GB1F and resid 48 and name N)) 
((segid GB1A and resid 12 and name CA) or
(segid GB1A and resid 47 and name CA) or
(segid GB1A and resid 24 and name CA) or
(segid GB1A and resid 23 and name CA)) 3.0 2.0 2.0 !A48N-L12CA

assign((segid GB1B and resid 46 and name N) or 
(segid GB1C and resid 46 and name N) or 
(segid GB1D and resid 46 and name N) or 
(segid GB1E and resid 46 and name N) or 
(segid GB1F and resid 46 and name N) or
(segid GB1B and resid  6 and name N) or 
(segid GB1C and resid  6 and name N) or 
(segid GB1D and resid  6 and name N) or 
(segid GB1E and resid  6 and name N) or 
(segid GB1F and resid  6 and name N))
((segid GB1A and resid 12 and name CA) or
(segid GB1A and resid 47 and name CA) or
(segid GB1A and resid 24 and name CA) or
(segid GB1A and resid 23 and name CA)) 3.0 2.0 2.0  !D46N-L12CA

assign((segid GB1B and resid 46 and name N) or 
(segid GB1C and resid 46 and name N) or 
(segid GB1D and resid 46 and name N) or 
(segid GB1E and resid 46 and name N) or 
(segid GB1F and resid 46 and name N))
((segid GB1A and resid 12 and name CD1) or
(segid GB1A and resid  7 and name CD1) or
(segid GB1A and resid 13 and name CG)) 3.0 2.0 2.0 !D46N-L12CD1

assign((segid GB1B and resid 46 and name N) or 
(segid GB1C and resid 46 and name N) or 
(segid GB1D and resid 46 and name N) or 
(segid GB1E and resid 46 and name N) or 
(segid GB1F and resid 46 and name N))
(segid GB1A and resid 12 and name CD2) 3.0 2.0 2.0 !D46N-L12CD2

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1F and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or 
(segid GB1F and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N) or 
(segid GB1F and resid 13 and name N))
((segid GB1A and resid 12 and name CA) or
(segid GB1A and resid 47 and name CA) or
(segid GB1A and resid 24 and name CA) or
(segid GB1A and resid 23 and name CA)) 3.0 2.0 2.0  !D47N-L12CA

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1F and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or 
(segid GB1F and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N) or 
(segid GB1F and resid 13 and name N))
((segid GB1A and resid 12 and name CD1) or
(segid GB1A and resid  7 and name CD1) or
(segid GB1A and resid 13 and name CG)) 4.0 3.0 3.0 !D47N-L12CD1

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1F and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or 
(segid GB1F and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N) or 
(segid GB1F and resid 13 and name N))
(segid GB1A and resid 12 and name CD2) 3.0 2.0 2.0 !D47N-L12CD2

assign((segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1F and resid 47 and name N) or 
(segid GB1B and resid  3 and name N) or 
(segid GB1C and resid  3 and name N) or 
(segid GB1D and resid  3 and name N) or 
(segid GB1E and resid  3 and name N) or 
(segid GB1F and resid  3 and name N) or
(segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N) or 
(segid GB1F and resid 13 and name N))
((segid GB1A and resid  9 and name C) or
(segid GB1A and resid  4 and name C) or 
(segid GB1A and resid 11 and name C)) 3.0 2.0 2.0 !D47N-T11C

assign((segid GB1B and resid 15 and name N) or 
(segid GB1C and resid 15 and name N) or 
(segid GB1D and resid 15 and name N) or 
(segid GB1E and resid 15 and name N) or 
(segid GB1F and resid 15 and name N) or 
(segid GB1B and resid 32 and name N) or 
(segid GB1C and resid 32 and name N) or 
(segid GB1D and resid 32 and name N) or 
(segid GB1E and resid 32 and name N) or 
(segid GB1F and resid 32 and name N) or 
(segid GB1B and resid 36 and name N) or 
(segid GB1C and resid 36 and name N) or 
(segid GB1D and resid 36 and name N) or 
(segid GB1E and resid 36 and name N) or 
(segid GB1F and resid 36 and name N) or 
(segid GB1B and resid 10 and name N) or 
(segid GB1C and resid 10 and name N) or 
(segid GB1D and resid 10 and name N) or 
(segid GB1E and resid 10 and name N) or 
(segid GB1F and resid 10 and name N))
((segid GB1A and resid 44 and name CG2) or 
(segid GB1A and resid 29 and name CG1)) 3.0 2.0 2.0 !E15N-T44CG2

assign((segid GB1B and resid 15 and name N) or 
(segid GB1C and resid 15 and name N) or 
(segid GB1D and resid 15 and name N) or 
(segid GB1E and resid 15 and name N) or 
(segid GB1F and resid 15 and name N) or 
(segid GB1B and resid 32 and name N) or 
(segid GB1C and resid 32 and name N) or 
(segid GB1D and resid 32 and name N) or 
(segid GB1E and resid 32 and name N) or 
(segid GB1F and resid 32 and name N) or 
(segid GB1B and resid 36 and name N) or 
(segid GB1C and resid 36 and name N) or 
(segid GB1D and resid 36 and name N) or 
(segid GB1E and resid 36 and name N) or 
(segid GB1F and resid 36 and name N) or 
(segid GB1B and resid 10 and name N) or 
(segid GB1C and resid 10 and name N) or 
(segid GB1D and resid 10 and name N) or 
(segid GB1E and resid 10 and name N) or 
(segid GB1F and resid 10 and name N))
((segid GB1A and resid 43 and name C) or 
(segid GB1A and resid 26 and name C)) 3.0 2.0 2.0 !E15N-W43C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1F and resid 45 and name N) or
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or 
(segid GB1F and resid 30 and name N) or
(segid GB1B and resid 42 and name N) or 
(segid GB1C and resid 42 and name N) or 
(segid GB1D and resid 42 and name N) or 
(segid GB1E and resid 42 and name N) or 
(segid GB1F and resid 42 and name N) or
(segid GB1B and resid 48 and name N) or 
(segid GB1C and resid 48 and name N) or 
(segid GB1D and resid 48 and name N) or 
(segid GB1E and resid 48 and name N) or 
(segid GB1F and resid 48 and name N))
((segid GB1A and resid 14 and name C) or
(segid GB1A and resid 18 and name C) or
(segid GB1A and resid  1 and name C)) 4.5 3.5 3.5 !E42N-G14C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1F and resid 45 and name N) or
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or 
(segid GB1F and resid 30 and name N) or
(segid GB1B and resid 42 and name N) or 
(segid GB1C and resid 42 and name N) or 
(segid GB1D and resid 42 and name N) or 
(segid GB1E and resid 42 and name N) or 
(segid GB1F and resid 42 and name N) or
(segid GB1B and resid 48 and name N) or 
(segid GB1C and resid 48 and name N) or 
(segid GB1D and resid 48 and name N) or 
(segid GB1E and resid 48 and name N) or 
(segid GB1F and resid 48 and name N))
(segid GB1A and resid 1 and name CE) 4.0 3.0 3.0 !F30N-M1CE

assign((segid GB1B and resid 14 and name N) or 
(segid GB1C and resid 14 and name N) or 
(segid GB1D and resid 14 and name N) or 
(segid GB1E and resid 14 and name N) or 
(segid GB1F and resid 14 and name N))
((segid GB1A and resid 44 and name CG2) or 
(segid GB1A and resid 29 and name CG1)) 3.0 2.0 2.0 !G14N-T44CG2

assign((segid GB1B and resid 14 and name N) or 
(segid GB1C and resid 14 and name N) or 
(segid GB1D and resid 14 and name N) or 
(segid GB1E and resid 14 and name N) or 
(segid GB1F and resid 14 and name N))
((segid GB1A and resid 43 and name C) or 
(segid GB1A and resid 26 and name C)) 3.0 2.0 2.0 !G14N-W43C

assign((segid GB1B and resid 13 and name N) or 
(segid GB1C and resid 13 and name N) or 
(segid GB1D and resid 13 and name N) or 
(segid GB1E and resid 13 and name N) or 
(segid GB1F and resid 13 and name N) or
(segid GB1B and resid 47 and name N) or 
(segid GB1C and resid 47 and name N) or 
(segid GB1D and resid 47 and name N) or 
(segid GB1E and resid 47 and name N) or 
(segid GB1F and resid 47 and name N))
((segid GB1A and resid 45 and name C) or
(segid GB1A and resid 16 and name C)) 3.0 2.0 2.0 !K13N-Y45C

assign((segid GB1B and resid 28 and name N) or 
(segid GB1C and resid 28 and name N) or 
(segid GB1D and resid 28 and name N) or 
(segid GB1E and resid 28 and name N) or 
(segid GB1F and resid 28 and name N) or
(segid GB1B and resid 25 and name N) or 
(segid GB1C and resid 25 and name N) or 
(segid GB1D and resid 25 and name N) or 
(segid GB1E and resid 25 and name N) or 
(segid GB1F and resid 25 and name N))
(segid GB1A and resid 1 and name CE) 3.0 2.0 2.0 !K28N-M1CE

assign((segid GB1B and resid 31 and name N) or 
(segid GB1C and resid 31 and name N) or 
(segid GB1D and resid 31 and name N) or 
(segid GB1E and resid 31 and name N) or 
(segid GB1F and resid 31 and name N))
(segid GB1A and resid 1 and name CE) 3.0 2.0 2.0 !K31N-M1CE

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ) or 
(segid GB1F and resid 31 and name NZ))
((segid GB1A and resid 20 and name C) or
(segid GB1A and resid 42 and name C) or
(segid GB1A and resid 32 and name C)) 4.0 3.0 3.0 !K31NZ-A20C

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ) or 
(segid GB1F and resid 31 and name NZ))
(segid GB1A and resid 20 and name CB) 4.5 3.5 3.5 !K31NZ-A20CB

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ) or 
(segid GB1F and resid 31 and name NZ))
(segid GB1A and resid 1 and name CB) 3.0 2.0 2.0 !K31NZ-M1CB

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ) or 
(segid GB1F and resid 31 and name NZ))
(segid GB1A and resid 1 and name CE) 3.0 2.0 2.0 !K31NZ-M1CE

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ) or 
(segid GB1F and resid 31 and name NZ))
((segid GB1A and resid 21 and name C) or
(segid GB1A and resid  3 and name C) or
(segid GB1A and resid 40 and name C) or
(segid GB1A and resid  2 and name C)) 3.0 2.0 2.0 !K31NZ-V21C

assign((segid GB1B and resid 31 and name NZ) or 
(segid GB1C and resid 31 and name NZ) or 
(segid GB1D and resid 31 and name NZ) or 
(segid GB1E and resid 31 and name NZ) or 
(segid GB1F and resid 31 and name NZ))
(segid GB1A and resid 21 and name CG1) 3.0 2.0 2.0 !K31NZ-V21CG1

assign((segid GB1B and resid 12 and name N) or 
(segid GB1C and resid 12 and name N) or 
(segid GB1D and resid 12 and name N) or 
(segid GB1E and resid 12 and name N) or 
(segid GB1F and resid 12 and name N))
(segid GB1A and resid 48 and name CB) 3.0 2.0 2.0 !L12N-A48CB

assign((segid GB1B and resid 12 and name N) or 
(segid GB1C and resid 12 and name N) or 
(segid GB1D and resid 12 and name N) or 
(segid GB1E and resid 12 and name N) or 
(segid GB1F and resid 12 and name N))
((segid GB1A and resid 45 and name C) or
(segid GB1A and resid 16 and name C)) 3.0 2.0 2.0 !L12N-Y45C

assign((segid GB1B and resid 1 and name N) or 
(segid GB1C and resid 1 and name N) or 
(segid GB1D and resid 1 and name N) or 
(segid GB1E and resid 1 and name N) or 
(segid GB1F and resid 1 and name N))
((segid GB1A and resid 24 and name CB) or
(segid GB1A and resid 23 and name CB)) 4.5 3.5 3.5 !M1N-A24CB

assign((segid GB1B and resid 1 and name N) or 
(segid GB1C and resid 1 and name N) or 
(segid GB1D and resid 1 and name N) or 
(segid GB1E and resid 1 and name N) or 
(segid GB1F and resid 1 and name N))
(segid GB1A and resid 27 and name CG) 4.0 3.0 3.0 !M1N-A27CG

assign((segid GB1B and resid 1 and name N) or 
(segid GB1C and resid 1 and name N) or 
(segid GB1D and resid 1 and name N) or 
(segid GB1E and resid 1 and name N) or 
(segid GB1F and resid 1 and name N))
(segid GB1A and resid 27 and name CD) 3.0 2.0 2.0 !M1N-E27CD

assign((segid GB1B and resid 19 and name N) or 
(segid GB1C and resid 19 and name N) or 
(segid GB1D and resid 19 and name N) or 
(segid GB1E and resid 19 and name N) or 
(segid GB1F and resid 19 and name N) or
(segid GB1B and resid 2 and name N) or 
(segid GB1C and resid 2 and name N) or 
(segid GB1D and resid 2 and name N) or 
(segid GB1E and resid 2 and name N) or 
(segid GB1F and resid 2 and name N))
((segid GB1A and resid 24 and name CB) or
(segid GB1A and resid 23 and name CB)) 4.0 3.0 3.0 !Q2N-A23CB

assign((segid GB1B and resid 32 and name NE2) or 
(segid GB1C and resid 32 and name NE2) or 
(segid GB1D and resid 32 and name NE2) or 
(segid GB1E and resid 32 and name NE2) or 
(segid GB1F and resid 32 and name NE2) or
(segid GB1B and resid 17 and name N) or 
(segid GB1C and resid 17 and name N) or 
(segid GB1D and resid 17 and name N) or 
(segid GB1E and resid 17 and name N) or 
(segid GB1F and resid 17 and name N) or
(segid GB1B and resid 22 and name N) or 
(segid GB1C and resid 22 and name N) or 
(segid GB1D and resid 22 and name N) or 
(segid GB1E and resid 22 and name N) or 
(segid GB1F and resid 22 and name N))
((segid GB1A and resid 36 and name CB)or
(segid GB1A and resid  8 and name CB)) 4.0 3.0 3.0 !Q32NE2-D36CB

assign((segid GB1B and resid 11 and name N) or 
(segid GB1C and resid 11 and name N) or 
(segid GB1D and resid 11 and name N) or 
(segid GB1E and resid 11 and name N) or 
(segid GB1F and resid 11 and name N))
(segid GB1A and resid 48 and name CB) 4.5 3.5 3.5 !T11N-A48CB

!actually Q32C-Q32NE2 likely take out for now
!assign((segid GB1B and resid 32 and name NE2) or 
!(segid GB1C and resid 32 and name NE2) or 
!(segid GB1D and resid 32 and name NE2) or 
!(segid GB1E and resid 32 and name NE2) or 
!(segid GB1F and resid 32 and name NE2) or
!(segid GB1B and resid 17 and name N  ) or 
!(segid GB1C and resid 17 and name N  ) or 
!(segid GB1D and resid 17 and name N  ) or 
!(segid GB1E and resid 17 and name N  ) or 
!(segid GB1F and resid 17 and name N  ))
!(segid GB1A and resid 42 and name C) 3.0 2.0 2.0 !T17N-E42C

assign((segid GB1B and resid 16 and name N) or 
(segid GB1C and resid 16 and name N) or 
(segid GB1D and resid 16 and name N) or 
(segid GB1E and resid 16 and name N) or 
(segid GB1F and resid 16 and name N) or
(segid GB1B and resid 22 and name N) or 
(segid GB1C and resid 22 and name N) or 
(segid GB1D and resid 22 and name N) or 
(segid GB1E and resid 22 and name N) or 
(segid GB1F and resid 22 and name N) or
(segid GB1B and resid 32 and name NE2) or 
(segid GB1C and resid 32 and name NE2) or 
(segid GB1D and resid 32 and name NE2) or 
(segid GB1E and resid 32 and name NE2) or 
(segid GB1F and resid 32 and name NE2))
((segid GB1A and resid 44 and name CG2) or 
(segid GB1A and resid 29 and name CG1)) 4.0 3.0 3.0 !T16N-T44CG2

assign((segid GB1B and resid 44 and name N) or 
(segid GB1C and resid 44 and name N) or 
(segid GB1D and resid 44 and name N) or 
(segid GB1E and resid 44 and name N) or 
(segid GB1F and resid 44 and name N))
((segid GB1A and resid 14 and name C) or
(segid GB1A and resid 18 and name C) or
(segid GB1A and resid  1 and name C)) 3.0 2.0 2.0 !T44N-G14C

assign((segid GB1B and resid 44 and name N) or 
(segid GB1C and resid 44 and name N) or 
(segid GB1D and resid 44 and name N) or 
(segid GB1E and resid 44 and name N) or 
(segid GB1F and resid 44 and name N))
((segid GB1A and resid 7 and name CD1) or
(segid GB1A and resid 13 and name CG ) or
(segid GB1A and resid 12 and name CD1)) 3.0 2.0 2.0 !T44N-L12CD1

assign((segid GB1B and resid 44 and name N) or 
(segid GB1C and resid 44 and name N) or 
(segid GB1D and resid 44 and name N) or 
(segid GB1E and resid 44 and name N) or 
(segid GB1F and resid 44 and name N))
(segid GB1A and resid 12 and name CD2) 4.0 3.0 3.0 !T44N-L12CD2

assign((segid GB1B and resid 53 and name N) or 
(segid GB1C and resid 53 and name N) or 
(segid GB1D and resid 53 and name N) or 
(segid GB1E and resid 53 and name N) or 
(segid GB1F and resid 53 and name N) or
(segid GB1B and resid 51 and name N) or 
(segid GB1C and resid 51 and name N) or 
(segid GB1D and resid 51 and name N) or 
(segid GB1E and resid 51 and name N) or 
(segid GB1F and resid 51 and name N))
(segid GB1A and resid 12 and name CD2) 4.0 3.0 3.0 !T53N-L12CD2

assign((segid GB1B and resid 43 and name N) or 
(segid GB1C and resid 43 and name N) or 
(segid GB1D and resid 43 and name N) or 
(segid GB1E and resid 43 and name N) or 
(segid GB1F and resid 43 and name N) or 
(segid GB1B and resid  8 and name N) or 
(segid GB1C and resid  8 and name N) or 
(segid GB1D and resid  8 and name N) or 
(segid GB1E and resid  8 and name N) or 
(segid GB1F and resid  8 and name N))
(segid GB1A and resid 15 and name C) 4.5 3.5 3.5 !W43N-E15C

assign((segid GB1B and resid 43 and name N) or 
(segid GB1C and resid 43 and name N) or 
(segid GB1D and resid 43 and name N) or 
(segid GB1E and resid 43 and name N) or 
(segid GB1F and resid 43 and name N) or 
(segid GB1B and resid  8 and name N) or 
(segid GB1C and resid  8 and name N) or 
(segid GB1D and resid  8 and name N) or 
(segid GB1E and resid  8 and name N) or 
(segid GB1F and resid  8 and name N))
((segid GB1A and resid 14 and name C) or
(segid GB1A and resid 18 and name C) or
(segid GB1A and resid  1 and name C)) 3.0 2.0 2.0 !W43N-G14C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1F and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or 
(segid GB1F and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N) or 
(segid GB1F and resid 54 and name N))
((segid GB1A and resid 19 and name C) or
(segid GB1A and resid 25 and name C) or
(segid GB1A and resid 13 and name C) or 
(segid GB1A and resid 49 and name C) or 
(segid GB1A and resid 52 and name C)) 3.0 2.0 2.0 !Y45N-K13C

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1F and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or 
(segid GB1F and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N) or 
(segid GB1F and resid 54 and name N))
((segid GB1A and resid 7 and name CD1) or
(segid GB1A and resid 13 and name CG ) or
(segid GB1A and resid 12 and name CD1)) 3.0 2.0 2.0 !Y45N-L12CD1

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1F and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or 
(segid GB1F and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N) or 
(segid GB1F and resid 54 and name N))
(segid GB1A and resid 12 and name CD2) 3.0 2.0 2.0 !Y45N-L12CD2

assign((segid GB1B and resid 45 and name N) or 
(segid GB1C and resid 45 and name N) or 
(segid GB1D and resid 45 and name N) or 
(segid GB1E and resid 45 and name N) or 
(segid GB1F and resid 45 and name N) or 
(segid GB1B and resid 30 and name N) or 
(segid GB1C and resid 30 and name N) or 
(segid GB1D and resid 30 and name N) or 
(segid GB1E and resid 30 and name N) or 
(segid GB1F and resid 30 and name N) or
(segid GB1B and resid 54 and name N) or 
(segid GB1C and resid 54 and name N) or 
(segid GB1D and resid 54 and name N) or 
(segid GB1E and resid 54 and name N) or 
(segid GB1F and resid 54 and name N))
(segid GB1A and resid 11 and name CG2) 4.0 3.0 3.0 !Y45N-T11CG2

assign((segid GB1B and resid 31 and name CG) or 
(segid GB1C and resid 31 and name CG) or 
(segid GB1D and resid 31 and name CG) or 
(segid GB1E and resid 31 and name CG) or 
(segid GB1F and resid 31 and name CG) or
(segid GB1B and resid  6 and name CG1) or 
(segid GB1C and resid  6 and name CG1) or 
(segid GB1D and resid  6 and name CG1) or 
(segid GB1E and resid  6 and name CG1) or 
(segid GB1F and resid  6 and name CG1))
(segid GB1A and resid 20 and name N) 4.0 3.0 3.0 !A20N-K31CG

assign((segid GB1B and resid 12 and name CA) or 
(segid GB1C and resid 12 and name CA) or 
(segid GB1D and resid 12 and name CA) or 
(segid GB1E and resid 12 and name CA) or 
(segid GB1F and resid 12 and name CA) or
(segid GB1B and resid 47 and name CA) or 
(segid GB1C and resid 47 and name CA) or 
(segid GB1D and resid 47 and name CA) or 
(segid GB1E and resid 47 and name CA) or 
(segid GB1F and resid 47 and name CA) or
(segid GB1B and resid 24 and name CA) or 
(segid GB1C and resid 24 and name CA) or 
(segid GB1D and resid 24 and name CA) or 
(segid GB1E and resid 24 and name CA) or 
(segid GB1F and resid 24 and name CA) or
(segid GB1B and resid 23 and name CA) or 
(segid GB1C and resid 23 and name CA) or 
(segid GB1D and resid 23 and name CA) or 
(segid GB1E and resid 23 and name CA) or 
(segid GB1F and resid 23 and name CA))
((segid GB1A and resid 45 and name N) or 
(segid GB1A and resid 30 and name N) or 
(segid GB1A and resid 42 and name N) or
(segid GB1A and resid 48 and name N)) 3.0 2.0 2.0 !A48N-L12CA

assign((segid GB1B and resid 12 and name CA) or 
(segid GB1C and resid 12 and name CA) or 
(segid GB1D and resid 12 and name CA) or 
(segid GB1E and resid 12 and name CA) or 
(segid GB1F and resid 12 and name CA) or
(segid GB1B and resid 47 and name CA) or 
(segid GB1C and resid 47 and name CA) or 
(segid GB1D and resid 47 and name CA) or 
(segid GB1E and resid 47 and name CA) or 
(segid GB1F and resid 47 and name CA) or
(segid GB1B and resid 24 and name CA) or 
(segid GB1C and resid 24 and name CA) or 
(segid GB1D and resid 24 and name CA) or 
(segid GB1E and resid 24 and name CA) or 
(segid GB1F and resid 24 and name CA) or
(segid GB1B and resid 23 and name CA) or 
(segid GB1C and resid 23 and name CA) or 
(segid GB1D and resid 23 and name CA) or 
(segid GB1E and resid 23 and name CA) or 
(segid GB1F and resid 23 and name CA))
((segid GB1A and resid 46 and name N) or 
(segid GB1A and resid  6 and name N)) 3.0 2.0 2.0 !D46N-L12CA

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1F and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1F and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG) or 
(segid GB1F and resid 13 and name CG))
((segid GB1A and resid 46 and name N) or 
(segid GB1A and resid  6 and name N)) 3.0 2.0 2.0 !D46N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2) or 
(segid GB1F and resid 12 and name CD2))
((segid GB1A and resid 46 and name N) or 
(segid GB1A and resid  6 and name N)) 3.0 2.0 2.0 !D46N-L12CD2

assign((segid GB1B and resid 12 and name CA) or 
(segid GB1C and resid 12 and name CA) or 
(segid GB1D and resid 12 and name CA) or 
(segid GB1E and resid 12 and name CA) or 
(segid GB1F and resid 12 and name CA) or
(segid GB1B and resid 47 and name CA) or 
(segid GB1C and resid 47 and name CA) or 
(segid GB1D and resid 47 and name CA) or 
(segid GB1E and resid 47 and name CA) or 
(segid GB1F and resid 47 and name CA) or
(segid GB1B and resid 24 and name CA) or 
(segid GB1C and resid 24 and name CA) or 
(segid GB1D and resid 24 and name CA) or 
(segid GB1E and resid 24 and name CA) or 
(segid GB1F and resid 24 and name CA) or
(segid GB1B and resid 23 and name CA) or 
(segid GB1C and resid 23 and name CA) or 
(segid GB1D and resid 23 and name CA) or 
(segid GB1E and resid 23 and name CA) or 
(segid GB1F and resid 23 and name CA))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 3.0 2.0 2.0 !D47N-L12CA

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1F and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1F and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG) or 
(segid GB1F and resid 13 and name CG))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 4.0 3.0 3.0 !D47N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2) or 
(segid GB1F and resid 12 and name CD2))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 3.0 2.0 2.0 !D47N-L12CD2

assign((segid GB1B and resid 11 and name C) or 
(segid GB1C and resid 11 and name C) or 
(segid GB1D and resid 11 and name C) or 
(segid GB1E and resid 11 and name C) or 
(segid GB1F and resid 11 and name C) or
(segid GB1B and resid  9 and name C) or 
(segid GB1C and resid  9 and name C) or 
(segid GB1D and resid  9 and name C) or 
(segid GB1E and resid  9 and name C) or 
(segid GB1F and resid  9 and name C) or
(segid GB1B and resid  4 and name C) or 
(segid GB1C and resid  4 and name C) or 
(segid GB1D and resid  4 and name C) or 
(segid GB1E and resid  4 and name C) or 
(segid GB1F and resid  4 and name C))
((segid GB1A and resid 47 and name N) or 
(segid GB1A and resid  3 and name N) or
(segid GB1A and resid 13 and name N)) 3.0 2.0 2.0 !D47N-T11C

assign((segid GB1B and resid 44 and name CG2) or 
(segid GB1C and resid 44 and name CG2) or 
(segid GB1D and resid 44 and name CG2) or 
(segid GB1E and resid 44 and name CG2) or 
(segid GB1F and resid 44 and name CG2) or 
(segid GB1B and resid 29 and name CG1) or 
(segid GB1C and resid 29 and name CG1) or 
(segid GB1D and resid 29 and name CG1) or 
(segid GB1E and resid 29 and name CG1) or 
(segid GB1F and resid 29 and name CG1))
((segid GB1A and resid 15 and name N) or 
(segid GB1A and resid 32 and name N) or 
(segid GB1A and resid 36 and name N) or 
(segid GB1A and resid 10 and name N))  3.0 2.0 2.0 !E15N-T44CG2

assign((segid GB1B and resid 43 and name C) or 
(segid GB1C and resid 43 and name C) or 
(segid GB1D and resid 43 and name C) or 
(segid GB1E and resid 43 and name C) or 
(segid GB1F and resid 43 and name C) or 
(segid GB1B and resid 26 and name C) or 
(segid GB1C and resid 26 and name C) or 
(segid GB1D and resid 26 and name C) or 
(segid GB1E and resid 26 and name C) or 
(segid GB1F and resid 26 and name C))
((segid GB1A and resid 15 and name N) or 
(segid GB1A and resid 32 and name N) or 
(segid GB1A and resid 36 and name N) or 
(segid GB1A and resid 10 and name N))  3.0 2.0 2.0 !E15N-W43C

assign((segid GB1B and resid 14 and name C) or 
(segid GB1C and resid 14 and name C) or 
(segid GB1D and resid 14 and name C) or 
(segid GB1E and resid 14 and name C) or 
(segid GB1F and resid 14 and name C) or
(segid GB1B and resid 18 and name C) or 
(segid GB1C and resid 18 and name C) or 
(segid GB1D and resid 18 and name C) or 
(segid GB1E and resid 18 and name C) or 
(segid GB1F and resid 18 and name C) or
(segid GB1B and resid  1 and name C) or 
(segid GB1C and resid  1 and name C) or 
(segid GB1D and resid  1 and name C) or 
(segid GB1E and resid  1 and name C) or 
(segid GB1F and resid  1 and name C))
((segid GB1A and resid 42 and name N) or
(segid GB1A and resid 45 and name N) or
(segid GB1A and resid 48 and name N) or
(segid GB1A and resid 30 and name N)) 4.5 3.5 3.5 !E42N-G14C

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE) or 
(segid GB1F and resid 1 and name CE))
((segid GB1A and resid 42 and name N) or
(segid GB1A and resid 45 and name N) or
(segid GB1A and resid 48 and name N) or
(segid GB1A and resid 30 and name N)) 4.0 3.0 3.0 !F30N-M1CE

assign((segid GB1B and resid 44 and name CG2) or 
(segid GB1C and resid 44 and name CG2) or 
(segid GB1D and resid 44 and name CG2) or 
(segid GB1E and resid 44 and name CG2) or 
(segid GB1F and resid 44 and name CG2) or 
(segid GB1B and resid 29 and name CG1) or 
(segid GB1C and resid 29 and name CG1) or 
(segid GB1D and resid 29 and name CG1) or 
(segid GB1E and resid 29 and name CG1) or 
(segid GB1F and resid 29 and name CG1))
(segid GB1A and resid 14 and name N) 3.0 2.0 2.0 !G14N-T44CG2

assign((segid GB1B and resid 43 and name C) or 
(segid GB1C and resid 43 and name C) or 
(segid GB1D and resid 43 and name C) or 
(segid GB1E and resid 43 and name C) or 
(segid GB1F and resid 43 and name C) or 
(segid GB1B and resid 26 and name C) or 
(segid GB1C and resid 26 and name C) or 
(segid GB1D and resid 26 and name C) or 
(segid GB1E and resid 26 and name C) or 
(segid GB1F and resid 26 and name C))
(segid GB1A and resid 14 and name N) 3.0 2.0 2.0 !G14N-W43C

assign((segid GB1B and resid 45 and name C) or 
(segid GB1C and resid 45 and name C) or 
(segid GB1D and resid 45 and name C) or 
(segid GB1E and resid 45 and name C) or 
(segid GB1F and resid 45 and name C) or 
(segid GB1B and resid 16 and name C) or 
(segid GB1C and resid 16 and name C) or 
(segid GB1D and resid 16 and name C) or 
(segid GB1E and resid 16 and name C) or 
(segid GB1F and resid 16 and name C))
((segid GB1A and resid 13 and name N) or
(segid GB1A and resid 47 and name N)) 3.0 2.0 2.0 !K13N-Y45C

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE) or 
(segid GB1F and resid 1 and name CE))
((segid GB1A and resid 28 and name N) or
(segid GB1A and resid 25 and name N)) 3.0 2.0 2.0 !K28N-M1CE

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE) or 
(segid GB1F and resid 1 and name CE))
(segid GB1A and resid 31 and name N) 3.0 2.0 2.0 !K31N-M1CE

assign((segid GB1B and resid 20 and name C) or 
(segid GB1C and resid 20 and name C) or 
(segid GB1D and resid 20 and name C) or 
(segid GB1E and resid 20 and name C) or 
(segid GB1F and resid 20 and name C) or 
(segid GB1B and resid 42 and name C) or 
(segid GB1C and resid 42 and name C) or 
(segid GB1D and resid 42 and name C) or 
(segid GB1E and resid 42 and name C) or 
(segid GB1F and resid 42 and name C) or 
(segid GB1B and resid 32 and name C) or 
(segid GB1C and resid 32 and name C) or 
(segid GB1D and resid 32 and name C) or 
(segid GB1E and resid 32 and name C) or 
(segid GB1F and resid 32 and name C))
(segid GB1A and resid 31 and name NZ) 4.0 3.0 3.0 !K31NZ-A20C

assign((segid GB1B and resid 20 and name CB) or 
(segid GB1C and resid 20 and name CB) or 
(segid GB1D and resid 20 and name CB) or 
(segid GB1E and resid 20 and name CB) or 
(segid GB1F and resid 20 and name CB))
(segid GB1A and resid 31 and name NZ) 4.5 3.5 3.5 !K31NZ-A20CB

assign((segid GB1B and resid 1 and name CB) or 
(segid GB1C and resid 1 and name CB) or 
(segid GB1D and resid 1 and name CB) or 
(segid GB1E and resid 1 and name CB) or 
(segid GB1F and resid 1 and name CB))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-M1CB

assign((segid GB1B and resid 1 and name CE) or 
(segid GB1C and resid 1 and name CE) or 
(segid GB1D and resid 1 and name CE) or 
(segid GB1E and resid 1 and name CE) or 
(segid GB1F and resid 1 and name CE))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-M1CE

assign((segid GB1B and resid 21 and name C) or 
(segid GB1C and resid 21 and name C) or 
(segid GB1D and resid 21 and name C) or 
(segid GB1E and resid 21 and name C) or 
(segid GB1F and resid 21 and name C) or 
(segid GB1B and resid  3 and name C) or 
(segid GB1C and resid  3 and name C) or 
(segid GB1D and resid  3 and name C) or 
(segid GB1E and resid  3 and name C) or 
(segid GB1F and resid  3 and name C) or 
(segid GB1B and resid  2 and name C) or 
(segid GB1C and resid  2 and name C) or 
(segid GB1D and resid  2 and name C) or 
(segid GB1E and resid  2 and name C) or 
(segid GB1F and resid  2 and name C) or 
(segid GB1B and resid 40 and name C) or 
(segid GB1C and resid 40 and name C) or 
(segid GB1D and resid 40 and name C) or 
(segid GB1E and resid 40 and name C) or 
(segid GB1F and resid 40 and name C))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-V21C

assign((segid GB1B and resid 21 and name CG1) or 
(segid GB1C and resid 21 and name CG1) or 
(segid GB1D and resid 21 and name CG1) or 
(segid GB1E and resid 21 and name CG1) or 
(segid GB1F and resid 21 and name CG1))
(segid GB1A and resid 31 and name NZ) 3.0 2.0 2.0 !K31NZ-V21CG1

assign((segid GB1B and resid 48 and name CB) or 
(segid GB1C and resid 48 and name CB) or 
(segid GB1D and resid 48 and name CB) or 
(segid GB1E and resid 48 and name CB) or 
(segid GB1F and resid 48 and name CB))
(segid GB1A and resid 12 and name N) 3.0 2.0 2.0 !L12N-A48CB

assign((segid GB1B and resid 45 and name C) or 
(segid GB1C and resid 45 and name C) or 
(segid GB1D and resid 45 and name C) or 
(segid GB1E and resid 45 and name C) or 
(segid GB1F and resid 45 and name C) or 
(segid GB1B and resid 16 and name C) or 
(segid GB1C and resid 16 and name C) or 
(segid GB1D and resid 16 and name C) or 
(segid GB1E and resid 16 and name C) or 
(segid GB1F and resid 16 and name C))
(segid GB1A and resid 12 and name N) 3.0 2.0 2.0 !L12N-Y45C

assign((segid GB1B and resid 24 and name CB) or 
(segid GB1C and resid 24 and name CB) or 
(segid GB1D and resid 24 and name CB) or 
(segid GB1E and resid 24 and name CB) or 
(segid GB1F and resid 24 and name CB) or
(segid GB1B and resid 23 and name CB) or 
(segid GB1C and resid 23 and name CB) or 
(segid GB1D and resid 23 and name CB) or 
(segid GB1E and resid 23 and name CB) or 
(segid GB1F and resid 23 and name CB))
(segid GB1A and resid 1 and name N) 4.5 3.5 3.5 !M1N-A24CB

assign((segid GB1B and resid 27 and name CD) or 
(segid GB1C and resid 27 and name CD) or 
(segid GB1D and resid 27 and name CD) or 
(segid GB1E and resid 27 and name CD) or 
(segid GB1F and resid 27 and name CD))
(segid GB1A and resid 1 and name N) 3.0 2.0 2.0 !M1N-E27CD

assign((segid GB1B and resid 24 and name CB) or 
(segid GB1C and resid 24 and name CB) or 
(segid GB1D and resid 24 and name CB) or 
(segid GB1E and resid 24 and name CB) or 
(segid GB1F and resid 24 and name CB) or
(segid GB1B and resid 23 and name CB) or 
(segid GB1C and resid 23 and name CB) or 
(segid GB1D and resid 23 and name CB) or 
(segid GB1E and resid 23 and name CB) or 
(segid GB1F and resid 23 and name CB))
((segid GB1A and resid 2 and name N) or
(segid GB1A and resid 19 and name N)) 4.5 3.5 3.5 !Q2N-A23CB

assign((segid GB1B and resid 48 and name CB) or 
(segid GB1C and resid 48 and name CB) or 
(segid GB1D and resid 48 and name CB) or 
(segid GB1E and resid 48 and name CB) or 
(segid GB1F and resid 48 and name CB))
(segid GB1A and resid 11 and name N) 4.5 3.5 3.5 !T11N-A48CB

!assign((segid GB1B and resid 42 and name C) or 
!(segid GB1C and resid 42 and name C) or 
!(segid GB1D and resid 42 and name C) or 
!(segid GB1E and resid 42 and name C) or 
!(segid GB1F and resid 42 and name C))
!(segid GB1A and resid 16 and name N) 3.0 2.0 2.0 !T16N-E42C

assign((segid GB1B and resid 44 and name CG2) or 
(segid GB1C and resid 44 and name CG2) or 
(segid GB1D and resid 44 and name CG2) or 
(segid GB1E and resid 44 and name CG2) or 
(segid GB1F and resid 44 and name CG2) or 
(segid GB1B and resid 29 and name CG1) or 
(segid GB1C and resid 29 and name CG1) or 
(segid GB1D and resid 29 and name CG1) or 
(segid GB1E and resid 29 and name CG1) or 
(segid GB1F and resid 29 and name CG1))
((segid GB1A and resid 16 and name N) or 
(segid GB1A and resid 22 and name N) or 
(segid GB1A and resid 32 and name NE2)) 4.0 3.0 3.0 !T16N-T44CG2

assign((segid GB1B and resid 14 and name C) or 
(segid GB1C and resid 14 and name C) or 
(segid GB1D and resid 14 and name C) or 
(segid GB1E and resid 14 and name C) or 
(segid GB1F and resid 14 and name C) or
(segid GB1B and resid 18 and name C) or 
(segid GB1C and resid 18 and name C) or 
(segid GB1D and resid 18 and name C) or 
(segid GB1E and resid 18 and name C) or 
(segid GB1F and resid 18 and name C) or
(segid GB1B and resid  1 and name C) or 
(segid GB1C and resid  1 and name C) or 
(segid GB1D and resid  1 and name C) or 
(segid GB1E and resid  1 and name C) or 
(segid GB1F and resid  1 and name C))
(segid GB1A and resid 44 and name N) 3.0 2.0 2.0 !T44N-G14C

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1F and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1F and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG) or 
(segid GB1F and resid 13 and name CG))
(segid GB1A and resid 44 and name N) 3.0 2.0 2.0 !T44N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2) or 
(segid GB1F and resid 12 and name CD2))
(segid GB1A and resid 44 and name N) 4.0 3.0 3.0 !T44N-L12CD2

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2) or 
(segid GB1F and resid 12 and name CD2))
((segid GB1A and resid 53 and name N) or 
(segid GB1A and resid 51 and name N)) 4.0 3.0 3.0 !T53N-L12CD2

assign((segid GB1B and resid 15 and name C) or 
(segid GB1C and resid 15 and name C) or 
(segid GB1D and resid 15 and name C) or 
(segid GB1E and resid 15 and name C) or 
(segid GB1F and resid 15 and name C))
((segid GB1A and resid 43 and name N) or
(segid GB1A and resid  8 and name N)) 4.5 3.5 3.5 !W43N-E15C

assign((segid GB1B and resid 14 and name C) or 
(segid GB1C and resid 14 and name C) or 
(segid GB1D and resid 14 and name C) or 
(segid GB1E and resid 14 and name C) or 
(segid GB1F and resid 14 and name C) or
(segid GB1B and resid 18 and name C) or 
(segid GB1C and resid 18 and name C) or 
(segid GB1D and resid 18 and name C) or 
(segid GB1E and resid 18 and name C) or 
(segid GB1F and resid 18 and name C) or
(segid GB1B and resid  1 and name C) or 
(segid GB1C and resid  1 and name C) or 
(segid GB1D and resid  1 and name C) or 
(segid GB1E and resid  1 and name C) or 
(segid GB1F and resid  1 and name C))
((segid GB1A and resid 43 and name N) or
(segid GB1A and resid  8 and name N)) 3.0 2.0 2.0 !W43N-G14C

assign((segid GB1B and resid 13 and name C) or 
(segid GB1C and resid 13 and name C) or 
(segid GB1D and resid 13 and name C) or 
(segid GB1E and resid 13 and name C) or 
(segid GB1F and resid 13 and name C))
(segid GB1A and resid 45 and name N) 3.0 2.0 2.0 !Y45N-K13C

assign((segid GB1B and resid 12 and name CD1) or 
(segid GB1C and resid 12 and name CD1) or 
(segid GB1D and resid 12 and name CD1) or 
(segid GB1E and resid 12 and name CD1) or 
(segid GB1F and resid 12 and name CD1) or 
(segid GB1B and resid  7 and name CD1) or 
(segid GB1C and resid  7 and name CD1) or 
(segid GB1D and resid  7 and name CD1) or 
(segid GB1E and resid  7 and name CD1) or 
(segid GB1F and resid  7 and name CD1) or 
(segid GB1B and resid 13 and name CG) or 
(segid GB1C and resid 13 and name CG) or 
(segid GB1D and resid 13 and name CG) or 
(segid GB1E and resid 13 and name CG) or 
(segid GB1F and resid 13 and name CG))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 3.0 2.0 2.0 !Y45N-L12CD1

assign((segid GB1B and resid 12 and name CD2) or 
(segid GB1C and resid 12 and name CD2) or 
(segid GB1D and resid 12 and name CD2) or 
(segid GB1E and resid 12 and name CD2) or 
(segid GB1F and resid 12 and name CD2))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 3.0 2.0 2.0 !Y45N-L12CD2

assign((segid GB1B and resid 11 and name CG2) or 
(segid GB1C and resid 11 and name CG2) or 
(segid GB1D and resid 11 and name CG2) or 
(segid GB1E and resid 11 and name CG2) or 
(segid GB1F and resid 11 and name CG2))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 4.0 3.0 3.0 !Y45N-T11CG2

assign((segid GB1B and resid 11 and name CG2) or 
(segid GB1C and resid 11 and name CG2) or 
(segid GB1D and resid 11 and name CG2) or 
(segid GB1E and resid 11 and name CG2) or 
(segid GB1F and resid 11 and name CG2))
((segid GB1A and resid 45 and name N) or
(segid GB1A and resid 30 and name N) or
(segid GB1A and resid 54 and name N)) 4.0 3.0 3.0 !Y45N-T11CG2



!for calc's 1-3 violators were lengthen if they violated by 0.5
!for calc 4-7 violators were lenthened if they violated by 0.3

!ambiguous IM's  may move into own pot list later
!removed to prove a point

! Intramolecular Restraints

assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  20 and name CA) 2.10 0.13 0.13 !V21N-A20CA
assign (segid "GB1A" and resid  24 and name  N)(segid "GB1A" and resid  24 and name CA) 1.51 0.10 0.10 !A24N-CA
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  24 and name CA) 2.90 0.20 0.20 !T25N-A24CA
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  34 and name CA) 1.51 0.10 0.10 !A34N-CA
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  34 and name CA) 2.81 0.10 0.10 !N35N-A34CA
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  48 and name CA) 1.50 0.10 0.10 !A48N-CA
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  48 and name CA) 2.81 0.18 0.18 !T49N-A48CA
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  22 and name CA) 2.60 0.18 0.18 !A23N-D22CA
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  22 and name CA) 1.46 0.10 0.10 !D22N-CA
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  36 and name CA) 1.45 0.10 0.10 !D36N-CA
!violates cacl4 
!assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  36 and name CA) 2.94 0.18 0.18 !N37N-D36CA
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  36 and name CA) 2.94 1.18 1.18 !N37N-D36CA
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CA) 1.50 0.10 0.10 !D40N-CA
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  40 and name CA) 2.62 0.10 0.10 !G41N-D40CA
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  46 and name CA) 1.44 0.10 0.10 !D46N-CA
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  46 and name CA) 2.76 0.19 0.19 !D47N-D46CA
!violates cacl4
!assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  47 and name CA) 3.48 0.65 0.65 !A48N-D47CA
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  47 and name CA) 3.48 1.65 1.65 !A48N-D47CA
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  47 and name CA) 1.51 0.10 0.10 !D47N-CA
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  15 and name CA) 1.46 0.10 0.10 !E15N-CA
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CA) 2.62 0.15 0.15 !T16N-E15CA
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  19 and name CA) 1.47 0.10 0.10 !E19N-CA
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  27 and name CA) 1.48 0.10 0.10 !E27N-CA
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  27 and name CA) 2.53 0.13 0.13 !K28N-E27CA
assign (segid "GB1A" and resid  42 and name  N)(segid "GB1A" and resid  42 and name CA) 1.42 0.10 0.10 !E42N-CA
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  42 and name CA) 2.61 0.20 0.20 !W43N-E42CA
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  56 and name CA) 1.44 0.10 0.10 !E56N-CA
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  14 and name CA) 2.81 0.22 0.22 !E15N-G14CA
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  14 and name CA) 1.44 0.10 0.10 !G14N-CA
assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  38 and name CA) 1.49 0.10 0.10 !G38N-CA
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  38 and name CA) 2.53 0.12 0.12 !V39N-G38CA
assign (segid "GB1A" and resid  42 and name  N)(segid "GB1A" and resid  41 and name CA) 2.68 0.14 0.14 !E42N-G41CA
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  41 and name CA) 1.46 0.10 0.10 !G41N-CA
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid   9 and name CA) 1.42 0.10 0.10 !G9N-CA
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid   9 and name CA) 2.48 0.10 0.10 !K10N-G9CA
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CA) 1.44 0.10 0.10 !I6N-CA
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   6 and name CA) 2.21 0.10 0.10 !L7N-I6CA
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CA) 2.47 0.10 0.10 !T11N-K10CA
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  13 and name CA) 2.51 0.10 0.10 !G14N-K13CA
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CA) 1.46 0.10 0.10 !K13N-CA
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CA) 1.47 0.10 0.10 !K28N-CA
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  28 and name CA) 2.29 0.10 0.10 !V29N-K28CA
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  31 and name CA) 1.47 0.10 0.10 !K31N-CA
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CA) 1.43 0.10 0.10 !K4N-CA
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CA) 1.42 0.10 0.10 !K50N-CA
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  12 and name CA) 1.43 0.10 0.10 !L12N-CA
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  12 and name CA) 5.07 1.94 1.94 !T11N-L12CA
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   5 and name CA) 1.42 0.10 0.10 !L5N-CA
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   7 and name CA) 5.10 4.10 6.34 !G14N-L7CA
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid   7 and name CA) 5.32 4.32 6.66 !G9N-L7CA
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CA) 1.45 0.12 0.12 !L7N-CA
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   7 and name CA) 2.56 0.10 0.10 !N8N-L7CA
!violates calc4
!assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   7 and name CA) 3.85 0.86 0.86 !V54N-L7CA
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   7 and name CA) 3.85 1.86 1.86 !V54N-L7CA
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid   1 and name CA) 1.48 0.10 0.10 !M1N-CA
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  35 and name CA) 3.57 0.58 0.58 !A34N-N35CA
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  35 and name CA) 2.59 0.15 0.15 !D36N-N35CA
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  35 and name CA) 1.47 0.10 0.10 !N35N-CA
assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  37 and name CA) 2.74 0.18 0.18 !G38N-N37CA
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid   8 and name CA) 2.55 0.13 0.13 !G9N-N8CA
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   2 and name CA) 1.44 0.10 0.10 !Q2N-CA
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid   2 and name CA) 2.55 0.11 0.11 !Y3N-Q2CA
assign (segid "GB1A" and resid  32 and name  N)(segid "GB1A" and resid  32 and name CA) 1.42 0.10 0.10 !Q32N-CA
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  11 and name CA) 2.58 0.13 0.13 !L12N-T11CA
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  11 and name CA) 1.45 0.10 0.10 !T11N-CA
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  18 and name CA) 2.64 0.15 0.15 !E19N-T18CA
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid  18 and name CA) 1.43 0.10 0.10 !T18N-CA
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  25 and name CA) 2.73 0.21 0.21 !A26N-T25CA
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  25 and name CA) 1.44 0.10 0.10 !T25N-CA
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  44 and name CA) 1.45 0.10 0.10 !T44N-CA
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  44 and name CA) 2.58 1.58 5.09 !Y45N-T44CA
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  51 and name CA) 2.71 0.16 0.16 !F52N-T51CA
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  51 and name CA) 1.45 0.10 0.10 !T51N-CA
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  53 and name CA) 1.49 0.10 0.10 !T53N-CA
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CA) 2.66 0.16 0.16 !E56N-T55CA
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  55 and name CA) 1.43 0.10 0.10 !T55N-CA
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  29 and name CA) 1.49 0.10 0.10 !V29N-CA
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  39 and name CA) 2.35 0.11 0.11 !D40N-V39CA
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  39 and name CA) 1.43 0.10 0.10 !V39N-CA
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  54 and name CA) 2.66 0.15 0.15 !T55N-V54CA
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid  54 and name CA) 1.45 0.10 0.10 !V54N-CA
assign (segid "GB1A" and resid  20 and name  N)(segid "GB1A" and resid  20 and name CB) 2.46 0.10 0.10 !A20N-CB
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  20 and name CB) 4.43 0.10 0.10 !A26N-A20CB
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid  20 and name CB) 6.16 3.33 3.33 !M1N-A20CB
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  20 and name CB) 3.27 0.10 0.10 !V21N-A20CB
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  23 and name CB) 2.49 0.15 0.15 !A23N-CB
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  23 and name CB) 6.58 2.81 2.81 !K50NZ-A23CB
assign (segid "GB1A" and resid  24 and name  N)(segid "GB1A" and resid  24 and name CB) 2.75 0.23 0.23 !A24N-CB
assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  24 and name CB) 6.94 5.94 7.30 !K28NZ-A24CB
!violates calc4
!assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  24 and name CB) 3.82 0.10 0.10 !T25N-A24CB
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  24 and name CB) 3.82 1.10 1.10 !T25N-A24CB
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  26 and name CB) 6.01 2.10 2.10 !A23N-A26CB
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  26 and name CB) 2.46 0.10 0.10 !A26N-CB
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  26 and name CB) 3.34 0.10 0.10 !E27N-A26CB
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  26 and name CB) 5.74 4.74 6.86 !K28N-A26CB
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  34 and name CB) 2.44 0.10 0.10 !A34N-CB
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  34 and name CB) 5.30 1.79 1.79 !G41N-A34CB
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  34 and name CB) 3.29 0.10 0.10 !N35N-A34CB
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  34 and name CB) 4.46 0.86 0.86 !V39N-A34CB
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  34 and name CB) 5.90 3.20 3.20 !W43NE1-A34CB
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  48 and name CB) 2.50 0.10 0.10 !A48N-CB
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  48 and name CB) 5.36 1.05 1.05 !D47N-A48CB
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  48 and name CB) 6.83 0.86 0.86 !K50NZ-A48CB
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  48 and name CB) 3.39 0.20 0.20 !T49N-A48CB
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  22 and name CB) 2.93 0.10 0.10 !A23N-D22CB
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  22 and name CB) 2.52 0.10 0.10 !D22N-CB
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  36 and name CB) 2.41 0.10 0.10 !D36N-CB
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  36 and name CB) 3.38 0.30 0.30 !N37N-D36CB
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  36 and name CB) 5.05 1.82 1.82 !N37ND2-D36CB
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CB) 2.51 0.10 0.10 !D40N-CB
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  40 and name CB) 3.60 0.17 0.17 !G41N-D40CB
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  46 and name CB) 2.46 0.10 0.10 !D46N-CB
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  47 and name CB) 3.70 0.50 0.50 !A48N-D47CB
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  47 and name CB) 2.46 0.38 0.38 !D47N-CB
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  15 and name CB) 2.95 0.59 0.59 !E15N-CB
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CB) 2.81 0.29 0.29 !T16N-E15CB
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  27 and name CB) 2.42 0.15 0.15 !E27N-CB
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  27 and name CB) 2.99 0.26 0.26 !K28N-E27CB
!violates calc4
!assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  56 and name CB) 2.96 0.10 0.10 !E56N-CB
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  56 and name CB) 2.96 1.10 1.10 !E56N-CB
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  56 and name CB) 4.24 0.20 0.20 !G41N-E56CB
!violates calc4
!assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  56 and name CB) 4.72 0.75 0.75 !G9N-E56CB
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  56 and name CB) 4.72 1.75 1.75 !G9N-E56CB
assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  30 and name CB) 2.47 0.10 0.10 !F30N-CB
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  30 and name CB) 3.06 0.10 0.10 !K31N-F30CB
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  52 and name CB) 2.32 0.10 0.10 !F52N-CB
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CB) 2.61 0.10 0.10 !I6N-CB
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  10 and name CB) 6.40 5.40 7.12 !G9N-K10CB
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CB) 2.44 0.10 0.10 !K10N-CB
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CB) 3.31 0.10 0.10 !T11N-K10CB
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  13 and name CB) 3.37 0.10 0.10 !G14N-K13CB
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CB) 2.45 0.20 0.20 !K13N-CB
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CB) 2.43 0.10 0.10 !K28N-CB
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  28 and name CB) 3.17 0.12 0.12 !V29N-K28CB
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  31 and name CB) 2.62 0.10 0.10 !K31N-CB
assign (segid "GB1A" and resid  32 and name  N)(segid "GB1A" and resid  31 and name CB) 3.12 0.10 0.10 !Q32N-K31CB
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CB) 2.43 0.21 0.21 !K4N-CB
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   4 and name CB) 3.50 0.44 0.44 !L5N-K4CB
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CB) 2.51 0.23 0.23 !K50N-CB
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CB) 4.50 0.80 0.80 !K50NZ-CB
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  50 and name CB) 5.28 1.57 1.57 !T49N-K50CB
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  50 and name CB) 4.24 0.68 0.68 !T51N-K50CB
!intermolecular
!assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid   1 and name CB) 4.94 3.94 6.46 !K31NZ-M1CB
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   1 and name CB) 3.32 0.10 0.10 !Q2N-M1CB
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  35 and name CB) 3.02 0.10 0.10 !D36N-N35CB
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  35 and name CB) 2.47 0.16 0.16 !N35N-CB
!violates calc1
!assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CB) 3.54 0.27 0.27 !N35ND2-CB
assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CB) 3.54 1.27 1.27 !N35ND2-CB
assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  37 and name CB) 3.70 2.70 5.81 !G38N-N37CB
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  37 and name CB) 2.39 0.25 0.25 !N37N-CB
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  37 and name CB) 2.63 1.63 2.70 !N37ND2-CB
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   8 and name CB) 2.21 0.10 0.10 !N8N-CB
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid   8 and name CB) 2.71 0.47 0.47 !N8ND2-CB
!violates calc1
!assign (segid "GB1A" and resid  32 and name NE2)(segid "GB1A" and resid  32 and name CB) 2.43 0.10 0.10 !Q32NE2-CB
assign (segid "GB1A" and resid  32 and name NE2)(segid "GB1A" and resid  32 and name CB) 2.43 1.10 1.10 !Q32NE2-CB
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  11 and name CB) 3.58 2.58 5.51 !L12N-T11CB
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  11 and name CB) 2.54 0.10 0.10 !T11N-CB
assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  17 and name CB) 2.52 0.17 0.17 !T17N-CB
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  18 and name CB) 3.30 0.10 0.10 !E19N-T18CB
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid  18 and name CB) 2.47 1.47 4.87 !T18N-CB
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  25 and name CB) 3.15 0.37 0.37 !A26N-T25CB
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  25 and name CB) 2.50 0.20 0.20 !T25N-CB
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  44 and name CB) 2.47 0.38 0.38 !T44N-CB
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  44 and name CB) 3.22 0.10 0.10 !Y45N-T44CB
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  49 and name CB) 3.81 0.35 0.35 !K50N-T49CB
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  49 and name CB) 2.50 0.28 0.28 !T49N-CB
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  49 and name CB) 5.23 1.16 1.16 !T51N-T49CB
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  51 and name CB) 4.89 1.00 1.00 !D46N-T51CB
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  51 and name CB) 3.68 0.10 0.10 !F52N-T51CB
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  51 and name CB) 5.16 1.74 1.74 !K50N-T51CB
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  51 and name CB) 2.50 0.11 0.11 !T51N-CB
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CB) 3.67 0.10 0.10 !E56N-T55CB
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid  55 and name CB) 5.28 4.28 6.62 !N8N-T55CB
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid  55 and name CB) 5.28 2.29 2.29 !N8ND2-T55CB
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  55 and name CB) 2.50 0.10 0.10 !T55N-CB
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  43 and name CB) 2.81 0.10 0.10 !T44N-W43CB
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  33 and name CB) 3.44 0.64 0.64 !A34N-Y33CB
assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  33 and name CB) 3.82 0.28 0.28 !F30N-Y33CB
assign (segid "GB1A" and resid  33 and name  N)(segid "GB1A" and resid  33 and name CB) 2.47 0.34 0.34 !Y33N-CB
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  45 and name CB) 2.35 0.10 0.10 !Y45N-CB
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.67 0.16 0.16 !E15N-I6CD1
!violates calc1
!assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   6 and name CD1) 6.34 0.15 0.15 !G14N-I6CD1
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   6 and name CD1) 6.34 1.15 1.15 !G14N-I6CD1
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid   6 and name CD1) 4.60 0.15 0.15 !K4NZ-I6CD1
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.74 0.16 0.16 !T16N-I6CD1
!violates calc2
!assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   6 and name CD1) 6.79 0.17 0.17 !V54N-I6CD1
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   6 and name CD1) 6.79 1.17 1.17 !V54N-I6CD1
!violates cacl5
!assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.43 0.14 0.14 !F52N-I6CD1
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.43 1.14 1.14 !F52N-I6CD1
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CD1) 3.39 0.10 0.10 !I6N-CD1
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   6 and name CD1) 4.74 3.74 6.54 !L7N-I6CD1
!violates calc1
!assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.10 0.10 0.10 !T53N-I6CD1
!violates calc 6 removed
!assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.10 1.10 1.10 !T53N-I6CD1
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  10 and name CD) 5.71 1.51 1.51 !E56N-K10CD
!violates calc1
!assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CD) 2.72 0.21 0.21 !K10NZ-CD
assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CD) 2.72 1.21 1.21 !K10NZ-CD
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CD) 5.58 1.45 1.45 !T11N-K10CD
!violates calc4
!assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CD) 4.35 0.10 0.10 !K13N-CD
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CD) 4.35 1.10 1.10 !K13N-CD
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CD) 2.66 0.33 0.33 !K13NZ-CD
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CD) 4.32 0.29 0.29 !K28N-CD
assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  28 and name CD) 2.88 0.10 0.10 !K28NZ-CD
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  28 and name CD) 6.84 2.84 2.84 !V29N-K28CD
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  31 and name CD) 2.52 0.15 0.15 !K31NZ-CD
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CD) 4.87 0.10 0.10 !K4N-CD
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid   4 and name CD) 2.95 1.95 5.26 !K4NZ-CD
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   4 and name CD) 5.11 0.10 0.10 !L5N-K4CD
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CD) 3.32 0.10 0.10 !K50N-CD
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CD) 2.26 0.13 0.13 !K50NZ-CD
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  50 and name CD) 6.06 5.06 6.80 !T49N-K50CD
assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  12 and name CD1) 4.31 0.10 0.10 !G38N-L12CD1
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  12 and name CD1) 3.06 0.10 0.10 !N37ND2-L12CD1
!intermoleduclar
!assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  12 and name CD2) 3.98 0.47 0.47 !D46N-L12CD2
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  12 and name CD2) 5.65 1.47 1.47 !G9N-L12CD2
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  12 and name CD2) 3.99 0.10 0.10 !L12N-CD2
!intermoleduclar
!assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  12 and name CD2) 1.00 0.00 0.10 !T44N-L12CD2
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  12 and name CD2) 5.17 0.83 0.83 !G14N-L12CD2
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  12 and name CD2) 3.44 0.43 0.43 !K13N-L12CD2
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  12 and name CD2) 5.68 1.54 1.54 !N37ND2-L12CD2
!intermoleduclar
!assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  12 and name CD2) 4.31 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid   5 and name CD2) 4.87 0.10 0.10 !F52N-L5CD2
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   5 and name CD2) 3.29 0.10 0.10 !I6N-L5CD2
!violates calc4
!assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   5 and name CD2) 5.36 0.10 0.10 !T16N-L5CD2
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   5 and name CD2) 5.36 1.10 1.10 !T16N-L5CD2
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   5 and name CD2) 3.92 2.92 5.64 !T53N-L5CD2
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   5 and name CD2) 3.77 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   7 and name CD1) 3.98 0.10 0.10 !E15N-L7CD1
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   7 and name CD1) 3.98 1.10 1.10 !E15N-L7CD1
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CD1) 3.28 0.10 0.10 !L7N-CD1
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   7 and name CD1) 4.79 3.79 4.73 !N8N-L7CD1
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   7 and name CD1) 4.06 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   7 and name CD2) 4.76 0.10 0.10 !E15N-L7CD2
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   7 and name CD2) 4.76 1.10 1.10 !E15N-L7CD2
!violates calc4
!assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   7 and name CD2) 5.08 0.14 0.14 !G14N-L7CD2
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   7 and name CD2) 5.08 1.14 1.14 !G14N-L7CD2
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid   7 and name CD2) 5.09 4.09 6.54 !G9N-L7CD2
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid   7 and name CD2) 4.79 0.16 0.16 !K13N-L7CD2
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid   7 and name CD2) 6.73 0.16 0.16 !K13NZ-L7CD2
!violates calc4
!assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CD2) 3.50 0.10 0.10 !L7N-CD2
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CD2) 3.50 1.10 1.10 !L7N-CD2
!violates calc4
!assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   7 and name CD2) 4.61 0.10 0.10 !N8N-L7CD2
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   7 and name CD2) 4.61 1.10 1.10 !N8N-L7CD2
!violates calc4
!assign (segid "GB1A" and resid   2 and name NE2)(segid "GB1A" and resid   2 and name CD) 1.82 0.10 0.10 !Q2NE2-CD
assign (segid "GB1A" and resid   2 and name NE2)(segid "GB1A" and resid   2 and name CD) 1.82 0.82 1.10 !Q2NE2-CD
assign (segid "GB1A" and resid  32 and name NE2)(segid "GB1A" and resid  32 and name CD) 1.70 0.10 0.10 !Q32NE2-CD
!violates calc4
!assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CE) 1.92 0.10 0.10 !K10NZ-CE
assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CE) 1.92 0.92 1.10 !K10NZ-CE
!violates calc1
!assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CE) 2.26 0.10 0.10 !K13NZ-CE
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CE) 2.26 1.10 1.10 !K13NZ-CE
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CE) 5.45 1.95 1.95 !K28N-CE
assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  28 and name CE) 1.88 0.10 0.10 !K28NZ-CE
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  31 and name CE) 1.61 0.10 0.10 !K31NZ-CE
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CE) 1.59 0.10 0.10 !K50NZ-CE
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid   1 and name CE) 4.20 1.04 1.04 !A23N-M1CE
!intermoleduclar
!assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid   1 and name CE) 4.49 0.50 0.50 !K28NZ-M1CE
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid   1 and name CE) 3.83 0.10 0.10 !K50NZ-M1CE
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid   1 and name CE) 5.00 0.10 0.10 !V21N-M1CE
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid   1 and name CE) 5.35 0.84 0.84 !D22N-M1CE
!intermoleduclar
!assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid   1 and name CE) 4.73 0.58 0.58 !K31N-M1CE
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid   1 and name CE) 3.77 0.60 0.60 !M1N-CE
!intermoleduclar
!assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid   1 and name CE) 4.74 2.15 2.15 !V29N-M1CE
!intermoleduclar
!assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid   1 and name CE) 3.54 0.49 0.49 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid   1 and name CE) 3.63 0.57 0.57 !K31NZ-M1CE
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   1 and name CE) 4.20 1.04 1.04 !Q2N-M1CE
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid   1 and name CE) 5.42 1.45 1.45 !Y3N-M1CE
!violates calc1
!assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CG) 2.82 0.10 0.10 !D40N-CG
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CG) 2.82 1.10 1.10 !D40N-CG
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  40 and name CG) 3.57 0.10 0.10 !G41N-D40CG
!violates calc1
!assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CG) 3.22 0.11 0.11 !T16N-E15CG
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CG) 3.22 1.11 1.11 !T16N-E15CG
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  15 and name CG) 2.77 0.10 0.10 !E15N-CG
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  27 and name CG) 5.36 0.10 0.10 !A26N-E27CG
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  27 and name CG) 3.28 0.11 0.11 !K28N-E27CG
!violates calc4
!assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  27 and name CG) 3.67 0.10 0.10 !K31NZ-E27CG
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  27 and name CG) 3.67 1.10 1.10 !K31NZ-E27CG
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  27 and name CG) 3.30 0.10 0.10 !E27N-CG
!violates calc1
!assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  27 and name CG) 4.19 0.10 0.10 !K31N-E27CG
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  27 and name CG) 4.19 1.10 1.10 !K31N-E27CG
!intermoleduclar
!assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid  27 and name CG) 4.23 3.23 5.29 !M1N-E27CG
assign (segid "GB1A" and resid  42 and name  N)(segid "GB1A" and resid  42 and name CG) 2.56 0.12 0.12 !E42N-CG
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  56 and name CG) 2.50 0.10 0.10 !E56N-CG
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CG1) 2.76 0.10 0.10 !I6N-CG1
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   6 and name CG1) 4.35 0.27 0.27 !L7N-I6CG1
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   6 and name CG1) 5.40 1.12 1.12 !T53N-I6CG1
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   6 and name CG2) 5.57 1.65 1.65 !E15N-I6CG2
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid   6 and name CG2) 6.40 5.40 6.76 !G9N-I6CG2
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   6 and name CG2) 3.04 0.10 0.10 !L7N-I6CG2
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   6 and name CG2) 5.64 1.93 1.93 !T16N-I6CG2
!violates calc4
!assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid   6 and name CG2) 5.56 1.28 1.28 !F52N-I6CG2
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid   6 and name CG2) 5.56 2.28 2.28 !F52N-I6CG2
!violates calc4
!assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CG2) 3.30 0.10 0.10 !I6N-CG2
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CG2) 3.30 1.10 1.10 !I6N-CG2
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   6 and name CG2) 4.67 0.24 0.24 !N8N-I6CG2
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   6 and name CG2) 5.81 4.81 6.83 !T53N-I6CG2
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   6 and name CG2) 5.46 1.46 1.46 !G14N-I6CG2
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid   6 and name CG2) 7.30 5.73 5.73 !K4NZ-I6CG2
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid   6 and name CG2) 5.57 1.65 1.65 !N8ND2-I6CG2
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CG) 2.87 0.10 0.10 !K10N-CG
assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CG) 3.89 0.10 0.10 !K10NZ-CG
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CG) 4.25 0.20 0.20 !T11N-K10CG
!violates calc1
!assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  13 and name CG) 3.41 0.10 0.10 !G14N-K13CG
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  13 and name CG) 3.41 1.10 1.10 !G14N-K13CG
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  13 and name CG) 4.27 0.10 0.10 !G9N-K13CG
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CG) 3.06 0.10 0.10 !K13N-CG
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CG) 4.10 3.10 6.02 !K13NZ-CG
!intermoleduclar
!assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  13 and name CG) 4.23 0.10 0.10 !Y45N-K13CG
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CG) 2.67 0.22 0.22 !K28N-CG
!violates calc4
!assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  31 and name CG) 2.43 0.16 0.16 !K31N-CG
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  31 and name CG) 2.43 1.16 1.16 !K31N-CG
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CG) 3.94 0.10 0.10 !K4N-CG
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   4 and name CG) 3.43 0.10 0.10 !L5N-K4CG
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   4 and name CG) 4.42 0.28 0.28 !T16N-K4CG
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid   4 and name CG) 5.30 2.33 2.33 !T51N-K4CG
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CG) 2.70 0.29 0.29 !K50N-CG
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CG) 3.74 0.27 0.27 !K50NZ-CG
!violates calc4
!assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  12 and name CG) 3.08 0.10 0.10 !K13N-L12CG
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  12 and name CG) 3.08 1.10 1.10 !K13N-L12CG
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid   1 and name CG) 3.61 0.50 0.50 !M1N-CG
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   1 and name CG) 3.01 0.10 0.10 !Q2N-M1CG
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid   1 and name CG) 5.88 4.88 6.46 !V21N-M1CG
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid   1 and name CG) 4.82 1.41 1.41 !Y3N-M1CG
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  35 and name CG) 3.53 0.10 0.10 !N35N-CG
!violates calc4
!assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CG) 1.87 0.10 0.10 !N35ND2-CG
assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CG) 1.87 0.87 1.10 !N35ND2-CG
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  37 and name CG) 1.42 0.10 0.10 !N37ND2-CG
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid   8 and name CG) 1.41 0.10 0.10 !N8ND2-CG
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   2 and name CG) 3.12 0.10 0.10 !Q2N-CG
assign (segid "GB1A" and resid   2 and name NE2)(segid "GB1A" and resid   2 and name CG) 2.78 0.10 0.10 !Q2NE2-CG
assign (segid "GB1A" and resid  32 and name NE2)(segid "GB1A" and resid  32 and name CG) 2.59 0.12 0.12 !Q32NE2-CG
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  11 and name CG2) 4.38 0.40 0.40 !L12N-T11CG2
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  11 and name CG2) 2.80 0.12 0.12 !T11N-CG2
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid  16 and name CG2) 4.83 0.98 0.98 !L5N-T16CG2
!violates calc1
!assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  16 and name CG2) 2.63 0.37 0.37 !T16N-CG2
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  16 and name CG2) 2.63 1.37 1.37 !T16N-CG2
!violates calc1
!assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  17 and name CG2) 2.56 0.21 0.21 !T17N-CG2
assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  17 and name CG2) 2.56 1.21 1.21 !T17N-CG2
!violates calc4
!assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  18 and name CG2) 3.07 0.10 0.10 !E19N-T18CG2
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  18 and name CG2) 3.07 1.10 1.10 !E19N-T18CG2
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid  18 and name CG2) 2.81 0.10 0.10 !T18N-CG2
!violates calc4
!assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  25 and name CG2) 2.72 0.10 0.10 !T25N-CG2
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  25 and name CG2) 2.72 1.10 1.10 !T25N-CG2
!intermoleduclar
!assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  44 and name CG2) 3.44 0.10 0.10 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  44 and name CG2) 4.85 0.86 0.86 !G14N-T44CG2
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  44 and name CG2) 2.71 0.11 0.11 !T44N-CG2
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  49 and name CG2) 5.16 0.88 0.88 !K50N-T49CG2
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  49 and name CG2) 2.88 0.25 0.25 !T49N-CG2
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  49 and name CG2) 5.12 0.90 0.90 !T51N-T49CG2
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  51 and name CG2) 3.18 0.15 0.15 !F52N-T51CG2
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid  51 and name CG2) 5.15 0.40 0.40 !K4N-T51CG2
!violates calc4
!assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  51 and name CG2) 3.23 0.10 0.10 !T51N-CG2
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  51 and name CG2) 3.23 1.10 1.10 !T51N-CG2
!violates calc1
!assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid  53 and name CG2) 3.54 0.10 0.10 !I6N-T53CG2
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid  53 and name CG2) 3.54 1.10 1.10 !I6N-T53CG2
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  53 and name CG2) 2.97 0.10 0.10 !T53N-CG2
!violates calc4
!assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CG2) 2.89 0.52 0.52 !E56N-T55CG2
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CG2) 2.89 1.52 1.52 !E56N-T55CG2
!violates calc4
!assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid  55 and name CG2) 3.80 0.10 0.10 !N8ND2-T55CG2
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid  55 and name CG2) 3.80 1.10 1.10 !N8ND2-T55CG2
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  55 and name CG2) 2.90 0.24 0.24 !T55N-CG2
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  21 and name CG1) 2.93 0.16 0.16 !D22N-V21CG1
!violates calc1
!assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  21 and name CG1) 2.61 0.19 0.19 !V21N-CG1
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  21 and name CG1) 2.61 1.19 1.19 !V21N-CG1
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  21 and name CG2) 3.02 0.29 0.29 !D22N-V21CG2
!violates calc2
!assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  21 and name CG2) 2.81 0.32 0.32 !V21N-CG2
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  21 and name CG2) 2.81 1.32 1.32 !V21N-CG2
!violates calc4
!assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  29 and name CG1) 2.81 0.10 0.10 !F30N-V29CG1
assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  29 and name CG1) 2.81 1.10 1.10 !F30N-V29CG1
!violates calc1
!assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  29 and name CG1) 4.67 0.74 0.74 !K28N-V29CG1
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  29 and name CG1) 4.67 1.74 1.74 !K28N-V29CG1
!violates calc2
!assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  29 and name CG1) 2.96 0.10 0.10 !V29N-CG1
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  29 and name CG1) 2.96 1.10 1.10 !V29N-CG1
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  29 and name CG2) 5.39 2.05 2.05 !E27N-V29CG2
assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  29 and name CG2) 4.29 0.26 0.26 !F30N-V29CG2
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  29 and name CG2) 5.28 1.86 1.86 !K28N-V29CG2
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  29 and name CG2) 2.69 0.10 0.10 !V29N-CG2
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  39 and name CG1) 3.26 2.26 5.48 !D40N-V39CG1
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  39 and name CG1) 4.85 0.38 0.38 !G9N-V39CG1
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  39 and name CG1) 6.09 0.39 0.39 !L12N-V39CG1
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  39 and name CG1) 6.80 0.38 0.38 !T11N-V39CG1
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  39 and name CG1) 2.81 0.10 0.10 !V39N-CG1
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  39 and name CG1) 5.64 0.39 0.39 !N37N-V39CG1
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  54 and name CG1) 6.13 2.85 2.85 !G41N-V54CG1
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  54 and name CG1) 5.76 1.03 1.03 !G9N-V54CG1
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid  54 and name CG1) 5.89 2.02 2.02 !I6N-V54CG1
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid  54 and name CG1) 4.87 0.70 0.70 !L7N-V54CG1
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  54 and name CG1) 6.13 2.44 2.44 !T53N-V54CG1
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  54 and name CG1) 4.15 0.10 0.10 !T55N-V54CG1
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid  54 and name CG1) 3.04 0.12 0.12 !V54N-CG1
!violates calc1
!assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  54 and name CG1) 4.64 0.51 0.51 !W43N-V54CG1
!violates again cacl5
!assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  54 and name CG1) 4.64 1.51 1.51 !W43N-V54CG1
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  54 and name CG1) 5.00 0.85 0.85 !W43NE1-V54CG1
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  54 and name CG1) 6.17 5.17 6.99 !A34N-V54CG1
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  54 and name CG1) 6.13 2.85 2.85 !E56N-V54CG1
assign (segid "GB1A" and resid  32 and name  N)(segid "GB1A" and resid  54 and name CG1) 6.30 5.30 6.72 !Q32N-V54CG1
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  54 and name CG2) 3.05 0.10 0.10 !G41N-V54CG2
!violates calc1
!assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid  54 and name CG2) 3.09 0.10 0.10 !V54N-CG2
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid  54 and name CG2) 3.09 1.10 1.10 !V54N-CG2
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  54 and name CG2) 3.21 0.10 0.10 !W43NE1-V54CG2
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  54 and name CG2) 2.92 1.92 5.23 !T55N-V54CG2
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  54 and name CG2) 4.94 0.10 0.10 !W43N-V54CG2
assign (segid "GB1A" and resid  20 and name  N)(segid "GB1A" and resid  20 and name CA) 1.44 0.10 0.10 !A20N-CA
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  20 and name CA) 4.68 2.37 2.37 !D22N-A20CA
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid  20 and name CA) 5.20 4.20 6.53 !M1N-A20CA
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  20 and name CA) 2.70 0.10 0.10 !V21N-A20CA
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  23 and name CA) 1.44 0.10 0.10 !A23N-CA
assign (segid "GB1A" and resid  24 and name  N)(segid "GB1A" and resid  24 and name CA) 1.53 0.10 0.10 !A24N-CA
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  24 and name CA) 2.80 0.10 0.10 !T25N-A24CA
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  26 and name CA) 1.45 0.10 0.10 !A26N-CA
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  26 and name CA) 2.51 0.16 0.16 !E27N-A26CA
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  26 and name CA) 4.24 1.13 1.13 !T25N-A26CA
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  34 and name CA) 1.46 0.10 0.10 !A34N-CA
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  34 and name CA) 2.50 0.12 0.12 !N35N-A34CA
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  48 and name CA) 1.46 0.10 0.10 !A48N-CA
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  48 and name CA) 4.22 1.45 1.45 !D47N-A48CA
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  48 and name CA) 2.49 0.10 0.10 !T49N-A48CA
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  22 and name CA) 2.50 0.16 0.16 !A23N-D22CA
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  22 and name CA) 1.44 0.10 0.10 !D22N-CA
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  22 and name CA) 3.82 0.89 0.89 !V21N-D22CA
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  36 and name CA) 1.44 0.10 0.10 !D36N-CA
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  36 and name CA) 2.51 0.18 0.18 !N37N-D36CA
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CA) 1.48 0.10 0.10 !D40N-CA
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  40 and name CA) 2.59 0.10 0.10 !G41N-D40CA
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  46 and name CA) 4.20 0.98 0.98 !A48N-D46CA
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  46 and name CA) 1.45 0.10 0.10 !D46N-CA
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  46 and name CA) 2.61 0.10 0.10 !D47N-D46CA
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  47 and name CA) 2.82 0.41 0.41 !A48N-D47CA
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  47 and name CA) 1.41 0.10 0.10 !D47N-CA
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  47 and name CA) 5.95 4.95 5.76 !T49N-D47CA
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  15 and name CA) 1.44 0.10 0.10 !E15N-CA
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CA) 2.70 0.20 0.20 !T16N-E15CA
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  19 and name CA) 1.53 0.10 0.10 !E19N-CA
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  27 and name CA) 1.44 0.10 0.10 !E27N-CA
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  27 and name CA) 2.49 0.10 0.10 !K28N-E27CA
assign (segid "GB1A" and resid  42 and name  N)(segid "GB1A" and resid  42 and name CA) 1.06 0.06 0.10 !E42N-CA
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  56 and name CA) 1.44 0.28 0.28 !E56N-CA
assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  30 and name CA) 1.45 0.10 0.10 !F30N-CA
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  30 and name CA) 2.56 0.10 0.10 !K31N-F30CA
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  52 and name CA) 1.43 0.10 0.10 !F52N-CA
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  52 and name CA) 2.64 0.16 0.16 !T53N-F52CA
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  14 and name CA) 1.43 0.10 0.10 !G14N-CA
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  14 and name CA) 2.62 0.14 0.14 !E15N-G14CA
assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  38 and name CA) 1.43 0.10 0.10 !G38N-CA
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  38 and name CA) 4.36 1.53 1.53 !N37N-G38CA
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  38 and name CA) 2.60 0.10 0.10 !V39N-G38CA
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  41 and name CA) 1.47 0.10 0.10 !G41N-CA
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  41 and name CA) 4.34 1.10 1.10 !D40N-G41CA
assign (segid "GB1A" and resid  42 and name  N)(segid "GB1A" and resid  41 and name CA) 2.63 0.10 0.10 !E42N-G41CA
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid   9 and name CA) 1.44 0.10 0.10 !G9N-CA
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid   9 and name CA) 5.64 4.64 5.18 !K13N-G9CA
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   9 and name CA) 4.91 2.64 2.64 !N8N-G9CA
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid   9 and name CA) 2.58 0.17 0.17 !K10N-G9CA
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid   9 and name CA) 4.65 2.55 2.55 !L12N-G9CA
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CA) 1.45 0.10 0.10 !K10N-CA
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CA) 2.53 0.11 0.11 !T11N-K10CA
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  13 and name CA) 2.58 0.14 0.14 !G14N-K13CA
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CA) 1.44 0.10 0.10 !K13N-CA
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CA) 1.44 0.10 0.10 !K28N-CA
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  28 and name CA) 2.39 0.10 0.10 !V29N-K28CA
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  31 and name CA) 1.45 0.10 0.10 !K31N-CA
assign (segid "GB1A" and resid  32 and name  N)(segid "GB1A" and resid  31 and name CA) 2.53 0.12 0.12 !Q32N-K31CA
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CA) 1.44 0.10 0.10 !K4N-CA
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   4 and name CA) 2.54 0.10 0.10 !L5N-K4CA
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CA) 1.44 0.10 0.10 !K50N-CA
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  50 and name CA) 4.95 1.30 1.30 !T49N-K50CA
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  35 and name CA) 2.60 0.10 0.10 !D36N-N35CA
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  35 and name CA) 1.41 0.10 0.10 !N35N-CA
assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  37 and name CA) 2.59 0.21 0.21 !G38N-N37CA
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  37 and name CA) 4.29 1.20 1.20 !N37ND2-CA
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid   8 and name CA) 2.46 0.17 0.17 !G9N-N8CA
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid   8 and name CA) 4.05 0.90 0.90 !N8ND2-CA
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid   2 and name CA) 2.33 0.10 0.10 !Y3N-Q2CA
assign (segid "GB1A" and resid  32 and name  N)(segid "GB1A" and resid  32 and name CA) 1.47 0.10 0.10 !Q32N-CA
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  11 and name CA) 2.56 0.10 0.10 !L12N-T11CA
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  11 and name CA) 1.43 0.43 0.63 !T11N-CA
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  16 and name CA) 1.38 0.10 0.10 !T16N-CA
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  18 and name CA) 2.58 0.15 0.15 !E19N-T18CA
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid  18 and name CA) 1.44 0.10 0.10 !T18N-CA
assign (segid "GB1A" and resid  24 and name  N)(segid "GB1A" and resid  25 and name CA) 4.68 1.60 1.60 !A24N-T25CA
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  25 and name CA) 2.53 0.15 0.15 !A26N-T25CA
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  25 and name CA) 1.49 0.10 0.10 !T25N-CA
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  44 and name CA) 1.43 0.10 0.10 !T44N-CA
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  44 and name CA) 2.59 0.10 0.10 !Y45N-T44CA
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  49 and name CA) 1.44 0.10 0.10 !T49N-CA
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  51 and name CA) 2.59 0.15 0.15 !F52N-T51CA
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  51 and name CA) 4.63 3.27 3.27 !K50N-T51CA
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  51 and name CA) 1.43 0.10 0.10 !T51N-CA
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  53 and name CA) 1.43 0.10 0.10 !T53N-CA
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid  53 and name CA) 2.82 0.10 0.10 !V54N-T53CA
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CA) 2.61 0.18 0.18 !E56N-T55CA
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  55 and name CA) 1.46 0.10 0.10 !T55N-CA
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  43 and name CA) 1.43 0.10 0.10 !W43N-CA
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  33 and name CA) 2.39 0.15 0.15 !A34N-Y33CA
assign (segid "GB1A" and resid  33 and name  N)(segid "GB1A" and resid  33 and name CA) 1.44 0.10 0.10 !Y33N-CA
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   3 and name CA) 2.57 0.19 0.19 !K4N-Y3CA
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   3 and name CA) 4.13 1.02 1.02 !Q2N-Y3CA
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid   3 and name CA) 5.03 4.03 5.10 !T18N-Y3CA
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid   3 and name CA) 1.44 0.10 0.10 !Y3N-CA
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  45 and name CA) 2.56 0.14 0.14 !D46N-Y45CA
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  45 and name CA) 5.95 4.95 6.15 !D47N-Y45CA
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  45 and name CA) 1.44 0.10 0.10 !Y45N-CA
assign (segid "GB1A" and resid  20 and name  N)(segid "GB1A" and resid  20 and name CB) 2.41 0.20 0.20 !A20N-CB
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  20 and name CB) 4.08 0.45 0.45 !A26N-A20CB
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  20 and name CB) 3.92 0.10 0.10 !D22N-A20CB
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  20 and name CB) 3.25 0.10 0.10 !V21N-A20CB
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  23 and name CB) 2.34 0.10 0.10 !A23N-CB
assign (segid "GB1A" and resid  24 and name  N)(segid "GB1A" and resid  24 and name CB) 2.35 0.10 0.10 !A24N-CB
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  24 and name CB) 3.39 0.10 0.10 !T25N-A24CB
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  26 and name CB) 2.42 0.13 0.13 !A26N-CB
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  26 and name CB) 3.36 0.31 0.31 !E27N-A26CB
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  26 and name CB) 5.28 0.98 0.98 !K28N-A26CB
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  34 and name CB) 2.42 0.10 0.10 !A34N-CB
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  34 and name CB) 3.32 0.10 0.10 !N35N-A34CB
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  48 and name CB) 2.45 0.10 0.10 !A48N-CB
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  48 and name CB) 3.38 0.10 0.10 !T49N-A48CB
assign (segid "GB1A" and resid  23 and name  N)(segid "GB1A" and resid  22 and name CB) 3.21 0.10 0.10 !A23N-D22CB
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  22 and name CB) 2.44 0.13 0.13 !D22N-CB
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  36 and name CB) 2.44 0.10 0.10 !D36N-CB
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  36 and name CB) 3.46 0.10 0.10 !N37N-D36CB
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CB) 2.46 0.18 0.18 !D40N-CB
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  40 and name CB) 3.64 0.46 0.46 !G41N-D40CB
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  46 and name CB) 2.48 0.22 0.22 !D46N-CB
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  46 and name CB) 3.90 0.10 0.10 !D47N-D46CB
!violates calc1
!assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  47 and name CB) 4.32 0.18 0.18 !A48N-D47CB
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  47 and name CB) 4.32 1.18 1.18 !A48N-D47CB
!violates calc4
!assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  47 and name CB) 3.00 0.17 0.17 !D47N-CB
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  47 and name CB) 3.00 1.17 1.17 !D47N-CB
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  15 and name CB) 2.50 0.18 0.18 !E15N-CB
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  27 and name CB) 2.42 0.11 0.11 !E27N-CB
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  27 and name CB) 3.20 0.10 0.10 !K28N-E27CB
assign (segid "GB1A" and resid  42 and name  N)(segid "GB1A" and resid  42 and name CB) 2.51 0.14 0.14 !E42N-CB
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  42 and name CB) 3.41 0.29 0.29 !W43N-E42CB
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  56 and name CB) 2.45 0.10 0.10 !E56N-CB
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CB) 2.50 0.32 0.32 !I6N-CB
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   6 and name CB) 3.50 0.10 0.10 !L7N-I6CB
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   6 and name CB) 5.72 0.10 0.10 !V54N-I6CB
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CB) 2.38 0.10 0.10 !K10N-CB
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CB) 3.37 0.10 0.10 !T11N-K10CB
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  13 and name CB) 3.21 0.31 0.31 !G14N-K13CB
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CB) 2.41 0.36 0.36 !K13N-CB
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CB) 2.41 0.10 0.10 !K28N-CB
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  28 and name CB) 3.15 0.14 0.14 !V29N-K28CB
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  31 and name CB) 2.35 0.10 0.10 !K31N-CB
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CB) 2.42 0.10 0.10 !K4N-CB
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   4 and name CB) 3.34 0.12 0.12 !L5N-K4CB
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CB) 2.43 0.10 0.10 !K50N-CB
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CB) 4.66 0.53 0.53 !K50NZ-CB
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  50 and name CB) 4.15 1.07 1.07 !T51N-K50CB
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  12 and name CB) 2.38 0.10 0.10 !L12N-CB
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   7 and name CB) 4.01 1.04 1.04 !G14N-L7CB
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CB) 2.45 0.34 0.34 !L7N-CB
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   7 and name CB) 3.67 0.20 0.20 !N8N-L7CB
!intermoleduclar
!assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid   1 and name CB) 4.87 1.08 1.08 !K31NZ-M1CB
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   1 and name CB) 3.34 0.23 0.23 !Q2N-M1CB
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  35 and name CB) 3.15 0.13 0.13 !D36N-N35CB
assign (segid "GB1A" and resid  35 and name  N)(segid "GB1A" and resid  35 and name CB) 2.42 0.10 0.10 !N35N-CB
!violates calc1
!assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CB) 3.74 0.10 0.10 !N35ND2-CB
assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CB) 3.74 1.10 1.10 !N35ND2-CB
!violates calc5
!assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  37 and name CB) 3.88 0.10 0.10 !G38N-N37CB
assign (segid "GB1A" and resid  38 and name  N)(segid "GB1A" and resid  37 and name CB) 3.88 1.10 1.10 !G38N-N37CB
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  37 and name CB) 2.27 0.10 0.10 !N37N-CB
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  37 and name CB) 2.58 0.11 0.11 !N37ND2-CB
assign (segid "GB1A" and resid  32 and name  N)(segid "GB1A" and resid  32 and name CB) 2.24 0.12 0.12 !Q32N-CB
assign (segid "GB1A" and resid  32 and name NE2)(segid "GB1A" and resid  32 and name CB) 3.91 0.37 0.37 !Q32NE2-CB
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  11 and name CB) 3.58 0.10 0.10 !L12N-T11CB
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  11 and name CB) 2.50 0.10 0.10 !T11N-CB
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  16 and name CB) 2.43 0.13 0.13 !T16N-CB
assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  16 and name CB) 3.24 0.10 0.10 !T17N-T16CB
assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  17 and name CB) 2.15 0.56 0.56 !T17N-CB
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  18 and name CB) 3.26 0.10 0.10 !E19N-T18CB
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid  18 and name CB) 2.46 0.10 0.10 !T18N-CB
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  25 and name CB) 3.48 0.43 0.43 !A26N-T25CB
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  25 and name CB) 2.44 0.15 0.15 !T25N-CB
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  44 and name CB) 2.45 0.10 0.10 !T44N-CB
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  44 and name CB) 4.79 0.59 0.59 !T53N-T44CB
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  44 and name CB) 3.31 0.10 0.10 !Y45N-T44CB
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  49 and name CB) 3.84 0.10 0.10 !K50N-T49CB
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  49 and name CB) 2.45 0.10 0.10 !T49N-CB
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  49 and name CB) 4.81 0.56 0.56 !T51N-T49CB
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  51 and name CB) 5.28 3.00 3.00 !D46N-T51CB
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  51 and name CB) 3.63 0.27 0.27 !F52N-T51CB
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  51 and name CB) 5.51 0.79 0.79 !K50N-T51CB
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  51 and name CB) 5.95 1.79 1.79 !T49N-T51CB
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  51 and name CB) 2.47 0.10 0.10 !T51N-CB
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CB) 3.66 0.10 0.10 !E56N-T55CB
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  55 and name CB) 2.48 0.15 0.15 !T55N-CB
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  21 and name CB) 2.43 0.10 0.10 !V21N-CB
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  15 and name CD) 3.71 0.10 0.10 !E15N-CD
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid  15 and name CD) 5.76 0.10 0.10 !I6N-E15CD
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid  15 and name CD) 5.62 0.10 0.10 !L7N-E15CD
!intermoleduclar
!assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  15 and name CD) 4.63 0.10 0.10 !W43N-E15CD
!intermoleduclar
!assign (segid "GB1A" and resid  42 and name  N)(segid "GB1A" and resid  15 and name CD) 4.03 0.10 0.10 !E42N-E15CD
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid  15 and name CD) 3.71 0.10 0.10 !K4NZ-E15CD
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CD) 4.24 3.24 6.87 !T16N-E15CD
!violates calc1
!assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  19 and name CD) 3.60 0.10 0.10 !E19N-CD
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  19 and name CD) 3.60 1.10 1.10 !E19N-CD
!intermoleduclar
!assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  19 and name CD) 6.40 5.40 7.08 !K13NZ-E19CD
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid  19 and name CD) 4.14 0.24 0.24 !M1N-E19CD
assign (segid "GB1A" and resid   2 and name NE2)(segid "GB1A" and resid  19 and name CD) 5.53 0.25 0.25 !Q2NE2-E19CD
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid  19 and name CD) 6.86 0.35 0.35 !T18N-E19CD
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid  19 and name CD) 7.08 0.35 0.35 !Y3N-E19CD
assign (segid "GB1A" and resid  26 and name  N)(segid "GB1A" and resid  27 and name CD) 6.21 0.10 0.10 !A26N-E27CD
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  27 and name CD) 4.94 0.10 0.10 !E27N-CD
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  27 and name CD) 4.25 0.10 0.10 !K28N-E27CD
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  27 and name CD) 4.00 0.10 0.10 !K31NZ-E27CD
!intermoleduclar
!assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid  27 and name CD) 3.45 2.45 6.61 !M1N-E27CD
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  56 and name CD) 3.42 0.20 0.20 !D40N-E56CD
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  56 and name CD) 4.89 1.06 1.06 !G9N-E56CD
assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  56 and name CD) 5.69 4.69 6.56 !K10NZ-E56CD
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  56 and name CD) 5.45 0.99 0.99 !T11N-E56CD
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  56 and name CD) 4.83 0.74 0.74 !V39N-E56CD
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  56 and name CD) 4.50 0.30 0.30 !G41N-E56CD
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  56 and name CD) 3.60 0.13 0.13 !K10N-E56CD
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  56 and name CD) 7.18 6.18 6.68 !K13NZ-E56CD
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  56 and name CD) 6.50 2.64 2.64 !T55N-E56CD
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.91 1.03 1.03 !E15N-I6CD1
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CD1) 3.62 0.33 0.33 !I6N-CD1
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   6 and name CD1) 4.55 3.55 6.27 !L7N-I6CD1
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.35 3.54 3.54 !T53N-I6CD1
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.65 0.64 0.64 !F52N-I6CD1
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   6 and name CD1) 6.89 1.83 1.83 !K4N-I6CD1
assign (segid "GB1A" and resid   8 and name  N)(segid "GB1A" and resid   6 and name CD1) 7.30 3.14 3.14 !N8N-I6CD1
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   6 and name CD1) 6.82 1.69 1.69 !V54N-I6CD1
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid   6 and name CD1) 7.30 1.98 1.98 !G14N-I6CD1
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid   6 and name CD1) 5.05 0.44 0.44 !K4NZ-I6CD1
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   6 and name CD1) 5.91 1.03 1.03 !T16N-I6CD1
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CD) 4.31 0.10 0.10 !K10N-CD
!violates calc2
!assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CD) 3.52 0.27 0.27 !K10NZ-CD
assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CD) 3.52 1.27 1.27 !K10NZ-CD
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CD) 6.28 1.69 1.69 !T11N-K10CD
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CD) 3.87 0.40 0.40 !K13N-CD
!violates calc4
!assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CD) 2.91 0.10 0.10 !K13NZ-CD
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CD) 2.91 1.10 1.10 !K13NZ-CD
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  28 and name CD) 5.96 1.11 1.11 !E27N-K28CD
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CD) 4.58 0.10 0.10 !K28N-CD
!violates calc1
!assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  28 and name CD) 3.29 0.10 0.10 !K28NZ-CD
assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  28 and name CD) 3.29 1.10 1.10 !K28NZ-CD
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  31 and name CD) 2.32 0.10 0.10 !K31NZ-CD
!violates calc1
!assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid   4 and name CD) 3.25 0.10 0.10 !K4NZ-CD
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid   4 and name CD) 3.25 1.10 1.10 !K4NZ-CD
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   4 and name CD) 5.25 4.25 6.61 !L5N-K4CD
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CD) 3.40 0.10 0.10 !K50N-CD
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CD) 2.63 0.10 0.10 !K50NZ-CD
!violates calc4
!assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  12 and name CD2) 3.43 0.10 0.10 !K13N-L12CD2
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  12 and name CD2) 3.43 1.10 1.10 !K13N-L12CD2
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  12 and name CD2) 4.50 0.17 0.17 !L12N-CD2
!intermoleduclar
!assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  12 and name CD2) 4.41 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   5 and name CD2) 3.19 2.19 4.74 !I6N-L5CD2
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   5 and name CD2) 3.70 0.10 0.10 !T53N-L5CD2
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid   5 and name CD2) 3.67 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   7 and name CD1) 5.02 0.10 0.10 !E15N-L7CD1
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid   7 and name CD1) 5.02 1.10 1.10 !E15N-L7CD1
!violates calc4
!assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CD1) 3.48 0.10 0.10 !L7N-CD1
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CD1) 3.48 1.10 1.10 !L7N-CD1
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid   7 and name CD1) 4.31 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CD2) 3.53 0.12 0.12 !L7N-CD2
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   7 and name CD2) 3.53 1.12 1.12 !L7N-CD2
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   2 and name CD) 5.18 0.82 0.82 !Q2N-CD
!violates calc4
!assign (segid "GB1A" and resid   2 and name NE2)(segid "GB1A" and resid   2 and name CD) 1.75 0.10 0.10 !Q2NE2-CD
assign (segid "GB1A" and resid   2 and name NE2)(segid "GB1A" and resid   2 and name CD) 1.75 0.75 1.10 !Q2NE2-CD
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid   2 and name CD) 6.62 5.62 7.17 !T18N-Q2CD
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  43 and name CD1) 3.70 0.39 0.39 !W43N-CD1
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  43 and name CD1) 1.46 0.10 0.10 !W43NE1-CD1
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  43 and name CD2) 5.28 1.38 1.38 !K31NZ-W43CD2
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  43 and name CD2) 5.02 3.05 3.05 !W43N-CD2
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  43 and name CD2) 2.26 0.10 0.10 !W43NE1-CD2
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  10 and name CE) 5.48 1.21 1.21 !D40N-K10CE
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CE) 4.66 0.43 0.43 !K10N-CE
assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CE) 1.58 0.10 0.10 !K10NZ-CE
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  13 and name CE) 3.65 0.38 0.38 !G9N-K13CE
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  13 and name CE) 4.19 0.67 0.67 !K10N-K13CE
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CE) 1.57 0.10 0.10 !K13NZ-CE
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  13 and name CE) 4.36 0.67 0.67 !T11N-K13CE
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  28 and name CE) 6.61 5.61 5.86 !E27N-K28CE
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CE) 5.95 2.09 2.09 !K28N-CE
assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  28 and name CE) 1.87 0.10 0.10 !K28NZ-CE
!violates cacl4
!assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  31 and name CE) 1.90 0.10 0.10 !K31NZ-CE
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  31 and name CE) 1.90 0.90 1.10 !K31NZ-CE
!violates calc1
!assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CE) 2.20 0.10 0.10 !K50NZ-CE
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid  50 and name CE) 2.20 1.10 1.10 !K50NZ-CE
!intermoleduclar
!assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid   1 and name CE) 3.34 0.10 0.10 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid   1 and name CE) 4.32 0.10 0.10 !K31N-M1CE
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   1 and name CE) 4.06 3.06 6.00 !Q2N-M1CE
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  43 and name CZ2) 4.49 0.25 0.25 !K31N-W43CZ2
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  43 and name CZ2) 2.52 0.17 0.17 !W43NE1-CZ2
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  43 and name CZ3) 4.53 0.10 0.10 !K31N-W43CZ3
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  43 and name CZ3) 6.04 0.10 0.10 !T44N-W43CZ3
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid  43 and name CZ3) 4.55 0.10 0.10 !V54N-W43CZ3
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  43 and name CZ3) 4.10 0.10 0.10 !W43NE1-CZ3
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  43 and name CZ3) 6.38 0.10 0.10 !K31NZ-W43CZ3
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  43 and name CZ3) 4.90 3.90 6.38 !T53N-W43CZ3
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  43 and name CZ3) 6.02 0.10 0.10 !W43N-CZ3
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  36 and name CG) 2.56 0.10 0.10 !D36N-CG
!violates calc4
!assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CG) 4.51 0.32 0.32 !D40N-CG
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  40 and name CG) 4.51 1.32 1.32 !D40N-CG
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  40 and name CG) 4.23 0.15 0.15 !G41N-D40CG
assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  40 and name CG) 5.99 4.99 4.99 !K10NZ-D40CG
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  40 and name CG) 6.60 0.16 0.16 !V39N-D40CG
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  46 and name CG) 3.42 0.10 0.10 !A48N-D46CG
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  46 and name CG) 3.53 0.19 0.19 !D46N-CG
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  46 and name CG) 3.24 0.10 0.10 !D47N-D46CG
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  46 and name CG) 3.67 0.10 0.10 !T49N-D46CG
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  47 and name CG) 3.76 0.51 0.51 !D47N-CG
!intermoleduclar
!assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  47 and name CG) 6.65 5.64 5.64 !L12N-D47CG
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  15 and name CG) 2.49 1.49 6.12 !E15N-CG
!violates calc1
!assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CG) 3.47 0.10 0.10 !T16N-E15CG
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  15 and name CG) 3.47 1.10 1.10 !T16N-E15CG
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  56 and name CG) 2.48 0.25 0.25 !E56N-CG
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  56 and name CG) 5.41 1.40 1.40 !G41N-E56CG
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  56 and name CG) 5.07 1.34 1.34 !G9N-E56CG
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  56 and name CG) 3.86 0.16 0.16 !K10N-E56CG
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  56 and name CG) 6.02 4.84 4.84 !T55N-E56CG
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  30 and name CG) 5.86 1.46 1.46 !A34N-F30CG
assign (segid "GB1A" and resid  27 and name  N)(segid "GB1A" and resid  30 and name CG) 4.82 0.34 0.34 !E27N-F30CG
assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  30 and name CG) 2.99 0.10 0.10 !F30N-CG
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  30 and name CG) 4.42 0.10 0.10 !K31N-F30CG
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid  30 and name CG) 5.68 0.62 0.62 !L5N-F30CG
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  52 and name CG) 2.71 0.14 0.14 !F52N-CG
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  52 and name CG) 5.25 1.11 1.11 !D46N-F52CG
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid  52 and name CG) 6.05 1.49 1.49 !K4N-F52CG
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  52 and name CG) 5.72 1.15 1.15 !Y45N-F52CG
!violates calc1
!assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   6 and name CG1) 3.04 0.10 0.10 !T53N-I6CG1
!violates calc2 removed
!assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid   6 and name CG1) 3.04 1.10 1.10 !T53N-I6CG1
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid   6 and name CG2) 3.97 0.30 0.30 !I6N-CG2
assign (segid "GB1A" and resid   7 and name  N)(segid "GB1A" and resid   6 and name CG2) 3.54 0.10 0.10 !L7N-I6CG2
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  10 and name CG) 6.40 0.12 0.12 !E56N-K10CG
!violates calc4
!assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CG) 3.45 0.10 0.10 !K10N-CG
assign (segid "GB1A" and resid  10 and name  N)(segid "GB1A" and resid  10 and name CG) 3.45 1.10 1.10 !K10N-CG
!violates calc1
!assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CG) 5.95 0.12 0.12 !K10NZ-CG
!violates calc2 removed
!assign (segid "GB1A" and resid  10 and name NZ)(segid "GB1A" and resid  10 and name CG) 5.95 1.12 1.12 !K10NZ-CG
!violates calc4
!assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  10 and name CG) 5.88 0.12 0.12 !L12N-K10CG
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  10 and name CG) 5.88 1.12 1.12 !L12N-K10CG
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  10 and name CG) 4.72 3.72 4.74 !T11N-K10CG
assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  13 and name CG) 4.60 0.10 0.10 !G14N-K13CG
assign (segid "GB1A" and resid  13 and name  N)(segid "GB1A" and resid  13 and name CG) 3.22 0.10 0.10 !K13N-CG
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  13 and name CG) 4.92 2.73 2.73 !G9N-K13CG
!violates calc4
!assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CG) 3.61 0.10 0.10 !K13NZ-CG
assign (segid "GB1A" and resid  13 and name NZ)(segid "GB1A" and resid  13 and name CG) 3.61 1.10 1.10 !K13NZ-CG
assign (segid "GB1A" and resid  28 and name  N)(segid "GB1A" and resid  28 and name CG) 3.14 0.28 0.28 !K28N-CG
assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  28 and name CG) 4.19 0.28 0.28 !K28NZ-CG
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  28 and name CG) 4.41 0.30 0.30 !V29N-K28CG
assign (segid "GB1A" and resid  31 and name  N)(segid "GB1A" and resid  31 and name CG) 2.92 1.92 7.39 !K31N-CG
assign (segid "GB1A" and resid  31 and name NZ)(segid "GB1A" and resid  31 and name CG) 3.76 0.10 0.10 !K31NZ-CG
assign (segid "GB1A" and resid  43 and name NE1)(segid "GB1A" and resid  31 and name CG) 4.40 0.10 0.10 !W43NE1-K31CG
!violates calc1
!assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CG) 3.10 0.10 0.10 !K4N-CG
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   4 and name CG) 3.10 1.10 1.10 !K4N-CG
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  50 and name CG) 2.91 0.58 0.58 !K50N-CG
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  50 and name CG) 4.88 0.90 0.90 !T49N-K50CG
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  50 and name CG) 4.96 0.35 0.35 !T51N-K50CG
!violates calc1
!assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   5 and name CG) 3.05 0.10 0.10 !L5N-CG
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid   5 and name CG) 3.05 1.10 1.10 !L5N-CG
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid   1 and name CG) 3.74 0.20 0.20 !M1N-CG
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   1 and name CG) 2.86 0.10 0.10 !Q2N-M1CG
!violates calc4
!assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CG) 1.88 0.10 0.10 !N35ND2-CG
assign (segid "GB1A" and resid  35 and name ND2)(segid "GB1A" and resid  35 and name CG) 1.88 0.88 1.10 !N35ND2-CG
assign (segid "GB1A" and resid  36 and name  N)(segid "GB1A" and resid  37 and name CG) 5.05 2.33 2.33 !D36N-N37CG
!violates calc4
!assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  37 and name CG) 2.40 0.21 0.21 !N37N-CG
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  37 and name CG) 2.40 1.21 1.21 !N37N-CG
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  37 and name CG) 1.51 0.10 0.10 !N37ND2-CG
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  37 and name CG) 6.32 4.88 4.88 !V39N-N37CG
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid   8 and name CG) 1.43 0.10 0.10 !N8ND2-CG
!intermoleduclar
!assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  11 and name CG2) 4.65 0.41 0.41 !A48N-T11CG2
!intermoleduclar
!assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  11 and name CG2) 5.30 4.30 6.41 !D47N-T11CG2
assign (segid "GB1A" and resid  12 and name  N)(segid "GB1A" and resid  11 and name CG2) 4.94 0.21 0.21 !L12N-T11CG2
assign (segid "GB1A" and resid  11 and name  N)(segid "GB1A" and resid  11 and name CG2) 3.29 0.28 0.28 !T11N-CG2
assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  16 and name CG2) 6.35 0.96 0.96 !E15N-T16CG2
!violates calc4
!assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid  16 and name CG2) 5.18 0.26 0.26 !L5N-T16CG2
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid  16 and name CG2) 5.18 1.26 1.26 !L5N-T16CG2
assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  16 and name CG2) 3.53 0.23 0.23 !T16N-CG2
assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  16 and name CG2) 3.90 0.10 0.10 !T17N-T16CG2
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  17 and name CG2) 5.45 0.10 0.10 !E19N-T17CG2
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid  17 and name CG2) 6.12 0.10 0.10 !K4NZ-T17CG2
assign (segid "GB1A" and resid   2 and name NE2)(segid "GB1A" and resid  17 and name CG2) 4.96 0.10 0.10 !Q2NE2-T17CG2
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid  17 and name CG2) 4.90 3.90 6.33 !K4N-T17CG2
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid  17 and name CG2) 5.46 0.10 0.10 !L5N-T17CG2
!violates calc4
!assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  17 and name CG2) 3.17 0.10 0.10 !T17N-CG2
assign (segid "GB1A" and resid  17 and name  N)(segid "GB1A" and resid  17 and name CG2) 3.17 1.10 1.10 !T17N-CG2
assign (segid "GB1A" and resid  19 and name  N)(segid "GB1A" and resid  18 and name CG2) 3.63 0.10 0.10 !E19N-T18CG2
assign (segid "GB1A" and resid   5 and name  N)(segid "GB1A" and resid  18 and name CG2) 6.15 1.88 1.88 !L5N-T18CG2
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid  18 and name CG2) 3.30 0.10 0.10 !T18N-CG2
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid  18 and name CG2) 4.77 0.35 0.35 !Y3N-T18CG2
assign (segid "GB1A" and resid  22 and name  N)(segid "GB1A" and resid  25 and name CG2) 4.41 3.41 5.78 !D22N-T25CG2
assign (segid "GB1A" and resid  28 and name NZ)(segid "GB1A" and resid  25 and name CG2) 6.07 0.10 0.10 !K28NZ-T25CG2
assign (segid "GB1A" and resid  25 and name  N)(segid "GB1A" and resid  25 and name CG2) 3.51 0.10 0.10 !T25N-CG2
assign (segid "GB1A" and resid  21 and name  N)(segid "GB1A" and resid  25 and name CG2) 4.38 0.10 0.10 !V21N-T25CG2
!intermoleduclar
!assign (segid "GB1A" and resid  15 and name  N)(segid "GB1A" and resid  44 and name CG2) 4.22 0.24 0.24 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1A" and resid  14 and name  N)(segid "GB1A" and resid  44 and name CG2) 5.23 0.98 0.98 !G14N-T44CG2
!intermoleduclar
!assign (segid "GB1A" and resid  16 and name  N)(segid "GB1A" and resid  44 and name CG2) 5.26 1.14 1.14 !T16N-T44CG2
assign (segid "GB1A" and resid  44 and name  N)(segid "GB1A" and resid  44 and name CG2) 3.01 0.96 0.96 !T44N-CG2
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  44 and name CG2) 3.66 0.10 0.10 !T53N-T44CG2
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  44 and name CG2) 5.42 4.42 6.68 !W43N-T44CG2
assign (segid "GB1A" and resid  48 and name  N)(segid "GB1A" and resid  49 and name CG2) 5.29 0.38 0.38 !A48N-T49CG2
assign (segid "GB1A" and resid  50 and name  N)(segid "GB1A" and resid  49 and name CG2) 5.55 0.64 0.64 !K50N-T49CG2
assign (segid "GB1A" and resid  49 and name  N)(segid "GB1A" and resid  49 and name CG2) 3.38 0.10 0.10 !T49N-CG2
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  49 and name CG2) 7.41 6.41 6.75 !T51N-T49CG2
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  51 and name CG2) 3.37 0.10 0.10 !F52N-T51CG2
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid  51 and name CG2) 5.58 0.51 0.51 !K4N-T51CG2
assign (segid "GB1A" and resid   4 and name NZ)(segid "GB1A" and resid  51 and name CG2) 6.40 1.66 1.66 !K4NZ-T51CG2
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  51 and name CG2) 4.02 0.12 0.12 !T51N-CG2
!violates calc1
!assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid  53 and name CG2) 3.39 0.10 0.10 !I6N-T53CG2
assign (segid "GB1A" and resid   6 and name  N)(segid "GB1A" and resid  53 and name CG2) 3.39 1.10 1.10 !I6N-T53CG2
assign (segid "GB1A" and resid  53 and name  N)(segid "GB1A" and resid  53 and name CG2) 3.12 0.12 0.12 !T53N-CG2
!violates calc6
!assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CG2) 3.47 0.10 0.10 !E56N-T55CG2
assign (segid "GB1A" and resid  56 and name  N)(segid "GB1A" and resid  55 and name CG2) 3.47 1.10 1.10 !E56N-T55CG2
assign (segid "GB1A" and resid   8 and name ND2)(segid "GB1A" and resid  55 and name CG2) 4.39 3.39 7.09 !N8ND2-T55CG2
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  55 and name CG2) 3.46 0.10 0.10 !T55N-CG2
assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  55 and name CG2) 5.72 0.10 0.10 !W43N-T55CG2
assign (segid "GB1A" and resid  30 and name  N)(segid "GB1A" and resid  29 and name CG1) 3.57 0.24 0.24 !F30N-V29CG1
assign (segid "GB1A" and resid  29 and name  N)(segid "GB1A" and resid  29 and name CG2) 2.75 0.50 0.50 !V29N-CG2
!violates calc4
!assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  39 and name CG1) 3.81 0.10 0.10 !D40N-V39CG1
assign (segid "GB1A" and resid  40 and name  N)(segid "GB1A" and resid  39 and name CG1) 3.81 1.10 1.10 !D40N-V39CG1
assign (segid "GB1A" and resid   9 and name  N)(segid "GB1A" and resid  39 and name CG1) 5.67 0.10 0.10 !G9N-V39CG1
assign (segid "GB1A" and resid  39 and name  N)(segid "GB1A" and resid  39 and name CG1) 3.11 0.34 0.34 !V39N-CG1
assign (segid "GB1A" and resid  55 and name  N)(segid "GB1A" and resid  54 and name CG1) 4.20 0.10 0.10 !T55N-V54CG1
assign (segid "GB1A" and resid  54 and name  N)(segid "GB1A" and resid  54 and name CG1) 3.18 2.18 6.39 !V54N-CG1
!violates calc1
!assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  54 and name CG1) 4.90 0.10 0.10 !W43N-V54CG1
!violates again calc4 removed
!assign (segid "GB1A" and resid  43 and name  N)(segid "GB1A" and resid  54 and name CG1) 4.90 1.10 1.10 !W43N-V54CG1
assign (segid "GB1A" and resid  41 and name  N)(segid "GB1A" and resid  54 and name CG2) 2.93 0.10 0.10 !G41N-V54CG2
assign (segid "GB1A" and resid  34 and name  N)(segid "GB1A" and resid  33 and name CG) 3.35 0.10 0.10 !A34N-Y33CG
assign (segid "GB1A" and resid  37 and name  N)(segid "GB1A" and resid  33 and name CG) 5.27 0.11 0.11 !N37N-Y33CG
!violates calc6
!assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  33 and name CG) 3.86 0.10 0.10 !N37ND2-Y33CG
assign (segid "GB1A" and resid  37 and name ND2)(segid "GB1A" and resid  33 and name CG) 3.86 1.10 1.10 !N37ND2-Y33CG
assign (segid "GB1A" and resid  33 and name  N)(segid "GB1A" and resid  33 and name CG) 3.47 0.10 0.10 !Y33N-CG
assign (segid "GB1A" and resid   4 and name  N)(segid "GB1A" and resid   3 and name CG) 4.15 0.27 0.27 !K4N-Y3CG
assign (segid "GB1A" and resid   1 and name  N)(segid "GB1A" and resid   3 and name CG) 6.34 3.28 3.28 !M1N-Y3CG
assign (segid "GB1A" and resid  18 and name  N)(segid "GB1A" and resid   3 and name CG) 5.56 1.21 1.21 !T18N-Y3CG
assign (segid "GB1A" and resid   3 and name  N)(segid "GB1A" and resid   3 and name CG) 3.07 0.34 0.34 !Y3N-CG
assign (segid "GB1A" and resid  50 and name NZ)(segid "GB1A" and resid   3 and name CG) 6.69 5.69 6.95 !K50NZ-Y3CG
assign (segid "GB1A" and resid   2 and name  N)(segid "GB1A" and resid   3 and name CG) 4.65 0.48 0.48 !Q2N-Y3CG
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid   3 and name CG) 6.08 2.37 2.37 !T51N-Y3CG
assign (segid "GB1A" and resid  46 and name  N)(segid "GB1A" and resid  45 and name CG) 3.27 0.10 0.10 !D46N-Y45CG
assign (segid "GB1A" and resid  47 and name  N)(segid "GB1A" and resid  45 and name CG) 4.19 0.10 0.10 !D47N-Y45CG
assign (segid "GB1A" and resid  52 and name  N)(segid "GB1A" and resid  45 and name CG) 4.93 0.52 0.52 !F52N-Y45CG
assign (segid "GB1A" and resid  51 and name  N)(segid "GB1A" and resid  45 and name CG) 5.08 0.55 0.55 !T51N-Y45CG
assign (segid "GB1A" and resid  45 and name  N)(segid "GB1A" and resid  45 and name CG) 3.67 0.29 0.29 !Y45N-CG

!for calc's 1-3 violators were lengthen if they violated by 0.5
!for calc 4-7 violators were lenthened if they violated by 0.3
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    20 and name CA) 2.10 0.13 0.13 !V21N-A20CA
assign (segid "GB1B" and resid    24 and name  N)(segid "GB1B" and resid    24 and name CA) 1.51 0.10 0.10 !A24N-CA
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    24 and name CA) 2.90 0.20 0.20 !T25N-A24CA
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    34 and name CA) 1.51 0.10 0.10 !A34N-CA
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    34 and name CA) 2.81 0.10 0.10 !N35N-A34CA
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    48 and name CA) 1.50 0.10 0.10 !A48N-CA
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    48 and name CA) 2.81 0.18 0.18 !T49N-A48CA
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    22 and name CA) 2.60 0.18 0.18 !A23N-D22CA
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    22 and name CA) 1.46 0.10 0.10 !D22N-CA
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    36 and name CA) 1.45 0.10 0.10 !D36N-CA
!violates cacl4 
!assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    36 and name CA) 2.94 0.18 0.18 !N37N-D36CA
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    36 and name CA) 2.94 1.18 1.18 !N37N-D36CA
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CA) 1.50 0.10 0.10 !D40N-CA
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    40 and name CA) 2.62 0.10 0.10 !G41N-D40CA
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    46 and name CA) 1.44 0.10 0.10 !D46N-CA
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    46 and name CA) 2.76 0.19 0.19 !D47N-D46CA
!violates cacl4
!assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    47 and name CA) 3.48 0.65 0.65 !A48N-D47CA
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    47 and name CA) 3.48 1.65 1.65 !A48N-D47CA
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    47 and name CA) 1.51 0.10 0.10 !D47N-CA
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    15 and name CA) 1.46 0.10 0.10 !E15N-CA
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CA) 2.62 0.15 0.15 !T16N-E15CA
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    19 and name CA) 1.47 0.10 0.10 !E19N-CA
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    27 and name CA) 1.48 0.10 0.10 !E27N-CA
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    27 and name CA) 2.53 0.13 0.13 !K28N-E27CA
assign (segid "GB1B" and resid    42 and name  N)(segid "GB1B" and resid    42 and name CA) 1.42 0.10 0.10 !E42N-CA
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    42 and name CA) 2.61 0.20 0.20 !W43N-E42CA
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    56 and name CA) 1.44 0.10 0.10 !E56N-CA
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    14 and name CA) 2.81 0.22 0.22 !E15N-G14CA
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    14 and name CA) 1.44 0.10 0.10 !G14N-CA
assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    38 and name CA) 1.49 0.10 0.10 !G38N-CA
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    38 and name CA) 2.53 0.12 0.12 !V39N-G38CA
assign (segid "GB1B" and resid    42 and name  N)(segid "GB1B" and resid    41 and name CA) 2.68 0.14 0.14 !E42N-G41CA
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    41 and name CA) 1.46 0.10 0.10 !G41N-CA
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid     9 and name CA) 1.42 0.10 0.10 !G9N-CA
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid     9 and name CA) 2.48 0.10 0.10 !K10N-G9CA
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CA) 1.44 0.10 0.10 !I6N-CA
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     6 and name CA) 2.21 0.10 0.10 !L7N-I6CA
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CA) 2.47 0.10 0.10 !T11N-K10CA
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    13 and name CA) 2.51 0.10 0.10 !G14N-K13CA
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CA) 1.46 0.10 0.10 !K13N-CA
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CA) 1.47 0.10 0.10 !K28N-CA
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    28 and name CA) 2.29 0.10 0.10 !V29N-K28CA
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    31 and name CA) 1.47 0.10 0.10 !K31N-CA
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CA) 1.43 0.10 0.10 !K4N-CA
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CA) 1.42 0.10 0.10 !K50N-CA
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    12 and name CA) 1.43 0.10 0.10 !L12N-CA
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    12 and name CA) 5.07 1.94 1.94 !T11N-L12CA
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     5 and name CA) 1.42 0.10 0.10 !L5N-CA
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     7 and name CA) 5.10 4.10 6.34 !G14N-L7CA
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid     7 and name CA) 5.32 4.32 6.66 !G9N-L7CA
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CA) 1.45 0.12 0.12 !L7N-CA
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     7 and name CA) 2.56 0.10 0.10 !N8N-L7CA
!violates calc4
!assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     7 and name CA) 3.85 0.86 0.86 !V54N-L7CA
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     7 and name CA) 3.85 1.86 1.86 !V54N-L7CA
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid     1 and name CA) 1.48 0.10 0.10 !M1N-CA
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    35 and name CA) 3.57 0.58 0.58 !A34N-N35CA
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    35 and name CA) 2.59 0.15 0.15 !D36N-N35CA
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    35 and name CA) 1.47 0.10 0.10 !N35N-CA
assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    37 and name CA) 2.74 0.18 0.18 !G38N-N37CA
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid     8 and name CA) 2.55 0.13 0.13 !G9N-N8CA
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     2 and name CA) 1.44 0.10 0.10 !Q2N-CA
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid     2 and name CA) 2.55 0.11 0.11 !Y3N-Q2CA
assign (segid "GB1B" and resid    32 and name  N)(segid "GB1B" and resid    32 and name CA) 1.42 0.10 0.10 !Q32N-CA
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    11 and name CA) 2.58 0.13 0.13 !L12N-T11CA
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    11 and name CA) 1.45 0.10 0.10 !T11N-CA
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    18 and name CA) 2.64 0.15 0.15 !E19N-T18CA
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid    18 and name CA) 1.43 0.10 0.10 !T18N-CA
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    25 and name CA) 2.73 0.21 0.21 !A26N-T25CA
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    25 and name CA) 1.44 0.10 0.10 !T25N-CA
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    44 and name CA) 1.45 0.10 0.10 !T44N-CA
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    44 and name CA) 2.58 1.58 5.09 !Y45N-T44CA
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    51 and name CA) 2.71 0.16 0.16 !F52N-T51CA
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    51 and name CA) 1.45 0.10 0.10 !T51N-CA
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    53 and name CA) 1.49 0.10 0.10 !T53N-CA
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CA) 2.66 0.16 0.16 !E56N-T55CA
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    55 and name CA) 1.43 0.10 0.10 !T55N-CA
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    29 and name CA) 1.49 0.10 0.10 !V29N-CA
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    39 and name CA) 2.35 0.11 0.11 !D40N-V39CA
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    39 and name CA) 1.43 0.10 0.10 !V39N-CA
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    54 and name CA) 2.66 0.15 0.15 !T55N-V54CA
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid    54 and name CA) 1.45 0.10 0.10 !V54N-CA
assign (segid "GB1B" and resid    20 and name  N)(segid "GB1B" and resid    20 and name CB) 2.46 0.10 0.10 !A20N-CB
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    20 and name CB) 4.43 0.10 0.10 !A26N-A20CB
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid    20 and name CB) 6.16 3.33 3.33 !M1N-A20CB
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    20 and name CB) 3.27 0.10 0.10 !V21N-A20CB
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    23 and name CB) 2.49 0.15 0.15 !A23N-CB
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    23 and name CB) 6.58 2.81 2.81 !K50NZ-A23CB
assign (segid "GB1B" and resid    24 and name  N)(segid "GB1B" and resid    24 and name CB) 2.75 0.23 0.23 !A24N-CB
assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    24 and name CB) 6.94 5.94 7.30 !K28NZ-A24CB
!violates calc4
!assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    24 and name CB) 3.82 0.10 0.10 !T25N-A24CB
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    24 and name CB) 3.82 1.10 1.10 !T25N-A24CB
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    26 and name CB) 6.01 2.10 2.10 !A23N-A26CB
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    26 and name CB) 2.46 0.10 0.10 !A26N-CB
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    26 and name CB) 3.34 0.10 0.10 !E27N-A26CB
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    26 and name CB) 5.74 4.74 6.86 !K28N-A26CB
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    34 and name CB) 2.44 0.10 0.10 !A34N-CB
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    34 and name CB) 5.30 1.79 1.79 !G41N-A34CB
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    34 and name CB) 3.29 0.10 0.10 !N35N-A34CB
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    34 and name CB) 4.46 0.86 0.86 !V39N-A34CB
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    34 and name CB) 5.90 3.20 3.20 !W43NE1-A34CB
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    48 and name CB) 2.50 0.10 0.10 !A48N-CB
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    48 and name CB) 5.36 1.05 1.05 !D47N-A48CB
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    48 and name CB) 6.83 0.86 0.86 !K50NZ-A48CB
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    48 and name CB) 3.39 0.20 0.20 !T49N-A48CB
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    22 and name CB) 2.93 0.10 0.10 !A23N-D22CB
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    22 and name CB) 2.52 0.10 0.10 !D22N-CB
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    36 and name CB) 2.41 0.10 0.10 !D36N-CB
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    36 and name CB) 3.38 0.30 0.30 !N37N-D36CB
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    36 and name CB) 5.05 1.82 1.82 !N37ND2-D36CB
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CB) 2.51 0.10 0.10 !D40N-CB
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    40 and name CB) 3.60 0.17 0.17 !G41N-D40CB
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    46 and name CB) 2.46 0.10 0.10 !D46N-CB
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    47 and name CB) 3.70 0.50 0.50 !A48N-D47CB
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    47 and name CB) 2.46 0.38 0.38 !D47N-CB
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    15 and name CB) 2.95 0.59 0.59 !E15N-CB
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CB) 2.81 0.29 0.29 !T16N-E15CB
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    27 and name CB) 2.42 0.15 0.15 !E27N-CB
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    27 and name CB) 2.99 0.26 0.26 !K28N-E27CB
!violates calc4
!assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    56 and name CB) 2.96 0.10 0.10 !E56N-CB
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    56 and name CB) 2.96 1.10 1.10 !E56N-CB
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    56 and name CB) 4.24 0.20 0.20 !G41N-E56CB
!violates calc4
!assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    56 and name CB) 4.72 0.75 0.75 !G9N-E56CB
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    56 and name CB) 4.72 1.75 1.75 !G9N-E56CB
assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    30 and name CB) 2.47 0.10 0.10 !F30N-CB
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    30 and name CB) 3.06 0.10 0.10 !K31N-F30CB
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    52 and name CB) 2.32 0.10 0.10 !F52N-CB
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CB) 2.61 0.10 0.10 !I6N-CB
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    10 and name CB) 6.40 5.40 7.12 !G9N-K10CB
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CB) 2.44 0.10 0.10 !K10N-CB
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CB) 3.31 0.10 0.10 !T11N-K10CB
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    13 and name CB) 3.37 0.10 0.10 !G14N-K13CB
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CB) 2.45 0.20 0.20 !K13N-CB
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CB) 2.43 0.10 0.10 !K28N-CB
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    28 and name CB) 3.17 0.12 0.12 !V29N-K28CB
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    31 and name CB) 2.62 0.10 0.10 !K31N-CB
assign (segid "GB1B" and resid    32 and name  N)(segid "GB1B" and resid    31 and name CB) 3.12 0.10 0.10 !Q32N-K31CB
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CB) 2.43 0.21 0.21 !K4N-CB
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     4 and name CB) 3.50 0.44 0.44 !L5N-K4CB
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CB) 2.51 0.23 0.23 !K50N-CB
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CB) 4.50 0.80 0.80 !K50NZ-CB
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    50 and name CB) 5.28 1.57 1.57 !T49N-K50CB
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    50 and name CB) 4.24 0.68 0.68 !T51N-K50CB
!intermolecular
!assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid     1 and name CB) 4.94 3.94 6.46 !K31NZ-M1CB
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid     1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     1 and name CB) 3.32 0.10 0.10 !Q2N-M1CB
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    35 and name CB) 3.02 0.10 0.10 !D36N-N35CB
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    35 and name CB) 2.47 0.16 0.16 !N35N-CB
!violates calc1
!assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CB) 3.54 0.27 0.27 !N35ND2-CB
assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CB) 3.54 1.27 1.27 !N35ND2-CB
assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    37 and name CB) 3.70 2.70 5.81 !G38N-N37CB
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    37 and name CB) 2.39 0.25 0.25 !N37N-CB
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    37 and name CB) 2.63 1.63 2.70 !N37ND2-CB
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     8 and name CB) 2.21 0.10 0.10 !N8N-CB
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid     8 and name CB) 2.71 0.47 0.47 !N8ND2-CB
!violates calc1
!assign (segid "GB1B" and resid    32 and name NE2)(segid "GB1B" and resid    32 and name CB) 2.43 0.10 0.10 !Q32NE2-CB
assign (segid "GB1B" and resid    32 and name NE2)(segid "GB1B" and resid    32 and name CB) 2.43 1.10 1.10 !Q32NE2-CB
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    11 and name CB) 3.58 2.58 5.51 !L12N-T11CB
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    11 and name CB) 2.54 0.10 0.10 !T11N-CB
assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    17 and name CB) 2.52 0.17 0.17 !T17N-CB
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    18 and name CB) 3.30 0.10 0.10 !E19N-T18CB
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid    18 and name CB) 2.47 1.47 4.87 !T18N-CB
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    25 and name CB) 3.15 0.37 0.37 !A26N-T25CB
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    25 and name CB) 2.50 0.20 0.20 !T25N-CB
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    44 and name CB) 2.47 0.38 0.38 !T44N-CB
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    44 and name CB) 3.22 0.10 0.10 !Y45N-T44CB
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    49 and name CB) 3.81 0.35 0.35 !K50N-T49CB
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    49 and name CB) 2.50 0.28 0.28 !T49N-CB
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    49 and name CB) 5.23 1.16 1.16 !T51N-T49CB
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    51 and name CB) 4.89 1.00 1.00 !D46N-T51CB
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    51 and name CB) 3.68 0.10 0.10 !F52N-T51CB
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    51 and name CB) 5.16 1.74 1.74 !K50N-T51CB
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    51 and name CB) 2.50 0.11 0.11 !T51N-CB
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CB) 3.67 0.10 0.10 !E56N-T55CB
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid    55 and name CB) 5.28 4.28 6.62 !N8N-T55CB
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid    55 and name CB) 5.28 2.29 2.29 !N8ND2-T55CB
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    55 and name CB) 2.50 0.10 0.10 !T55N-CB
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    43 and name CB) 2.81 0.10 0.10 !T44N-W43CB
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    33 and name CB) 3.44 0.64 0.64 !A34N-Y33CB
assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    33 and name CB) 3.82 0.28 0.28 !F30N-Y33CB
assign (segid "GB1B" and resid    33 and name  N)(segid "GB1B" and resid    33 and name CB) 2.47 0.34 0.34 !Y33N-CB
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    45 and name CB) 2.35 0.10 0.10 !Y45N-CB
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.67 0.16 0.16 !E15N-I6CD1
!violates calc1
!assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     6 and name CD1) 6.34 0.15 0.15 !G14N-I6CD1
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     6 and name CD1) 6.34 1.15 1.15 !G14N-I6CD1
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid     6 and name CD1) 4.60 0.15 0.15 !K4NZ-I6CD1
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.74 0.16 0.16 !T16N-I6CD1
!violates calc2
!assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     6 and name CD1) 6.79 0.17 0.17 !V54N-I6CD1
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     6 and name CD1) 6.79 1.17 1.17 !V54N-I6CD1
!violates cacl5
!assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.43 0.14 0.14 !F52N-I6CD1
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.43 1.14 1.14 !F52N-I6CD1
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CD1) 3.39 0.10 0.10 !I6N-CD1
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     6 and name CD1) 4.74 3.74 6.54 !L7N-I6CD1
!violates calc1
!assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.10 0.10 0.10 !T53N-I6CD1
!violates calc 6 removed
!assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.10 1.10 1.10 !T53N-I6CD1
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    10 and name CD) 5.71 1.51 1.51 !E56N-K10CD
!violates calc1
!assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CD) 2.72 0.21 0.21 !K10NZ-CD
assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CD) 2.72 1.21 1.21 !K10NZ-CD
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CD) 5.58 1.45 1.45 !T11N-K10CD
!violates calc4
!assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CD) 4.35 0.10 0.10 !K13N-CD
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CD) 4.35 1.10 1.10 !K13N-CD
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CD) 2.66 0.33 0.33 !K13NZ-CD
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CD) 4.32 0.29 0.29 !K28N-CD
assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    28 and name CD) 2.88 0.10 0.10 !K28NZ-CD
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    28 and name CD) 6.84 2.84 2.84 !V29N-K28CD
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    31 and name CD) 2.52 0.15 0.15 !K31NZ-CD
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CD) 4.87 0.10 0.10 !K4N-CD
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid     4 and name CD) 2.95 1.95 5.26 !K4NZ-CD
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     4 and name CD) 5.11 0.10 0.10 !L5N-K4CD
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CD) 3.32 0.10 0.10 !K50N-CD
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CD) 2.26 0.13 0.13 !K50NZ-CD
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    50 and name CD) 6.06 5.06 6.80 !T49N-K50CD
assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    12 and name CD1) 4.31 0.10 0.10 !G38N-L12CD1
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    12 and name CD1) 3.06 0.10 0.10 !N37ND2-L12CD1
!intermoleduclar
!assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    12 and name CD2) 3.98 0.47 0.47 !D46N-L12CD2
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    12 and name CD2) 5.65 1.47 1.47 !G9N-L12CD2
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    12 and name CD2) 3.99 0.10 0.10 !L12N-CD2
!intermoleduclar
!assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    12 and name CD2) 1.00 0.00 0.10 !T44N-L12CD2
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    12 and name CD2) 5.17 0.83 0.83 !G14N-L12CD2
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    12 and name CD2) 3.44 0.43 0.43 !K13N-L12CD2
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    12 and name CD2) 5.68 1.54 1.54 !N37ND2-L12CD2
!intermoleduclar
!assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    12 and name CD2) 4.31 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid     5 and name CD2) 4.87 0.10 0.10 !F52N-L5CD2
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     5 and name CD2) 3.29 0.10 0.10 !I6N-L5CD2
!violates calc4
!assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     5 and name CD2) 5.36 0.10 0.10 !T16N-L5CD2
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     5 and name CD2) 5.36 1.10 1.10 !T16N-L5CD2
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     5 and name CD2) 3.92 2.92 5.64 !T53N-L5CD2
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     5 and name CD2) 3.77 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     7 and name CD1) 3.98 0.10 0.10 !E15N-L7CD1
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     7 and name CD1) 3.98 1.10 1.10 !E15N-L7CD1
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CD1) 3.28 0.10 0.10 !L7N-CD1
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     7 and name CD1) 4.79 3.79 4.73 !N8N-L7CD1
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     7 and name CD1) 4.06 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     7 and name CD2) 4.76 0.10 0.10 !E15N-L7CD2
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     7 and name CD2) 4.76 1.10 1.10 !E15N-L7CD2
!violates calc4
!assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     7 and name CD2) 5.08 0.14 0.14 !G14N-L7CD2
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     7 and name CD2) 5.08 1.14 1.14 !G14N-L7CD2
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid     7 and name CD2) 5.09 4.09 6.54 !G9N-L7CD2
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid     7 and name CD2) 4.79 0.16 0.16 !K13N-L7CD2
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid     7 and name CD2) 6.73 0.16 0.16 !K13NZ-L7CD2
!violates calc4
!assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CD2) 3.50 0.10 0.10 !L7N-CD2
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CD2) 3.50 1.10 1.10 !L7N-CD2
!violates calc4
!assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     7 and name CD2) 4.61 0.10 0.10 !N8N-L7CD2
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     7 and name CD2) 4.61 1.10 1.10 !N8N-L7CD2
!violates calc4
!assign (segid "GB1B" and resid     2 and name NE2)(segid "GB1B" and resid     2 and name CD) 1.82 0.10 0.10 !Q2NE2-CD
assign (segid "GB1B" and resid     2 and name NE2)(segid "GB1B" and resid     2 and name CD) 1.82 0.82 1.10 !Q2NE2-CD
assign (segid "GB1B" and resid    32 and name NE2)(segid "GB1B" and resid    32 and name CD) 1.70 0.10 0.10 !Q32NE2-CD
!violates calc4
!assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CE) 1.92 0.10 0.10 !K10NZ-CE
assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CE) 1.92 0.92 1.10 !K10NZ-CE
!violates calc1
!assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CE) 2.26 0.10 0.10 !K13NZ-CE
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CE) 2.26 1.10 1.10 !K13NZ-CE
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CE) 5.45 1.95 1.95 !K28N-CE
assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    28 and name CE) 1.88 0.10 0.10 !K28NZ-CE
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    31 and name CE) 1.61 0.10 0.10 !K31NZ-CE
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CE) 1.59 0.10 0.10 !K50NZ-CE
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid     1 and name CE) 4.20 1.04 1.04 !A23N-M1CE
!intermoleduclar
!assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid     1 and name CE) 4.49 0.50 0.50 !K28NZ-M1CE
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid     1 and name CE) 3.83 0.10 0.10 !K50NZ-M1CE
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid     1 and name CE) 5.00 0.10 0.10 !V21N-M1CE
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid     1 and name CE) 5.35 0.84 0.84 !D22N-M1CE
!intermoleduclar
!assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid     1 and name CE) 4.73 0.58 0.58 !K31N-M1CE
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid     1 and name CE) 3.77 0.60 0.60 !M1N-CE
!intermoleduclar
!assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid     1 and name CE) 4.74 2.15 2.15 !V29N-M1CE
!intermoleduclar
!assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid     1 and name CE) 3.54 0.49 0.49 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid     1 and name CE) 3.63 0.57 0.57 !K31NZ-M1CE
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     1 and name CE) 4.20 1.04 1.04 !Q2N-M1CE
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid     1 and name CE) 5.42 1.45 1.45 !Y3N-M1CE
!violates calc1
!assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CG) 2.82 0.10 0.10 !D40N-CG
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CG) 2.82 1.10 1.10 !D40N-CG
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    40 and name CG) 3.57 0.10 0.10 !G41N-D40CG
!violates calc1
!assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CG) 3.22 0.11 0.11 !T16N-E15CG
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CG) 3.22 1.11 1.11 !T16N-E15CG
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    15 and name CG) 2.77 0.10 0.10 !E15N-CG
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    27 and name CG) 5.36 0.10 0.10 !A26N-E27CG
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    27 and name CG) 3.28 0.11 0.11 !K28N-E27CG
!violates calc4
!assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    27 and name CG) 3.67 0.10 0.10 !K31NZ-E27CG
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    27 and name CG) 3.67 1.10 1.10 !K31NZ-E27CG
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    27 and name CG) 3.30 0.10 0.10 !E27N-CG
!violates calc1
!assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    27 and name CG) 4.19 0.10 0.10 !K31N-E27CG
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    27 and name CG) 4.19 1.10 1.10 !K31N-E27CG
!intermoleduclar
!assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid    27 and name CG) 4.23 3.23 5.29 !M1N-E27CG
assign (segid "GB1B" and resid    42 and name  N)(segid "GB1B" and resid    42 and name CG) 2.56 0.12 0.12 !E42N-CG
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    56 and name CG) 2.50 0.10 0.10 !E56N-CG
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CG1) 2.76 0.10 0.10 !I6N-CG1
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     6 and name CG1) 4.35 0.27 0.27 !L7N-I6CG1
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     6 and name CG1) 5.40 1.12 1.12 !T53N-I6CG1
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     6 and name CG2) 5.57 1.65 1.65 !E15N-I6CG2
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid     6 and name CG2) 6.40 5.40 6.76 !G9N-I6CG2
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     6 and name CG2) 3.04 0.10 0.10 !L7N-I6CG2
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     6 and name CG2) 5.64 1.93 1.93 !T16N-I6CG2
!violates calc4
!assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid     6 and name CG2) 5.56 1.28 1.28 !F52N-I6CG2
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid     6 and name CG2) 5.56 2.28 2.28 !F52N-I6CG2
!violates calc4
!assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CG2) 3.30 0.10 0.10 !I6N-CG2
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CG2) 3.30 1.10 1.10 !I6N-CG2
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     6 and name CG2) 4.67 0.24 0.24 !N8N-I6CG2
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     6 and name CG2) 5.81 4.81 6.83 !T53N-I6CG2
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     6 and name CG2) 5.46 1.46 1.46 !G14N-I6CG2
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid     6 and name CG2) 7.30 5.73 5.73 !K4NZ-I6CG2
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid     6 and name CG2) 5.57 1.65 1.65 !N8ND2-I6CG2
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CG) 2.87 0.10 0.10 !K10N-CG
assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CG) 3.89 0.10 0.10 !K10NZ-CG
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CG) 4.25 0.20 0.20 !T11N-K10CG
!violates calc1
!assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    13 and name CG) 3.41 0.10 0.10 !G14N-K13CG
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    13 and name CG) 3.41 1.10 1.10 !G14N-K13CG
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    13 and name CG) 4.27 0.10 0.10 !G9N-K13CG
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CG) 3.06 0.10 0.10 !K13N-CG
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CG) 4.10 3.10 6.02 !K13NZ-CG
!intermoleduclar
!assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    13 and name CG) 4.23 0.10 0.10 !Y45N-K13CG
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CG) 2.67 0.22 0.22 !K28N-CG
!violates calc4
!assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    31 and name CG) 2.43 0.16 0.16 !K31N-CG
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    31 and name CG) 2.43 1.16 1.16 !K31N-CG
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CG) 3.94 0.10 0.10 !K4N-CG
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     4 and name CG) 3.43 0.10 0.10 !L5N-K4CG
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     4 and name CG) 4.42 0.28 0.28 !T16N-K4CG
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid     4 and name CG) 5.30 2.33 2.33 !T51N-K4CG
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CG) 2.70 0.29 0.29 !K50N-CG
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CG) 3.74 0.27 0.27 !K50NZ-CG
!violates calc4
!assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    12 and name CG) 3.08 0.10 0.10 !K13N-L12CG
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    12 and name CG) 3.08 1.10 1.10 !K13N-L12CG
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid     1 and name CG) 3.61 0.50 0.50 !M1N-CG
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     1 and name CG) 3.01 0.10 0.10 !Q2N-M1CG
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid     1 and name CG) 5.88 4.88 6.46 !V21N-M1CG
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid     1 and name CG) 4.82 1.41 1.41 !Y3N-M1CG
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    35 and name CG) 3.53 0.10 0.10 !N35N-CG
!violates calc4
!assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CG) 1.87 0.10 0.10 !N35ND2-CG
assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CG) 1.87 0.87 1.10 !N35ND2-CG
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    37 and name CG) 1.42 0.10 0.10 !N37ND2-CG
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid     8 and name CG) 1.41 0.10 0.10 !N8ND2-CG
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     2 and name CG) 3.12 0.10 0.10 !Q2N-CG
assign (segid "GB1B" and resid     2 and name NE2)(segid "GB1B" and resid     2 and name CG) 2.78 0.10 0.10 !Q2NE2-CG
assign (segid "GB1B" and resid    32 and name NE2)(segid "GB1B" and resid    32 and name CG) 2.59 0.12 0.12 !Q32NE2-CG
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    11 and name CG2) 4.38 0.40 0.40 !L12N-T11CG2
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    11 and name CG2) 2.80 0.12 0.12 !T11N-CG2
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid    16 and name CG2) 4.83 0.98 0.98 !L5N-T16CG2
!violates calc1
!assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    16 and name CG2) 2.63 0.37 0.37 !T16N-CG2
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    16 and name CG2) 2.63 1.37 1.37 !T16N-CG2
!violates calc1
!assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    17 and name CG2) 2.56 0.21 0.21 !T17N-CG2
assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    17 and name CG2) 2.56 1.21 1.21 !T17N-CG2
!violates calc4
!assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    18 and name CG2) 3.07 0.10 0.10 !E19N-T18CG2
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    18 and name CG2) 3.07 1.10 1.10 !E19N-T18CG2
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid    18 and name CG2) 2.81 0.10 0.10 !T18N-CG2
!violates calc4
!assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    25 and name CG2) 2.72 0.10 0.10 !T25N-CG2
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    25 and name CG2) 2.72 1.10 1.10 !T25N-CG2
!intermoleduclar
!assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    44 and name CG2) 3.44 0.10 0.10 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    44 and name CG2) 4.85 0.86 0.86 !G14N-T44CG2
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    44 and name CG2) 2.71 0.11 0.11 !T44N-CG2
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    49 and name CG2) 5.16 0.88 0.88 !K50N-T49CG2
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    49 and name CG2) 2.88 0.25 0.25 !T49N-CG2
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    49 and name CG2) 5.12 0.90 0.90 !T51N-T49CG2
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    51 and name CG2) 3.18 0.15 0.15 !F52N-T51CG2
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid    51 and name CG2) 5.15 0.40 0.40 !K4N-T51CG2
!violates calc4
!assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    51 and name CG2) 3.23 0.10 0.10 !T51N-CG2
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    51 and name CG2) 3.23 1.10 1.10 !T51N-CG2
!violates calc1
!assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid    53 and name CG2) 3.54 0.10 0.10 !I6N-T53CG2
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid    53 and name CG2) 3.54 1.10 1.10 !I6N-T53CG2
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    53 and name CG2) 2.97 0.10 0.10 !T53N-CG2
!violates calc4
!assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CG2) 2.89 0.52 0.52 !E56N-T55CG2
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CG2) 2.89 1.52 1.52 !E56N-T55CG2
!violates calc4
!assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid    55 and name CG2) 3.80 0.10 0.10 !N8ND2-T55CG2
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid    55 and name CG2) 3.80 1.10 1.10 !N8ND2-T55CG2
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    55 and name CG2) 2.90 0.24 0.24 !T55N-CG2
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    21 and name CG1) 2.93 0.16 0.16 !D22N-V21CG1
!violates calc1
!assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    21 and name CG1) 2.61 0.19 0.19 !V21N-CG1
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    21 and name CG1) 2.61 1.19 1.19 !V21N-CG1
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    21 and name CG2) 3.02 0.29 0.29 !D22N-V21CG2
!violates calc2
!assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    21 and name CG2) 2.81 0.32 0.32 !V21N-CG2
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    21 and name CG2) 2.81 1.32 1.32 !V21N-CG2
!violates calc4
!assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    29 and name CG1) 2.81 0.10 0.10 !F30N-V29CG1
assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    29 and name CG1) 2.81 1.10 1.10 !F30N-V29CG1
!violates calc1
!assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    29 and name CG1) 4.67 0.74 0.74 !K28N-V29CG1
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    29 and name CG1) 4.67 1.74 1.74 !K28N-V29CG1
!violates calc2
!assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    29 and name CG1) 2.96 0.10 0.10 !V29N-CG1
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    29 and name CG1) 2.96 1.10 1.10 !V29N-CG1
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    29 and name CG2) 5.39 2.05 2.05 !E27N-V29CG2
assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    29 and name CG2) 4.29 0.26 0.26 !F30N-V29CG2
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    29 and name CG2) 5.28 1.86 1.86 !K28N-V29CG2
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    29 and name CG2) 2.69 0.10 0.10 !V29N-CG2
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    39 and name CG1) 3.26 2.26 5.48 !D40N-V39CG1
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    39 and name CG1) 4.85 0.38 0.38 !G9N-V39CG1
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    39 and name CG1) 6.09 0.39 0.39 !L12N-V39CG1
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    39 and name CG1) 6.80 0.38 0.38 !T11N-V39CG1
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    39 and name CG1) 2.81 0.10 0.10 !V39N-CG1
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    39 and name CG1) 5.64 0.39 0.39 !N37N-V39CG1
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    54 and name CG1) 6.13 2.85 2.85 !G41N-V54CG1
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    54 and name CG1) 5.76 1.03 1.03 !G9N-V54CG1
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid    54 and name CG1) 5.89 2.02 2.02 !I6N-V54CG1
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid    54 and name CG1) 4.87 0.70 0.70 !L7N-V54CG1
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    54 and name CG1) 6.13 2.44 2.44 !T53N-V54CG1
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    54 and name CG1) 4.15 0.10 0.10 !T55N-V54CG1
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid    54 and name CG1) 3.04 0.12 0.12 !V54N-CG1
!violates calc1
!assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    54 and name CG1) 4.64 0.51 0.51 !W43N-V54CG1
!violates again cacl5
!assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    54 and name CG1) 4.64 1.51 1.51 !W43N-V54CG1
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    54 and name CG1) 5.00 0.85 0.85 !W43NE1-V54CG1
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    54 and name CG1) 6.17 5.17 6.99 !A34N-V54CG1
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    54 and name CG1) 6.13 2.85 2.85 !E56N-V54CG1
assign (segid "GB1B" and resid    32 and name  N)(segid "GB1B" and resid    54 and name CG1) 6.30 5.30 6.72 !Q32N-V54CG1
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    54 and name CG2) 3.05 0.10 0.10 !G41N-V54CG2
!violates calc1
!assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid    54 and name CG2) 3.09 0.10 0.10 !V54N-CG2
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid    54 and name CG2) 3.09 1.10 1.10 !V54N-CG2
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    54 and name CG2) 3.21 0.10 0.10 !W43NE1-V54CG2
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    54 and name CG2) 2.92 1.92 5.23 !T55N-V54CG2
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    54 and name CG2) 4.94 0.10 0.10 !W43N-V54CG2
assign (segid "GB1B" and resid    20 and name  N)(segid "GB1B" and resid    20 and name CA) 1.44 0.10 0.10 !A20N-CA
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    20 and name CA) 4.68 2.37 2.37 !D22N-A20CA
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid    20 and name CA) 5.20 4.20 6.53 !M1N-A20CA
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    20 and name CA) 2.70 0.10 0.10 !V21N-A20CA
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    23 and name CA) 1.44 0.10 0.10 !A23N-CA
assign (segid "GB1B" and resid    24 and name  N)(segid "GB1B" and resid    24 and name CA) 1.53 0.10 0.10 !A24N-CA
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    24 and name CA) 2.80 0.10 0.10 !T25N-A24CA
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    26 and name CA) 1.45 0.10 0.10 !A26N-CA
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    26 and name CA) 2.51 0.16 0.16 !E27N-A26CA
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    26 and name CA) 4.24 1.13 1.13 !T25N-A26CA
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    34 and name CA) 1.46 0.10 0.10 !A34N-CA
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    34 and name CA) 2.50 0.12 0.12 !N35N-A34CA
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    48 and name CA) 1.46 0.10 0.10 !A48N-CA
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    48 and name CA) 4.22 1.45 1.45 !D47N-A48CA
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    48 and name CA) 2.49 0.10 0.10 !T49N-A48CA
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    22 and name CA) 2.50 0.16 0.16 !A23N-D22CA
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    22 and name CA) 1.44 0.10 0.10 !D22N-CA
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    22 and name CA) 3.82 0.89 0.89 !V21N-D22CA
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    36 and name CA) 1.44 0.10 0.10 !D36N-CA
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    36 and name CA) 2.51 0.18 0.18 !N37N-D36CA
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CA) 1.48 0.10 0.10 !D40N-CA
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    40 and name CA) 2.59 0.10 0.10 !G41N-D40CA
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    46 and name CA) 4.20 0.98 0.98 !A48N-D46CA
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    46 and name CA) 1.45 0.10 0.10 !D46N-CA
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    46 and name CA) 2.61 0.10 0.10 !D47N-D46CA
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    47 and name CA) 2.82 0.41 0.41 !A48N-D47CA
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    47 and name CA) 1.41 0.10 0.10 !D47N-CA
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    47 and name CA) 5.95 4.95 5.76 !T49N-D47CA
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    15 and name CA) 1.44 0.10 0.10 !E15N-CA
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CA) 2.70 0.20 0.20 !T16N-E15CA
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    19 and name CA) 1.53 0.10 0.10 !E19N-CA
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    27 and name CA) 1.44 0.10 0.10 !E27N-CA
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    27 and name CA) 2.49 0.10 0.10 !K28N-E27CA
assign (segid "GB1B" and resid    42 and name  N)(segid "GB1B" and resid    42 and name CA) 1.06 0.06 0.10 !E42N-CA
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    56 and name CA) 1.44 0.28 0.28 !E56N-CA
assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    30 and name CA) 1.45 0.10 0.10 !F30N-CA
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    30 and name CA) 2.56 0.10 0.10 !K31N-F30CA
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    52 and name CA) 1.43 0.10 0.10 !F52N-CA
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    52 and name CA) 2.64 0.16 0.16 !T53N-F52CA
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    14 and name CA) 1.43 0.10 0.10 !G14N-CA
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    14 and name CA) 2.62 0.14 0.14 !E15N-G14CA
assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    38 and name CA) 1.43 0.10 0.10 !G38N-CA
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    38 and name CA) 4.36 1.53 1.53 !N37N-G38CA
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    38 and name CA) 2.60 0.10 0.10 !V39N-G38CA
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    41 and name CA) 1.47 0.10 0.10 !G41N-CA
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    41 and name CA) 4.34 1.10 1.10 !D40N-G41CA
assign (segid "GB1B" and resid    42 and name  N)(segid "GB1B" and resid    41 and name CA) 2.63 0.10 0.10 !E42N-G41CA
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid     9 and name CA) 1.44 0.10 0.10 !G9N-CA
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid     9 and name CA) 5.64 4.64 5.18 !K13N-G9CA
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     9 and name CA) 4.91 2.64 2.64 !N8N-G9CA
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid     9 and name CA) 2.58 0.17 0.17 !K10N-G9CA
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid     9 and name CA) 4.65 2.55 2.55 !L12N-G9CA
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CA) 1.45 0.10 0.10 !K10N-CA
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CA) 2.53 0.11 0.11 !T11N-K10CA
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    13 and name CA) 2.58 0.14 0.14 !G14N-K13CA
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CA) 1.44 0.10 0.10 !K13N-CA
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CA) 1.44 0.10 0.10 !K28N-CA
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    28 and name CA) 2.39 0.10 0.10 !V29N-K28CA
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    31 and name CA) 1.45 0.10 0.10 !K31N-CA
assign (segid "GB1B" and resid    32 and name  N)(segid "GB1B" and resid    31 and name CA) 2.53 0.12 0.12 !Q32N-K31CA
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CA) 1.44 0.10 0.10 !K4N-CA
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     4 and name CA) 2.54 0.10 0.10 !L5N-K4CA
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CA) 1.44 0.10 0.10 !K50N-CA
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    50 and name CA) 4.95 1.30 1.30 !T49N-K50CA
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    35 and name CA) 2.60 0.10 0.10 !D36N-N35CA
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    35 and name CA) 1.41 0.10 0.10 !N35N-CA
assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    37 and name CA) 2.59 0.21 0.21 !G38N-N37CA
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    37 and name CA) 4.29 1.20 1.20 !N37ND2-CA
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid     8 and name CA) 2.46 0.17 0.17 !G9N-N8CA
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid     8 and name CA) 4.05 0.90 0.90 !N8ND2-CA
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid     2 and name CA) 2.33 0.10 0.10 !Y3N-Q2CA
assign (segid "GB1B" and resid    32 and name  N)(segid "GB1B" and resid    32 and name CA) 1.47 0.10 0.10 !Q32N-CA
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    11 and name CA) 2.56 0.10 0.10 !L12N-T11CA
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    11 and name CA) 1.43 0.43 0.63 !T11N-CA
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    16 and name CA) 1.38 0.10 0.10 !T16N-CA
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    18 and name CA) 2.58 0.15 0.15 !E19N-T18CA
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid    18 and name CA) 1.44 0.10 0.10 !T18N-CA
assign (segid "GB1B" and resid    24 and name  N)(segid "GB1B" and resid    25 and name CA) 4.68 1.60 1.60 !A24N-T25CA
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    25 and name CA) 2.53 0.15 0.15 !A26N-T25CA
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    25 and name CA) 1.49 0.10 0.10 !T25N-CA
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    44 and name CA) 1.43 0.10 0.10 !T44N-CA
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    44 and name CA) 2.59 0.10 0.10 !Y45N-T44CA
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    49 and name CA) 1.44 0.10 0.10 !T49N-CA
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    51 and name CA) 2.59 0.15 0.15 !F52N-T51CA
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    51 and name CA) 4.63 3.27 3.27 !K50N-T51CA
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    51 and name CA) 1.43 0.10 0.10 !T51N-CA
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    53 and name CA) 1.43 0.10 0.10 !T53N-CA
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid    53 and name CA) 2.82 0.10 0.10 !V54N-T53CA
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CA) 2.61 0.18 0.18 !E56N-T55CA
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    55 and name CA) 1.46 0.10 0.10 !T55N-CA
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    43 and name CA) 1.43 0.10 0.10 !W43N-CA
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    33 and name CA) 2.39 0.15 0.15 !A34N-Y33CA
assign (segid "GB1B" and resid    33 and name  N)(segid "GB1B" and resid    33 and name CA) 1.44 0.10 0.10 !Y33N-CA
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     3 and name CA) 2.57 0.19 0.19 !K4N-Y3CA
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     3 and name CA) 4.13 1.02 1.02 !Q2N-Y3CA
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid     3 and name CA) 5.03 4.03 5.10 !T18N-Y3CA
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid     3 and name CA) 1.44 0.10 0.10 !Y3N-CA
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    45 and name CA) 2.56 0.14 0.14 !D46N-Y45CA
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    45 and name CA) 5.95 4.95 6.15 !D47N-Y45CA
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    45 and name CA) 1.44 0.10 0.10 !Y45N-CA
assign (segid "GB1B" and resid    20 and name  N)(segid "GB1B" and resid    20 and name CB) 2.41 0.20 0.20 !A20N-CB
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    20 and name CB) 4.08 0.45 0.45 !A26N-A20CB
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    20 and name CB) 3.92 0.10 0.10 !D22N-A20CB
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    20 and name CB) 3.25 0.10 0.10 !V21N-A20CB
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    23 and name CB) 2.34 0.10 0.10 !A23N-CB
assign (segid "GB1B" and resid    24 and name  N)(segid "GB1B" and resid    24 and name CB) 2.35 0.10 0.10 !A24N-CB
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    24 and name CB) 3.39 0.10 0.10 !T25N-A24CB
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    26 and name CB) 2.42 0.13 0.13 !A26N-CB
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    26 and name CB) 3.36 0.31 0.31 !E27N-A26CB
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    26 and name CB) 5.28 0.98 0.98 !K28N-A26CB
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    34 and name CB) 2.42 0.10 0.10 !A34N-CB
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    34 and name CB) 3.32 0.10 0.10 !N35N-A34CB
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    48 and name CB) 2.45 0.10 0.10 !A48N-CB
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    48 and name CB) 3.38 0.10 0.10 !T49N-A48CB
assign (segid "GB1B" and resid    23 and name  N)(segid "GB1B" and resid    22 and name CB) 3.21 0.10 0.10 !A23N-D22CB
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    22 and name CB) 2.44 0.13 0.13 !D22N-CB
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    36 and name CB) 2.44 0.10 0.10 !D36N-CB
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    36 and name CB) 3.46 0.10 0.10 !N37N-D36CB
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CB) 2.46 0.18 0.18 !D40N-CB
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    40 and name CB) 3.64 0.46 0.46 !G41N-D40CB
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    46 and name CB) 2.48 0.22 0.22 !D46N-CB
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    46 and name CB) 3.90 0.10 0.10 !D47N-D46CB
!violates calc1
!assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    47 and name CB) 4.32 0.18 0.18 !A48N-D47CB
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    47 and name CB) 4.32 1.18 1.18 !A48N-D47CB
!violates calc4
!assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    47 and name CB) 3.00 0.17 0.17 !D47N-CB
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    47 and name CB) 3.00 1.17 1.17 !D47N-CB
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    15 and name CB) 2.50 0.18 0.18 !E15N-CB
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    27 and name CB) 2.42 0.11 0.11 !E27N-CB
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    27 and name CB) 3.20 0.10 0.10 !K28N-E27CB
assign (segid "GB1B" and resid    42 and name  N)(segid "GB1B" and resid    42 and name CB) 2.51 0.14 0.14 !E42N-CB
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    42 and name CB) 3.41 0.29 0.29 !W43N-E42CB
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    56 and name CB) 2.45 0.10 0.10 !E56N-CB
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CB) 2.50 0.32 0.32 !I6N-CB
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     6 and name CB) 3.50 0.10 0.10 !L7N-I6CB
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     6 and name CB) 5.72 0.10 0.10 !V54N-I6CB
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CB) 2.38 0.10 0.10 !K10N-CB
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CB) 3.37 0.10 0.10 !T11N-K10CB
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    13 and name CB) 3.21 0.31 0.31 !G14N-K13CB
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CB) 2.41 0.36 0.36 !K13N-CB
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CB) 2.41 0.10 0.10 !K28N-CB
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    28 and name CB) 3.15 0.14 0.14 !V29N-K28CB
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    31 and name CB) 2.35 0.10 0.10 !K31N-CB
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CB) 2.42 0.10 0.10 !K4N-CB
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     4 and name CB) 3.34 0.12 0.12 !L5N-K4CB
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CB) 2.43 0.10 0.10 !K50N-CB
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CB) 4.66 0.53 0.53 !K50NZ-CB
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    50 and name CB) 4.15 1.07 1.07 !T51N-K50CB
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    12 and name CB) 2.38 0.10 0.10 !L12N-CB
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     7 and name CB) 4.01 1.04 1.04 !G14N-L7CB
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CB) 2.45 0.34 0.34 !L7N-CB
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     7 and name CB) 3.67 0.20 0.20 !N8N-L7CB
!intermoleduclar
!assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid     1 and name CB) 4.87 1.08 1.08 !K31NZ-M1CB
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid     1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     1 and name CB) 3.34 0.23 0.23 !Q2N-M1CB
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    35 and name CB) 3.15 0.13 0.13 !D36N-N35CB
assign (segid "GB1B" and resid    35 and name  N)(segid "GB1B" and resid    35 and name CB) 2.42 0.10 0.10 !N35N-CB
!violates calc1
!assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CB) 3.74 0.10 0.10 !N35ND2-CB
assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CB) 3.74 1.10 1.10 !N35ND2-CB
!violates calc5
!assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    37 and name CB) 3.88 0.10 0.10 !G38N-N37CB
assign (segid "GB1B" and resid    38 and name  N)(segid "GB1B" and resid    37 and name CB) 3.88 1.10 1.10 !G38N-N37CB
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    37 and name CB) 2.27 0.10 0.10 !N37N-CB
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    37 and name CB) 2.58 0.11 0.11 !N37ND2-CB
assign (segid "GB1B" and resid    32 and name  N)(segid "GB1B" and resid    32 and name CB) 2.24 0.12 0.12 !Q32N-CB
assign (segid "GB1B" and resid    32 and name NE2)(segid "GB1B" and resid    32 and name CB) 3.91 0.37 0.37 !Q32NE2-CB
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    11 and name CB) 3.58 0.10 0.10 !L12N-T11CB
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    11 and name CB) 2.50 0.10 0.10 !T11N-CB
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    16 and name CB) 2.43 0.13 0.13 !T16N-CB
assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    16 and name CB) 3.24 0.10 0.10 !T17N-T16CB
assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    17 and name CB) 2.15 0.56 0.56 !T17N-CB
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    18 and name CB) 3.26 0.10 0.10 !E19N-T18CB
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid    18 and name CB) 2.46 0.10 0.10 !T18N-CB
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    25 and name CB) 3.48 0.43 0.43 !A26N-T25CB
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    25 and name CB) 2.44 0.15 0.15 !T25N-CB
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    44 and name CB) 2.45 0.10 0.10 !T44N-CB
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    44 and name CB) 4.79 0.59 0.59 !T53N-T44CB
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    44 and name CB) 3.31 0.10 0.10 !Y45N-T44CB
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    49 and name CB) 3.84 0.10 0.10 !K50N-T49CB
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    49 and name CB) 2.45 0.10 0.10 !T49N-CB
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    49 and name CB) 4.81 0.56 0.56 !T51N-T49CB
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    51 and name CB) 5.28 3.00 3.00 !D46N-T51CB
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    51 and name CB) 3.63 0.27 0.27 !F52N-T51CB
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    51 and name CB) 5.51 0.79 0.79 !K50N-T51CB
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    51 and name CB) 5.95 1.79 1.79 !T49N-T51CB
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    51 and name CB) 2.47 0.10 0.10 !T51N-CB
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CB) 3.66 0.10 0.10 !E56N-T55CB
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    55 and name CB) 2.48 0.15 0.15 !T55N-CB
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    21 and name CB) 2.43 0.10 0.10 !V21N-CB
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    15 and name CD) 3.71 0.10 0.10 !E15N-CD
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid    15 and name CD) 5.76 0.10 0.10 !I6N-E15CD
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid    15 and name CD) 5.62 0.10 0.10 !L7N-E15CD
!intermoleduclar
!assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    15 and name CD) 4.63 0.10 0.10 !W43N-E15CD
!intermoleduclar
!assign (segid "GB1B" and resid    42 and name  N)(segid "GB1B" and resid    15 and name CD) 4.03 0.10 0.10 !E42N-E15CD
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid    15 and name CD) 3.71 0.10 0.10 !K4NZ-E15CD
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CD) 4.24 3.24 6.87 !T16N-E15CD
!violates calc1
!assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    19 and name CD) 3.60 0.10 0.10 !E19N-CD
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    19 and name CD) 3.60 1.10 1.10 !E19N-CD
!intermoleduclar
!assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    19 and name CD) 6.40 5.40 7.08 !K13NZ-E19CD
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid    19 and name CD) 4.14 0.24 0.24 !M1N-E19CD
assign (segid "GB1B" and resid     2 and name NE2)(segid "GB1B" and resid    19 and name CD) 5.53 0.25 0.25 !Q2NE2-E19CD
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid    19 and name CD) 6.86 0.35 0.35 !T18N-E19CD
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid    19 and name CD) 7.08 0.35 0.35 !Y3N-E19CD
assign (segid "GB1B" and resid    26 and name  N)(segid "GB1B" and resid    27 and name CD) 6.21 0.10 0.10 !A26N-E27CD
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    27 and name CD) 4.94 0.10 0.10 !E27N-CD
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    27 and name CD) 4.25 0.10 0.10 !K28N-E27CD
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    27 and name CD) 4.00 0.10 0.10 !K31NZ-E27CD
!intermoleduclar
!assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid    27 and name CD) 3.45 2.45 6.61 !M1N-E27CD
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    56 and name CD) 3.42 0.20 0.20 !D40N-E56CD
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    56 and name CD) 4.89 1.06 1.06 !G9N-E56CD
assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    56 and name CD) 5.69 4.69 6.56 !K10NZ-E56CD
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    56 and name CD) 5.45 0.99 0.99 !T11N-E56CD
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    56 and name CD) 4.83 0.74 0.74 !V39N-E56CD
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    56 and name CD) 4.50 0.30 0.30 !G41N-E56CD
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    56 and name CD) 3.60 0.13 0.13 !K10N-E56CD
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    56 and name CD) 7.18 6.18 6.68 !K13NZ-E56CD
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    56 and name CD) 6.50 2.64 2.64 !T55N-E56CD
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.91 1.03 1.03 !E15N-I6CD1
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CD1) 3.62 0.33 0.33 !I6N-CD1
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     6 and name CD1) 4.55 3.55 6.27 !L7N-I6CD1
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.35 3.54 3.54 !T53N-I6CD1
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.65 0.64 0.64 !F52N-I6CD1
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     6 and name CD1) 6.89 1.83 1.83 !K4N-I6CD1
assign (segid "GB1B" and resid     8 and name  N)(segid "GB1B" and resid     6 and name CD1) 7.30 3.14 3.14 !N8N-I6CD1
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     6 and name CD1) 6.82 1.69 1.69 !V54N-I6CD1
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid     6 and name CD1) 7.30 1.98 1.98 !G14N-I6CD1
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid     6 and name CD1) 5.05 0.44 0.44 !K4NZ-I6CD1
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     6 and name CD1) 5.91 1.03 1.03 !T16N-I6CD1
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CD) 4.31 0.10 0.10 !K10N-CD
!violates calc2
!assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CD) 3.52 0.27 0.27 !K10NZ-CD
assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CD) 3.52 1.27 1.27 !K10NZ-CD
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CD) 6.28 1.69 1.69 !T11N-K10CD
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CD) 3.87 0.40 0.40 !K13N-CD
!violates calc4
!assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CD) 2.91 0.10 0.10 !K13NZ-CD
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CD) 2.91 1.10 1.10 !K13NZ-CD
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    28 and name CD) 5.96 1.11 1.11 !E27N-K28CD
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CD) 4.58 0.10 0.10 !K28N-CD
!violates calc1
!assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    28 and name CD) 3.29 0.10 0.10 !K28NZ-CD
assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    28 and name CD) 3.29 1.10 1.10 !K28NZ-CD
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    31 and name CD) 2.32 0.10 0.10 !K31NZ-CD
!violates calc1
!assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid     4 and name CD) 3.25 0.10 0.10 !K4NZ-CD
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid     4 and name CD) 3.25 1.10 1.10 !K4NZ-CD
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     4 and name CD) 5.25 4.25 6.61 !L5N-K4CD
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CD) 3.40 0.10 0.10 !K50N-CD
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CD) 2.63 0.10 0.10 !K50NZ-CD
!violates calc4
!assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    12 and name CD2) 3.43 0.10 0.10 !K13N-L12CD2
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    12 and name CD2) 3.43 1.10 1.10 !K13N-L12CD2
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    12 and name CD2) 4.50 0.17 0.17 !L12N-CD2
!intermoleduclar
!assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    12 and name CD2) 4.41 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     5 and name CD2) 3.19 2.19 4.74 !I6N-L5CD2
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     5 and name CD2) 3.70 0.10 0.10 !T53N-L5CD2
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid     5 and name CD2) 3.67 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     7 and name CD1) 5.02 0.10 0.10 !E15N-L7CD1
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid     7 and name CD1) 5.02 1.10 1.10 !E15N-L7CD1
!violates calc4
!assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CD1) 3.48 0.10 0.10 !L7N-CD1
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CD1) 3.48 1.10 1.10 !L7N-CD1
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid     7 and name CD1) 4.31 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CD2) 3.53 0.12 0.12 !L7N-CD2
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     7 and name CD2) 3.53 1.12 1.12 !L7N-CD2
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     2 and name CD) 5.18 0.82 0.82 !Q2N-CD
!violates calc4
!assign (segid "GB1B" and resid     2 and name NE2)(segid "GB1B" and resid     2 and name CD) 1.75 0.10 0.10 !Q2NE2-CD
assign (segid "GB1B" and resid     2 and name NE2)(segid "GB1B" and resid     2 and name CD) 1.75 0.75 1.10 !Q2NE2-CD
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid     2 and name CD) 6.62 5.62 7.17 !T18N-Q2CD
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    43 and name CD1) 3.70 0.39 0.39 !W43N-CD1
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    43 and name CD1) 1.46 0.10 0.10 !W43NE1-CD1
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    43 and name CD2) 5.28 1.38 1.38 !K31NZ-W43CD2
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    43 and name CD2) 5.02 3.05 3.05 !W43N-CD2
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    43 and name CD2) 2.26 0.10 0.10 !W43NE1-CD2
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    10 and name CE) 5.48 1.21 1.21 !D40N-K10CE
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CE) 4.66 0.43 0.43 !K10N-CE
assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CE) 1.58 0.10 0.10 !K10NZ-CE
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    13 and name CE) 3.65 0.38 0.38 !G9N-K13CE
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    13 and name CE) 4.19 0.67 0.67 !K10N-K13CE
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CE) 1.57 0.10 0.10 !K13NZ-CE
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    13 and name CE) 4.36 0.67 0.67 !T11N-K13CE
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    28 and name CE) 6.61 5.61 5.86 !E27N-K28CE
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CE) 5.95 2.09 2.09 !K28N-CE
assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    28 and name CE) 1.87 0.10 0.10 !K28NZ-CE
!violates cacl4
!assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    31 and name CE) 1.90 0.10 0.10 !K31NZ-CE
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    31 and name CE) 1.90 0.90 1.10 !K31NZ-CE
!violates calc1
!assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CE) 2.20 0.10 0.10 !K50NZ-CE
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid    50 and name CE) 2.20 1.10 1.10 !K50NZ-CE
!intermoleduclar
!assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid     1 and name CE) 3.34 0.10 0.10 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid     1 and name CE) 4.32 0.10 0.10 !K31N-M1CE
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     1 and name CE) 4.06 3.06 6.00 !Q2N-M1CE
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    43 and name CZ2) 4.49 0.25 0.25 !K31N-W43CZ2
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    43 and name CZ2) 2.52 0.17 0.17 !W43NE1-CZ2
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    43 and name CZ3) 4.53 0.10 0.10 !K31N-W43CZ3
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    43 and name CZ3) 6.04 0.10 0.10 !T44N-W43CZ3
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid    43 and name CZ3) 4.55 0.10 0.10 !V54N-W43CZ3
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    43 and name CZ3) 4.10 0.10 0.10 !W43NE1-CZ3
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    43 and name CZ3) 6.38 0.10 0.10 !K31NZ-W43CZ3
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    43 and name CZ3) 4.90 3.90 6.38 !T53N-W43CZ3
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    43 and name CZ3) 6.02 0.10 0.10 !W43N-CZ3
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    36 and name CG) 2.56 0.10 0.10 !D36N-CG
!violates calc4
!assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CG) 4.51 0.32 0.32 !D40N-CG
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    40 and name CG) 4.51 1.32 1.32 !D40N-CG
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    40 and name CG) 4.23 0.15 0.15 !G41N-D40CG
assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    40 and name CG) 5.99 4.99 4.99 !K10NZ-D40CG
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    40 and name CG) 6.60 0.16 0.16 !V39N-D40CG
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    46 and name CG) 3.42 0.10 0.10 !A48N-D46CG
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    46 and name CG) 3.53 0.19 0.19 !D46N-CG
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    46 and name CG) 3.24 0.10 0.10 !D47N-D46CG
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    46 and name CG) 3.67 0.10 0.10 !T49N-D46CG
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    47 and name CG) 3.76 0.51 0.51 !D47N-CG
!intermoleduclar
!assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    47 and name CG) 6.65 5.64 5.64 !L12N-D47CG
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    15 and name CG) 2.49 1.49 6.12 !E15N-CG
!violates calc1
!assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CG) 3.47 0.10 0.10 !T16N-E15CG
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    15 and name CG) 3.47 1.10 1.10 !T16N-E15CG
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    56 and name CG) 2.48 0.25 0.25 !E56N-CG
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    56 and name CG) 5.41 1.40 1.40 !G41N-E56CG
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    56 and name CG) 5.07 1.34 1.34 !G9N-E56CG
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    56 and name CG) 3.86 0.16 0.16 !K10N-E56CG
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    56 and name CG) 6.02 4.84 4.84 !T55N-E56CG
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    30 and name CG) 5.86 1.46 1.46 !A34N-F30CG
assign (segid "GB1B" and resid    27 and name  N)(segid "GB1B" and resid    30 and name CG) 4.82 0.34 0.34 !E27N-F30CG
assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    30 and name CG) 2.99 0.10 0.10 !F30N-CG
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    30 and name CG) 4.42 0.10 0.10 !K31N-F30CG
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid    30 and name CG) 5.68 0.62 0.62 !L5N-F30CG
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    52 and name CG) 2.71 0.14 0.14 !F52N-CG
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    52 and name CG) 5.25 1.11 1.11 !D46N-F52CG
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid    52 and name CG) 6.05 1.49 1.49 !K4N-F52CG
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    52 and name CG) 5.72 1.15 1.15 !Y45N-F52CG
!violates calc1
!assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     6 and name CG1) 3.04 0.10 0.10 !T53N-I6CG1
!violates calc2 removed
!assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid     6 and name CG1) 3.04 1.10 1.10 !T53N-I6CG1
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid     6 and name CG2) 3.97 0.30 0.30 !I6N-CG2
assign (segid "GB1B" and resid     7 and name  N)(segid "GB1B" and resid     6 and name CG2) 3.54 0.10 0.10 !L7N-I6CG2
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    10 and name CG) 6.40 0.12 0.12 !E56N-K10CG
!violates calc4
!assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CG) 3.45 0.10 0.10 !K10N-CG
assign (segid "GB1B" and resid    10 and name  N)(segid "GB1B" and resid    10 and name CG) 3.45 1.10 1.10 !K10N-CG
!violates calc1
!assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CG) 5.95 0.12 0.12 !K10NZ-CG
!violates calc2 removed
!assign (segid "GB1B" and resid    10 and name NZ)(segid "GB1B" and resid    10 and name CG) 5.95 1.12 1.12 !K10NZ-CG
!violates calc4
!assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    10 and name CG) 5.88 0.12 0.12 !L12N-K10CG
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    10 and name CG) 5.88 1.12 1.12 !L12N-K10CG
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    10 and name CG) 4.72 3.72 4.74 !T11N-K10CG
assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    13 and name CG) 4.60 0.10 0.10 !G14N-K13CG
assign (segid "GB1B" and resid    13 and name  N)(segid "GB1B" and resid    13 and name CG) 3.22 0.10 0.10 !K13N-CG
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    13 and name CG) 4.92 2.73 2.73 !G9N-K13CG
!violates calc4
!assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CG) 3.61 0.10 0.10 !K13NZ-CG
assign (segid "GB1B" and resid    13 and name NZ)(segid "GB1B" and resid    13 and name CG) 3.61 1.10 1.10 !K13NZ-CG
assign (segid "GB1B" and resid    28 and name  N)(segid "GB1B" and resid    28 and name CG) 3.14 0.28 0.28 !K28N-CG
assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    28 and name CG) 4.19 0.28 0.28 !K28NZ-CG
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    28 and name CG) 4.41 0.30 0.30 !V29N-K28CG
assign (segid "GB1B" and resid    31 and name  N)(segid "GB1B" and resid    31 and name CG) 2.92 1.92 7.39 !K31N-CG
assign (segid "GB1B" and resid    31 and name NZ)(segid "GB1B" and resid    31 and name CG) 3.76 0.10 0.10 !K31NZ-CG
assign (segid "GB1B" and resid    43 and name NE1)(segid "GB1B" and resid    31 and name CG) 4.40 0.10 0.10 !W43NE1-K31CG
!violates calc1
!assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CG) 3.10 0.10 0.10 !K4N-CG
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     4 and name CG) 3.10 1.10 1.10 !K4N-CG
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    50 and name CG) 2.91 0.58 0.58 !K50N-CG
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    50 and name CG) 4.88 0.90 0.90 !T49N-K50CG
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    50 and name CG) 4.96 0.35 0.35 !T51N-K50CG
!violates calc1
!assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     5 and name CG) 3.05 0.10 0.10 !L5N-CG
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid     5 and name CG) 3.05 1.10 1.10 !L5N-CG
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid     1 and name CG) 3.74 0.20 0.20 !M1N-CG
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     1 and name CG) 2.86 0.10 0.10 !Q2N-M1CG
!violates calc4
!assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CG) 1.88 0.10 0.10 !N35ND2-CG
assign (segid "GB1B" and resid    35 and name ND2)(segid "GB1B" and resid    35 and name CG) 1.88 0.88 1.10 !N35ND2-CG
assign (segid "GB1B" and resid    36 and name  N)(segid "GB1B" and resid    37 and name CG) 5.05 2.33 2.33 !D36N-N37CG
!violates calc4
!assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    37 and name CG) 2.40 0.21 0.21 !N37N-CG
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    37 and name CG) 2.40 1.21 1.21 !N37N-CG
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    37 and name CG) 1.51 0.10 0.10 !N37ND2-CG
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    37 and name CG) 6.32 4.88 4.88 !V39N-N37CG
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid     8 and name CG) 1.43 0.10 0.10 !N8ND2-CG
!intermoleduclar
!assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    11 and name CG2) 4.65 0.41 0.41 !A48N-T11CG2
!intermoleduclar
!assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    11 and name CG2) 5.30 4.30 6.41 !D47N-T11CG2
assign (segid "GB1B" and resid    12 and name  N)(segid "GB1B" and resid    11 and name CG2) 4.94 0.21 0.21 !L12N-T11CG2
assign (segid "GB1B" and resid    11 and name  N)(segid "GB1B" and resid    11 and name CG2) 3.29 0.28 0.28 !T11N-CG2
assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    16 and name CG2) 6.35 0.96 0.96 !E15N-T16CG2
!violates calc4
!assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid    16 and name CG2) 5.18 0.26 0.26 !L5N-T16CG2
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid    16 and name CG2) 5.18 1.26 1.26 !L5N-T16CG2
assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    16 and name CG2) 3.53 0.23 0.23 !T16N-CG2
assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    16 and name CG2) 3.90 0.10 0.10 !T17N-T16CG2
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    17 and name CG2) 5.45 0.10 0.10 !E19N-T17CG2
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid    17 and name CG2) 6.12 0.10 0.10 !K4NZ-T17CG2
assign (segid "GB1B" and resid     2 and name NE2)(segid "GB1B" and resid    17 and name CG2) 4.96 0.10 0.10 !Q2NE2-T17CG2
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid    17 and name CG2) 4.90 3.90 6.33 !K4N-T17CG2
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid    17 and name CG2) 5.46 0.10 0.10 !L5N-T17CG2
!violates calc4
!assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    17 and name CG2) 3.17 0.10 0.10 !T17N-CG2
assign (segid "GB1B" and resid    17 and name  N)(segid "GB1B" and resid    17 and name CG2) 3.17 1.10 1.10 !T17N-CG2
assign (segid "GB1B" and resid    19 and name  N)(segid "GB1B" and resid    18 and name CG2) 3.63 0.10 0.10 !E19N-T18CG2
assign (segid "GB1B" and resid     5 and name  N)(segid "GB1B" and resid    18 and name CG2) 6.15 1.88 1.88 !L5N-T18CG2
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid    18 and name CG2) 3.30 0.10 0.10 !T18N-CG2
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid    18 and name CG2) 4.77 0.35 0.35 !Y3N-T18CG2
assign (segid "GB1B" and resid    22 and name  N)(segid "GB1B" and resid    25 and name CG2) 4.41 3.41 5.78 !D22N-T25CG2
assign (segid "GB1B" and resid    28 and name NZ)(segid "GB1B" and resid    25 and name CG2) 6.07 0.10 0.10 !K28NZ-T25CG2
assign (segid "GB1B" and resid    25 and name  N)(segid "GB1B" and resid    25 and name CG2) 3.51 0.10 0.10 !T25N-CG2
assign (segid "GB1B" and resid    21 and name  N)(segid "GB1B" and resid    25 and name CG2) 4.38 0.10 0.10 !V21N-T25CG2
!intermoleduclar
!assign (segid "GB1B" and resid    15 and name  N)(segid "GB1B" and resid    44 and name CG2) 4.22 0.24 0.24 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1B" and resid    14 and name  N)(segid "GB1B" and resid    44 and name CG2) 5.23 0.98 0.98 !G14N-T44CG2
!intermoleduclar
!assign (segid "GB1B" and resid    16 and name  N)(segid "GB1B" and resid    44 and name CG2) 5.26 1.14 1.14 !T16N-T44CG2
assign (segid "GB1B" and resid    44 and name  N)(segid "GB1B" and resid    44 and name CG2) 3.01 0.96 0.96 !T44N-CG2
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    44 and name CG2) 3.66 0.10 0.10 !T53N-T44CG2
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    44 and name CG2) 5.42 4.42 6.68 !W43N-T44CG2
assign (segid "GB1B" and resid    48 and name  N)(segid "GB1B" and resid    49 and name CG2) 5.29 0.38 0.38 !A48N-T49CG2
assign (segid "GB1B" and resid    50 and name  N)(segid "GB1B" and resid    49 and name CG2) 5.55 0.64 0.64 !K50N-T49CG2
assign (segid "GB1B" and resid    49 and name  N)(segid "GB1B" and resid    49 and name CG2) 3.38 0.10 0.10 !T49N-CG2
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    49 and name CG2) 7.41 6.41 6.75 !T51N-T49CG2
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    51 and name CG2) 3.37 0.10 0.10 !F52N-T51CG2
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid    51 and name CG2) 5.58 0.51 0.51 !K4N-T51CG2
assign (segid "GB1B" and resid     4 and name NZ)(segid "GB1B" and resid    51 and name CG2) 6.40 1.66 1.66 !K4NZ-T51CG2
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    51 and name CG2) 4.02 0.12 0.12 !T51N-CG2
!violates calc1
!assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid    53 and name CG2) 3.39 0.10 0.10 !I6N-T53CG2
assign (segid "GB1B" and resid     6 and name  N)(segid "GB1B" and resid    53 and name CG2) 3.39 1.10 1.10 !I6N-T53CG2
assign (segid "GB1B" and resid    53 and name  N)(segid "GB1B" and resid    53 and name CG2) 3.12 0.12 0.12 !T53N-CG2
!violates calc6
!assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CG2) 3.47 0.10 0.10 !E56N-T55CG2
assign (segid "GB1B" and resid    56 and name  N)(segid "GB1B" and resid    55 and name CG2) 3.47 1.10 1.10 !E56N-T55CG2
assign (segid "GB1B" and resid     8 and name ND2)(segid "GB1B" and resid    55 and name CG2) 4.39 3.39 7.09 !N8ND2-T55CG2
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    55 and name CG2) 3.46 0.10 0.10 !T55N-CG2
assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    55 and name CG2) 5.72 0.10 0.10 !W43N-T55CG2
assign (segid "GB1B" and resid    30 and name  N)(segid "GB1B" and resid    29 and name CG1) 3.57 0.24 0.24 !F30N-V29CG1
assign (segid "GB1B" and resid    29 and name  N)(segid "GB1B" and resid    29 and name CG2) 2.75 0.50 0.50 !V29N-CG2
!violates calc4
!assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    39 and name CG1) 3.81 0.10 0.10 !D40N-V39CG1
assign (segid "GB1B" and resid    40 and name  N)(segid "GB1B" and resid    39 and name CG1) 3.81 1.10 1.10 !D40N-V39CG1
assign (segid "GB1B" and resid     9 and name  N)(segid "GB1B" and resid    39 and name CG1) 5.67 0.10 0.10 !G9N-V39CG1
assign (segid "GB1B" and resid    39 and name  N)(segid "GB1B" and resid    39 and name CG1) 3.11 0.34 0.34 !V39N-CG1
assign (segid "GB1B" and resid    55 and name  N)(segid "GB1B" and resid    54 and name CG1) 4.20 0.10 0.10 !T55N-V54CG1
assign (segid "GB1B" and resid    54 and name  N)(segid "GB1B" and resid    54 and name CG1) 3.18 2.18 6.39 !V54N-CG1
!violates calc1
!assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    54 and name CG1) 4.90 0.10 0.10 !W43N-V54CG1
!violates again calc4 removed
!assign (segid "GB1B" and resid    43 and name  N)(segid "GB1B" and resid    54 and name CG1) 4.90 1.10 1.10 !W43N-V54CG1
assign (segid "GB1B" and resid    41 and name  N)(segid "GB1B" and resid    54 and name CG2) 2.93 0.10 0.10 !G41N-V54CG2
assign (segid "GB1B" and resid    34 and name  N)(segid "GB1B" and resid    33 and name CG) 3.35 0.10 0.10 !A34N-Y33CG
assign (segid "GB1B" and resid    37 and name  N)(segid "GB1B" and resid    33 and name CG) 5.27 0.11 0.11 !N37N-Y33CG
!violates calc6
!assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    33 and name CG) 3.86 0.10 0.10 !N37ND2-Y33CG
assign (segid "GB1B" and resid    37 and name ND2)(segid "GB1B" and resid    33 and name CG) 3.86 1.10 1.10 !N37ND2-Y33CG
assign (segid "GB1B" and resid    33 and name  N)(segid "GB1B" and resid    33 and name CG) 3.47 0.10 0.10 !Y33N-CG
assign (segid "GB1B" and resid     4 and name  N)(segid "GB1B" and resid     3 and name CG) 4.15 0.27 0.27 !K4N-Y3CG
assign (segid "GB1B" and resid     1 and name  N)(segid "GB1B" and resid     3 and name CG) 6.34 3.28 3.28 !M1N-Y3CG
assign (segid "GB1B" and resid    18 and name  N)(segid "GB1B" and resid     3 and name CG) 5.56 1.21 1.21 !T18N-Y3CG
assign (segid "GB1B" and resid     3 and name  N)(segid "GB1B" and resid     3 and name CG) 3.07 0.34 0.34 !Y3N-CG
assign (segid "GB1B" and resid    50 and name NZ)(segid "GB1B" and resid     3 and name CG) 6.69 5.69 6.95 !K50NZ-Y3CG
assign (segid "GB1B" and resid     2 and name  N)(segid "GB1B" and resid     3 and name CG) 4.65 0.48 0.48 !Q2N-Y3CG
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid     3 and name CG) 6.08 2.37 2.37 !T51N-Y3CG
assign (segid "GB1B" and resid    46 and name  N)(segid "GB1B" and resid    45 and name CG) 3.27 0.10 0.10 !D46N-Y45CG
assign (segid "GB1B" and resid    47 and name  N)(segid "GB1B" and resid    45 and name CG) 4.19 0.10 0.10 !D47N-Y45CG
assign (segid "GB1B" and resid    52 and name  N)(segid "GB1B" and resid    45 and name CG) 4.93 0.52 0.52 !F52N-Y45CG
assign (segid "GB1B" and resid    51 and name  N)(segid "GB1B" and resid    45 and name CG) 5.08 0.55 0.55 !T51N-Y45CG
assign (segid "GB1B" and resid    45 and name  N)(segid "GB1B" and resid    45 and name CG) 3.67 0.29 0.29 !Y45N-CG

! Intramolecular Restraints

assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  20 and name CA) 2.10 0.13 0.13 !V21N-A20CA
assign (segid "GB1C" and resid  24 and name  N)(segid "GB1C" and resid  24 and name CA) 1.51 0.10 0.10 !A24N-CA
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  24 and name CA) 2.90 0.20 0.20 !T25N-A24CA
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  34 and name CA) 1.51 0.10 0.10 !A34N-CA
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  34 and name CA) 2.81 0.10 0.10 !N35N-A34CA
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  48 and name CA) 1.50 0.10 0.10 !A48N-CA
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  48 and name CA) 2.81 0.18 0.18 !T49N-A48CA
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  22 and name CA) 2.60 0.18 0.18 !A23N-D22CA
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  22 and name CA) 1.46 0.10 0.10 !D22N-CA
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  36 and name CA) 1.45 0.10 0.10 !D36N-CA
!violates cacl4 
!assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  36 and name CA) 2.94 0.18 0.18 !N37N-D36CA
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  36 and name CA) 2.94 1.18 1.18 !N37N-D36CA
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CA) 1.50 0.10 0.10 !D40N-CA
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  40 and name CA) 2.62 0.10 0.10 !G41N-D40CA
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  46 and name CA) 1.44 0.10 0.10 !D46N-CA
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  46 and name CA) 2.76 0.19 0.19 !D47N-D46CA
!violates cacl4
!assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  47 and name CA) 3.48 0.65 0.65 !A48N-D47CA
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  47 and name CA) 3.48 1.65 1.65 !A48N-D47CA
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  47 and name CA) 1.51 0.10 0.10 !D47N-CA
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  15 and name CA) 1.46 0.10 0.10 !E15N-CA
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CA) 2.62 0.15 0.15 !T16N-E15CA
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  19 and name CA) 1.47 0.10 0.10 !E19N-CA
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  27 and name CA) 1.48 0.10 0.10 !E27N-CA
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  27 and name CA) 2.53 0.13 0.13 !K28N-E27CA
assign (segid "GB1C" and resid  42 and name  N)(segid "GB1C" and resid  42 and name CA) 1.42 0.10 0.10 !E42N-CA
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  42 and name CA) 2.61 0.20 0.20 !W43N-E42CA
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  56 and name CA) 1.44 0.10 0.10 !E56N-CA
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  14 and name CA) 2.81 0.22 0.22 !E15N-G14CA
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  14 and name CA) 1.44 0.10 0.10 !G14N-CA
assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  38 and name CA) 1.49 0.10 0.10 !G38N-CA
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  38 and name CA) 2.53 0.12 0.12 !V39N-G38CA
assign (segid "GB1C" and resid  42 and name  N)(segid "GB1C" and resid  41 and name CA) 2.68 0.14 0.14 !E42N-G41CA
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  41 and name CA) 1.46 0.10 0.10 !G41N-CA
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid   9 and name CA) 1.42 0.10 0.10 !G9N-CA
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid   9 and name CA) 2.48 0.10 0.10 !K10N-G9CA
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CA) 1.44 0.10 0.10 !I6N-CA
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   6 and name CA) 2.21 0.10 0.10 !L7N-I6CA
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CA) 2.47 0.10 0.10 !T11N-K10CA
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  13 and name CA) 2.51 0.10 0.10 !G14N-K13CA
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CA) 1.46 0.10 0.10 !K13N-CA
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CA) 1.47 0.10 0.10 !K28N-CA
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  28 and name CA) 2.29 0.10 0.10 !V29N-K28CA
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  31 and name CA) 1.47 0.10 0.10 !K31N-CA
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CA) 1.43 0.10 0.10 !K4N-CA
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CA) 1.42 0.10 0.10 !K50N-CA
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  12 and name CA) 1.43 0.10 0.10 !L12N-CA
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  12 and name CA) 5.07 1.94 1.94 !T11N-L12CA
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   5 and name CA) 1.42 0.10 0.10 !L5N-CA
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   7 and name CA) 5.10 4.10 6.34 !G14N-L7CA
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid   7 and name CA) 5.32 4.32 6.66 !G9N-L7CA
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CA) 1.45 0.12 0.12 !L7N-CA
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   7 and name CA) 2.56 0.10 0.10 !N8N-L7CA
!violates calc4
!assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   7 and name CA) 3.85 0.86 0.86 !V54N-L7CA
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   7 and name CA) 3.85 1.86 1.86 !V54N-L7CA
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid   1 and name CA) 1.48 0.10 0.10 !M1N-CA
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  35 and name CA) 3.57 0.58 0.58 !A34N-N35CA
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  35 and name CA) 2.59 0.15 0.15 !D36N-N35CA
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  35 and name CA) 1.47 0.10 0.10 !N35N-CA
assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  37 and name CA) 2.74 0.18 0.18 !G38N-N37CA
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid   8 and name CA) 2.55 0.13 0.13 !G9N-N8CA
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   2 and name CA) 1.44 0.10 0.10 !Q2N-CA
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid   2 and name CA) 2.55 0.11 0.11 !Y3N-Q2CA
assign (segid "GB1C" and resid  32 and name  N)(segid "GB1C" and resid  32 and name CA) 1.42 0.10 0.10 !Q32N-CA
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  11 and name CA) 2.58 0.13 0.13 !L12N-T11CA
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  11 and name CA) 1.45 0.10 0.10 !T11N-CA
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  18 and name CA) 2.64 0.15 0.15 !E19N-T18CA
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid  18 and name CA) 1.43 0.10 0.10 !T18N-CA
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  25 and name CA) 2.73 0.21 0.21 !A26N-T25CA
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  25 and name CA) 1.44 0.10 0.10 !T25N-CA
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  44 and name CA) 1.45 0.10 0.10 !T44N-CA
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  44 and name CA) 2.58 1.58 5.09 !Y45N-T44CA
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  51 and name CA) 2.71 0.16 0.16 !F52N-T51CA
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  51 and name CA) 1.45 0.10 0.10 !T51N-CA
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  53 and name CA) 1.49 0.10 0.10 !T53N-CA
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CA) 2.66 0.16 0.16 !E56N-T55CA
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  55 and name CA) 1.43 0.10 0.10 !T55N-CA
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  29 and name CA) 1.49 0.10 0.10 !V29N-CA
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  39 and name CA) 2.35 0.11 0.11 !D40N-V39CA
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  39 and name CA) 1.43 0.10 0.10 !V39N-CA
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  54 and name CA) 2.66 0.15 0.15 !T55N-V54CA
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid  54 and name CA) 1.45 0.10 0.10 !V54N-CA
assign (segid "GB1C" and resid  20 and name  N)(segid "GB1C" and resid  20 and name CB) 2.46 0.10 0.10 !A20N-CB
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  20 and name CB) 4.43 0.10 0.10 !A26N-A20CB
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid  20 and name CB) 6.16 3.33 3.33 !M1N-A20CB
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  20 and name CB) 3.27 0.10 0.10 !V21N-A20CB
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  23 and name CB) 2.49 0.15 0.15 !A23N-CB
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  23 and name CB) 6.58 2.81 2.81 !K50NZ-A23CB
assign (segid "GB1C" and resid  24 and name  N)(segid "GB1C" and resid  24 and name CB) 2.75 0.23 0.23 !A24N-CB
assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  24 and name CB) 6.94 5.94 7.30 !K28NZ-A24CB
!violates calc4
!assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  24 and name CB) 3.82 0.10 0.10 !T25N-A24CB
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  24 and name CB) 3.82 1.10 1.10 !T25N-A24CB
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  26 and name CB) 6.01 2.10 2.10 !A23N-A26CB
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  26 and name CB) 2.46 0.10 0.10 !A26N-CB
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  26 and name CB) 3.34 0.10 0.10 !E27N-A26CB
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  26 and name CB) 5.74 4.74 6.86 !K28N-A26CB
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  34 and name CB) 2.44 0.10 0.10 !A34N-CB
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  34 and name CB) 5.30 1.79 1.79 !G41N-A34CB
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  34 and name CB) 3.29 0.10 0.10 !N35N-A34CB
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  34 and name CB) 4.46 0.86 0.86 !V39N-A34CB
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  34 and name CB) 5.90 3.20 3.20 !W43NE1-A34CB
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  48 and name CB) 2.50 0.10 0.10 !A48N-CB
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  48 and name CB) 5.36 1.05 1.05 !D47N-A48CB
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  48 and name CB) 6.83 0.86 0.86 !K50NZ-A48CB
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  48 and name CB) 3.39 0.20 0.20 !T49N-A48CB
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  22 and name CB) 2.93 0.10 0.10 !A23N-D22CB
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  22 and name CB) 2.52 0.10 0.10 !D22N-CB
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  36 and name CB) 2.41 0.10 0.10 !D36N-CB
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  36 and name CB) 3.38 0.30 0.30 !N37N-D36CB
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  36 and name CB) 5.05 1.82 1.82 !N37ND2-D36CB
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CB) 2.51 0.10 0.10 !D40N-CB
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  40 and name CB) 3.60 0.17 0.17 !G41N-D40CB
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  46 and name CB) 2.46 0.10 0.10 !D46N-CB
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  47 and name CB) 3.70 0.50 0.50 !A48N-D47CB
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  47 and name CB) 2.46 0.38 0.38 !D47N-CB
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  15 and name CB) 2.95 0.59 0.59 !E15N-CB
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CB) 2.81 0.29 0.29 !T16N-E15CB
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  27 and name CB) 2.42 0.15 0.15 !E27N-CB
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  27 and name CB) 2.99 0.26 0.26 !K28N-E27CB
!violates calc4
!assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  56 and name CB) 2.96 0.10 0.10 !E56N-CB
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  56 and name CB) 2.96 1.10 1.10 !E56N-CB
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  56 and name CB) 4.24 0.20 0.20 !G41N-E56CB
!violates calc4
!assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  56 and name CB) 4.72 0.75 0.75 !G9N-E56CB
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  56 and name CB) 4.72 1.75 1.75 !G9N-E56CB
assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  30 and name CB) 2.47 0.10 0.10 !F30N-CB
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  30 and name CB) 3.06 0.10 0.10 !K31N-F30CB
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  52 and name CB) 2.32 0.10 0.10 !F52N-CB
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CB) 2.61 0.10 0.10 !I6N-CB
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  10 and name CB) 6.40 5.40 7.12 !G9N-K10CB
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CB) 2.44 0.10 0.10 !K10N-CB
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CB) 3.31 0.10 0.10 !T11N-K10CB
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  13 and name CB) 3.37 0.10 0.10 !G14N-K13CB
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CB) 2.45 0.20 0.20 !K13N-CB
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CB) 2.43 0.10 0.10 !K28N-CB
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  28 and name CB) 3.17 0.12 0.12 !V29N-K28CB
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  31 and name CB) 2.62 0.10 0.10 !K31N-CB
assign (segid "GB1C" and resid  32 and name  N)(segid "GB1C" and resid  31 and name CB) 3.12 0.10 0.10 !Q32N-K31CB
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CB) 2.43 0.21 0.21 !K4N-CB
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   4 and name CB) 3.50 0.44 0.44 !L5N-K4CB
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CB) 2.51 0.23 0.23 !K50N-CB
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CB) 4.50 0.80 0.80 !K50NZ-CB
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  50 and name CB) 5.28 1.57 1.57 !T49N-K50CB
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  50 and name CB) 4.24 0.68 0.68 !T51N-K50CB
!intermolecular
!assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid   1 and name CB) 4.94 3.94 6.46 !K31NZ-M1CB
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   1 and name CB) 3.32 0.10 0.10 !Q2N-M1CB
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  35 and name CB) 3.02 0.10 0.10 !D36N-N35CB
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  35 and name CB) 2.47 0.16 0.16 !N35N-CB
!violates calc1
!assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CB) 3.54 0.27 0.27 !N35ND2-CB
assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CB) 3.54 1.27 1.27 !N35ND2-CB
assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  37 and name CB) 3.70 2.70 5.81 !G38N-N37CB
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  37 and name CB) 2.39 0.25 0.25 !N37N-CB
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  37 and name CB) 2.63 1.63 2.70 !N37ND2-CB
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   8 and name CB) 2.21 0.10 0.10 !N8N-CB
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid   8 and name CB) 2.71 0.47 0.47 !N8ND2-CB
!violates calc1
!assign (segid "GB1C" and resid  32 and name NE2)(segid "GB1C" and resid  32 and name CB) 2.43 0.10 0.10 !Q32NE2-CB
assign (segid "GB1C" and resid  32 and name NE2)(segid "GB1C" and resid  32 and name CB) 2.43 1.10 1.10 !Q32NE2-CB
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  11 and name CB) 3.58 2.58 5.51 !L12N-T11CB
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  11 and name CB) 2.54 0.10 0.10 !T11N-CB
assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  17 and name CB) 2.52 0.17 0.17 !T17N-CB
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  18 and name CB) 3.30 0.10 0.10 !E19N-T18CB
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid  18 and name CB) 2.47 1.47 4.87 !T18N-CB
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  25 and name CB) 3.15 0.37 0.37 !A26N-T25CB
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  25 and name CB) 2.50 0.20 0.20 !T25N-CB
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  44 and name CB) 2.47 0.38 0.38 !T44N-CB
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  44 and name CB) 3.22 0.10 0.10 !Y45N-T44CB
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  49 and name CB) 3.81 0.35 0.35 !K50N-T49CB
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  49 and name CB) 2.50 0.28 0.28 !T49N-CB
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  49 and name CB) 5.23 1.16 1.16 !T51N-T49CB
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  51 and name CB) 4.89 1.00 1.00 !D46N-T51CB
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  51 and name CB) 3.68 0.10 0.10 !F52N-T51CB
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  51 and name CB) 5.16 1.74 1.74 !K50N-T51CB
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  51 and name CB) 2.50 0.11 0.11 !T51N-CB
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CB) 3.67 0.10 0.10 !E56N-T55CB
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid  55 and name CB) 5.28 4.28 6.62 !N8N-T55CB
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid  55 and name CB) 5.28 2.29 2.29 !N8ND2-T55CB
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  55 and name CB) 2.50 0.10 0.10 !T55N-CB
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  43 and name CB) 2.81 0.10 0.10 !T44N-W43CB
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  33 and name CB) 3.44 0.64 0.64 !A34N-Y33CB
assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  33 and name CB) 3.82 0.28 0.28 !F30N-Y33CB
assign (segid "GB1C" and resid  33 and name  N)(segid "GB1C" and resid  33 and name CB) 2.47 0.34 0.34 !Y33N-CB
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  45 and name CB) 2.35 0.10 0.10 !Y45N-CB
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.67 0.16 0.16 !E15N-I6CD1
!violates calc1
!assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   6 and name CD1) 6.34 0.15 0.15 !G14N-I6CD1
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   6 and name CD1) 6.34 1.15 1.15 !G14N-I6CD1
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid   6 and name CD1) 4.60 0.15 0.15 !K4NZ-I6CD1
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.74 0.16 0.16 !T16N-I6CD1
!violates calc2
!assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   6 and name CD1) 6.79 0.17 0.17 !V54N-I6CD1
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   6 and name CD1) 6.79 1.17 1.17 !V54N-I6CD1
!violates cacl5
!assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.43 0.14 0.14 !F52N-I6CD1
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.43 1.14 1.14 !F52N-I6CD1
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CD1) 3.39 0.10 0.10 !I6N-CD1
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   6 and name CD1) 4.74 3.74 6.54 !L7N-I6CD1
!violates calc1
!assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.10 0.10 0.10 !T53N-I6CD1
!violates calc 6 removed
!assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.10 1.10 1.10 !T53N-I6CD1
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  10 and name CD) 5.71 1.51 1.51 !E56N-K10CD
!violates calc1
!assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CD) 2.72 0.21 0.21 !K10NZ-CD
assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CD) 2.72 1.21 1.21 !K10NZ-CD
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CD) 5.58 1.45 1.45 !T11N-K10CD
!violates calc4
!assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CD) 4.35 0.10 0.10 !K13N-CD
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CD) 4.35 1.10 1.10 !K13N-CD
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CD) 2.66 0.33 0.33 !K13NZ-CD
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CD) 4.32 0.29 0.29 !K28N-CD
assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  28 and name CD) 2.88 0.10 0.10 !K28NZ-CD
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  28 and name CD) 6.84 2.84 2.84 !V29N-K28CD
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  31 and name CD) 2.52 0.15 0.15 !K31NZ-CD
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CD) 4.87 0.10 0.10 !K4N-CD
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid   4 and name CD) 2.95 1.95 5.26 !K4NZ-CD
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   4 and name CD) 5.11 0.10 0.10 !L5N-K4CD
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CD) 3.32 0.10 0.10 !K50N-CD
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CD) 2.26 0.13 0.13 !K50NZ-CD
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  50 and name CD) 6.06 5.06 6.80 !T49N-K50CD
assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  12 and name CD1) 4.31 0.10 0.10 !G38N-L12CD1
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  12 and name CD1) 3.06 0.10 0.10 !N37ND2-L12CD1
!intermoleduclar
!assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  12 and name CD2) 3.98 0.47 0.47 !D46N-L12CD2
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  12 and name CD2) 5.65 1.47 1.47 !G9N-L12CD2
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  12 and name CD2) 3.99 0.10 0.10 !L12N-CD2
!intermoleduclar
!assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  12 and name CD2) 1.00 0.00 0.10 !T44N-L12CD2
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  12 and name CD2) 5.17 0.83 0.83 !G14N-L12CD2
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  12 and name CD2) 3.44 0.43 0.43 !K13N-L12CD2
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  12 and name CD2) 5.68 1.54 1.54 !N37ND2-L12CD2
!intermoleduclar
!assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  12 and name CD2) 4.31 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid   5 and name CD2) 4.87 0.10 0.10 !F52N-L5CD2
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   5 and name CD2) 3.29 0.10 0.10 !I6N-L5CD2
!violates calc4
!assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   5 and name CD2) 5.36 0.10 0.10 !T16N-L5CD2
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   5 and name CD2) 5.36 1.10 1.10 !T16N-L5CD2
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   5 and name CD2) 3.92 2.92 5.64 !T53N-L5CD2
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   5 and name CD2) 3.77 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   7 and name CD1) 3.98 0.10 0.10 !E15N-L7CD1
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   7 and name CD1) 3.98 1.10 1.10 !E15N-L7CD1
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CD1) 3.28 0.10 0.10 !L7N-CD1
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   7 and name CD1) 4.79 3.79 4.73 !N8N-L7CD1
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   7 and name CD1) 4.06 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   7 and name CD2) 4.76 0.10 0.10 !E15N-L7CD2
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   7 and name CD2) 4.76 1.10 1.10 !E15N-L7CD2
!violates calc4
!assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   7 and name CD2) 5.08 0.14 0.14 !G14N-L7CD2
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   7 and name CD2) 5.08 1.14 1.14 !G14N-L7CD2
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid   7 and name CD2) 5.09 4.09 6.54 !G9N-L7CD2
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid   7 and name CD2) 4.79 0.16 0.16 !K13N-L7CD2
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid   7 and name CD2) 6.73 0.16 0.16 !K13NZ-L7CD2
!violates calc4
!assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CD2) 3.50 0.10 0.10 !L7N-CD2
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CD2) 3.50 1.10 1.10 !L7N-CD2
!violates calc4
!assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   7 and name CD2) 4.61 0.10 0.10 !N8N-L7CD2
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   7 and name CD2) 4.61 1.10 1.10 !N8N-L7CD2
!violates calc4
!assign (segid "GB1C" and resid   2 and name NE2)(segid "GB1C" and resid   2 and name CD) 1.82 0.10 0.10 !Q2NE2-CD
assign (segid "GB1C" and resid   2 and name NE2)(segid "GB1C" and resid   2 and name CD) 1.82 0.82 1.10 !Q2NE2-CD
assign (segid "GB1C" and resid  32 and name NE2)(segid "GB1C" and resid  32 and name CD) 1.70 0.10 0.10 !Q32NE2-CD
!violates calc4
!assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CE) 1.92 0.10 0.10 !K10NZ-CE
assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CE) 1.92 0.92 1.10 !K10NZ-CE
!violates calc1
!assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CE) 2.26 0.10 0.10 !K13NZ-CE
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CE) 2.26 1.10 1.10 !K13NZ-CE
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CE) 5.45 1.95 1.95 !K28N-CE
assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  28 and name CE) 1.88 0.10 0.10 !K28NZ-CE
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  31 and name CE) 1.61 0.10 0.10 !K31NZ-CE
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CE) 1.59 0.10 0.10 !K50NZ-CE
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid   1 and name CE) 4.20 1.04 1.04 !A23N-M1CE
!intermoleduclar
!assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid   1 and name CE) 4.49 0.50 0.50 !K28NZ-M1CE
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid   1 and name CE) 3.83 0.10 0.10 !K50NZ-M1CE
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid   1 and name CE) 5.00 0.10 0.10 !V21N-M1CE
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid   1 and name CE) 5.35 0.84 0.84 !D22N-M1CE
!intermoleduclar
!assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid   1 and name CE) 4.73 0.58 0.58 !K31N-M1CE
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid   1 and name CE) 3.77 0.60 0.60 !M1N-CE
!intermoleduclar
!assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid   1 and name CE) 4.74 2.15 2.15 !V29N-M1CE
!intermoleduclar
!assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid   1 and name CE) 3.54 0.49 0.49 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid   1 and name CE) 3.63 0.57 0.57 !K31NZ-M1CE
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   1 and name CE) 4.20 1.04 1.04 !Q2N-M1CE
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid   1 and name CE) 5.42 1.45 1.45 !Y3N-M1CE
!violates calc1
!assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CG) 2.82 0.10 0.10 !D40N-CG
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CG) 2.82 1.10 1.10 !D40N-CG
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  40 and name CG) 3.57 0.10 0.10 !G41N-D40CG
!violates calc1
!assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CG) 3.22 0.11 0.11 !T16N-E15CG
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CG) 3.22 1.11 1.11 !T16N-E15CG
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  15 and name CG) 2.77 0.10 0.10 !E15N-CG
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  27 and name CG) 5.36 0.10 0.10 !A26N-E27CG
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  27 and name CG) 3.28 0.11 0.11 !K28N-E27CG
!violates calc4
!assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  27 and name CG) 3.67 0.10 0.10 !K31NZ-E27CG
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  27 and name CG) 3.67 1.10 1.10 !K31NZ-E27CG
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  27 and name CG) 3.30 0.10 0.10 !E27N-CG
!violates calc1
!assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  27 and name CG) 4.19 0.10 0.10 !K31N-E27CG
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  27 and name CG) 4.19 1.10 1.10 !K31N-E27CG
!intermoleduclar
!assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid  27 and name CG) 4.23 3.23 5.29 !M1N-E27CG
assign (segid "GB1C" and resid  42 and name  N)(segid "GB1C" and resid  42 and name CG) 2.56 0.12 0.12 !E42N-CG
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  56 and name CG) 2.50 0.10 0.10 !E56N-CG
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CG1) 2.76 0.10 0.10 !I6N-CG1
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   6 and name CG1) 4.35 0.27 0.27 !L7N-I6CG1
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   6 and name CG1) 5.40 1.12 1.12 !T53N-I6CG1
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   6 and name CG2) 5.57 1.65 1.65 !E15N-I6CG2
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid   6 and name CG2) 6.40 5.40 6.76 !G9N-I6CG2
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   6 and name CG2) 3.04 0.10 0.10 !L7N-I6CG2
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   6 and name CG2) 5.64 1.93 1.93 !T16N-I6CG2
!violates calc4
!assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid   6 and name CG2) 5.56 1.28 1.28 !F52N-I6CG2
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid   6 and name CG2) 5.56 2.28 2.28 !F52N-I6CG2
!violates calc4
!assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CG2) 3.30 0.10 0.10 !I6N-CG2
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CG2) 3.30 1.10 1.10 !I6N-CG2
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   6 and name CG2) 4.67 0.24 0.24 !N8N-I6CG2
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   6 and name CG2) 5.81 4.81 6.83 !T53N-I6CG2
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   6 and name CG2) 5.46 1.46 1.46 !G14N-I6CG2
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid   6 and name CG2) 7.30 5.73 5.73 !K4NZ-I6CG2
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid   6 and name CG2) 5.57 1.65 1.65 !N8ND2-I6CG2
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CG) 2.87 0.10 0.10 !K10N-CG
assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CG) 3.89 0.10 0.10 !K10NZ-CG
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CG) 4.25 0.20 0.20 !T11N-K10CG
!violates calc1
!assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  13 and name CG) 3.41 0.10 0.10 !G14N-K13CG
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  13 and name CG) 3.41 1.10 1.10 !G14N-K13CG
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  13 and name CG) 4.27 0.10 0.10 !G9N-K13CG
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CG) 3.06 0.10 0.10 !K13N-CG
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CG) 4.10 3.10 6.02 !K13NZ-CG
!intermoleduclar
!assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  13 and name CG) 4.23 0.10 0.10 !Y45N-K13CG
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CG) 2.67 0.22 0.22 !K28N-CG
!violates calc4
!assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  31 and name CG) 2.43 0.16 0.16 !K31N-CG
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  31 and name CG) 2.43 1.16 1.16 !K31N-CG
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CG) 3.94 0.10 0.10 !K4N-CG
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   4 and name CG) 3.43 0.10 0.10 !L5N-K4CG
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   4 and name CG) 4.42 0.28 0.28 !T16N-K4CG
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid   4 and name CG) 5.30 2.33 2.33 !T51N-K4CG
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CG) 2.70 0.29 0.29 !K50N-CG
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CG) 3.74 0.27 0.27 !K50NZ-CG
!violates calc4
!assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  12 and name CG) 3.08 0.10 0.10 !K13N-L12CG
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  12 and name CG) 3.08 1.10 1.10 !K13N-L12CG
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid   1 and name CG) 3.61 0.50 0.50 !M1N-CG
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   1 and name CG) 3.01 0.10 0.10 !Q2N-M1CG
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid   1 and name CG) 5.88 4.88 6.46 !V21N-M1CG
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid   1 and name CG) 4.82 1.41 1.41 !Y3N-M1CG
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  35 and name CG) 3.53 0.10 0.10 !N35N-CG
!violates calc4
!assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CG) 1.87 0.10 0.10 !N35ND2-CG
assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CG) 1.87 0.87 1.10 !N35ND2-CG
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  37 and name CG) 1.42 0.10 0.10 !N37ND2-CG
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid   8 and name CG) 1.41 0.10 0.10 !N8ND2-CG
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   2 and name CG) 3.12 0.10 0.10 !Q2N-CG
assign (segid "GB1C" and resid   2 and name NE2)(segid "GB1C" and resid   2 and name CG) 2.78 0.10 0.10 !Q2NE2-CG
assign (segid "GB1C" and resid  32 and name NE2)(segid "GB1C" and resid  32 and name CG) 2.59 0.12 0.12 !Q32NE2-CG
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  11 and name CG2) 4.38 0.40 0.40 !L12N-T11CG2
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  11 and name CG2) 2.80 0.12 0.12 !T11N-CG2
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid  16 and name CG2) 4.83 0.98 0.98 !L5N-T16CG2
!violates calc1
!assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  16 and name CG2) 2.63 0.37 0.37 !T16N-CG2
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  16 and name CG2) 2.63 1.37 1.37 !T16N-CG2
!violates calc1
!assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  17 and name CG2) 2.56 0.21 0.21 !T17N-CG2
assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  17 and name CG2) 2.56 1.21 1.21 !T17N-CG2
!violates calc4
!assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  18 and name CG2) 3.07 0.10 0.10 !E19N-T18CG2
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  18 and name CG2) 3.07 1.10 1.10 !E19N-T18CG2
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid  18 and name CG2) 2.81 0.10 0.10 !T18N-CG2
!violates calc4
!assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  25 and name CG2) 2.72 0.10 0.10 !T25N-CG2
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  25 and name CG2) 2.72 1.10 1.10 !T25N-CG2
!intermoleduclar
!assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  44 and name CG2) 3.44 0.10 0.10 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  44 and name CG2) 4.85 0.86 0.86 !G14N-T44CG2
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  44 and name CG2) 2.71 0.11 0.11 !T44N-CG2
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  49 and name CG2) 5.16 0.88 0.88 !K50N-T49CG2
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  49 and name CG2) 2.88 0.25 0.25 !T49N-CG2
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  49 and name CG2) 5.12 0.90 0.90 !T51N-T49CG2
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  51 and name CG2) 3.18 0.15 0.15 !F52N-T51CG2
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid  51 and name CG2) 5.15 0.40 0.40 !K4N-T51CG2
!violates calc4
!assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  51 and name CG2) 3.23 0.10 0.10 !T51N-CG2
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  51 and name CG2) 3.23 1.10 1.10 !T51N-CG2
!violates calc1
!assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid  53 and name CG2) 3.54 0.10 0.10 !I6N-T53CG2
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid  53 and name CG2) 3.54 1.10 1.10 !I6N-T53CG2
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  53 and name CG2) 2.97 0.10 0.10 !T53N-CG2
!violates calc4
!assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CG2) 2.89 0.52 0.52 !E56N-T55CG2
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CG2) 2.89 1.52 1.52 !E56N-T55CG2
!violates calc4
!assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid  55 and name CG2) 3.80 0.10 0.10 !N8ND2-T55CG2
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid  55 and name CG2) 3.80 1.10 1.10 !N8ND2-T55CG2
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  55 and name CG2) 2.90 0.24 0.24 !T55N-CG2
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  21 and name CG1) 2.93 0.16 0.16 !D22N-V21CG1
!violates calc1
!assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  21 and name CG1) 2.61 0.19 0.19 !V21N-CG1
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  21 and name CG1) 2.61 1.19 1.19 !V21N-CG1
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  21 and name CG2) 3.02 0.29 0.29 !D22N-V21CG2
!violates calc2
!assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  21 and name CG2) 2.81 0.32 0.32 !V21N-CG2
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  21 and name CG2) 2.81 1.32 1.32 !V21N-CG2
!violates calc4
!assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  29 and name CG1) 2.81 0.10 0.10 !F30N-V29CG1
assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  29 and name CG1) 2.81 1.10 1.10 !F30N-V29CG1
!violates calc1
!assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  29 and name CG1) 4.67 0.74 0.74 !K28N-V29CG1
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  29 and name CG1) 4.67 1.74 1.74 !K28N-V29CG1
!violates calc2
!assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  29 and name CG1) 2.96 0.10 0.10 !V29N-CG1
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  29 and name CG1) 2.96 1.10 1.10 !V29N-CG1
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  29 and name CG2) 5.39 2.05 2.05 !E27N-V29CG2
assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  29 and name CG2) 4.29 0.26 0.26 !F30N-V29CG2
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  29 and name CG2) 5.28 1.86 1.86 !K28N-V29CG2
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  29 and name CG2) 2.69 0.10 0.10 !V29N-CG2
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  39 and name CG1) 3.26 2.26 5.48 !D40N-V39CG1
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  39 and name CG1) 4.85 0.38 0.38 !G9N-V39CG1
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  39 and name CG1) 6.09 0.39 0.39 !L12N-V39CG1
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  39 and name CG1) 6.80 0.38 0.38 !T11N-V39CG1
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  39 and name CG1) 2.81 0.10 0.10 !V39N-CG1
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  39 and name CG1) 5.64 0.39 0.39 !N37N-V39CG1
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  54 and name CG1) 6.13 2.85 2.85 !G41N-V54CG1
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  54 and name CG1) 5.76 1.03 1.03 !G9N-V54CG1
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid  54 and name CG1) 5.89 2.02 2.02 !I6N-V54CG1
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid  54 and name CG1) 4.87 0.70 0.70 !L7N-V54CG1
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  54 and name CG1) 6.13 2.44 2.44 !T53N-V54CG1
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  54 and name CG1) 4.15 0.10 0.10 !T55N-V54CG1
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid  54 and name CG1) 3.04 0.12 0.12 !V54N-CG1
!violates calc1
!assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  54 and name CG1) 4.64 0.51 0.51 !W43N-V54CG1
!violates again cacl5
!assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  54 and name CG1) 4.64 1.51 1.51 !W43N-V54CG1
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  54 and name CG1) 5.00 0.85 0.85 !W43NE1-V54CG1
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  54 and name CG1) 6.17 5.17 6.99 !A34N-V54CG1
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  54 and name CG1) 6.13 2.85 2.85 !E56N-V54CG1
assign (segid "GB1C" and resid  32 and name  N)(segid "GB1C" and resid  54 and name CG1) 6.30 5.30 6.72 !Q32N-V54CG1
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  54 and name CG2) 3.05 0.10 0.10 !G41N-V54CG2
!violates calc1
!assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid  54 and name CG2) 3.09 0.10 0.10 !V54N-CG2
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid  54 and name CG2) 3.09 1.10 1.10 !V54N-CG2
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  54 and name CG2) 3.21 0.10 0.10 !W43NE1-V54CG2
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  54 and name CG2) 2.92 1.92 5.23 !T55N-V54CG2
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  54 and name CG2) 4.94 0.10 0.10 !W43N-V54CG2
assign (segid "GB1C" and resid  20 and name  N)(segid "GB1C" and resid  20 and name CA) 1.44 0.10 0.10 !A20N-CA
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  20 and name CA) 4.68 2.37 2.37 !D22N-A20CA
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid  20 and name CA) 5.20 4.20 6.53 !M1N-A20CA
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  20 and name CA) 2.70 0.10 0.10 !V21N-A20CA
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  23 and name CA) 1.44 0.10 0.10 !A23N-CA
assign (segid "GB1C" and resid  24 and name  N)(segid "GB1C" and resid  24 and name CA) 1.53 0.10 0.10 !A24N-CA
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  24 and name CA) 2.80 0.10 0.10 !T25N-A24CA
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  26 and name CA) 1.45 0.10 0.10 !A26N-CA
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  26 and name CA) 2.51 0.16 0.16 !E27N-A26CA
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  26 and name CA) 4.24 1.13 1.13 !T25N-A26CA
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  34 and name CA) 1.46 0.10 0.10 !A34N-CA
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  34 and name CA) 2.50 0.12 0.12 !N35N-A34CA
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  48 and name CA) 1.46 0.10 0.10 !A48N-CA
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  48 and name CA) 4.22 1.45 1.45 !D47N-A48CA
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  48 and name CA) 2.49 0.10 0.10 !T49N-A48CA
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  22 and name CA) 2.50 0.16 0.16 !A23N-D22CA
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  22 and name CA) 1.44 0.10 0.10 !D22N-CA
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  22 and name CA) 3.82 0.89 0.89 !V21N-D22CA
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  36 and name CA) 1.44 0.10 0.10 !D36N-CA
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  36 and name CA) 2.51 0.18 0.18 !N37N-D36CA
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CA) 1.48 0.10 0.10 !D40N-CA
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  40 and name CA) 2.59 0.10 0.10 !G41N-D40CA
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  46 and name CA) 4.20 0.98 0.98 !A48N-D46CA
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  46 and name CA) 1.45 0.10 0.10 !D46N-CA
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  46 and name CA) 2.61 0.10 0.10 !D47N-D46CA
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  47 and name CA) 2.82 0.41 0.41 !A48N-D47CA
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  47 and name CA) 1.41 0.10 0.10 !D47N-CA
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  47 and name CA) 5.95 4.95 5.76 !T49N-D47CA
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  15 and name CA) 1.44 0.10 0.10 !E15N-CA
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CA) 2.70 0.20 0.20 !T16N-E15CA
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  19 and name CA) 1.53 0.10 0.10 !E19N-CA
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  27 and name CA) 1.44 0.10 0.10 !E27N-CA
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  27 and name CA) 2.49 0.10 0.10 !K28N-E27CA
assign (segid "GB1C" and resid  42 and name  N)(segid "GB1C" and resid  42 and name CA) 1.06 0.06 0.10 !E42N-CA
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  56 and name CA) 1.44 0.28 0.28 !E56N-CA
assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  30 and name CA) 1.45 0.10 0.10 !F30N-CA
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  30 and name CA) 2.56 0.10 0.10 !K31N-F30CA
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  52 and name CA) 1.43 0.10 0.10 !F52N-CA
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  52 and name CA) 2.64 0.16 0.16 !T53N-F52CA
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  14 and name CA) 1.43 0.10 0.10 !G14N-CA
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  14 and name CA) 2.62 0.14 0.14 !E15N-G14CA
assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  38 and name CA) 1.43 0.10 0.10 !G38N-CA
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  38 and name CA) 4.36 1.53 1.53 !N37N-G38CA
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  38 and name CA) 2.60 0.10 0.10 !V39N-G38CA
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  41 and name CA) 1.47 0.10 0.10 !G41N-CA
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  41 and name CA) 4.34 1.10 1.10 !D40N-G41CA
assign (segid "GB1C" and resid  42 and name  N)(segid "GB1C" and resid  41 and name CA) 2.63 0.10 0.10 !E42N-G41CA
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid   9 and name CA) 1.44 0.10 0.10 !G9N-CA
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid   9 and name CA) 5.64 4.64 5.18 !K13N-G9CA
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   9 and name CA) 4.91 2.64 2.64 !N8N-G9CA
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid   9 and name CA) 2.58 0.17 0.17 !K10N-G9CA
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid   9 and name CA) 4.65 2.55 2.55 !L12N-G9CA
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CA) 1.45 0.10 0.10 !K10N-CA
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CA) 2.53 0.11 0.11 !T11N-K10CA
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  13 and name CA) 2.58 0.14 0.14 !G14N-K13CA
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CA) 1.44 0.10 0.10 !K13N-CA
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CA) 1.44 0.10 0.10 !K28N-CA
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  28 and name CA) 2.39 0.10 0.10 !V29N-K28CA
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  31 and name CA) 1.45 0.10 0.10 !K31N-CA
assign (segid "GB1C" and resid  32 and name  N)(segid "GB1C" and resid  31 and name CA) 2.53 0.12 0.12 !Q32N-K31CA
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CA) 1.44 0.10 0.10 !K4N-CA
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   4 and name CA) 2.54 0.10 0.10 !L5N-K4CA
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CA) 1.44 0.10 0.10 !K50N-CA
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  50 and name CA) 4.95 1.30 1.30 !T49N-K50CA
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  35 and name CA) 2.60 0.10 0.10 !D36N-N35CA
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  35 and name CA) 1.41 0.10 0.10 !N35N-CA
assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  37 and name CA) 2.59 0.21 0.21 !G38N-N37CA
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  37 and name CA) 4.29 1.20 1.20 !N37ND2-CA
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid   8 and name CA) 2.46 0.17 0.17 !G9N-N8CA
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid   8 and name CA) 4.05 0.90 0.90 !N8ND2-CA
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid   2 and name CA) 2.33 0.10 0.10 !Y3N-Q2CA
assign (segid "GB1C" and resid  32 and name  N)(segid "GB1C" and resid  32 and name CA) 1.47 0.10 0.10 !Q32N-CA
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  11 and name CA) 2.56 0.10 0.10 !L12N-T11CA
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  11 and name CA) 1.43 0.43 0.63 !T11N-CA
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  16 and name CA) 1.38 0.10 0.10 !T16N-CA
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  18 and name CA) 2.58 0.15 0.15 !E19N-T18CA
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid  18 and name CA) 1.44 0.10 0.10 !T18N-CA
assign (segid "GB1C" and resid  24 and name  N)(segid "GB1C" and resid  25 and name CA) 4.68 1.60 1.60 !A24N-T25CA
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  25 and name CA) 2.53 0.15 0.15 !A26N-T25CA
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  25 and name CA) 1.49 0.10 0.10 !T25N-CA
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  44 and name CA) 1.43 0.10 0.10 !T44N-CA
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  44 and name CA) 2.59 0.10 0.10 !Y45N-T44CA
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  49 and name CA) 1.44 0.10 0.10 !T49N-CA
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  51 and name CA) 2.59 0.15 0.15 !F52N-T51CA
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  51 and name CA) 4.63 3.27 3.27 !K50N-T51CA
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  51 and name CA) 1.43 0.10 0.10 !T51N-CA
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  53 and name CA) 1.43 0.10 0.10 !T53N-CA
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid  53 and name CA) 2.82 0.10 0.10 !V54N-T53CA
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CA) 2.61 0.18 0.18 !E56N-T55CA
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  55 and name CA) 1.46 0.10 0.10 !T55N-CA
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  43 and name CA) 1.43 0.10 0.10 !W43N-CA
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  33 and name CA) 2.39 0.15 0.15 !A34N-Y33CA
assign (segid "GB1C" and resid  33 and name  N)(segid "GB1C" and resid  33 and name CA) 1.44 0.10 0.10 !Y33N-CA
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   3 and name CA) 2.57 0.19 0.19 !K4N-Y3CA
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   3 and name CA) 4.13 1.02 1.02 !Q2N-Y3CA
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid   3 and name CA) 5.03 4.03 5.10 !T18N-Y3CA
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid   3 and name CA) 1.44 0.10 0.10 !Y3N-CA
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  45 and name CA) 2.56 0.14 0.14 !D46N-Y45CA
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  45 and name CA) 5.95 4.95 6.15 !D47N-Y45CA
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  45 and name CA) 1.44 0.10 0.10 !Y45N-CA
assign (segid "GB1C" and resid  20 and name  N)(segid "GB1C" and resid  20 and name CB) 2.41 0.20 0.20 !A20N-CB
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  20 and name CB) 4.08 0.45 0.45 !A26N-A20CB
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  20 and name CB) 3.92 0.10 0.10 !D22N-A20CB
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  20 and name CB) 3.25 0.10 0.10 !V21N-A20CB
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  23 and name CB) 2.34 0.10 0.10 !A23N-CB
assign (segid "GB1C" and resid  24 and name  N)(segid "GB1C" and resid  24 and name CB) 2.35 0.10 0.10 !A24N-CB
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  24 and name CB) 3.39 0.10 0.10 !T25N-A24CB
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  26 and name CB) 2.42 0.13 0.13 !A26N-CB
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  26 and name CB) 3.36 0.31 0.31 !E27N-A26CB
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  26 and name CB) 5.28 0.98 0.98 !K28N-A26CB
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  34 and name CB) 2.42 0.10 0.10 !A34N-CB
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  34 and name CB) 3.32 0.10 0.10 !N35N-A34CB
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  48 and name CB) 2.45 0.10 0.10 !A48N-CB
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  48 and name CB) 3.38 0.10 0.10 !T49N-A48CB
assign (segid "GB1C" and resid  23 and name  N)(segid "GB1C" and resid  22 and name CB) 3.21 0.10 0.10 !A23N-D22CB
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  22 and name CB) 2.44 0.13 0.13 !D22N-CB
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  36 and name CB) 2.44 0.10 0.10 !D36N-CB
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  36 and name CB) 3.46 0.10 0.10 !N37N-D36CB
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CB) 2.46 0.18 0.18 !D40N-CB
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  40 and name CB) 3.64 0.46 0.46 !G41N-D40CB
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  46 and name CB) 2.48 0.22 0.22 !D46N-CB
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  46 and name CB) 3.90 0.10 0.10 !D47N-D46CB
!violates calc1
!assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  47 and name CB) 4.32 0.18 0.18 !A48N-D47CB
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  47 and name CB) 4.32 1.18 1.18 !A48N-D47CB
!violates calc4
!assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  47 and name CB) 3.00 0.17 0.17 !D47N-CB
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  47 and name CB) 3.00 1.17 1.17 !D47N-CB
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  15 and name CB) 2.50 0.18 0.18 !E15N-CB
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  27 and name CB) 2.42 0.11 0.11 !E27N-CB
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  27 and name CB) 3.20 0.10 0.10 !K28N-E27CB
assign (segid "GB1C" and resid  42 and name  N)(segid "GB1C" and resid  42 and name CB) 2.51 0.14 0.14 !E42N-CB
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  42 and name CB) 3.41 0.29 0.29 !W43N-E42CB
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  56 and name CB) 2.45 0.10 0.10 !E56N-CB
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CB) 2.50 0.32 0.32 !I6N-CB
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   6 and name CB) 3.50 0.10 0.10 !L7N-I6CB
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   6 and name CB) 5.72 0.10 0.10 !V54N-I6CB
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CB) 2.38 0.10 0.10 !K10N-CB
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CB) 3.37 0.10 0.10 !T11N-K10CB
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  13 and name CB) 3.21 0.31 0.31 !G14N-K13CB
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CB) 2.41 0.36 0.36 !K13N-CB
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CB) 2.41 0.10 0.10 !K28N-CB
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  28 and name CB) 3.15 0.14 0.14 !V29N-K28CB
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  31 and name CB) 2.35 0.10 0.10 !K31N-CB
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CB) 2.42 0.10 0.10 !K4N-CB
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   4 and name CB) 3.34 0.12 0.12 !L5N-K4CB
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CB) 2.43 0.10 0.10 !K50N-CB
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CB) 4.66 0.53 0.53 !K50NZ-CB
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  50 and name CB) 4.15 1.07 1.07 !T51N-K50CB
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  12 and name CB) 2.38 0.10 0.10 !L12N-CB
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   7 and name CB) 4.01 1.04 1.04 !G14N-L7CB
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CB) 2.45 0.34 0.34 !L7N-CB
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   7 and name CB) 3.67 0.20 0.20 !N8N-L7CB
!intermoleduclar
!assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid   1 and name CB) 4.87 1.08 1.08 !K31NZ-M1CB
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   1 and name CB) 3.34 0.23 0.23 !Q2N-M1CB
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  35 and name CB) 3.15 0.13 0.13 !D36N-N35CB
assign (segid "GB1C" and resid  35 and name  N)(segid "GB1C" and resid  35 and name CB) 2.42 0.10 0.10 !N35N-CB
!violates calc1
!assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CB) 3.74 0.10 0.10 !N35ND2-CB
assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CB) 3.74 1.10 1.10 !N35ND2-CB
!violates calc5
!assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  37 and name CB) 3.88 0.10 0.10 !G38N-N37CB
assign (segid "GB1C" and resid  38 and name  N)(segid "GB1C" and resid  37 and name CB) 3.88 1.10 1.10 !G38N-N37CB
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  37 and name CB) 2.27 0.10 0.10 !N37N-CB
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  37 and name CB) 2.58 0.11 0.11 !N37ND2-CB
assign (segid "GB1C" and resid  32 and name  N)(segid "GB1C" and resid  32 and name CB) 2.24 0.12 0.12 !Q32N-CB
assign (segid "GB1C" and resid  32 and name NE2)(segid "GB1C" and resid  32 and name CB) 3.91 0.37 0.37 !Q32NE2-CB
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  11 and name CB) 3.58 0.10 0.10 !L12N-T11CB
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  11 and name CB) 2.50 0.10 0.10 !T11N-CB
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  16 and name CB) 2.43 0.13 0.13 !T16N-CB
assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  16 and name CB) 3.24 0.10 0.10 !T17N-T16CB
assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  17 and name CB) 2.15 0.56 0.56 !T17N-CB
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  18 and name CB) 3.26 0.10 0.10 !E19N-T18CB
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid  18 and name CB) 2.46 0.10 0.10 !T18N-CB
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  25 and name CB) 3.48 0.43 0.43 !A26N-T25CB
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  25 and name CB) 2.44 0.15 0.15 !T25N-CB
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  44 and name CB) 2.45 0.10 0.10 !T44N-CB
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  44 and name CB) 4.79 0.59 0.59 !T53N-T44CB
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  44 and name CB) 3.31 0.10 0.10 !Y45N-T44CB
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  49 and name CB) 3.84 0.10 0.10 !K50N-T49CB
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  49 and name CB) 2.45 0.10 0.10 !T49N-CB
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  49 and name CB) 4.81 0.56 0.56 !T51N-T49CB
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  51 and name CB) 5.28 3.00 3.00 !D46N-T51CB
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  51 and name CB) 3.63 0.27 0.27 !F52N-T51CB
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  51 and name CB) 5.51 0.79 0.79 !K50N-T51CB
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  51 and name CB) 5.95 1.79 1.79 !T49N-T51CB
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  51 and name CB) 2.47 0.10 0.10 !T51N-CB
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CB) 3.66 0.10 0.10 !E56N-T55CB
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  55 and name CB) 2.48 0.15 0.15 !T55N-CB
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  21 and name CB) 2.43 0.10 0.10 !V21N-CB
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  15 and name CD) 3.71 0.10 0.10 !E15N-CD
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid  15 and name CD) 5.76 0.10 0.10 !I6N-E15CD
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid  15 and name CD) 5.62 0.10 0.10 !L7N-E15CD
!intermoleduclar
!assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  15 and name CD) 4.63 0.10 0.10 !W43N-E15CD
!intermoleduclar
!assign (segid "GB1C" and resid  42 and name  N)(segid "GB1C" and resid  15 and name CD) 4.03 0.10 0.10 !E42N-E15CD
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid  15 and name CD) 3.71 0.10 0.10 !K4NZ-E15CD
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CD) 4.24 3.24 6.87 !T16N-E15CD
!violates calc1
!assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  19 and name CD) 3.60 0.10 0.10 !E19N-CD
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  19 and name CD) 3.60 1.10 1.10 !E19N-CD
!intermoleduclar
!assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  19 and name CD) 6.40 5.40 7.08 !K13NZ-E19CD
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid  19 and name CD) 4.14 0.24 0.24 !M1N-E19CD
assign (segid "GB1C" and resid   2 and name NE2)(segid "GB1C" and resid  19 and name CD) 5.53 0.25 0.25 !Q2NE2-E19CD
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid  19 and name CD) 6.86 0.35 0.35 !T18N-E19CD
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid  19 and name CD) 7.08 0.35 0.35 !Y3N-E19CD
assign (segid "GB1C" and resid  26 and name  N)(segid "GB1C" and resid  27 and name CD) 6.21 0.10 0.10 !A26N-E27CD
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  27 and name CD) 4.94 0.10 0.10 !E27N-CD
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  27 and name CD) 4.25 0.10 0.10 !K28N-E27CD
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  27 and name CD) 4.00 0.10 0.10 !K31NZ-E27CD
!intermoleduclar
!assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid  27 and name CD) 3.45 2.45 6.61 !M1N-E27CD
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  56 and name CD) 3.42 0.20 0.20 !D40N-E56CD
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  56 and name CD) 4.89 1.06 1.06 !G9N-E56CD
assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  56 and name CD) 5.69 4.69 6.56 !K10NZ-E56CD
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  56 and name CD) 5.45 0.99 0.99 !T11N-E56CD
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  56 and name CD) 4.83 0.74 0.74 !V39N-E56CD
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  56 and name CD) 4.50 0.30 0.30 !G41N-E56CD
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  56 and name CD) 3.60 0.13 0.13 !K10N-E56CD
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  56 and name CD) 7.18 6.18 6.68 !K13NZ-E56CD
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  56 and name CD) 6.50 2.64 2.64 !T55N-E56CD
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.91 1.03 1.03 !E15N-I6CD1
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CD1) 3.62 0.33 0.33 !I6N-CD1
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   6 and name CD1) 4.55 3.55 6.27 !L7N-I6CD1
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.35 3.54 3.54 !T53N-I6CD1
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.65 0.64 0.64 !F52N-I6CD1
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   6 and name CD1) 6.89 1.83 1.83 !K4N-I6CD1
assign (segid "GB1C" and resid   8 and name  N)(segid "GB1C" and resid   6 and name CD1) 7.30 3.14 3.14 !N8N-I6CD1
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   6 and name CD1) 6.82 1.69 1.69 !V54N-I6CD1
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid   6 and name CD1) 7.30 1.98 1.98 !G14N-I6CD1
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid   6 and name CD1) 5.05 0.44 0.44 !K4NZ-I6CD1
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   6 and name CD1) 5.91 1.03 1.03 !T16N-I6CD1
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CD) 4.31 0.10 0.10 !K10N-CD
!violates calc2
!assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CD) 3.52 0.27 0.27 !K10NZ-CD
assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CD) 3.52 1.27 1.27 !K10NZ-CD
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CD) 6.28 1.69 1.69 !T11N-K10CD
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CD) 3.87 0.40 0.40 !K13N-CD
!violates calc4
!assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CD) 2.91 0.10 0.10 !K13NZ-CD
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CD) 2.91 1.10 1.10 !K13NZ-CD
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  28 and name CD) 5.96 1.11 1.11 !E27N-K28CD
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CD) 4.58 0.10 0.10 !K28N-CD
!violates calc1
!assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  28 and name CD) 3.29 0.10 0.10 !K28NZ-CD
assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  28 and name CD) 3.29 1.10 1.10 !K28NZ-CD
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  31 and name CD) 2.32 0.10 0.10 !K31NZ-CD
!violates calc1
!assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid   4 and name CD) 3.25 0.10 0.10 !K4NZ-CD
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid   4 and name CD) 3.25 1.10 1.10 !K4NZ-CD
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   4 and name CD) 5.25 4.25 6.61 !L5N-K4CD
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CD) 3.40 0.10 0.10 !K50N-CD
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CD) 2.63 0.10 0.10 !K50NZ-CD
!violates calc4
!assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  12 and name CD2) 3.43 0.10 0.10 !K13N-L12CD2
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  12 and name CD2) 3.43 1.10 1.10 !K13N-L12CD2
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  12 and name CD2) 4.50 0.17 0.17 !L12N-CD2
!intermoleduclar
!assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  12 and name CD2) 4.41 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   5 and name CD2) 3.19 2.19 4.74 !I6N-L5CD2
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   5 and name CD2) 3.70 0.10 0.10 !T53N-L5CD2
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid   5 and name CD2) 3.67 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   7 and name CD1) 5.02 0.10 0.10 !E15N-L7CD1
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid   7 and name CD1) 5.02 1.10 1.10 !E15N-L7CD1
!violates calc4
!assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CD1) 3.48 0.10 0.10 !L7N-CD1
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CD1) 3.48 1.10 1.10 !L7N-CD1
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid   7 and name CD1) 4.31 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CD2) 3.53 0.12 0.12 !L7N-CD2
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   7 and name CD2) 3.53 1.12 1.12 !L7N-CD2
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   2 and name CD) 5.18 0.82 0.82 !Q2N-CD
!violates calc4
!assign (segid "GB1C" and resid   2 and name NE2)(segid "GB1C" and resid   2 and name CD) 1.75 0.10 0.10 !Q2NE2-CD
assign (segid "GB1C" and resid   2 and name NE2)(segid "GB1C" and resid   2 and name CD) 1.75 0.75 1.10 !Q2NE2-CD
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid   2 and name CD) 6.62 5.62 7.17 !T18N-Q2CD
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  43 and name CD1) 3.70 0.39 0.39 !W43N-CD1
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  43 and name CD1) 1.46 0.10 0.10 !W43NE1-CD1
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  43 and name CD2) 5.28 1.38 1.38 !K31NZ-W43CD2
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  43 and name CD2) 5.02 3.05 3.05 !W43N-CD2
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  43 and name CD2) 2.26 0.10 0.10 !W43NE1-CD2
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  10 and name CE) 5.48 1.21 1.21 !D40N-K10CE
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CE) 4.66 0.43 0.43 !K10N-CE
assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CE) 1.58 0.10 0.10 !K10NZ-CE
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  13 and name CE) 3.65 0.38 0.38 !G9N-K13CE
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  13 and name CE) 4.19 0.67 0.67 !K10N-K13CE
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CE) 1.57 0.10 0.10 !K13NZ-CE
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  13 and name CE) 4.36 0.67 0.67 !T11N-K13CE
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  28 and name CE) 6.61 5.61 5.86 !E27N-K28CE
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CE) 5.95 2.09 2.09 !K28N-CE
assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  28 and name CE) 1.87 0.10 0.10 !K28NZ-CE
!violates cacl4
!assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  31 and name CE) 1.90 0.10 0.10 !K31NZ-CE
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  31 and name CE) 1.90 0.90 1.10 !K31NZ-CE
!violates calc1
!assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CE) 2.20 0.10 0.10 !K50NZ-CE
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid  50 and name CE) 2.20 1.10 1.10 !K50NZ-CE
!intermoleduclar
!assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid   1 and name CE) 3.34 0.10 0.10 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid   1 and name CE) 4.32 0.10 0.10 !K31N-M1CE
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   1 and name CE) 4.06 3.06 6.00 !Q2N-M1CE
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  43 and name CZ2) 4.49 0.25 0.25 !K31N-W43CZ2
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  43 and name CZ2) 2.52 0.17 0.17 !W43NE1-CZ2
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  43 and name CZ3) 4.53 0.10 0.10 !K31N-W43CZ3
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  43 and name CZ3) 6.04 0.10 0.10 !T44N-W43CZ3
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid  43 and name CZ3) 4.55 0.10 0.10 !V54N-W43CZ3
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  43 and name CZ3) 4.10 0.10 0.10 !W43NE1-CZ3
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  43 and name CZ3) 6.38 0.10 0.10 !K31NZ-W43CZ3
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  43 and name CZ3) 4.90 3.90 6.38 !T53N-W43CZ3
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  43 and name CZ3) 6.02 0.10 0.10 !W43N-CZ3
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  36 and name CG) 2.56 0.10 0.10 !D36N-CG
!violates calc4
!assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CG) 4.51 0.32 0.32 !D40N-CG
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  40 and name CG) 4.51 1.32 1.32 !D40N-CG
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  40 and name CG) 4.23 0.15 0.15 !G41N-D40CG
assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  40 and name CG) 5.99 4.99 4.99 !K10NZ-D40CG
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  40 and name CG) 6.60 0.16 0.16 !V39N-D40CG
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  46 and name CG) 3.42 0.10 0.10 !A48N-D46CG
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  46 and name CG) 3.53 0.19 0.19 !D46N-CG
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  46 and name CG) 3.24 0.10 0.10 !D47N-D46CG
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  46 and name CG) 3.67 0.10 0.10 !T49N-D46CG
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  47 and name CG) 3.76 0.51 0.51 !D47N-CG
!intermoleduclar
!assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  47 and name CG) 6.65 5.64 5.64 !L12N-D47CG
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  15 and name CG) 2.49 1.49 6.12 !E15N-CG
!violates calc1
!assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CG) 3.47 0.10 0.10 !T16N-E15CG
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  15 and name CG) 3.47 1.10 1.10 !T16N-E15CG
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  56 and name CG) 2.48 0.25 0.25 !E56N-CG
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  56 and name CG) 5.41 1.40 1.40 !G41N-E56CG
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  56 and name CG) 5.07 1.34 1.34 !G9N-E56CG
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  56 and name CG) 3.86 0.16 0.16 !K10N-E56CG
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  56 and name CG) 6.02 4.84 4.84 !T55N-E56CG
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  30 and name CG) 5.86 1.46 1.46 !A34N-F30CG
assign (segid "GB1C" and resid  27 and name  N)(segid "GB1C" and resid  30 and name CG) 4.82 0.34 0.34 !E27N-F30CG
assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  30 and name CG) 2.99 0.10 0.10 !F30N-CG
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  30 and name CG) 4.42 0.10 0.10 !K31N-F30CG
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid  30 and name CG) 5.68 0.62 0.62 !L5N-F30CG
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  52 and name CG) 2.71 0.14 0.14 !F52N-CG
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  52 and name CG) 5.25 1.11 1.11 !D46N-F52CG
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid  52 and name CG) 6.05 1.49 1.49 !K4N-F52CG
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  52 and name CG) 5.72 1.15 1.15 !Y45N-F52CG
!violates calc1
!assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   6 and name CG1) 3.04 0.10 0.10 !T53N-I6CG1
!violates calc2 removed
!assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid   6 and name CG1) 3.04 1.10 1.10 !T53N-I6CG1
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid   6 and name CG2) 3.97 0.30 0.30 !I6N-CG2
assign (segid "GB1C" and resid   7 and name  N)(segid "GB1C" and resid   6 and name CG2) 3.54 0.10 0.10 !L7N-I6CG2
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  10 and name CG) 6.40 0.12 0.12 !E56N-K10CG
!violates calc4
!assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CG) 3.45 0.10 0.10 !K10N-CG
assign (segid "GB1C" and resid  10 and name  N)(segid "GB1C" and resid  10 and name CG) 3.45 1.10 1.10 !K10N-CG
!violates calc1
!assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CG) 5.95 0.12 0.12 !K10NZ-CG
!violates calc2 removed
!assign (segid "GB1C" and resid  10 and name NZ)(segid "GB1C" and resid  10 and name CG) 5.95 1.12 1.12 !K10NZ-CG
!violates calc4
!assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  10 and name CG) 5.88 0.12 0.12 !L12N-K10CG
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  10 and name CG) 5.88 1.12 1.12 !L12N-K10CG
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  10 and name CG) 4.72 3.72 4.74 !T11N-K10CG
assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  13 and name CG) 4.60 0.10 0.10 !G14N-K13CG
assign (segid "GB1C" and resid  13 and name  N)(segid "GB1C" and resid  13 and name CG) 3.22 0.10 0.10 !K13N-CG
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  13 and name CG) 4.92 2.73 2.73 !G9N-K13CG
!violates calc4
!assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CG) 3.61 0.10 0.10 !K13NZ-CG
assign (segid "GB1C" and resid  13 and name NZ)(segid "GB1C" and resid  13 and name CG) 3.61 1.10 1.10 !K13NZ-CG
assign (segid "GB1C" and resid  28 and name  N)(segid "GB1C" and resid  28 and name CG) 3.14 0.28 0.28 !K28N-CG
assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  28 and name CG) 4.19 0.28 0.28 !K28NZ-CG
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  28 and name CG) 4.41 0.30 0.30 !V29N-K28CG
assign (segid "GB1C" and resid  31 and name  N)(segid "GB1C" and resid  31 and name CG) 2.92 1.92 7.39 !K31N-CG
assign (segid "GB1C" and resid  31 and name NZ)(segid "GB1C" and resid  31 and name CG) 3.76 0.10 0.10 !K31NZ-CG
assign (segid "GB1C" and resid  43 and name NE1)(segid "GB1C" and resid  31 and name CG) 4.40 0.10 0.10 !W43NE1-K31CG
!violates calc1
!assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CG) 3.10 0.10 0.10 !K4N-CG
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   4 and name CG) 3.10 1.10 1.10 !K4N-CG
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  50 and name CG) 2.91 0.58 0.58 !K50N-CG
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  50 and name CG) 4.88 0.90 0.90 !T49N-K50CG
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  50 and name CG) 4.96 0.35 0.35 !T51N-K50CG
!violates calc1
!assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   5 and name CG) 3.05 0.10 0.10 !L5N-CG
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid   5 and name CG) 3.05 1.10 1.10 !L5N-CG
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid   1 and name CG) 3.74 0.20 0.20 !M1N-CG
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   1 and name CG) 2.86 0.10 0.10 !Q2N-M1CG
!violates calc4
!assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CG) 1.88 0.10 0.10 !N35ND2-CG
assign (segid "GB1C" and resid  35 and name ND2)(segid "GB1C" and resid  35 and name CG) 1.88 0.88 1.10 !N35ND2-CG
assign (segid "GB1C" and resid  36 and name  N)(segid "GB1C" and resid  37 and name CG) 5.05 2.33 2.33 !D36N-N37CG
!violates calc4
!assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  37 and name CG) 2.40 0.21 0.21 !N37N-CG
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  37 and name CG) 2.40 1.21 1.21 !N37N-CG
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  37 and name CG) 1.51 0.10 0.10 !N37ND2-CG
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  37 and name CG) 6.32 4.88 4.88 !V39N-N37CG
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid   8 and name CG) 1.43 0.10 0.10 !N8ND2-CG
!intermoleduclar
!assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  11 and name CG2) 4.65 0.41 0.41 !A48N-T11CG2
!intermoleduclar
!assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  11 and name CG2) 5.30 4.30 6.41 !D47N-T11CG2
assign (segid "GB1C" and resid  12 and name  N)(segid "GB1C" and resid  11 and name CG2) 4.94 0.21 0.21 !L12N-T11CG2
assign (segid "GB1C" and resid  11 and name  N)(segid "GB1C" and resid  11 and name CG2) 3.29 0.28 0.28 !T11N-CG2
assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  16 and name CG2) 6.35 0.96 0.96 !E15N-T16CG2
!violates calc4
!assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid  16 and name CG2) 5.18 0.26 0.26 !L5N-T16CG2
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid  16 and name CG2) 5.18 1.26 1.26 !L5N-T16CG2
assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  16 and name CG2) 3.53 0.23 0.23 !T16N-CG2
assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  16 and name CG2) 3.90 0.10 0.10 !T17N-T16CG2
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  17 and name CG2) 5.45 0.10 0.10 !E19N-T17CG2
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid  17 and name CG2) 6.12 0.10 0.10 !K4NZ-T17CG2
assign (segid "GB1C" and resid   2 and name NE2)(segid "GB1C" and resid  17 and name CG2) 4.96 0.10 0.10 !Q2NE2-T17CG2
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid  17 and name CG2) 4.90 3.90 6.33 !K4N-T17CG2
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid  17 and name CG2) 5.46 0.10 0.10 !L5N-T17CG2
!violates calc4
!assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  17 and name CG2) 3.17 0.10 0.10 !T17N-CG2
assign (segid "GB1C" and resid  17 and name  N)(segid "GB1C" and resid  17 and name CG2) 3.17 1.10 1.10 !T17N-CG2
assign (segid "GB1C" and resid  19 and name  N)(segid "GB1C" and resid  18 and name CG2) 3.63 0.10 0.10 !E19N-T18CG2
assign (segid "GB1C" and resid   5 and name  N)(segid "GB1C" and resid  18 and name CG2) 6.15 1.88 1.88 !L5N-T18CG2
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid  18 and name CG2) 3.30 0.10 0.10 !T18N-CG2
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid  18 and name CG2) 4.77 0.35 0.35 !Y3N-T18CG2
assign (segid "GB1C" and resid  22 and name  N)(segid "GB1C" and resid  25 and name CG2) 4.41 3.41 5.78 !D22N-T25CG2
assign (segid "GB1C" and resid  28 and name NZ)(segid "GB1C" and resid  25 and name CG2) 6.07 0.10 0.10 !K28NZ-T25CG2
assign (segid "GB1C" and resid  25 and name  N)(segid "GB1C" and resid  25 and name CG2) 3.51 0.10 0.10 !T25N-CG2
assign (segid "GB1C" and resid  21 and name  N)(segid "GB1C" and resid  25 and name CG2) 4.38 0.10 0.10 !V21N-T25CG2
!intermoleduclar
!assign (segid "GB1C" and resid  15 and name  N)(segid "GB1C" and resid  44 and name CG2) 4.22 0.24 0.24 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1C" and resid  14 and name  N)(segid "GB1C" and resid  44 and name CG2) 5.23 0.98 0.98 !G14N-T44CG2
!intermoleduclar
!assign (segid "GB1C" and resid  16 and name  N)(segid "GB1C" and resid  44 and name CG2) 5.26 1.14 1.14 !T16N-T44CG2
assign (segid "GB1C" and resid  44 and name  N)(segid "GB1C" and resid  44 and name CG2) 3.01 0.96 0.96 !T44N-CG2
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  44 and name CG2) 3.66 0.10 0.10 !T53N-T44CG2
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  44 and name CG2) 5.42 4.42 6.68 !W43N-T44CG2
assign (segid "GB1C" and resid  48 and name  N)(segid "GB1C" and resid  49 and name CG2) 5.29 0.38 0.38 !A48N-T49CG2
assign (segid "GB1C" and resid  50 and name  N)(segid "GB1C" and resid  49 and name CG2) 5.55 0.64 0.64 !K50N-T49CG2
assign (segid "GB1C" and resid  49 and name  N)(segid "GB1C" and resid  49 and name CG2) 3.38 0.10 0.10 !T49N-CG2
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  49 and name CG2) 7.41 6.41 6.75 !T51N-T49CG2
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  51 and name CG2) 3.37 0.10 0.10 !F52N-T51CG2
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid  51 and name CG2) 5.58 0.51 0.51 !K4N-T51CG2
assign (segid "GB1C" and resid   4 and name NZ)(segid "GB1C" and resid  51 and name CG2) 6.40 1.66 1.66 !K4NZ-T51CG2
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  51 and name CG2) 4.02 0.12 0.12 !T51N-CG2
!violates calc1
!assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid  53 and name CG2) 3.39 0.10 0.10 !I6N-T53CG2
assign (segid "GB1C" and resid   6 and name  N)(segid "GB1C" and resid  53 and name CG2) 3.39 1.10 1.10 !I6N-T53CG2
assign (segid "GB1C" and resid  53 and name  N)(segid "GB1C" and resid  53 and name CG2) 3.12 0.12 0.12 !T53N-CG2
!violates calc6
!assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CG2) 3.47 0.10 0.10 !E56N-T55CG2
assign (segid "GB1C" and resid  56 and name  N)(segid "GB1C" and resid  55 and name CG2) 3.47 1.10 1.10 !E56N-T55CG2
assign (segid "GB1C" and resid   8 and name ND2)(segid "GB1C" and resid  55 and name CG2) 4.39 3.39 7.09 !N8ND2-T55CG2
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  55 and name CG2) 3.46 0.10 0.10 !T55N-CG2
assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  55 and name CG2) 5.72 0.10 0.10 !W43N-T55CG2
assign (segid "GB1C" and resid  30 and name  N)(segid "GB1C" and resid  29 and name CG1) 3.57 0.24 0.24 !F30N-V29CG1
assign (segid "GB1C" and resid  29 and name  N)(segid "GB1C" and resid  29 and name CG2) 2.75 0.50 0.50 !V29N-CG2
!violates calc4
!assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  39 and name CG1) 3.81 0.10 0.10 !D40N-V39CG1
assign (segid "GB1C" and resid  40 and name  N)(segid "GB1C" and resid  39 and name CG1) 3.81 1.10 1.10 !D40N-V39CG1
assign (segid "GB1C" and resid   9 and name  N)(segid "GB1C" and resid  39 and name CG1) 5.67 0.10 0.10 !G9N-V39CG1
assign (segid "GB1C" and resid  39 and name  N)(segid "GB1C" and resid  39 and name CG1) 3.11 0.34 0.34 !V39N-CG1
assign (segid "GB1C" and resid  55 and name  N)(segid "GB1C" and resid  54 and name CG1) 4.20 0.10 0.10 !T55N-V54CG1
assign (segid "GB1C" and resid  54 and name  N)(segid "GB1C" and resid  54 and name CG1) 3.18 2.18 6.39 !V54N-CG1
!violates calc1
!assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  54 and name CG1) 4.90 0.10 0.10 !W43N-V54CG1
!violates again calc4 removed
!assign (segid "GB1C" and resid  43 and name  N)(segid "GB1C" and resid  54 and name CG1) 4.90 1.10 1.10 !W43N-V54CG1
assign (segid "GB1C" and resid  41 and name  N)(segid "GB1C" and resid  54 and name CG2) 2.93 0.10 0.10 !G41N-V54CG2
assign (segid "GB1C" and resid  34 and name  N)(segid "GB1C" and resid  33 and name CG) 3.35 0.10 0.10 !A34N-Y33CG
assign (segid "GB1C" and resid  37 and name  N)(segid "GB1C" and resid  33 and name CG) 5.27 0.11 0.11 !N37N-Y33CG
!violates calc6
!assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  33 and name CG) 3.86 0.10 0.10 !N37ND2-Y33CG
assign (segid "GB1C" and resid  37 and name ND2)(segid "GB1C" and resid  33 and name CG) 3.86 1.10 1.10 !N37ND2-Y33CG
assign (segid "GB1C" and resid  33 and name  N)(segid "GB1C" and resid  33 and name CG) 3.47 0.10 0.10 !Y33N-CG
assign (segid "GB1C" and resid   4 and name  N)(segid "GB1C" and resid   3 and name CG) 4.15 0.27 0.27 !K4N-Y3CG
assign (segid "GB1C" and resid   1 and name  N)(segid "GB1C" and resid   3 and name CG) 6.34 3.28 3.28 !M1N-Y3CG
assign (segid "GB1C" and resid  18 and name  N)(segid "GB1C" and resid   3 and name CG) 5.56 1.21 1.21 !T18N-Y3CG
assign (segid "GB1C" and resid   3 and name  N)(segid "GB1C" and resid   3 and name CG) 3.07 0.34 0.34 !Y3N-CG
assign (segid "GB1C" and resid  50 and name NZ)(segid "GB1C" and resid   3 and name CG) 6.69 5.69 6.95 !K50NZ-Y3CG
assign (segid "GB1C" and resid   2 and name  N)(segid "GB1C" and resid   3 and name CG) 4.65 0.48 0.48 !Q2N-Y3CG
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid   3 and name CG) 6.08 2.37 2.37 !T51N-Y3CG
assign (segid "GB1C" and resid  46 and name  N)(segid "GB1C" and resid  45 and name CG) 3.27 0.10 0.10 !D46N-Y45CG
assign (segid "GB1C" and resid  47 and name  N)(segid "GB1C" and resid  45 and name CG) 4.19 0.10 0.10 !D47N-Y45CG
assign (segid "GB1C" and resid  52 and name  N)(segid "GB1C" and resid  45 and name CG) 4.93 0.52 0.52 !F52N-Y45CG
assign (segid "GB1C" and resid  51 and name  N)(segid "GB1C" and resid  45 and name CG) 5.08 0.55 0.55 !T51N-Y45CG
assign (segid "GB1C" and resid  45 and name  N)(segid "GB1C" and resid  45 and name CG) 3.67 0.29 0.29 !Y45N-CG

! Intramolecular Restraints

assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  20 and name CA) 2.10 0.13 0.13 !V21N-A20CA
assign (segid "GB1D" and resid  24 and name  N)(segid "GB1D" and resid  24 and name CA) 1.51 0.10 0.10 !A24N-CA
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  24 and name CA) 2.90 0.20 0.20 !T25N-A24CA
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  34 and name CA) 1.51 0.10 0.10 !A34N-CA
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  34 and name CA) 2.81 0.10 0.10 !N35N-A34CA
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  48 and name CA) 1.50 0.10 0.10 !A48N-CA
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  48 and name CA) 2.81 0.18 0.18 !T49N-A48CA
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  22 and name CA) 2.60 0.18 0.18 !A23N-D22CA
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  22 and name CA) 1.46 0.10 0.10 !D22N-CA
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  36 and name CA) 1.45 0.10 0.10 !D36N-CA
!violates cacl4 
!assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  36 and name CA) 2.94 0.18 0.18 !N37N-D36CA
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  36 and name CA) 2.94 1.18 1.18 !N37N-D36CA
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CA) 1.50 0.10 0.10 !D40N-CA
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  40 and name CA) 2.62 0.10 0.10 !G41N-D40CA
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  46 and name CA) 1.44 0.10 0.10 !D46N-CA
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  46 and name CA) 2.76 0.19 0.19 !D47N-D46CA
!violates cacl4
!assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  47 and name CA) 3.48 0.65 0.65 !A48N-D47CA
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  47 and name CA) 3.48 1.65 1.65 !A48N-D47CA
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  47 and name CA) 1.51 0.10 0.10 !D47N-CA
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  15 and name CA) 1.46 0.10 0.10 !E15N-CA
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CA) 2.62 0.15 0.15 !T16N-E15CA
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  19 and name CA) 1.47 0.10 0.10 !E19N-CA
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  27 and name CA) 1.48 0.10 0.10 !E27N-CA
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  27 and name CA) 2.53 0.13 0.13 !K28N-E27CA
assign (segid "GB1D" and resid  42 and name  N)(segid "GB1D" and resid  42 and name CA) 1.42 0.10 0.10 !E42N-CA
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  42 and name CA) 2.61 0.20 0.20 !W43N-E42CA
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  56 and name CA) 1.44 0.10 0.10 !E56N-CA
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  14 and name CA) 2.81 0.22 0.22 !E15N-G14CA
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  14 and name CA) 1.44 0.10 0.10 !G14N-CA
assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  38 and name CA) 1.49 0.10 0.10 !G38N-CA
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  38 and name CA) 2.53 0.12 0.12 !V39N-G38CA
assign (segid "GB1D" and resid  42 and name  N)(segid "GB1D" and resid  41 and name CA) 2.68 0.14 0.14 !E42N-G41CA
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  41 and name CA) 1.46 0.10 0.10 !G41N-CA
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid   9 and name CA) 1.42 0.10 0.10 !G9N-CA
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid   9 and name CA) 2.48 0.10 0.10 !K10N-G9CA
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CA) 1.44 0.10 0.10 !I6N-CA
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   6 and name CA) 2.21 0.10 0.10 !L7N-I6CA
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CA) 2.47 0.10 0.10 !T11N-K10CA
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  13 and name CA) 2.51 0.10 0.10 !G14N-K13CA
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CA) 1.46 0.10 0.10 !K13N-CA
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CA) 1.47 0.10 0.10 !K28N-CA
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  28 and name CA) 2.29 0.10 0.10 !V29N-K28CA
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  31 and name CA) 1.47 0.10 0.10 !K31N-CA
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CA) 1.43 0.10 0.10 !K4N-CA
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CA) 1.42 0.10 0.10 !K50N-CA
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  12 and name CA) 1.43 0.10 0.10 !L12N-CA
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  12 and name CA) 5.07 1.94 1.94 !T11N-L12CA
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   5 and name CA) 1.42 0.10 0.10 !L5N-CA
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   7 and name CA) 5.10 4.10 6.34 !G14N-L7CA
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid   7 and name CA) 5.32 4.32 6.66 !G9N-L7CA
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CA) 1.45 0.12 0.12 !L7N-CA
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   7 and name CA) 2.56 0.10 0.10 !N8N-L7CA
!violates calc4
!assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   7 and name CA) 3.85 0.86 0.86 !V54N-L7CA
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   7 and name CA) 3.85 1.86 1.86 !V54N-L7CA
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid   1 and name CA) 1.48 0.10 0.10 !M1N-CA
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  35 and name CA) 3.57 0.58 0.58 !A34N-N35CA
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  35 and name CA) 2.59 0.15 0.15 !D36N-N35CA
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  35 and name CA) 1.47 0.10 0.10 !N35N-CA
assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  37 and name CA) 2.74 0.18 0.18 !G38N-N37CA
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid   8 and name CA) 2.55 0.13 0.13 !G9N-N8CA
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   2 and name CA) 1.44 0.10 0.10 !Q2N-CA
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid   2 and name CA) 2.55 0.11 0.11 !Y3N-Q2CA
assign (segid "GB1D" and resid  32 and name  N)(segid "GB1D" and resid  32 and name CA) 1.42 0.10 0.10 !Q32N-CA
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  11 and name CA) 2.58 0.13 0.13 !L12N-T11CA
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  11 and name CA) 1.45 0.10 0.10 !T11N-CA
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  18 and name CA) 2.64 0.15 0.15 !E19N-T18CA
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid  18 and name CA) 1.43 0.10 0.10 !T18N-CA
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  25 and name CA) 2.73 0.21 0.21 !A26N-T25CA
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  25 and name CA) 1.44 0.10 0.10 !T25N-CA
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  44 and name CA) 1.45 0.10 0.10 !T44N-CA
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  44 and name CA) 2.58 1.58 5.09 !Y45N-T44CA
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  51 and name CA) 2.71 0.16 0.16 !F52N-T51CA
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  51 and name CA) 1.45 0.10 0.10 !T51N-CA
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  53 and name CA) 1.49 0.10 0.10 !T53N-CA
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CA) 2.66 0.16 0.16 !E56N-T55CA
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  55 and name CA) 1.43 0.10 0.10 !T55N-CA
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  29 and name CA) 1.49 0.10 0.10 !V29N-CA
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  39 and name CA) 2.35 0.11 0.11 !D40N-V39CA
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  39 and name CA) 1.43 0.10 0.10 !V39N-CA
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  54 and name CA) 2.66 0.15 0.15 !T55N-V54CA
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid  54 and name CA) 1.45 0.10 0.10 !V54N-CA
assign (segid "GB1D" and resid  20 and name  N)(segid "GB1D" and resid  20 and name CB) 2.46 0.10 0.10 !A20N-CB
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  20 and name CB) 4.43 0.10 0.10 !A26N-A20CB
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid  20 and name CB) 6.16 3.33 3.33 !M1N-A20CB
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  20 and name CB) 3.27 0.10 0.10 !V21N-A20CB
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  23 and name CB) 2.49 0.15 0.15 !A23N-CB
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  23 and name CB) 6.58 2.81 2.81 !K50NZ-A23CB
assign (segid "GB1D" and resid  24 and name  N)(segid "GB1D" and resid  24 and name CB) 2.75 0.23 0.23 !A24N-CB
assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  24 and name CB) 6.94 5.94 7.30 !K28NZ-A24CB
!violates calc4
!assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  24 and name CB) 3.82 0.10 0.10 !T25N-A24CB
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  24 and name CB) 3.82 1.10 1.10 !T25N-A24CB
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  26 and name CB) 6.01 2.10 2.10 !A23N-A26CB
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  26 and name CB) 2.46 0.10 0.10 !A26N-CB
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  26 and name CB) 3.34 0.10 0.10 !E27N-A26CB
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  26 and name CB) 5.74 4.74 6.86 !K28N-A26CB
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  34 and name CB) 2.44 0.10 0.10 !A34N-CB
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  34 and name CB) 5.30 1.79 1.79 !G41N-A34CB
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  34 and name CB) 3.29 0.10 0.10 !N35N-A34CB
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  34 and name CB) 4.46 0.86 0.86 !V39N-A34CB
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  34 and name CB) 5.90 3.20 3.20 !W43NE1-A34CB
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  48 and name CB) 2.50 0.10 0.10 !A48N-CB
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  48 and name CB) 5.36 1.05 1.05 !D47N-A48CB
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  48 and name CB) 6.83 0.86 0.86 !K50NZ-A48CB
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  48 and name CB) 3.39 0.20 0.20 !T49N-A48CB
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  22 and name CB) 2.93 0.10 0.10 !A23N-D22CB
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  22 and name CB) 2.52 0.10 0.10 !D22N-CB
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  36 and name CB) 2.41 0.10 0.10 !D36N-CB
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  36 and name CB) 3.38 0.30 0.30 !N37N-D36CB
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  36 and name CB) 5.05 1.82 1.82 !N37ND2-D36CB
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CB) 2.51 0.10 0.10 !D40N-CB
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  40 and name CB) 3.60 0.17 0.17 !G41N-D40CB
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  46 and name CB) 2.46 0.10 0.10 !D46N-CB
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  47 and name CB) 3.70 0.50 0.50 !A48N-D47CB
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  47 and name CB) 2.46 0.38 0.38 !D47N-CB
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  15 and name CB) 2.95 0.59 0.59 !E15N-CB
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CB) 2.81 0.29 0.29 !T16N-E15CB
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  27 and name CB) 2.42 0.15 0.15 !E27N-CB
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  27 and name CB) 2.99 0.26 0.26 !K28N-E27CB
!violates calc4
!assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  56 and name CB) 2.96 0.10 0.10 !E56N-CB
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  56 and name CB) 2.96 1.10 1.10 !E56N-CB
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  56 and name CB) 4.24 0.20 0.20 !G41N-E56CB
!violates calc4
!assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  56 and name CB) 4.72 0.75 0.75 !G9N-E56CB
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  56 and name CB) 4.72 1.75 1.75 !G9N-E56CB
assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  30 and name CB) 2.47 0.10 0.10 !F30N-CB
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  30 and name CB) 3.06 0.10 0.10 !K31N-F30CB
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  52 and name CB) 2.32 0.10 0.10 !F52N-CB
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CB) 2.61 0.10 0.10 !I6N-CB
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  10 and name CB) 6.40 5.40 7.12 !G9N-K10CB
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CB) 2.44 0.10 0.10 !K10N-CB
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CB) 3.31 0.10 0.10 !T11N-K10CB
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  13 and name CB) 3.37 0.10 0.10 !G14N-K13CB
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CB) 2.45 0.20 0.20 !K13N-CB
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CB) 2.43 0.10 0.10 !K28N-CB
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  28 and name CB) 3.17 0.12 0.12 !V29N-K28CB
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  31 and name CB) 2.62 0.10 0.10 !K31N-CB
assign (segid "GB1D" and resid  32 and name  N)(segid "GB1D" and resid  31 and name CB) 3.12 0.10 0.10 !Q32N-K31CB
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CB) 2.43 0.21 0.21 !K4N-CB
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   4 and name CB) 3.50 0.44 0.44 !L5N-K4CB
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CB) 2.51 0.23 0.23 !K50N-CB
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CB) 4.50 0.80 0.80 !K50NZ-CB
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  50 and name CB) 5.28 1.57 1.57 !T49N-K50CB
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  50 and name CB) 4.24 0.68 0.68 !T51N-K50CB
!intermolecular
!assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid   1 and name CB) 4.94 3.94 6.46 !K31NZ-M1CB
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   1 and name CB) 3.32 0.10 0.10 !Q2N-M1CB
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  35 and name CB) 3.02 0.10 0.10 !D36N-N35CB
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  35 and name CB) 2.47 0.16 0.16 !N35N-CB
!violates calc1
!assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CB) 3.54 0.27 0.27 !N35ND2-CB
assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CB) 3.54 1.27 1.27 !N35ND2-CB
assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  37 and name CB) 3.70 2.70 5.81 !G38N-N37CB
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  37 and name CB) 2.39 0.25 0.25 !N37N-CB
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  37 and name CB) 2.63 1.63 2.70 !N37ND2-CB
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   8 and name CB) 2.21 0.10 0.10 !N8N-CB
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid   8 and name CB) 2.71 0.47 0.47 !N8ND2-CB
!violates calc1
!assign (segid "GB1D" and resid  32 and name NE2)(segid "GB1D" and resid  32 and name CB) 2.43 0.10 0.10 !Q32NE2-CB
assign (segid "GB1D" and resid  32 and name NE2)(segid "GB1D" and resid  32 and name CB) 2.43 1.10 1.10 !Q32NE2-CB
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  11 and name CB) 3.58 2.58 5.51 !L12N-T11CB
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  11 and name CB) 2.54 0.10 0.10 !T11N-CB
assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  17 and name CB) 2.52 0.17 0.17 !T17N-CB
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  18 and name CB) 3.30 0.10 0.10 !E19N-T18CB
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid  18 and name CB) 2.47 1.47 4.87 !T18N-CB
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  25 and name CB) 3.15 0.37 0.37 !A26N-T25CB
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  25 and name CB) 2.50 0.20 0.20 !T25N-CB
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  44 and name CB) 2.47 0.38 0.38 !T44N-CB
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  44 and name CB) 3.22 0.10 0.10 !Y45N-T44CB
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  49 and name CB) 3.81 0.35 0.35 !K50N-T49CB
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  49 and name CB) 2.50 0.28 0.28 !T49N-CB
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  49 and name CB) 5.23 1.16 1.16 !T51N-T49CB
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  51 and name CB) 4.89 1.00 1.00 !D46N-T51CB
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  51 and name CB) 3.68 0.10 0.10 !F52N-T51CB
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  51 and name CB) 5.16 1.74 1.74 !K50N-T51CB
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  51 and name CB) 2.50 0.11 0.11 !T51N-CB
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CB) 3.67 0.10 0.10 !E56N-T55CB
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid  55 and name CB) 5.28 4.28 6.62 !N8N-T55CB
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid  55 and name CB) 5.28 2.29 2.29 !N8ND2-T55CB
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  55 and name CB) 2.50 0.10 0.10 !T55N-CB
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  43 and name CB) 2.81 0.10 0.10 !T44N-W43CB
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  33 and name CB) 3.44 0.64 0.64 !A34N-Y33CB
assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  33 and name CB) 3.82 0.28 0.28 !F30N-Y33CB
assign (segid "GB1D" and resid  33 and name  N)(segid "GB1D" and resid  33 and name CB) 2.47 0.34 0.34 !Y33N-CB
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  45 and name CB) 2.35 0.10 0.10 !Y45N-CB
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.67 0.16 0.16 !E15N-I6CD1
!violates calc1
!assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   6 and name CD1) 6.34 0.15 0.15 !G14N-I6CD1
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   6 and name CD1) 6.34 1.15 1.15 !G14N-I6CD1
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid   6 and name CD1) 4.60 0.15 0.15 !K4NZ-I6CD1
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.74 0.16 0.16 !T16N-I6CD1
!violates calc2
!assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   6 and name CD1) 6.79 0.17 0.17 !V54N-I6CD1
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   6 and name CD1) 6.79 1.17 1.17 !V54N-I6CD1
!violates cacl5
!assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.43 0.14 0.14 !F52N-I6CD1
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.43 1.14 1.14 !F52N-I6CD1
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CD1) 3.39 0.10 0.10 !I6N-CD1
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   6 and name CD1) 4.74 3.74 6.54 !L7N-I6CD1
!violates calc1
!assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.10 0.10 0.10 !T53N-I6CD1
!violates calc 6 removed
!assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.10 1.10 1.10 !T53N-I6CD1
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  10 and name CD) 5.71 1.51 1.51 !E56N-K10CD
!violates calc1
!assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CD) 2.72 0.21 0.21 !K10NZ-CD
assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CD) 2.72 1.21 1.21 !K10NZ-CD
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CD) 5.58 1.45 1.45 !T11N-K10CD
!violates calc4
!assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CD) 4.35 0.10 0.10 !K13N-CD
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CD) 4.35 1.10 1.10 !K13N-CD
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CD) 2.66 0.33 0.33 !K13NZ-CD
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CD) 4.32 0.29 0.29 !K28N-CD
assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  28 and name CD) 2.88 0.10 0.10 !K28NZ-CD
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  28 and name CD) 6.84 2.84 2.84 !V29N-K28CD
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  31 and name CD) 2.52 0.15 0.15 !K31NZ-CD
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CD) 4.87 0.10 0.10 !K4N-CD
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid   4 and name CD) 2.95 1.95 5.26 !K4NZ-CD
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   4 and name CD) 5.11 0.10 0.10 !L5N-K4CD
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CD) 3.32 0.10 0.10 !K50N-CD
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CD) 2.26 0.13 0.13 !K50NZ-CD
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  50 and name CD) 6.06 5.06 6.80 !T49N-K50CD
assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  12 and name CD1) 4.31 0.10 0.10 !G38N-L12CD1
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  12 and name CD1) 3.06 0.10 0.10 !N37ND2-L12CD1
!intermoleduclar
!assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  12 and name CD2) 3.98 0.47 0.47 !D46N-L12CD2
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  12 and name CD2) 5.65 1.47 1.47 !G9N-L12CD2
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  12 and name CD2) 3.99 0.10 0.10 !L12N-CD2
!intermoleduclar
!assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  12 and name CD2) 1.00 0.00 0.10 !T44N-L12CD2
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  12 and name CD2) 5.17 0.83 0.83 !G14N-L12CD2
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  12 and name CD2) 3.44 0.43 0.43 !K13N-L12CD2
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  12 and name CD2) 5.68 1.54 1.54 !N37ND2-L12CD2
!intermoleduclar
!assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  12 and name CD2) 4.31 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid   5 and name CD2) 4.87 0.10 0.10 !F52N-L5CD2
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   5 and name CD2) 3.29 0.10 0.10 !I6N-L5CD2
!violates calc4
!assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   5 and name CD2) 5.36 0.10 0.10 !T16N-L5CD2
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   5 and name CD2) 5.36 1.10 1.10 !T16N-L5CD2
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   5 and name CD2) 3.92 2.92 5.64 !T53N-L5CD2
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   5 and name CD2) 3.77 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   7 and name CD1) 3.98 0.10 0.10 !E15N-L7CD1
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   7 and name CD1) 3.98 1.10 1.10 !E15N-L7CD1
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CD1) 3.28 0.10 0.10 !L7N-CD1
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   7 and name CD1) 4.79 3.79 4.73 !N8N-L7CD1
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   7 and name CD1) 4.06 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   7 and name CD2) 4.76 0.10 0.10 !E15N-L7CD2
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   7 and name CD2) 4.76 1.10 1.10 !E15N-L7CD2
!violates calc4
!assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   7 and name CD2) 5.08 0.14 0.14 !G14N-L7CD2
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   7 and name CD2) 5.08 1.14 1.14 !G14N-L7CD2
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid   7 and name CD2) 5.09 4.09 6.54 !G9N-L7CD2
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid   7 and name CD2) 4.79 0.16 0.16 !K13N-L7CD2
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid   7 and name CD2) 6.73 0.16 0.16 !K13NZ-L7CD2
!violates calc4
!assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CD2) 3.50 0.10 0.10 !L7N-CD2
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CD2) 3.50 1.10 1.10 !L7N-CD2
!violates calc4
!assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   7 and name CD2) 4.61 0.10 0.10 !N8N-L7CD2
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   7 and name CD2) 4.61 1.10 1.10 !N8N-L7CD2
!violates calc4
!assign (segid "GB1D" and resid   2 and name NE2)(segid "GB1D" and resid   2 and name CD) 1.82 0.10 0.10 !Q2NE2-CD
assign (segid "GB1D" and resid   2 and name NE2)(segid "GB1D" and resid   2 and name CD) 1.82 0.82 1.10 !Q2NE2-CD
assign (segid "GB1D" and resid  32 and name NE2)(segid "GB1D" and resid  32 and name CD) 1.70 0.10 0.10 !Q32NE2-CD
!violates calc4
!assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CE) 1.92 0.10 0.10 !K10NZ-CE
assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CE) 1.92 0.92 1.10 !K10NZ-CE
!violates calc1
!assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CE) 2.26 0.10 0.10 !K13NZ-CE
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CE) 2.26 1.10 1.10 !K13NZ-CE
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CE) 5.45 1.95 1.95 !K28N-CE
assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  28 and name CE) 1.88 0.10 0.10 !K28NZ-CE
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  31 and name CE) 1.61 0.10 0.10 !K31NZ-CE
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CE) 1.59 0.10 0.10 !K50NZ-CE
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid   1 and name CE) 4.20 1.04 1.04 !A23N-M1CE
!intermoleduclar
!assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid   1 and name CE) 4.49 0.50 0.50 !K28NZ-M1CE
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid   1 and name CE) 3.83 0.10 0.10 !K50NZ-M1CE
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid   1 and name CE) 5.00 0.10 0.10 !V21N-M1CE
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid   1 and name CE) 5.35 0.84 0.84 !D22N-M1CE
!intermoleduclar
!assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid   1 and name CE) 4.73 0.58 0.58 !K31N-M1CE
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid   1 and name CE) 3.77 0.60 0.60 !M1N-CE
!intermoleduclar
!assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid   1 and name CE) 4.74 2.15 2.15 !V29N-M1CE
!intermoleduclar
!assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid   1 and name CE) 3.54 0.49 0.49 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid   1 and name CE) 3.63 0.57 0.57 !K31NZ-M1CE
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   1 and name CE) 4.20 1.04 1.04 !Q2N-M1CE
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid   1 and name CE) 5.42 1.45 1.45 !Y3N-M1CE
!violates calc1
!assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CG) 2.82 0.10 0.10 !D40N-CG
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CG) 2.82 1.10 1.10 !D40N-CG
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  40 and name CG) 3.57 0.10 0.10 !G41N-D40CG
!violates calc1
!assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CG) 3.22 0.11 0.11 !T16N-E15CG
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CG) 3.22 1.11 1.11 !T16N-E15CG
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  15 and name CG) 2.77 0.10 0.10 !E15N-CG
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  27 and name CG) 5.36 0.10 0.10 !A26N-E27CG
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  27 and name CG) 3.28 0.11 0.11 !K28N-E27CG
!violates calc4
!assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  27 and name CG) 3.67 0.10 0.10 !K31NZ-E27CG
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  27 and name CG) 3.67 1.10 1.10 !K31NZ-E27CG
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  27 and name CG) 3.30 0.10 0.10 !E27N-CG
!violates calc1
!assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  27 and name CG) 4.19 0.10 0.10 !K31N-E27CG
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  27 and name CG) 4.19 1.10 1.10 !K31N-E27CG
!intermoleduclar
!assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid  27 and name CG) 4.23 3.23 5.29 !M1N-E27CG
assign (segid "GB1D" and resid  42 and name  N)(segid "GB1D" and resid  42 and name CG) 2.56 0.12 0.12 !E42N-CG
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  56 and name CG) 2.50 0.10 0.10 !E56N-CG
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CG1) 2.76 0.10 0.10 !I6N-CG1
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   6 and name CG1) 4.35 0.27 0.27 !L7N-I6CG1
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   6 and name CG1) 5.40 1.12 1.12 !T53N-I6CG1
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   6 and name CG2) 5.57 1.65 1.65 !E15N-I6CG2
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid   6 and name CG2) 6.40 5.40 6.76 !G9N-I6CG2
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   6 and name CG2) 3.04 0.10 0.10 !L7N-I6CG2
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   6 and name CG2) 5.64 1.93 1.93 !T16N-I6CG2
!violates calc4
!assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid   6 and name CG2) 5.56 1.28 1.28 !F52N-I6CG2
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid   6 and name CG2) 5.56 2.28 2.28 !F52N-I6CG2
!violates calc4
!assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CG2) 3.30 0.10 0.10 !I6N-CG2
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CG2) 3.30 1.10 1.10 !I6N-CG2
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   6 and name CG2) 4.67 0.24 0.24 !N8N-I6CG2
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   6 and name CG2) 5.81 4.81 6.83 !T53N-I6CG2
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   6 and name CG2) 5.46 1.46 1.46 !G14N-I6CG2
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid   6 and name CG2) 7.30 5.73 5.73 !K4NZ-I6CG2
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid   6 and name CG2) 5.57 1.65 1.65 !N8ND2-I6CG2
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CG) 2.87 0.10 0.10 !K10N-CG
assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CG) 3.89 0.10 0.10 !K10NZ-CG
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CG) 4.25 0.20 0.20 !T11N-K10CG
!violates calc1
!assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  13 and name CG) 3.41 0.10 0.10 !G14N-K13CG
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  13 and name CG) 3.41 1.10 1.10 !G14N-K13CG
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  13 and name CG) 4.27 0.10 0.10 !G9N-K13CG
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CG) 3.06 0.10 0.10 !K13N-CG
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CG) 4.10 3.10 6.02 !K13NZ-CG
!intermoleduclar
!assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  13 and name CG) 4.23 0.10 0.10 !Y45N-K13CG
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CG) 2.67 0.22 0.22 !K28N-CG
!violates calc4
!assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  31 and name CG) 2.43 0.16 0.16 !K31N-CG
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  31 and name CG) 2.43 1.16 1.16 !K31N-CG
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CG) 3.94 0.10 0.10 !K4N-CG
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   4 and name CG) 3.43 0.10 0.10 !L5N-K4CG
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   4 and name CG) 4.42 0.28 0.28 !T16N-K4CG
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid   4 and name CG) 5.30 2.33 2.33 !T51N-K4CG
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CG) 2.70 0.29 0.29 !K50N-CG
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CG) 3.74 0.27 0.27 !K50NZ-CG
!violates calc4
!assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  12 and name CG) 3.08 0.10 0.10 !K13N-L12CG
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  12 and name CG) 3.08 1.10 1.10 !K13N-L12CG
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid   1 and name CG) 3.61 0.50 0.50 !M1N-CG
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   1 and name CG) 3.01 0.10 0.10 !Q2N-M1CG
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid   1 and name CG) 5.88 4.88 6.46 !V21N-M1CG
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid   1 and name CG) 4.82 1.41 1.41 !Y3N-M1CG
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  35 and name CG) 3.53 0.10 0.10 !N35N-CG
!violates calc4
!assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CG) 1.87 0.10 0.10 !N35ND2-CG
assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CG) 1.87 0.87 1.10 !N35ND2-CG
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  37 and name CG) 1.42 0.10 0.10 !N37ND2-CG
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid   8 and name CG) 1.41 0.10 0.10 !N8ND2-CG
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   2 and name CG) 3.12 0.10 0.10 !Q2N-CG
assign (segid "GB1D" and resid   2 and name NE2)(segid "GB1D" and resid   2 and name CG) 2.78 0.10 0.10 !Q2NE2-CG
assign (segid "GB1D" and resid  32 and name NE2)(segid "GB1D" and resid  32 and name CG) 2.59 0.12 0.12 !Q32NE2-CG
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  11 and name CG2) 4.38 0.40 0.40 !L12N-T11CG2
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  11 and name CG2) 2.80 0.12 0.12 !T11N-CG2
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid  16 and name CG2) 4.83 0.98 0.98 !L5N-T16CG2
!violates calc1
!assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  16 and name CG2) 2.63 0.37 0.37 !T16N-CG2
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  16 and name CG2) 2.63 1.37 1.37 !T16N-CG2
!violates calc1
!assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  17 and name CG2) 2.56 0.21 0.21 !T17N-CG2
assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  17 and name CG2) 2.56 1.21 1.21 !T17N-CG2
!violates calc4
!assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  18 and name CG2) 3.07 0.10 0.10 !E19N-T18CG2
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  18 and name CG2) 3.07 1.10 1.10 !E19N-T18CG2
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid  18 and name CG2) 2.81 0.10 0.10 !T18N-CG2
!violates calc4
!assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  25 and name CG2) 2.72 0.10 0.10 !T25N-CG2
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  25 and name CG2) 2.72 1.10 1.10 !T25N-CG2
!intermoleduclar
!assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  44 and name CG2) 3.44 0.10 0.10 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  44 and name CG2) 4.85 0.86 0.86 !G14N-T44CG2
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  44 and name CG2) 2.71 0.11 0.11 !T44N-CG2
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  49 and name CG2) 5.16 0.88 0.88 !K50N-T49CG2
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  49 and name CG2) 2.88 0.25 0.25 !T49N-CG2
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  49 and name CG2) 5.12 0.90 0.90 !T51N-T49CG2
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  51 and name CG2) 3.18 0.15 0.15 !F52N-T51CG2
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid  51 and name CG2) 5.15 0.40 0.40 !K4N-T51CG2
!violates calc4
!assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  51 and name CG2) 3.23 0.10 0.10 !T51N-CG2
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  51 and name CG2) 3.23 1.10 1.10 !T51N-CG2
!violates calc1
!assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid  53 and name CG2) 3.54 0.10 0.10 !I6N-T53CG2
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid  53 and name CG2) 3.54 1.10 1.10 !I6N-T53CG2
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  53 and name CG2) 2.97 0.10 0.10 !T53N-CG2
!violates calc4
!assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CG2) 2.89 0.52 0.52 !E56N-T55CG2
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CG2) 2.89 1.52 1.52 !E56N-T55CG2
!violates calc4
!assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid  55 and name CG2) 3.80 0.10 0.10 !N8ND2-T55CG2
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid  55 and name CG2) 3.80 1.10 1.10 !N8ND2-T55CG2
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  55 and name CG2) 2.90 0.24 0.24 !T55N-CG2
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  21 and name CG1) 2.93 0.16 0.16 !D22N-V21CG1
!violates calc1
!assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  21 and name CG1) 2.61 0.19 0.19 !V21N-CG1
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  21 and name CG1) 2.61 1.19 1.19 !V21N-CG1
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  21 and name CG2) 3.02 0.29 0.29 !D22N-V21CG2
!violates calc2
!assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  21 and name CG2) 2.81 0.32 0.32 !V21N-CG2
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  21 and name CG2) 2.81 1.32 1.32 !V21N-CG2
!violates calc4
!assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  29 and name CG1) 2.81 0.10 0.10 !F30N-V29CG1
assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  29 and name CG1) 2.81 1.10 1.10 !F30N-V29CG1
!violates calc1
!assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  29 and name CG1) 4.67 0.74 0.74 !K28N-V29CG1
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  29 and name CG1) 4.67 1.74 1.74 !K28N-V29CG1
!violates calc2
!assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  29 and name CG1) 2.96 0.10 0.10 !V29N-CG1
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  29 and name CG1) 2.96 1.10 1.10 !V29N-CG1
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  29 and name CG2) 5.39 2.05 2.05 !E27N-V29CG2
assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  29 and name CG2) 4.29 0.26 0.26 !F30N-V29CG2
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  29 and name CG2) 5.28 1.86 1.86 !K28N-V29CG2
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  29 and name CG2) 2.69 0.10 0.10 !V29N-CG2
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  39 and name CG1) 3.26 2.26 5.48 !D40N-V39CG1
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  39 and name CG1) 4.85 0.38 0.38 !G9N-V39CG1
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  39 and name CG1) 6.09 0.39 0.39 !L12N-V39CG1
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  39 and name CG1) 6.80 0.38 0.38 !T11N-V39CG1
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  39 and name CG1) 2.81 0.10 0.10 !V39N-CG1
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  39 and name CG1) 5.64 0.39 0.39 !N37N-V39CG1
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  54 and name CG1) 6.13 2.85 2.85 !G41N-V54CG1
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  54 and name CG1) 5.76 1.03 1.03 !G9N-V54CG1
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid  54 and name CG1) 5.89 2.02 2.02 !I6N-V54CG1
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid  54 and name CG1) 4.87 0.70 0.70 !L7N-V54CG1
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  54 and name CG1) 6.13 2.44 2.44 !T53N-V54CG1
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  54 and name CG1) 4.15 0.10 0.10 !T55N-V54CG1
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid  54 and name CG1) 3.04 0.12 0.12 !V54N-CG1
!violates calc1
!assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  54 and name CG1) 4.64 0.51 0.51 !W43N-V54CG1
!violates again cacl5
!assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  54 and name CG1) 4.64 1.51 1.51 !W43N-V54CG1
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  54 and name CG1) 5.00 0.85 0.85 !W43NE1-V54CG1
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  54 and name CG1) 6.17 5.17 6.99 !A34N-V54CG1
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  54 and name CG1) 6.13 2.85 2.85 !E56N-V54CG1
assign (segid "GB1D" and resid  32 and name  N)(segid "GB1D" and resid  54 and name CG1) 6.30 5.30 6.72 !Q32N-V54CG1
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  54 and name CG2) 3.05 0.10 0.10 !G41N-V54CG2
!violates calc1
!assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid  54 and name CG2) 3.09 0.10 0.10 !V54N-CG2
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid  54 and name CG2) 3.09 1.10 1.10 !V54N-CG2
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  54 and name CG2) 3.21 0.10 0.10 !W43NE1-V54CG2
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  54 and name CG2) 2.92 1.92 5.23 !T55N-V54CG2
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  54 and name CG2) 4.94 0.10 0.10 !W43N-V54CG2
assign (segid "GB1D" and resid  20 and name  N)(segid "GB1D" and resid  20 and name CA) 1.44 0.10 0.10 !A20N-CA
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  20 and name CA) 4.68 2.37 2.37 !D22N-A20CA
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid  20 and name CA) 5.20 4.20 6.53 !M1N-A20CA
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  20 and name CA) 2.70 0.10 0.10 !V21N-A20CA
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  23 and name CA) 1.44 0.10 0.10 !A23N-CA
assign (segid "GB1D" and resid  24 and name  N)(segid "GB1D" and resid  24 and name CA) 1.53 0.10 0.10 !A24N-CA
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  24 and name CA) 2.80 0.10 0.10 !T25N-A24CA
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  26 and name CA) 1.45 0.10 0.10 !A26N-CA
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  26 and name CA) 2.51 0.16 0.16 !E27N-A26CA
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  26 and name CA) 4.24 1.13 1.13 !T25N-A26CA
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  34 and name CA) 1.46 0.10 0.10 !A34N-CA
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  34 and name CA) 2.50 0.12 0.12 !N35N-A34CA
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  48 and name CA) 1.46 0.10 0.10 !A48N-CA
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  48 and name CA) 4.22 1.45 1.45 !D47N-A48CA
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  48 and name CA) 2.49 0.10 0.10 !T49N-A48CA
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  22 and name CA) 2.50 0.16 0.16 !A23N-D22CA
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  22 and name CA) 1.44 0.10 0.10 !D22N-CA
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  22 and name CA) 3.82 0.89 0.89 !V21N-D22CA
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  36 and name CA) 1.44 0.10 0.10 !D36N-CA
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  36 and name CA) 2.51 0.18 0.18 !N37N-D36CA
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CA) 1.48 0.10 0.10 !D40N-CA
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  40 and name CA) 2.59 0.10 0.10 !G41N-D40CA
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  46 and name CA) 4.20 0.98 0.98 !A48N-D46CA
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  46 and name CA) 1.45 0.10 0.10 !D46N-CA
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  46 and name CA) 2.61 0.10 0.10 !D47N-D46CA
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  47 and name CA) 2.82 0.41 0.41 !A48N-D47CA
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  47 and name CA) 1.41 0.10 0.10 !D47N-CA
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  47 and name CA) 5.95 4.95 5.76 !T49N-D47CA
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  15 and name CA) 1.44 0.10 0.10 !E15N-CA
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CA) 2.70 0.20 0.20 !T16N-E15CA
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  19 and name CA) 1.53 0.10 0.10 !E19N-CA
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  27 and name CA) 1.44 0.10 0.10 !E27N-CA
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  27 and name CA) 2.49 0.10 0.10 !K28N-E27CA
assign (segid "GB1D" and resid  42 and name  N)(segid "GB1D" and resid  42 and name CA) 1.06 0.06 0.10 !E42N-CA
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  56 and name CA) 1.44 0.28 0.28 !E56N-CA
assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  30 and name CA) 1.45 0.10 0.10 !F30N-CA
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  30 and name CA) 2.56 0.10 0.10 !K31N-F30CA
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  52 and name CA) 1.43 0.10 0.10 !F52N-CA
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  52 and name CA) 2.64 0.16 0.16 !T53N-F52CA
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  14 and name CA) 1.43 0.10 0.10 !G14N-CA
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  14 and name CA) 2.62 0.14 0.14 !E15N-G14CA
assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  38 and name CA) 1.43 0.10 0.10 !G38N-CA
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  38 and name CA) 4.36 1.53 1.53 !N37N-G38CA
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  38 and name CA) 2.60 0.10 0.10 !V39N-G38CA
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  41 and name CA) 1.47 0.10 0.10 !G41N-CA
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  41 and name CA) 4.34 1.10 1.10 !D40N-G41CA
assign (segid "GB1D" and resid  42 and name  N)(segid "GB1D" and resid  41 and name CA) 2.63 0.10 0.10 !E42N-G41CA
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid   9 and name CA) 1.44 0.10 0.10 !G9N-CA
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid   9 and name CA) 5.64 4.64 5.18 !K13N-G9CA
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   9 and name CA) 4.91 2.64 2.64 !N8N-G9CA
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid   9 and name CA) 2.58 0.17 0.17 !K10N-G9CA
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid   9 and name CA) 4.65 2.55 2.55 !L12N-G9CA
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CA) 1.45 0.10 0.10 !K10N-CA
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CA) 2.53 0.11 0.11 !T11N-K10CA
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  13 and name CA) 2.58 0.14 0.14 !G14N-K13CA
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CA) 1.44 0.10 0.10 !K13N-CA
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CA) 1.44 0.10 0.10 !K28N-CA
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  28 and name CA) 2.39 0.10 0.10 !V29N-K28CA
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  31 and name CA) 1.45 0.10 0.10 !K31N-CA
assign (segid "GB1D" and resid  32 and name  N)(segid "GB1D" and resid  31 and name CA) 2.53 0.12 0.12 !Q32N-K31CA
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CA) 1.44 0.10 0.10 !K4N-CA
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   4 and name CA) 2.54 0.10 0.10 !L5N-K4CA
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CA) 1.44 0.10 0.10 !K50N-CA
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  50 and name CA) 4.95 1.30 1.30 !T49N-K50CA
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  35 and name CA) 2.60 0.10 0.10 !D36N-N35CA
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  35 and name CA) 1.41 0.10 0.10 !N35N-CA
assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  37 and name CA) 2.59 0.21 0.21 !G38N-N37CA
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  37 and name CA) 4.29 1.20 1.20 !N37ND2-CA
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid   8 and name CA) 2.46 0.17 0.17 !G9N-N8CA
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid   8 and name CA) 4.05 0.90 0.90 !N8ND2-CA
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid   2 and name CA) 2.33 0.10 0.10 !Y3N-Q2CA
assign (segid "GB1D" and resid  32 and name  N)(segid "GB1D" and resid  32 and name CA) 1.47 0.10 0.10 !Q32N-CA
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  11 and name CA) 2.56 0.10 0.10 !L12N-T11CA
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  11 and name CA) 1.43 0.43 0.63 !T11N-CA
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  16 and name CA) 1.38 0.10 0.10 !T16N-CA
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  18 and name CA) 2.58 0.15 0.15 !E19N-T18CA
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid  18 and name CA) 1.44 0.10 0.10 !T18N-CA
assign (segid "GB1D" and resid  24 and name  N)(segid "GB1D" and resid  25 and name CA) 4.68 1.60 1.60 !A24N-T25CA
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  25 and name CA) 2.53 0.15 0.15 !A26N-T25CA
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  25 and name CA) 1.49 0.10 0.10 !T25N-CA
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  44 and name CA) 1.43 0.10 0.10 !T44N-CA
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  44 and name CA) 2.59 0.10 0.10 !Y45N-T44CA
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  49 and name CA) 1.44 0.10 0.10 !T49N-CA
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  51 and name CA) 2.59 0.15 0.15 !F52N-T51CA
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  51 and name CA) 4.63 3.27 3.27 !K50N-T51CA
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  51 and name CA) 1.43 0.10 0.10 !T51N-CA
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  53 and name CA) 1.43 0.10 0.10 !T53N-CA
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid  53 and name CA) 2.82 0.10 0.10 !V54N-T53CA
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CA) 2.61 0.18 0.18 !E56N-T55CA
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  55 and name CA) 1.46 0.10 0.10 !T55N-CA
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  43 and name CA) 1.43 0.10 0.10 !W43N-CA
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  33 and name CA) 2.39 0.15 0.15 !A34N-Y33CA
assign (segid "GB1D" and resid  33 and name  N)(segid "GB1D" and resid  33 and name CA) 1.44 0.10 0.10 !Y33N-CA
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   3 and name CA) 2.57 0.19 0.19 !K4N-Y3CA
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   3 and name CA) 4.13 1.02 1.02 !Q2N-Y3CA
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid   3 and name CA) 5.03 4.03 5.10 !T18N-Y3CA
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid   3 and name CA) 1.44 0.10 0.10 !Y3N-CA
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  45 and name CA) 2.56 0.14 0.14 !D46N-Y45CA
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  45 and name CA) 5.95 4.95 6.15 !D47N-Y45CA
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  45 and name CA) 1.44 0.10 0.10 !Y45N-CA
assign (segid "GB1D" and resid  20 and name  N)(segid "GB1D" and resid  20 and name CB) 2.41 0.20 0.20 !A20N-CB
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  20 and name CB) 4.08 0.45 0.45 !A26N-A20CB
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  20 and name CB) 3.92 0.10 0.10 !D22N-A20CB
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  20 and name CB) 3.25 0.10 0.10 !V21N-A20CB
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  23 and name CB) 2.34 0.10 0.10 !A23N-CB
assign (segid "GB1D" and resid  24 and name  N)(segid "GB1D" and resid  24 and name CB) 2.35 0.10 0.10 !A24N-CB
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  24 and name CB) 3.39 0.10 0.10 !T25N-A24CB
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  26 and name CB) 2.42 0.13 0.13 !A26N-CB
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  26 and name CB) 3.36 0.31 0.31 !E27N-A26CB
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  26 and name CB) 5.28 0.98 0.98 !K28N-A26CB
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  34 and name CB) 2.42 0.10 0.10 !A34N-CB
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  34 and name CB) 3.32 0.10 0.10 !N35N-A34CB
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  48 and name CB) 2.45 0.10 0.10 !A48N-CB
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  48 and name CB) 3.38 0.10 0.10 !T49N-A48CB
assign (segid "GB1D" and resid  23 and name  N)(segid "GB1D" and resid  22 and name CB) 3.21 0.10 0.10 !A23N-D22CB
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  22 and name CB) 2.44 0.13 0.13 !D22N-CB
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  36 and name CB) 2.44 0.10 0.10 !D36N-CB
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  36 and name CB) 3.46 0.10 0.10 !N37N-D36CB
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CB) 2.46 0.18 0.18 !D40N-CB
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  40 and name CB) 3.64 0.46 0.46 !G41N-D40CB
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  46 and name CB) 2.48 0.22 0.22 !D46N-CB
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  46 and name CB) 3.90 0.10 0.10 !D47N-D46CB
!violates calc1
!assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  47 and name CB) 4.32 0.18 0.18 !A48N-D47CB
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  47 and name CB) 4.32 1.18 1.18 !A48N-D47CB
!violates calc4
!assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  47 and name CB) 3.00 0.17 0.17 !D47N-CB
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  47 and name CB) 3.00 1.17 1.17 !D47N-CB
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  15 and name CB) 2.50 0.18 0.18 !E15N-CB
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  27 and name CB) 2.42 0.11 0.11 !E27N-CB
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  27 and name CB) 3.20 0.10 0.10 !K28N-E27CB
assign (segid "GB1D" and resid  42 and name  N)(segid "GB1D" and resid  42 and name CB) 2.51 0.14 0.14 !E42N-CB
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  42 and name CB) 3.41 0.29 0.29 !W43N-E42CB
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  56 and name CB) 2.45 0.10 0.10 !E56N-CB
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CB) 2.50 0.32 0.32 !I6N-CB
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   6 and name CB) 3.50 0.10 0.10 !L7N-I6CB
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   6 and name CB) 5.72 0.10 0.10 !V54N-I6CB
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CB) 2.38 0.10 0.10 !K10N-CB
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CB) 3.37 0.10 0.10 !T11N-K10CB
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  13 and name CB) 3.21 0.31 0.31 !G14N-K13CB
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CB) 2.41 0.36 0.36 !K13N-CB
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CB) 2.41 0.10 0.10 !K28N-CB
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  28 and name CB) 3.15 0.14 0.14 !V29N-K28CB
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  31 and name CB) 2.35 0.10 0.10 !K31N-CB
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CB) 2.42 0.10 0.10 !K4N-CB
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   4 and name CB) 3.34 0.12 0.12 !L5N-K4CB
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CB) 2.43 0.10 0.10 !K50N-CB
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CB) 4.66 0.53 0.53 !K50NZ-CB
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  50 and name CB) 4.15 1.07 1.07 !T51N-K50CB
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  12 and name CB) 2.38 0.10 0.10 !L12N-CB
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   7 and name CB) 4.01 1.04 1.04 !G14N-L7CB
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CB) 2.45 0.34 0.34 !L7N-CB
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   7 and name CB) 3.67 0.20 0.20 !N8N-L7CB
!intermoleduclar
!assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid   1 and name CB) 4.87 1.08 1.08 !K31NZ-M1CB
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   1 and name CB) 3.34 0.23 0.23 !Q2N-M1CB
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  35 and name CB) 3.15 0.13 0.13 !D36N-N35CB
assign (segid "GB1D" and resid  35 and name  N)(segid "GB1D" and resid  35 and name CB) 2.42 0.10 0.10 !N35N-CB
!violates calc1
!assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CB) 3.74 0.10 0.10 !N35ND2-CB
assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CB) 3.74 1.10 1.10 !N35ND2-CB
!violates calc5
!assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  37 and name CB) 3.88 0.10 0.10 !G38N-N37CB
assign (segid "GB1D" and resid  38 and name  N)(segid "GB1D" and resid  37 and name CB) 3.88 1.10 1.10 !G38N-N37CB
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  37 and name CB) 2.27 0.10 0.10 !N37N-CB
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  37 and name CB) 2.58 0.11 0.11 !N37ND2-CB
assign (segid "GB1D" and resid  32 and name  N)(segid "GB1D" and resid  32 and name CB) 2.24 0.12 0.12 !Q32N-CB
assign (segid "GB1D" and resid  32 and name NE2)(segid "GB1D" and resid  32 and name CB) 3.91 0.37 0.37 !Q32NE2-CB
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  11 and name CB) 3.58 0.10 0.10 !L12N-T11CB
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  11 and name CB) 2.50 0.10 0.10 !T11N-CB
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  16 and name CB) 2.43 0.13 0.13 !T16N-CB
assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  16 and name CB) 3.24 0.10 0.10 !T17N-T16CB
assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  17 and name CB) 2.15 0.56 0.56 !T17N-CB
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  18 and name CB) 3.26 0.10 0.10 !E19N-T18CB
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid  18 and name CB) 2.46 0.10 0.10 !T18N-CB
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  25 and name CB) 3.48 0.43 0.43 !A26N-T25CB
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  25 and name CB) 2.44 0.15 0.15 !T25N-CB
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  44 and name CB) 2.45 0.10 0.10 !T44N-CB
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  44 and name CB) 4.79 0.59 0.59 !T53N-T44CB
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  44 and name CB) 3.31 0.10 0.10 !Y45N-T44CB
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  49 and name CB) 3.84 0.10 0.10 !K50N-T49CB
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  49 and name CB) 2.45 0.10 0.10 !T49N-CB
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  49 and name CB) 4.81 0.56 0.56 !T51N-T49CB
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  51 and name CB) 5.28 3.00 3.00 !D46N-T51CB
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  51 and name CB) 3.63 0.27 0.27 !F52N-T51CB
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  51 and name CB) 5.51 0.79 0.79 !K50N-T51CB
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  51 and name CB) 5.95 1.79 1.79 !T49N-T51CB
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  51 and name CB) 2.47 0.10 0.10 !T51N-CB
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CB) 3.66 0.10 0.10 !E56N-T55CB
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  55 and name CB) 2.48 0.15 0.15 !T55N-CB
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  21 and name CB) 2.43 0.10 0.10 !V21N-CB
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  15 and name CD) 3.71 0.10 0.10 !E15N-CD
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid  15 and name CD) 5.76 0.10 0.10 !I6N-E15CD
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid  15 and name CD) 5.62 0.10 0.10 !L7N-E15CD
!intermoleduclar
!assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  15 and name CD) 4.63 0.10 0.10 !W43N-E15CD
!intermoleduclar
!assign (segid "GB1D" and resid  42 and name  N)(segid "GB1D" and resid  15 and name CD) 4.03 0.10 0.10 !E42N-E15CD
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid  15 and name CD) 3.71 0.10 0.10 !K4NZ-E15CD
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CD) 4.24 3.24 6.87 !T16N-E15CD
!violates calc1
!assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  19 and name CD) 3.60 0.10 0.10 !E19N-CD
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  19 and name CD) 3.60 1.10 1.10 !E19N-CD
!intermoleduclar
!assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  19 and name CD) 6.40 5.40 7.08 !K13NZ-E19CD
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid  19 and name CD) 4.14 0.24 0.24 !M1N-E19CD
assign (segid "GB1D" and resid   2 and name NE2)(segid "GB1D" and resid  19 and name CD) 5.53 0.25 0.25 !Q2NE2-E19CD
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid  19 and name CD) 6.86 0.35 0.35 !T18N-E19CD
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid  19 and name CD) 7.08 0.35 0.35 !Y3N-E19CD
assign (segid "GB1D" and resid  26 and name  N)(segid "GB1D" and resid  27 and name CD) 6.21 0.10 0.10 !A26N-E27CD
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  27 and name CD) 4.94 0.10 0.10 !E27N-CD
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  27 and name CD) 4.25 0.10 0.10 !K28N-E27CD
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  27 and name CD) 4.00 0.10 0.10 !K31NZ-E27CD
!intermoleduclar
!assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid  27 and name CD) 3.45 2.45 6.61 !M1N-E27CD
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  56 and name CD) 3.42 0.20 0.20 !D40N-E56CD
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  56 and name CD) 4.89 1.06 1.06 !G9N-E56CD
assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  56 and name CD) 5.69 4.69 6.56 !K10NZ-E56CD
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  56 and name CD) 5.45 0.99 0.99 !T11N-E56CD
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  56 and name CD) 4.83 0.74 0.74 !V39N-E56CD
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  56 and name CD) 4.50 0.30 0.30 !G41N-E56CD
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  56 and name CD) 3.60 0.13 0.13 !K10N-E56CD
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  56 and name CD) 7.18 6.18 6.68 !K13NZ-E56CD
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  56 and name CD) 6.50 2.64 2.64 !T55N-E56CD
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.91 1.03 1.03 !E15N-I6CD1
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CD1) 3.62 0.33 0.33 !I6N-CD1
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   6 and name CD1) 4.55 3.55 6.27 !L7N-I6CD1
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.35 3.54 3.54 !T53N-I6CD1
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.65 0.64 0.64 !F52N-I6CD1
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   6 and name CD1) 6.89 1.83 1.83 !K4N-I6CD1
assign (segid "GB1D" and resid   8 and name  N)(segid "GB1D" and resid   6 and name CD1) 7.30 3.14 3.14 !N8N-I6CD1
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   6 and name CD1) 6.82 1.69 1.69 !V54N-I6CD1
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid   6 and name CD1) 7.30 1.98 1.98 !G14N-I6CD1
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid   6 and name CD1) 5.05 0.44 0.44 !K4NZ-I6CD1
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   6 and name CD1) 5.91 1.03 1.03 !T16N-I6CD1
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CD) 4.31 0.10 0.10 !K10N-CD
!violates calc2
!assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CD) 3.52 0.27 0.27 !K10NZ-CD
assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CD) 3.52 1.27 1.27 !K10NZ-CD
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CD) 6.28 1.69 1.69 !T11N-K10CD
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CD) 3.87 0.40 0.40 !K13N-CD
!violates calc4
!assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CD) 2.91 0.10 0.10 !K13NZ-CD
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CD) 2.91 1.10 1.10 !K13NZ-CD
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  28 and name CD) 5.96 1.11 1.11 !E27N-K28CD
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CD) 4.58 0.10 0.10 !K28N-CD
!violates calc1
!assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  28 and name CD) 3.29 0.10 0.10 !K28NZ-CD
assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  28 and name CD) 3.29 1.10 1.10 !K28NZ-CD
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  31 and name CD) 2.32 0.10 0.10 !K31NZ-CD
!violates calc1
!assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid   4 and name CD) 3.25 0.10 0.10 !K4NZ-CD
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid   4 and name CD) 3.25 1.10 1.10 !K4NZ-CD
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   4 and name CD) 5.25 4.25 6.61 !L5N-K4CD
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CD) 3.40 0.10 0.10 !K50N-CD
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CD) 2.63 0.10 0.10 !K50NZ-CD
!violates calc4
!assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  12 and name CD2) 3.43 0.10 0.10 !K13N-L12CD2
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  12 and name CD2) 3.43 1.10 1.10 !K13N-L12CD2
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  12 and name CD2) 4.50 0.17 0.17 !L12N-CD2
!intermoleduclar
!assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  12 and name CD2) 4.41 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   5 and name CD2) 3.19 2.19 4.74 !I6N-L5CD2
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   5 and name CD2) 3.70 0.10 0.10 !T53N-L5CD2
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid   5 and name CD2) 3.67 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   7 and name CD1) 5.02 0.10 0.10 !E15N-L7CD1
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid   7 and name CD1) 5.02 1.10 1.10 !E15N-L7CD1
!violates calc4
!assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CD1) 3.48 0.10 0.10 !L7N-CD1
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CD1) 3.48 1.10 1.10 !L7N-CD1
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid   7 and name CD1) 4.31 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CD2) 3.53 0.12 0.12 !L7N-CD2
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   7 and name CD2) 3.53 1.12 1.12 !L7N-CD2
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   2 and name CD) 5.18 0.82 0.82 !Q2N-CD
!violates calc4
!assign (segid "GB1D" and resid   2 and name NE2)(segid "GB1D" and resid   2 and name CD) 1.75 0.10 0.10 !Q2NE2-CD
assign (segid "GB1D" and resid   2 and name NE2)(segid "GB1D" and resid   2 and name CD) 1.75 0.75 1.10 !Q2NE2-CD
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid   2 and name CD) 6.62 5.62 7.17 !T18N-Q2CD
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  43 and name CD1) 3.70 0.39 0.39 !W43N-CD1
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  43 and name CD1) 1.46 0.10 0.10 !W43NE1-CD1
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  43 and name CD2) 5.28 1.38 1.38 !K31NZ-W43CD2
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  43 and name CD2) 5.02 3.05 3.05 !W43N-CD2
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  43 and name CD2) 2.26 0.10 0.10 !W43NE1-CD2
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  10 and name CE) 5.48 1.21 1.21 !D40N-K10CE
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CE) 4.66 0.43 0.43 !K10N-CE
assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CE) 1.58 0.10 0.10 !K10NZ-CE
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  13 and name CE) 3.65 0.38 0.38 !G9N-K13CE
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  13 and name CE) 4.19 0.67 0.67 !K10N-K13CE
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CE) 1.57 0.10 0.10 !K13NZ-CE
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  13 and name CE) 4.36 0.67 0.67 !T11N-K13CE
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  28 and name CE) 6.61 5.61 5.86 !E27N-K28CE
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CE) 5.95 2.09 2.09 !K28N-CE
assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  28 and name CE) 1.87 0.10 0.10 !K28NZ-CE
!violates cacl4
!assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  31 and name CE) 1.90 0.10 0.10 !K31NZ-CE
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  31 and name CE) 1.90 0.90 1.10 !K31NZ-CE
!violates calc1
!assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CE) 2.20 0.10 0.10 !K50NZ-CE
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid  50 and name CE) 2.20 1.10 1.10 !K50NZ-CE
!intermoleduclar
!assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid   1 and name CE) 3.34 0.10 0.10 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid   1 and name CE) 4.32 0.10 0.10 !K31N-M1CE
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   1 and name CE) 4.06 3.06 6.00 !Q2N-M1CE
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  43 and name CZ2) 4.49 0.25 0.25 !K31N-W43CZ2
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  43 and name CZ2) 2.52 0.17 0.17 !W43NE1-CZ2
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  43 and name CZ3) 4.53 0.10 0.10 !K31N-W43CZ3
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  43 and name CZ3) 6.04 0.10 0.10 !T44N-W43CZ3
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid  43 and name CZ3) 4.55 0.10 0.10 !V54N-W43CZ3
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  43 and name CZ3) 4.10 0.10 0.10 !W43NE1-CZ3
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  43 and name CZ3) 6.38 0.10 0.10 !K31NZ-W43CZ3
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  43 and name CZ3) 4.90 3.90 6.38 !T53N-W43CZ3
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  43 and name CZ3) 6.02 0.10 0.10 !W43N-CZ3
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  36 and name CG) 2.56 0.10 0.10 !D36N-CG
!violates calc4
!assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CG) 4.51 0.32 0.32 !D40N-CG
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  40 and name CG) 4.51 1.32 1.32 !D40N-CG
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  40 and name CG) 4.23 0.15 0.15 !G41N-D40CG
assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  40 and name CG) 5.99 4.99 4.99 !K10NZ-D40CG
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  40 and name CG) 6.60 0.16 0.16 !V39N-D40CG
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  46 and name CG) 3.42 0.10 0.10 !A48N-D46CG
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  46 and name CG) 3.53 0.19 0.19 !D46N-CG
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  46 and name CG) 3.24 0.10 0.10 !D47N-D46CG
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  46 and name CG) 3.67 0.10 0.10 !T49N-D46CG
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  47 and name CG) 3.76 0.51 0.51 !D47N-CG
!intermoleduclar
!assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  47 and name CG) 6.65 5.64 5.64 !L12N-D47CG
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  15 and name CG) 2.49 1.49 6.12 !E15N-CG
!violates calc1
!assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CG) 3.47 0.10 0.10 !T16N-E15CG
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  15 and name CG) 3.47 1.10 1.10 !T16N-E15CG
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  56 and name CG) 2.48 0.25 0.25 !E56N-CG
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  56 and name CG) 5.41 1.40 1.40 !G41N-E56CG
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  56 and name CG) 5.07 1.34 1.34 !G9N-E56CG
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  56 and name CG) 3.86 0.16 0.16 !K10N-E56CG
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  56 and name CG) 6.02 4.84 4.84 !T55N-E56CG
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  30 and name CG) 5.86 1.46 1.46 !A34N-F30CG
assign (segid "GB1D" and resid  27 and name  N)(segid "GB1D" and resid  30 and name CG) 4.82 0.34 0.34 !E27N-F30CG
assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  30 and name CG) 2.99 0.10 0.10 !F30N-CG
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  30 and name CG) 4.42 0.10 0.10 !K31N-F30CG
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid  30 and name CG) 5.68 0.62 0.62 !L5N-F30CG
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  52 and name CG) 2.71 0.14 0.14 !F52N-CG
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  52 and name CG) 5.25 1.11 1.11 !D46N-F52CG
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid  52 and name CG) 6.05 1.49 1.49 !K4N-F52CG
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  52 and name CG) 5.72 1.15 1.15 !Y45N-F52CG
!violates calc1
!assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   6 and name CG1) 3.04 0.10 0.10 !T53N-I6CG1
!violates calc2 removed
!assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid   6 and name CG1) 3.04 1.10 1.10 !T53N-I6CG1
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid   6 and name CG2) 3.97 0.30 0.30 !I6N-CG2
assign (segid "GB1D" and resid   7 and name  N)(segid "GB1D" and resid   6 and name CG2) 3.54 0.10 0.10 !L7N-I6CG2
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  10 and name CG) 6.40 0.12 0.12 !E56N-K10CG
!violates calc4
!assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CG) 3.45 0.10 0.10 !K10N-CG
assign (segid "GB1D" and resid  10 and name  N)(segid "GB1D" and resid  10 and name CG) 3.45 1.10 1.10 !K10N-CG
!violates calc1
!assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CG) 5.95 0.12 0.12 !K10NZ-CG
!violates calc2 removed
!assign (segid "GB1D" and resid  10 and name NZ)(segid "GB1D" and resid  10 and name CG) 5.95 1.12 1.12 !K10NZ-CG
!violates calc4
!assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  10 and name CG) 5.88 0.12 0.12 !L12N-K10CG
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  10 and name CG) 5.88 1.12 1.12 !L12N-K10CG
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  10 and name CG) 4.72 3.72 4.74 !T11N-K10CG
assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  13 and name CG) 4.60 0.10 0.10 !G14N-K13CG
assign (segid "GB1D" and resid  13 and name  N)(segid "GB1D" and resid  13 and name CG) 3.22 0.10 0.10 !K13N-CG
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  13 and name CG) 4.92 2.73 2.73 !G9N-K13CG
!violates calc4
!assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CG) 3.61 0.10 0.10 !K13NZ-CG
assign (segid "GB1D" and resid  13 and name NZ)(segid "GB1D" and resid  13 and name CG) 3.61 1.10 1.10 !K13NZ-CG
assign (segid "GB1D" and resid  28 and name  N)(segid "GB1D" and resid  28 and name CG) 3.14 0.28 0.28 !K28N-CG
assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  28 and name CG) 4.19 0.28 0.28 !K28NZ-CG
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  28 and name CG) 4.41 0.30 0.30 !V29N-K28CG
assign (segid "GB1D" and resid  31 and name  N)(segid "GB1D" and resid  31 and name CG) 2.92 1.92 7.39 !K31N-CG
assign (segid "GB1D" and resid  31 and name NZ)(segid "GB1D" and resid  31 and name CG) 3.76 0.10 0.10 !K31NZ-CG
assign (segid "GB1D" and resid  43 and name NE1)(segid "GB1D" and resid  31 and name CG) 4.40 0.10 0.10 !W43NE1-K31CG
!violates calc1
!assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CG) 3.10 0.10 0.10 !K4N-CG
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   4 and name CG) 3.10 1.10 1.10 !K4N-CG
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  50 and name CG) 2.91 0.58 0.58 !K50N-CG
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  50 and name CG) 4.88 0.90 0.90 !T49N-K50CG
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  50 and name CG) 4.96 0.35 0.35 !T51N-K50CG
!violates calc1
!assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   5 and name CG) 3.05 0.10 0.10 !L5N-CG
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid   5 and name CG) 3.05 1.10 1.10 !L5N-CG
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid   1 and name CG) 3.74 0.20 0.20 !M1N-CG
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   1 and name CG) 2.86 0.10 0.10 !Q2N-M1CG
!violates calc4
!assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CG) 1.88 0.10 0.10 !N35ND2-CG
assign (segid "GB1D" and resid  35 and name ND2)(segid "GB1D" and resid  35 and name CG) 1.88 0.88 1.10 !N35ND2-CG
assign (segid "GB1D" and resid  36 and name  N)(segid "GB1D" and resid  37 and name CG) 5.05 2.33 2.33 !D36N-N37CG
!violates calc4
!assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  37 and name CG) 2.40 0.21 0.21 !N37N-CG
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  37 and name CG) 2.40 1.21 1.21 !N37N-CG
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  37 and name CG) 1.51 0.10 0.10 !N37ND2-CG
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  37 and name CG) 6.32 4.88 4.88 !V39N-N37CG
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid   8 and name CG) 1.43 0.10 0.10 !N8ND2-CG
!intermoleduclar
!assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  11 and name CG2) 4.65 0.41 0.41 !A48N-T11CG2
!intermoleduclar
!assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  11 and name CG2) 5.30 4.30 6.41 !D47N-T11CG2
assign (segid "GB1D" and resid  12 and name  N)(segid "GB1D" and resid  11 and name CG2) 4.94 0.21 0.21 !L12N-T11CG2
assign (segid "GB1D" and resid  11 and name  N)(segid "GB1D" and resid  11 and name CG2) 3.29 0.28 0.28 !T11N-CG2
assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  16 and name CG2) 6.35 0.96 0.96 !E15N-T16CG2
!violates calc4
!assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid  16 and name CG2) 5.18 0.26 0.26 !L5N-T16CG2
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid  16 and name CG2) 5.18 1.26 1.26 !L5N-T16CG2
assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  16 and name CG2) 3.53 0.23 0.23 !T16N-CG2
assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  16 and name CG2) 3.90 0.10 0.10 !T17N-T16CG2
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  17 and name CG2) 5.45 0.10 0.10 !E19N-T17CG2
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid  17 and name CG2) 6.12 0.10 0.10 !K4NZ-T17CG2
assign (segid "GB1D" and resid   2 and name NE2)(segid "GB1D" and resid  17 and name CG2) 4.96 0.10 0.10 !Q2NE2-T17CG2
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid  17 and name CG2) 4.90 3.90 6.33 !K4N-T17CG2
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid  17 and name CG2) 5.46 0.10 0.10 !L5N-T17CG2
!violates calc4
!assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  17 and name CG2) 3.17 0.10 0.10 !T17N-CG2
assign (segid "GB1D" and resid  17 and name  N)(segid "GB1D" and resid  17 and name CG2) 3.17 1.10 1.10 !T17N-CG2
assign (segid "GB1D" and resid  19 and name  N)(segid "GB1D" and resid  18 and name CG2) 3.63 0.10 0.10 !E19N-T18CG2
assign (segid "GB1D" and resid   5 and name  N)(segid "GB1D" and resid  18 and name CG2) 6.15 1.88 1.88 !L5N-T18CG2
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid  18 and name CG2) 3.30 0.10 0.10 !T18N-CG2
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid  18 and name CG2) 4.77 0.35 0.35 !Y3N-T18CG2
assign (segid "GB1D" and resid  22 and name  N)(segid "GB1D" and resid  25 and name CG2) 4.41 3.41 5.78 !D22N-T25CG2
assign (segid "GB1D" and resid  28 and name NZ)(segid "GB1D" and resid  25 and name CG2) 6.07 0.10 0.10 !K28NZ-T25CG2
assign (segid "GB1D" and resid  25 and name  N)(segid "GB1D" and resid  25 and name CG2) 3.51 0.10 0.10 !T25N-CG2
assign (segid "GB1D" and resid  21 and name  N)(segid "GB1D" and resid  25 and name CG2) 4.38 0.10 0.10 !V21N-T25CG2
!intermoleduclar
!assign (segid "GB1D" and resid  15 and name  N)(segid "GB1D" and resid  44 and name CG2) 4.22 0.24 0.24 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1D" and resid  14 and name  N)(segid "GB1D" and resid  44 and name CG2) 5.23 0.98 0.98 !G14N-T44CG2
!intermoleduclar
!assign (segid "GB1D" and resid  16 and name  N)(segid "GB1D" and resid  44 and name CG2) 5.26 1.14 1.14 !T16N-T44CG2
assign (segid "GB1D" and resid  44 and name  N)(segid "GB1D" and resid  44 and name CG2) 3.01 0.96 0.96 !T44N-CG2
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  44 and name CG2) 3.66 0.10 0.10 !T53N-T44CG2
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  44 and name CG2) 5.42 4.42 6.68 !W43N-T44CG2
assign (segid "GB1D" and resid  48 and name  N)(segid "GB1D" and resid  49 and name CG2) 5.29 0.38 0.38 !A48N-T49CG2
assign (segid "GB1D" and resid  50 and name  N)(segid "GB1D" and resid  49 and name CG2) 5.55 0.64 0.64 !K50N-T49CG2
assign (segid "GB1D" and resid  49 and name  N)(segid "GB1D" and resid  49 and name CG2) 3.38 0.10 0.10 !T49N-CG2
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  49 and name CG2) 7.41 6.41 6.75 !T51N-T49CG2
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  51 and name CG2) 3.37 0.10 0.10 !F52N-T51CG2
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid  51 and name CG2) 5.58 0.51 0.51 !K4N-T51CG2
assign (segid "GB1D" and resid   4 and name NZ)(segid "GB1D" and resid  51 and name CG2) 6.40 1.66 1.66 !K4NZ-T51CG2
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  51 and name CG2) 4.02 0.12 0.12 !T51N-CG2
!violates calc1
!assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid  53 and name CG2) 3.39 0.10 0.10 !I6N-T53CG2
assign (segid "GB1D" and resid   6 and name  N)(segid "GB1D" and resid  53 and name CG2) 3.39 1.10 1.10 !I6N-T53CG2
assign (segid "GB1D" and resid  53 and name  N)(segid "GB1D" and resid  53 and name CG2) 3.12 0.12 0.12 !T53N-CG2
!violates calc6
!assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CG2) 3.47 0.10 0.10 !E56N-T55CG2
assign (segid "GB1D" and resid  56 and name  N)(segid "GB1D" and resid  55 and name CG2) 3.47 1.10 1.10 !E56N-T55CG2
assign (segid "GB1D" and resid   8 and name ND2)(segid "GB1D" and resid  55 and name CG2) 4.39 3.39 7.09 !N8ND2-T55CG2
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  55 and name CG2) 3.46 0.10 0.10 !T55N-CG2
assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  55 and name CG2) 5.72 0.10 0.10 !W43N-T55CG2
assign (segid "GB1D" and resid  30 and name  N)(segid "GB1D" and resid  29 and name CG1) 3.57 0.24 0.24 !F30N-V29CG1
assign (segid "GB1D" and resid  29 and name  N)(segid "GB1D" and resid  29 and name CG2) 2.75 0.50 0.50 !V29N-CG2
!violates calc4
!assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  39 and name CG1) 3.81 0.10 0.10 !D40N-V39CG1
assign (segid "GB1D" and resid  40 and name  N)(segid "GB1D" and resid  39 and name CG1) 3.81 1.10 1.10 !D40N-V39CG1
assign (segid "GB1D" and resid   9 and name  N)(segid "GB1D" and resid  39 and name CG1) 5.67 0.10 0.10 !G9N-V39CG1
assign (segid "GB1D" and resid  39 and name  N)(segid "GB1D" and resid  39 and name CG1) 3.11 0.34 0.34 !V39N-CG1
assign (segid "GB1D" and resid  55 and name  N)(segid "GB1D" and resid  54 and name CG1) 4.20 0.10 0.10 !T55N-V54CG1
assign (segid "GB1D" and resid  54 and name  N)(segid "GB1D" and resid  54 and name CG1) 3.18 2.18 6.39 !V54N-CG1
!violates calc1
!assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  54 and name CG1) 4.90 0.10 0.10 !W43N-V54CG1
!violates again calc4 removed
!assign (segid "GB1D" and resid  43 and name  N)(segid "GB1D" and resid  54 and name CG1) 4.90 1.10 1.10 !W43N-V54CG1
assign (segid "GB1D" and resid  41 and name  N)(segid "GB1D" and resid  54 and name CG2) 2.93 0.10 0.10 !G41N-V54CG2
assign (segid "GB1D" and resid  34 and name  N)(segid "GB1D" and resid  33 and name CG) 3.35 0.10 0.10 !A34N-Y33CG
assign (segid "GB1D" and resid  37 and name  N)(segid "GB1D" and resid  33 and name CG) 5.27 0.11 0.11 !N37N-Y33CG
!violates calc6
!assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  33 and name CG) 3.86 0.10 0.10 !N37ND2-Y33CG
assign (segid "GB1D" and resid  37 and name ND2)(segid "GB1D" and resid  33 and name CG) 3.86 1.10 1.10 !N37ND2-Y33CG
assign (segid "GB1D" and resid  33 and name  N)(segid "GB1D" and resid  33 and name CG) 3.47 0.10 0.10 !Y33N-CG
assign (segid "GB1D" and resid   4 and name  N)(segid "GB1D" and resid   3 and name CG) 4.15 0.27 0.27 !K4N-Y3CG
assign (segid "GB1D" and resid   1 and name  N)(segid "GB1D" and resid   3 and name CG) 6.34 3.28 3.28 !M1N-Y3CG
assign (segid "GB1D" and resid  18 and name  N)(segid "GB1D" and resid   3 and name CG) 5.56 1.21 1.21 !T18N-Y3CG
assign (segid "GB1D" and resid   3 and name  N)(segid "GB1D" and resid   3 and name CG) 3.07 0.34 0.34 !Y3N-CG
assign (segid "GB1D" and resid  50 and name NZ)(segid "GB1D" and resid   3 and name CG) 6.69 5.69 6.95 !K50NZ-Y3CG
assign (segid "GB1D" and resid   2 and name  N)(segid "GB1D" and resid   3 and name CG) 4.65 0.48 0.48 !Q2N-Y3CG
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid   3 and name CG) 6.08 2.37 2.37 !T51N-Y3CG
assign (segid "GB1D" and resid  46 and name  N)(segid "GB1D" and resid  45 and name CG) 3.27 0.10 0.10 !D46N-Y45CG
assign (segid "GB1D" and resid  47 and name  N)(segid "GB1D" and resid  45 and name CG) 4.19 0.10 0.10 !D47N-Y45CG
assign (segid "GB1D" and resid  52 and name  N)(segid "GB1D" and resid  45 and name CG) 4.93 0.52 0.52 !F52N-Y45CG
assign (segid "GB1D" and resid  51 and name  N)(segid "GB1D" and resid  45 and name CG) 5.08 0.55 0.55 !T51N-Y45CG
assign (segid "GB1D" and resid  45 and name  N)(segid "GB1D" and resid  45 and name CG) 3.67 0.29 0.29 !Y45N-CG

! Intramolecular Restraints

assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  20 and name CA) 2.10 0.13 0.13 !V21N-A20CA
assign (segid "GB1E" and resid  24 and name  N)(segid "GB1E" and resid  24 and name CA) 1.51 0.10 0.10 !A24N-CA
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  24 and name CA) 2.90 0.20 0.20 !T25N-A24CA
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  34 and name CA) 1.51 0.10 0.10 !A34N-CA
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  34 and name CA) 2.81 0.10 0.10 !N35N-A34CA
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  48 and name CA) 1.50 0.10 0.10 !A48N-CA
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  48 and name CA) 2.81 0.18 0.18 !T49N-A48CA
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  22 and name CA) 2.60 0.18 0.18 !A23N-D22CA
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  22 and name CA) 1.46 0.10 0.10 !D22N-CA
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  36 and name CA) 1.45 0.10 0.10 !D36N-CA
!violates cacl4 
!assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  36 and name CA) 2.94 0.18 0.18 !N37N-D36CA
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  36 and name CA) 2.94 1.18 1.18 !N37N-D36CA
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CA) 1.50 0.10 0.10 !D40N-CA
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  40 and name CA) 2.62 0.10 0.10 !G41N-D40CA
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  46 and name CA) 1.44 0.10 0.10 !D46N-CA
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  46 and name CA) 2.76 0.19 0.19 !D47N-D46CA
!violates cacl4
!assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  47 and name CA) 3.48 0.65 0.65 !A48N-D47CA
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  47 and name CA) 3.48 1.65 1.65 !A48N-D47CA
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  47 and name CA) 1.51 0.10 0.10 !D47N-CA
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  15 and name CA) 1.46 0.10 0.10 !E15N-CA
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CA) 2.62 0.15 0.15 !T16N-E15CA
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  19 and name CA) 1.47 0.10 0.10 !E19N-CA
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  27 and name CA) 1.48 0.10 0.10 !E27N-CA
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  27 and name CA) 2.53 0.13 0.13 !K28N-E27CA
assign (segid "GB1E" and resid  42 and name  N)(segid "GB1E" and resid  42 and name CA) 1.42 0.10 0.10 !E42N-CA
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  42 and name CA) 2.61 0.20 0.20 !W43N-E42CA
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  56 and name CA) 1.44 0.10 0.10 !E56N-CA
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  14 and name CA) 2.81 0.22 0.22 !E15N-G14CA
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  14 and name CA) 1.44 0.10 0.10 !G14N-CA
assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  38 and name CA) 1.49 0.10 0.10 !G38N-CA
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  38 and name CA) 2.53 0.12 0.12 !V39N-G38CA
assign (segid "GB1E" and resid  42 and name  N)(segid "GB1E" and resid  41 and name CA) 2.68 0.14 0.14 !E42N-G41CA
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  41 and name CA) 1.46 0.10 0.10 !G41N-CA
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid   9 and name CA) 1.42 0.10 0.10 !G9N-CA
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid   9 and name CA) 2.48 0.10 0.10 !K10N-G9CA
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CA) 1.44 0.10 0.10 !I6N-CA
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   6 and name CA) 2.21 0.10 0.10 !L7N-I6CA
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CA) 2.47 0.10 0.10 !T11N-K10CA
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  13 and name CA) 2.51 0.10 0.10 !G14N-K13CA
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CA) 1.46 0.10 0.10 !K13N-CA
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CA) 1.47 0.10 0.10 !K28N-CA
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  28 and name CA) 2.29 0.10 0.10 !V29N-K28CA
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  31 and name CA) 1.47 0.10 0.10 !K31N-CA
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CA) 1.43 0.10 0.10 !K4N-CA
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CA) 1.42 0.10 0.10 !K50N-CA
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  12 and name CA) 1.43 0.10 0.10 !L12N-CA
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  12 and name CA) 5.07 1.94 1.94 !T11N-L12CA
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   5 and name CA) 1.42 0.10 0.10 !L5N-CA
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   7 and name CA) 5.10 4.10 6.34 !G14N-L7CA
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid   7 and name CA) 5.32 4.32 6.66 !G9N-L7CA
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CA) 1.45 0.12 0.12 !L7N-CA
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   7 and name CA) 2.56 0.10 0.10 !N8N-L7CA
!violates calc4
!assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   7 and name CA) 3.85 0.86 0.86 !V54N-L7CA
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   7 and name CA) 3.85 1.86 1.86 !V54N-L7CA
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid   1 and name CA) 1.48 0.10 0.10 !M1N-CA
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  35 and name CA) 3.57 0.58 0.58 !A34N-N35CA
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  35 and name CA) 2.59 0.15 0.15 !D36N-N35CA
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  35 and name CA) 1.47 0.10 0.10 !N35N-CA
assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  37 and name CA) 2.74 0.18 0.18 !G38N-N37CA
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid   8 and name CA) 2.55 0.13 0.13 !G9N-N8CA
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   2 and name CA) 1.44 0.10 0.10 !Q2N-CA
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid   2 and name CA) 2.55 0.11 0.11 !Y3N-Q2CA
assign (segid "GB1E" and resid  32 and name  N)(segid "GB1E" and resid  32 and name CA) 1.42 0.10 0.10 !Q32N-CA
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  11 and name CA) 2.58 0.13 0.13 !L12N-T11CA
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  11 and name CA) 1.45 0.10 0.10 !T11N-CA
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  18 and name CA) 2.64 0.15 0.15 !E19N-T18CA
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid  18 and name CA) 1.43 0.10 0.10 !T18N-CA
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  25 and name CA) 2.73 0.21 0.21 !A26N-T25CA
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  25 and name CA) 1.44 0.10 0.10 !T25N-CA
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  44 and name CA) 1.45 0.10 0.10 !T44N-CA
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  44 and name CA) 2.58 1.58 5.09 !Y45N-T44CA
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  51 and name CA) 2.71 0.16 0.16 !F52N-T51CA
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  51 and name CA) 1.45 0.10 0.10 !T51N-CA
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  53 and name CA) 1.49 0.10 0.10 !T53N-CA
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CA) 2.66 0.16 0.16 !E56N-T55CA
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  55 and name CA) 1.43 0.10 0.10 !T55N-CA
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  29 and name CA) 1.49 0.10 0.10 !V29N-CA
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  39 and name CA) 2.35 0.11 0.11 !D40N-V39CA
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  39 and name CA) 1.43 0.10 0.10 !V39N-CA
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  54 and name CA) 2.66 0.15 0.15 !T55N-V54CA
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid  54 and name CA) 1.45 0.10 0.10 !V54N-CA
assign (segid "GB1E" and resid  20 and name  N)(segid "GB1E" and resid  20 and name CB) 2.46 0.10 0.10 !A20N-CB
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  20 and name CB) 4.43 0.10 0.10 !A26N-A20CB
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid  20 and name CB) 6.16 3.33 3.33 !M1N-A20CB
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  20 and name CB) 3.27 0.10 0.10 !V21N-A20CB
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  23 and name CB) 2.49 0.15 0.15 !A23N-CB
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  23 and name CB) 6.58 2.81 2.81 !K50NZ-A23CB
assign (segid "GB1E" and resid  24 and name  N)(segid "GB1E" and resid  24 and name CB) 2.75 0.23 0.23 !A24N-CB
assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  24 and name CB) 6.94 5.94 7.30 !K28NZ-A24CB
!violates calc4
!assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  24 and name CB) 3.82 0.10 0.10 !T25N-A24CB
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  24 and name CB) 3.82 1.10 1.10 !T25N-A24CB
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  26 and name CB) 6.01 2.10 2.10 !A23N-A26CB
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  26 and name CB) 2.46 0.10 0.10 !A26N-CB
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  26 and name CB) 3.34 0.10 0.10 !E27N-A26CB
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  26 and name CB) 5.74 4.74 6.86 !K28N-A26CB
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  34 and name CB) 2.44 0.10 0.10 !A34N-CB
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  34 and name CB) 5.30 1.79 1.79 !G41N-A34CB
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  34 and name CB) 3.29 0.10 0.10 !N35N-A34CB
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  34 and name CB) 4.46 0.86 0.86 !V39N-A34CB
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  34 and name CB) 5.90 3.20 3.20 !W43NE1-A34CB
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  48 and name CB) 2.50 0.10 0.10 !A48N-CB
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  48 and name CB) 5.36 1.05 1.05 !D47N-A48CB
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  48 and name CB) 6.83 0.86 0.86 !K50NZ-A48CB
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  48 and name CB) 3.39 0.20 0.20 !T49N-A48CB
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  22 and name CB) 2.93 0.10 0.10 !A23N-D22CB
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  22 and name CB) 2.52 0.10 0.10 !D22N-CB
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  36 and name CB) 2.41 0.10 0.10 !D36N-CB
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  36 and name CB) 3.38 0.30 0.30 !N37N-D36CB
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  36 and name CB) 5.05 1.82 1.82 !N37ND2-D36CB
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CB) 2.51 0.10 0.10 !D40N-CB
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  40 and name CB) 3.60 0.17 0.17 !G41N-D40CB
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  46 and name CB) 2.46 0.10 0.10 !D46N-CB
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  47 and name CB) 3.70 0.50 0.50 !A48N-D47CB
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  47 and name CB) 2.46 0.38 0.38 !D47N-CB
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  15 and name CB) 2.95 0.59 0.59 !E15N-CB
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CB) 2.81 0.29 0.29 !T16N-E15CB
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  27 and name CB) 2.42 0.15 0.15 !E27N-CB
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  27 and name CB) 2.99 0.26 0.26 !K28N-E27CB
!violates calc4
!assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  56 and name CB) 2.96 0.10 0.10 !E56N-CB
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  56 and name CB) 2.96 1.10 1.10 !E56N-CB
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  56 and name CB) 4.24 0.20 0.20 !G41N-E56CB
!violates calc4
!assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  56 and name CB) 4.72 0.75 0.75 !G9N-E56CB
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  56 and name CB) 4.72 1.75 1.75 !G9N-E56CB
assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  30 and name CB) 2.47 0.10 0.10 !F30N-CB
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  30 and name CB) 3.06 0.10 0.10 !K31N-F30CB
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  52 and name CB) 2.32 0.10 0.10 !F52N-CB
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CB) 2.61 0.10 0.10 !I6N-CB
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  10 and name CB) 6.40 5.40 7.12 !G9N-K10CB
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CB) 2.44 0.10 0.10 !K10N-CB
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CB) 3.31 0.10 0.10 !T11N-K10CB
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  13 and name CB) 3.37 0.10 0.10 !G14N-K13CB
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CB) 2.45 0.20 0.20 !K13N-CB
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CB) 2.43 0.10 0.10 !K28N-CB
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  28 and name CB) 3.17 0.12 0.12 !V29N-K28CB
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  31 and name CB) 2.62 0.10 0.10 !K31N-CB
assign (segid "GB1E" and resid  32 and name  N)(segid "GB1E" and resid  31 and name CB) 3.12 0.10 0.10 !Q32N-K31CB
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CB) 2.43 0.21 0.21 !K4N-CB
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   4 and name CB) 3.50 0.44 0.44 !L5N-K4CB
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CB) 2.51 0.23 0.23 !K50N-CB
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CB) 4.50 0.80 0.80 !K50NZ-CB
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  50 and name CB) 5.28 1.57 1.57 !T49N-K50CB
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  50 and name CB) 4.24 0.68 0.68 !T51N-K50CB
!intermolecular
!assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid   1 and name CB) 4.94 3.94 6.46 !K31NZ-M1CB
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   1 and name CB) 3.32 0.10 0.10 !Q2N-M1CB
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  35 and name CB) 3.02 0.10 0.10 !D36N-N35CB
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  35 and name CB) 2.47 0.16 0.16 !N35N-CB
!violates calc1
!assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CB) 3.54 0.27 0.27 !N35ND2-CB
assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CB) 3.54 1.27 1.27 !N35ND2-CB
assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  37 and name CB) 3.70 2.70 5.81 !G38N-N37CB
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  37 and name CB) 2.39 0.25 0.25 !N37N-CB
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  37 and name CB) 2.63 1.63 2.70 !N37ND2-CB
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   8 and name CB) 2.21 0.10 0.10 !N8N-CB
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid   8 and name CB) 2.71 0.47 0.47 !N8ND2-CB
!violates calc1
!assign (segid "GB1E" and resid  32 and name NE2)(segid "GB1E" and resid  32 and name CB) 2.43 0.10 0.10 !Q32NE2-CB
assign (segid "GB1E" and resid  32 and name NE2)(segid "GB1E" and resid  32 and name CB) 2.43 1.10 1.10 !Q32NE2-CB
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  11 and name CB) 3.58 2.58 5.51 !L12N-T11CB
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  11 and name CB) 2.54 0.10 0.10 !T11N-CB
assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  17 and name CB) 2.52 0.17 0.17 !T17N-CB
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  18 and name CB) 3.30 0.10 0.10 !E19N-T18CB
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid  18 and name CB) 2.47 1.47 4.87 !T18N-CB
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  25 and name CB) 3.15 0.37 0.37 !A26N-T25CB
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  25 and name CB) 2.50 0.20 0.20 !T25N-CB
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  44 and name CB) 2.47 0.38 0.38 !T44N-CB
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  44 and name CB) 3.22 0.10 0.10 !Y45N-T44CB
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  49 and name CB) 3.81 0.35 0.35 !K50N-T49CB
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  49 and name CB) 2.50 0.28 0.28 !T49N-CB
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  49 and name CB) 5.23 1.16 1.16 !T51N-T49CB
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  51 and name CB) 4.89 1.00 1.00 !D46N-T51CB
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  51 and name CB) 3.68 0.10 0.10 !F52N-T51CB
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  51 and name CB) 5.16 1.74 1.74 !K50N-T51CB
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  51 and name CB) 2.50 0.11 0.11 !T51N-CB
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CB) 3.67 0.10 0.10 !E56N-T55CB
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid  55 and name CB) 5.28 4.28 6.62 !N8N-T55CB
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid  55 and name CB) 5.28 2.29 2.29 !N8ND2-T55CB
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  55 and name CB) 2.50 0.10 0.10 !T55N-CB
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  43 and name CB) 2.81 0.10 0.10 !T44N-W43CB
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  33 and name CB) 3.44 0.64 0.64 !A34N-Y33CB
assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  33 and name CB) 3.82 0.28 0.28 !F30N-Y33CB
assign (segid "GB1E" and resid  33 and name  N)(segid "GB1E" and resid  33 and name CB) 2.47 0.34 0.34 !Y33N-CB
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  45 and name CB) 2.35 0.10 0.10 !Y45N-CB
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.67 0.16 0.16 !E15N-I6CD1
!violates calc1
!assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   6 and name CD1) 6.34 0.15 0.15 !G14N-I6CD1
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   6 and name CD1) 6.34 1.15 1.15 !G14N-I6CD1
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid   6 and name CD1) 4.60 0.15 0.15 !K4NZ-I6CD1
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.74 0.16 0.16 !T16N-I6CD1
!violates calc2
!assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   6 and name CD1) 6.79 0.17 0.17 !V54N-I6CD1
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   6 and name CD1) 6.79 1.17 1.17 !V54N-I6CD1
!violates cacl5
!assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.43 0.14 0.14 !F52N-I6CD1
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.43 1.14 1.14 !F52N-I6CD1
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CD1) 3.39 0.10 0.10 !I6N-CD1
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   6 and name CD1) 4.74 3.74 6.54 !L7N-I6CD1
!violates calc1
!assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.10 0.10 0.10 !T53N-I6CD1
!violates calc 6 removed
!assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.10 1.10 1.10 !T53N-I6CD1
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  10 and name CD) 5.71 1.51 1.51 !E56N-K10CD
!violates calc1
!assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CD) 2.72 0.21 0.21 !K10NZ-CD
assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CD) 2.72 1.21 1.21 !K10NZ-CD
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CD) 5.58 1.45 1.45 !T11N-K10CD
!violates calc4
!assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CD) 4.35 0.10 0.10 !K13N-CD
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CD) 4.35 1.10 1.10 !K13N-CD
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CD) 2.66 0.33 0.33 !K13NZ-CD
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CD) 4.32 0.29 0.29 !K28N-CD
assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  28 and name CD) 2.88 0.10 0.10 !K28NZ-CD
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  28 and name CD) 6.84 2.84 2.84 !V29N-K28CD
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  31 and name CD) 2.52 0.15 0.15 !K31NZ-CD
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CD) 4.87 0.10 0.10 !K4N-CD
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid   4 and name CD) 2.95 1.95 5.26 !K4NZ-CD
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   4 and name CD) 5.11 0.10 0.10 !L5N-K4CD
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CD) 3.32 0.10 0.10 !K50N-CD
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CD) 2.26 0.13 0.13 !K50NZ-CD
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  50 and name CD) 6.06 5.06 6.80 !T49N-K50CD
assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  12 and name CD1) 4.31 0.10 0.10 !G38N-L12CD1
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  12 and name CD1) 3.06 0.10 0.10 !N37ND2-L12CD1
!intermoleduclar
!assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  12 and name CD2) 3.98 0.47 0.47 !D46N-L12CD2
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  12 and name CD2) 5.65 1.47 1.47 !G9N-L12CD2
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  12 and name CD2) 3.99 0.10 0.10 !L12N-CD2
!intermoleduclar
!assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  12 and name CD2) 1.00 0.00 0.10 !T44N-L12CD2
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  12 and name CD2) 5.17 0.83 0.83 !G14N-L12CD2
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  12 and name CD2) 3.44 0.43 0.43 !K13N-L12CD2
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  12 and name CD2) 5.68 1.54 1.54 !N37ND2-L12CD2
!intermoleduclar
!assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  12 and name CD2) 4.31 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid   5 and name CD2) 4.87 0.10 0.10 !F52N-L5CD2
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   5 and name CD2) 3.29 0.10 0.10 !I6N-L5CD2
!violates calc4
!assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   5 and name CD2) 5.36 0.10 0.10 !T16N-L5CD2
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   5 and name CD2) 5.36 1.10 1.10 !T16N-L5CD2
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   5 and name CD2) 3.92 2.92 5.64 !T53N-L5CD2
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   5 and name CD2) 3.77 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   7 and name CD1) 3.98 0.10 0.10 !E15N-L7CD1
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   7 and name CD1) 3.98 1.10 1.10 !E15N-L7CD1
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CD1) 3.28 0.10 0.10 !L7N-CD1
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   7 and name CD1) 4.79 3.79 4.73 !N8N-L7CD1
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   7 and name CD1) 4.06 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   7 and name CD2) 4.76 0.10 0.10 !E15N-L7CD2
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   7 and name CD2) 4.76 1.10 1.10 !E15N-L7CD2
!violates calc4
!assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   7 and name CD2) 5.08 0.14 0.14 !G14N-L7CD2
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   7 and name CD2) 5.08 1.14 1.14 !G14N-L7CD2
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid   7 and name CD2) 5.09 4.09 6.54 !G9N-L7CD2
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid   7 and name CD2) 4.79 0.16 0.16 !K13N-L7CD2
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid   7 and name CD2) 6.73 0.16 0.16 !K13NZ-L7CD2
!violates calc4
!assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CD2) 3.50 0.10 0.10 !L7N-CD2
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CD2) 3.50 1.10 1.10 !L7N-CD2
!violates calc4
!assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   7 and name CD2) 4.61 0.10 0.10 !N8N-L7CD2
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   7 and name CD2) 4.61 1.10 1.10 !N8N-L7CD2
!violates calc4
!assign (segid "GB1E" and resid   2 and name NE2)(segid "GB1E" and resid   2 and name CD) 1.82 0.10 0.10 !Q2NE2-CD
assign (segid "GB1E" and resid   2 and name NE2)(segid "GB1E" and resid   2 and name CD) 1.82 0.82 1.10 !Q2NE2-CD
assign (segid "GB1E" and resid  32 and name NE2)(segid "GB1E" and resid  32 and name CD) 1.70 0.10 0.10 !Q32NE2-CD
!violates calc4
!assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CE) 1.92 0.10 0.10 !K10NZ-CE
assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CE) 1.92 0.92 1.10 !K10NZ-CE
!violates calc1
!assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CE) 2.26 0.10 0.10 !K13NZ-CE
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CE) 2.26 1.10 1.10 !K13NZ-CE
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CE) 5.45 1.95 1.95 !K28N-CE
assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  28 and name CE) 1.88 0.10 0.10 !K28NZ-CE
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  31 and name CE) 1.61 0.10 0.10 !K31NZ-CE
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CE) 1.59 0.10 0.10 !K50NZ-CE
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid   1 and name CE) 4.20 1.04 1.04 !A23N-M1CE
!intermoleduclar
!assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid   1 and name CE) 4.49 0.50 0.50 !K28NZ-M1CE
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid   1 and name CE) 3.83 0.10 0.10 !K50NZ-M1CE
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid   1 and name CE) 5.00 0.10 0.10 !V21N-M1CE
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid   1 and name CE) 5.35 0.84 0.84 !D22N-M1CE
!intermoleduclar
!assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid   1 and name CE) 4.73 0.58 0.58 !K31N-M1CE
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid   1 and name CE) 3.77 0.60 0.60 !M1N-CE
!intermoleduclar
!assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid   1 and name CE) 4.74 2.15 2.15 !V29N-M1CE
!intermoleduclar
!assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid   1 and name CE) 3.54 0.49 0.49 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid   1 and name CE) 3.63 0.57 0.57 !K31NZ-M1CE
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   1 and name CE) 4.20 1.04 1.04 !Q2N-M1CE
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid   1 and name CE) 5.42 1.45 1.45 !Y3N-M1CE
!violates calc1
!assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CG) 2.82 0.10 0.10 !D40N-CG
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CG) 2.82 1.10 1.10 !D40N-CG
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  40 and name CG) 3.57 0.10 0.10 !G41N-D40CG
!violates calc1
!assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CG) 3.22 0.11 0.11 !T16N-E15CG
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CG) 3.22 1.11 1.11 !T16N-E15CG
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  15 and name CG) 2.77 0.10 0.10 !E15N-CG
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  27 and name CG) 5.36 0.10 0.10 !A26N-E27CG
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  27 and name CG) 3.28 0.11 0.11 !K28N-E27CG
!violates calc4
!assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  27 and name CG) 3.67 0.10 0.10 !K31NZ-E27CG
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  27 and name CG) 3.67 1.10 1.10 !K31NZ-E27CG
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  27 and name CG) 3.30 0.10 0.10 !E27N-CG
!violates calc1
!assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  27 and name CG) 4.19 0.10 0.10 !K31N-E27CG
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  27 and name CG) 4.19 1.10 1.10 !K31N-E27CG
!intermoleduclar
!assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid  27 and name CG) 4.23 3.23 5.29 !M1N-E27CG
assign (segid "GB1E" and resid  42 and name  N)(segid "GB1E" and resid  42 and name CG) 2.56 0.12 0.12 !E42N-CG
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  56 and name CG) 2.50 0.10 0.10 !E56N-CG
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CG1) 2.76 0.10 0.10 !I6N-CG1
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   6 and name CG1) 4.35 0.27 0.27 !L7N-I6CG1
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   6 and name CG1) 5.40 1.12 1.12 !T53N-I6CG1
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   6 and name CG2) 5.57 1.65 1.65 !E15N-I6CG2
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid   6 and name CG2) 6.40 5.40 6.76 !G9N-I6CG2
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   6 and name CG2) 3.04 0.10 0.10 !L7N-I6CG2
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   6 and name CG2) 5.64 1.93 1.93 !T16N-I6CG2
!violates calc4
!assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid   6 and name CG2) 5.56 1.28 1.28 !F52N-I6CG2
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid   6 and name CG2) 5.56 2.28 2.28 !F52N-I6CG2
!violates calc4
!assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CG2) 3.30 0.10 0.10 !I6N-CG2
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CG2) 3.30 1.10 1.10 !I6N-CG2
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   6 and name CG2) 4.67 0.24 0.24 !N8N-I6CG2
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   6 and name CG2) 5.81 4.81 6.83 !T53N-I6CG2
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   6 and name CG2) 5.46 1.46 1.46 !G14N-I6CG2
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid   6 and name CG2) 7.30 5.73 5.73 !K4NZ-I6CG2
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid   6 and name CG2) 5.57 1.65 1.65 !N8ND2-I6CG2
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CG) 2.87 0.10 0.10 !K10N-CG
assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CG) 3.89 0.10 0.10 !K10NZ-CG
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CG) 4.25 0.20 0.20 !T11N-K10CG
!violates calc1
!assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  13 and name CG) 3.41 0.10 0.10 !G14N-K13CG
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  13 and name CG) 3.41 1.10 1.10 !G14N-K13CG
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  13 and name CG) 4.27 0.10 0.10 !G9N-K13CG
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CG) 3.06 0.10 0.10 !K13N-CG
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CG) 4.10 3.10 6.02 !K13NZ-CG
!intermoleduclar
!assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  13 and name CG) 4.23 0.10 0.10 !Y45N-K13CG
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CG) 2.67 0.22 0.22 !K28N-CG
!violates calc4
!assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  31 and name CG) 2.43 0.16 0.16 !K31N-CG
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  31 and name CG) 2.43 1.16 1.16 !K31N-CG
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CG) 3.94 0.10 0.10 !K4N-CG
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   4 and name CG) 3.43 0.10 0.10 !L5N-K4CG
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   4 and name CG) 4.42 0.28 0.28 !T16N-K4CG
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid   4 and name CG) 5.30 2.33 2.33 !T51N-K4CG
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CG) 2.70 0.29 0.29 !K50N-CG
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CG) 3.74 0.27 0.27 !K50NZ-CG
!violates calc4
!assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  12 and name CG) 3.08 0.10 0.10 !K13N-L12CG
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  12 and name CG) 3.08 1.10 1.10 !K13N-L12CG
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid   1 and name CG) 3.61 0.50 0.50 !M1N-CG
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   1 and name CG) 3.01 0.10 0.10 !Q2N-M1CG
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid   1 and name CG) 5.88 4.88 6.46 !V21N-M1CG
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid   1 and name CG) 4.82 1.41 1.41 !Y3N-M1CG
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  35 and name CG) 3.53 0.10 0.10 !N35N-CG
!violates calc4
!assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CG) 1.87 0.10 0.10 !N35ND2-CG
assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CG) 1.87 0.87 1.10 !N35ND2-CG
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  37 and name CG) 1.42 0.10 0.10 !N37ND2-CG
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid   8 and name CG) 1.41 0.10 0.10 !N8ND2-CG
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   2 and name CG) 3.12 0.10 0.10 !Q2N-CG
assign (segid "GB1E" and resid   2 and name NE2)(segid "GB1E" and resid   2 and name CG) 2.78 0.10 0.10 !Q2NE2-CG
assign (segid "GB1E" and resid  32 and name NE2)(segid "GB1E" and resid  32 and name CG) 2.59 0.12 0.12 !Q32NE2-CG
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  11 and name CG2) 4.38 0.40 0.40 !L12N-T11CG2
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  11 and name CG2) 2.80 0.12 0.12 !T11N-CG2
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid  16 and name CG2) 4.83 0.98 0.98 !L5N-T16CG2
!violates calc1
!assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  16 and name CG2) 2.63 0.37 0.37 !T16N-CG2
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  16 and name CG2) 2.63 1.37 1.37 !T16N-CG2
!violates calc1
!assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  17 and name CG2) 2.56 0.21 0.21 !T17N-CG2
assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  17 and name CG2) 2.56 1.21 1.21 !T17N-CG2
!violates calc4
!assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  18 and name CG2) 3.07 0.10 0.10 !E19N-T18CG2
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  18 and name CG2) 3.07 1.10 1.10 !E19N-T18CG2
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid  18 and name CG2) 2.81 0.10 0.10 !T18N-CG2
!violates calc4
!assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  25 and name CG2) 2.72 0.10 0.10 !T25N-CG2
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  25 and name CG2) 2.72 1.10 1.10 !T25N-CG2
!intermoleduclar
!assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  44 and name CG2) 3.44 0.10 0.10 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  44 and name CG2) 4.85 0.86 0.86 !G14N-T44CG2
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  44 and name CG2) 2.71 0.11 0.11 !T44N-CG2
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  49 and name CG2) 5.16 0.88 0.88 !K50N-T49CG2
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  49 and name CG2) 2.88 0.25 0.25 !T49N-CG2
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  49 and name CG2) 5.12 0.90 0.90 !T51N-T49CG2
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  51 and name CG2) 3.18 0.15 0.15 !F52N-T51CG2
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid  51 and name CG2) 5.15 0.40 0.40 !K4N-T51CG2
!violates calc4
!assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  51 and name CG2) 3.23 0.10 0.10 !T51N-CG2
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  51 and name CG2) 3.23 1.10 1.10 !T51N-CG2
!violates calc1
!assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid  53 and name CG2) 3.54 0.10 0.10 !I6N-T53CG2
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid  53 and name CG2) 3.54 1.10 1.10 !I6N-T53CG2
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  53 and name CG2) 2.97 0.10 0.10 !T53N-CG2
!violates calc4
!assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CG2) 2.89 0.52 0.52 !E56N-T55CG2
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CG2) 2.89 1.52 1.52 !E56N-T55CG2
!violates calc4
!assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid  55 and name CG2) 3.80 0.10 0.10 !N8ND2-T55CG2
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid  55 and name CG2) 3.80 1.10 1.10 !N8ND2-T55CG2
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  55 and name CG2) 2.90 0.24 0.24 !T55N-CG2
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  21 and name CG1) 2.93 0.16 0.16 !D22N-V21CG1
!violates calc1
!assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  21 and name CG1) 2.61 0.19 0.19 !V21N-CG1
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  21 and name CG1) 2.61 1.19 1.19 !V21N-CG1
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  21 and name CG2) 3.02 0.29 0.29 !D22N-V21CG2
!violates calc2
!assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  21 and name CG2) 2.81 0.32 0.32 !V21N-CG2
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  21 and name CG2) 2.81 1.32 1.32 !V21N-CG2
!violates calc4
!assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  29 and name CG1) 2.81 0.10 0.10 !F30N-V29CG1
assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  29 and name CG1) 2.81 1.10 1.10 !F30N-V29CG1
!violates calc1
!assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  29 and name CG1) 4.67 0.74 0.74 !K28N-V29CG1
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  29 and name CG1) 4.67 1.74 1.74 !K28N-V29CG1
!violates calc2
!assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  29 and name CG1) 2.96 0.10 0.10 !V29N-CG1
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  29 and name CG1) 2.96 1.10 1.10 !V29N-CG1
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  29 and name CG2) 5.39 2.05 2.05 !E27N-V29CG2
assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  29 and name CG2) 4.29 0.26 0.26 !F30N-V29CG2
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  29 and name CG2) 5.28 1.86 1.86 !K28N-V29CG2
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  29 and name CG2) 2.69 0.10 0.10 !V29N-CG2
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  39 and name CG1) 3.26 2.26 5.48 !D40N-V39CG1
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  39 and name CG1) 4.85 0.38 0.38 !G9N-V39CG1
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  39 and name CG1) 6.09 0.39 0.39 !L12N-V39CG1
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  39 and name CG1) 6.80 0.38 0.38 !T11N-V39CG1
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  39 and name CG1) 2.81 0.10 0.10 !V39N-CG1
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  39 and name CG1) 5.64 0.39 0.39 !N37N-V39CG1
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  54 and name CG1) 6.13 2.85 2.85 !G41N-V54CG1
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  54 and name CG1) 5.76 1.03 1.03 !G9N-V54CG1
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid  54 and name CG1) 5.89 2.02 2.02 !I6N-V54CG1
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid  54 and name CG1) 4.87 0.70 0.70 !L7N-V54CG1
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  54 and name CG1) 6.13 2.44 2.44 !T53N-V54CG1
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  54 and name CG1) 4.15 0.10 0.10 !T55N-V54CG1
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid  54 and name CG1) 3.04 0.12 0.12 !V54N-CG1
!violates calc1
!assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  54 and name CG1) 4.64 0.51 0.51 !W43N-V54CG1
!violates again cacl5
!assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  54 and name CG1) 4.64 1.51 1.51 !W43N-V54CG1
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  54 and name CG1) 5.00 0.85 0.85 !W43NE1-V54CG1
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  54 and name CG1) 6.17 5.17 6.99 !A34N-V54CG1
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  54 and name CG1) 6.13 2.85 2.85 !E56N-V54CG1
assign (segid "GB1E" and resid  32 and name  N)(segid "GB1E" and resid  54 and name CG1) 6.30 5.30 6.72 !Q32N-V54CG1
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  54 and name CG2) 3.05 0.10 0.10 !G41N-V54CG2
!violates calc1
!assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid  54 and name CG2) 3.09 0.10 0.10 !V54N-CG2
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid  54 and name CG2) 3.09 1.10 1.10 !V54N-CG2
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  54 and name CG2) 3.21 0.10 0.10 !W43NE1-V54CG2
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  54 and name CG2) 2.92 1.92 5.23 !T55N-V54CG2
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  54 and name CG2) 4.94 0.10 0.10 !W43N-V54CG2
assign (segid "GB1E" and resid  20 and name  N)(segid "GB1E" and resid  20 and name CA) 1.44 0.10 0.10 !A20N-CA
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  20 and name CA) 4.68 2.37 2.37 !D22N-A20CA
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid  20 and name CA) 5.20 4.20 6.53 !M1N-A20CA
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  20 and name CA) 2.70 0.10 0.10 !V21N-A20CA
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  23 and name CA) 1.44 0.10 0.10 !A23N-CA
assign (segid "GB1E" and resid  24 and name  N)(segid "GB1E" and resid  24 and name CA) 1.53 0.10 0.10 !A24N-CA
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  24 and name CA) 2.80 0.10 0.10 !T25N-A24CA
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  26 and name CA) 1.45 0.10 0.10 !A26N-CA
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  26 and name CA) 2.51 0.16 0.16 !E27N-A26CA
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  26 and name CA) 4.24 1.13 1.13 !T25N-A26CA
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  34 and name CA) 1.46 0.10 0.10 !A34N-CA
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  34 and name CA) 2.50 0.12 0.12 !N35N-A34CA
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  48 and name CA) 1.46 0.10 0.10 !A48N-CA
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  48 and name CA) 4.22 1.45 1.45 !D47N-A48CA
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  48 and name CA) 2.49 0.10 0.10 !T49N-A48CA
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  22 and name CA) 2.50 0.16 0.16 !A23N-D22CA
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  22 and name CA) 1.44 0.10 0.10 !D22N-CA
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  22 and name CA) 3.82 0.89 0.89 !V21N-D22CA
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  36 and name CA) 1.44 0.10 0.10 !D36N-CA
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  36 and name CA) 2.51 0.18 0.18 !N37N-D36CA
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CA) 1.48 0.10 0.10 !D40N-CA
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  40 and name CA) 2.59 0.10 0.10 !G41N-D40CA
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  46 and name CA) 4.20 0.98 0.98 !A48N-D46CA
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  46 and name CA) 1.45 0.10 0.10 !D46N-CA
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  46 and name CA) 2.61 0.10 0.10 !D47N-D46CA
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  47 and name CA) 2.82 0.41 0.41 !A48N-D47CA
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  47 and name CA) 1.41 0.10 0.10 !D47N-CA
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  47 and name CA) 5.95 4.95 5.76 !T49N-D47CA
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  15 and name CA) 1.44 0.10 0.10 !E15N-CA
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CA) 2.70 0.20 0.20 !T16N-E15CA
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  19 and name CA) 1.53 0.10 0.10 !E19N-CA
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  27 and name CA) 1.44 0.10 0.10 !E27N-CA
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  27 and name CA) 2.49 0.10 0.10 !K28N-E27CA
assign (segid "GB1E" and resid  42 and name  N)(segid "GB1E" and resid  42 and name CA) 1.06 0.06 0.10 !E42N-CA
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  56 and name CA) 1.44 0.28 0.28 !E56N-CA
assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  30 and name CA) 1.45 0.10 0.10 !F30N-CA
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  30 and name CA) 2.56 0.10 0.10 !K31N-F30CA
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  52 and name CA) 1.43 0.10 0.10 !F52N-CA
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  52 and name CA) 2.64 0.16 0.16 !T53N-F52CA
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  14 and name CA) 1.43 0.10 0.10 !G14N-CA
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  14 and name CA) 2.62 0.14 0.14 !E15N-G14CA
assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  38 and name CA) 1.43 0.10 0.10 !G38N-CA
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  38 and name CA) 4.36 1.53 1.53 !N37N-G38CA
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  38 and name CA) 2.60 0.10 0.10 !V39N-G38CA
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  41 and name CA) 1.47 0.10 0.10 !G41N-CA
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  41 and name CA) 4.34 1.10 1.10 !D40N-G41CA
assign (segid "GB1E" and resid  42 and name  N)(segid "GB1E" and resid  41 and name CA) 2.63 0.10 0.10 !E42N-G41CA
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid   9 and name CA) 1.44 0.10 0.10 !G9N-CA
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid   9 and name CA) 5.64 4.64 5.18 !K13N-G9CA
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   9 and name CA) 4.91 2.64 2.64 !N8N-G9CA
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid   9 and name CA) 2.58 0.17 0.17 !K10N-G9CA
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid   9 and name CA) 4.65 2.55 2.55 !L12N-G9CA
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CA) 1.45 0.10 0.10 !K10N-CA
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CA) 2.53 0.11 0.11 !T11N-K10CA
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  13 and name CA) 2.58 0.14 0.14 !G14N-K13CA
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CA) 1.44 0.10 0.10 !K13N-CA
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CA) 1.44 0.10 0.10 !K28N-CA
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  28 and name CA) 2.39 0.10 0.10 !V29N-K28CA
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  31 and name CA) 1.45 0.10 0.10 !K31N-CA
assign (segid "GB1E" and resid  32 and name  N)(segid "GB1E" and resid  31 and name CA) 2.53 0.12 0.12 !Q32N-K31CA
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CA) 1.44 0.10 0.10 !K4N-CA
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   4 and name CA) 2.54 0.10 0.10 !L5N-K4CA
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CA) 1.44 0.10 0.10 !K50N-CA
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  50 and name CA) 4.95 1.30 1.30 !T49N-K50CA
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  35 and name CA) 2.60 0.10 0.10 !D36N-N35CA
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  35 and name CA) 1.41 0.10 0.10 !N35N-CA
assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  37 and name CA) 2.59 0.21 0.21 !G38N-N37CA
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  37 and name CA) 4.29 1.20 1.20 !N37ND2-CA
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid   8 and name CA) 2.46 0.17 0.17 !G9N-N8CA
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid   8 and name CA) 4.05 0.90 0.90 !N8ND2-CA
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid   2 and name CA) 2.33 0.10 0.10 !Y3N-Q2CA
assign (segid "GB1E" and resid  32 and name  N)(segid "GB1E" and resid  32 and name CA) 1.47 0.10 0.10 !Q32N-CA
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  11 and name CA) 2.56 0.10 0.10 !L12N-T11CA
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  11 and name CA) 1.43 0.43 0.63 !T11N-CA
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  16 and name CA) 1.38 0.10 0.10 !T16N-CA
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  18 and name CA) 2.58 0.15 0.15 !E19N-T18CA
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid  18 and name CA) 1.44 0.10 0.10 !T18N-CA
assign (segid "GB1E" and resid  24 and name  N)(segid "GB1E" and resid  25 and name CA) 4.68 1.60 1.60 !A24N-T25CA
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  25 and name CA) 2.53 0.15 0.15 !A26N-T25CA
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  25 and name CA) 1.49 0.10 0.10 !T25N-CA
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  44 and name CA) 1.43 0.10 0.10 !T44N-CA
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  44 and name CA) 2.59 0.10 0.10 !Y45N-T44CA
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  49 and name CA) 1.44 0.10 0.10 !T49N-CA
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  51 and name CA) 2.59 0.15 0.15 !F52N-T51CA
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  51 and name CA) 4.63 3.27 3.27 !K50N-T51CA
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  51 and name CA) 1.43 0.10 0.10 !T51N-CA
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  53 and name CA) 1.43 0.10 0.10 !T53N-CA
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid  53 and name CA) 2.82 0.10 0.10 !V54N-T53CA
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CA) 2.61 0.18 0.18 !E56N-T55CA
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  55 and name CA) 1.46 0.10 0.10 !T55N-CA
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  43 and name CA) 1.43 0.10 0.10 !W43N-CA
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  33 and name CA) 2.39 0.15 0.15 !A34N-Y33CA
assign (segid "GB1E" and resid  33 and name  N)(segid "GB1E" and resid  33 and name CA) 1.44 0.10 0.10 !Y33N-CA
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   3 and name CA) 2.57 0.19 0.19 !K4N-Y3CA
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   3 and name CA) 4.13 1.02 1.02 !Q2N-Y3CA
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid   3 and name CA) 5.03 4.03 5.10 !T18N-Y3CA
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid   3 and name CA) 1.44 0.10 0.10 !Y3N-CA
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  45 and name CA) 2.56 0.14 0.14 !D46N-Y45CA
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  45 and name CA) 5.95 4.95 6.15 !D47N-Y45CA
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  45 and name CA) 1.44 0.10 0.10 !Y45N-CA
assign (segid "GB1E" and resid  20 and name  N)(segid "GB1E" and resid  20 and name CB) 2.41 0.20 0.20 !A20N-CB
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  20 and name CB) 4.08 0.45 0.45 !A26N-A20CB
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  20 and name CB) 3.92 0.10 0.10 !D22N-A20CB
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  20 and name CB) 3.25 0.10 0.10 !V21N-A20CB
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  23 and name CB) 2.34 0.10 0.10 !A23N-CB
assign (segid "GB1E" and resid  24 and name  N)(segid "GB1E" and resid  24 and name CB) 2.35 0.10 0.10 !A24N-CB
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  24 and name CB) 3.39 0.10 0.10 !T25N-A24CB
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  26 and name CB) 2.42 0.13 0.13 !A26N-CB
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  26 and name CB) 3.36 0.31 0.31 !E27N-A26CB
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  26 and name CB) 5.28 0.98 0.98 !K28N-A26CB
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  34 and name CB) 2.42 0.10 0.10 !A34N-CB
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  34 and name CB) 3.32 0.10 0.10 !N35N-A34CB
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  48 and name CB) 2.45 0.10 0.10 !A48N-CB
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  48 and name CB) 3.38 0.10 0.10 !T49N-A48CB
assign (segid "GB1E" and resid  23 and name  N)(segid "GB1E" and resid  22 and name CB) 3.21 0.10 0.10 !A23N-D22CB
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  22 and name CB) 2.44 0.13 0.13 !D22N-CB
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  36 and name CB) 2.44 0.10 0.10 !D36N-CB
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  36 and name CB) 3.46 0.10 0.10 !N37N-D36CB
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CB) 2.46 0.18 0.18 !D40N-CB
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  40 and name CB) 3.64 0.46 0.46 !G41N-D40CB
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  46 and name CB) 2.48 0.22 0.22 !D46N-CB
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  46 and name CB) 3.90 0.10 0.10 !D47N-D46CB
!violates calc1
!assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  47 and name CB) 4.32 0.18 0.18 !A48N-D47CB
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  47 and name CB) 4.32 1.18 1.18 !A48N-D47CB
!violates calc4
!assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  47 and name CB) 3.00 0.17 0.17 !D47N-CB
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  47 and name CB) 3.00 1.17 1.17 !D47N-CB
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  15 and name CB) 2.50 0.18 0.18 !E15N-CB
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  27 and name CB) 2.42 0.11 0.11 !E27N-CB
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  27 and name CB) 3.20 0.10 0.10 !K28N-E27CB
assign (segid "GB1E" and resid  42 and name  N)(segid "GB1E" and resid  42 and name CB) 2.51 0.14 0.14 !E42N-CB
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  42 and name CB) 3.41 0.29 0.29 !W43N-E42CB
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  56 and name CB) 2.45 0.10 0.10 !E56N-CB
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CB) 2.50 0.32 0.32 !I6N-CB
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   6 and name CB) 3.50 0.10 0.10 !L7N-I6CB
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   6 and name CB) 5.72 0.10 0.10 !V54N-I6CB
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CB) 2.38 0.10 0.10 !K10N-CB
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CB) 3.37 0.10 0.10 !T11N-K10CB
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  13 and name CB) 3.21 0.31 0.31 !G14N-K13CB
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CB) 2.41 0.36 0.36 !K13N-CB
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CB) 2.41 0.10 0.10 !K28N-CB
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  28 and name CB) 3.15 0.14 0.14 !V29N-K28CB
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  31 and name CB) 2.35 0.10 0.10 !K31N-CB
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CB) 2.42 0.10 0.10 !K4N-CB
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   4 and name CB) 3.34 0.12 0.12 !L5N-K4CB
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CB) 2.43 0.10 0.10 !K50N-CB
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CB) 4.66 0.53 0.53 !K50NZ-CB
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  50 and name CB) 4.15 1.07 1.07 !T51N-K50CB
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  12 and name CB) 2.38 0.10 0.10 !L12N-CB
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   7 and name CB) 4.01 1.04 1.04 !G14N-L7CB
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CB) 2.45 0.34 0.34 !L7N-CB
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   7 and name CB) 3.67 0.20 0.20 !N8N-L7CB
!intermoleduclar
!assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid   1 and name CB) 4.87 1.08 1.08 !K31NZ-M1CB
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   1 and name CB) 3.34 0.23 0.23 !Q2N-M1CB
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  35 and name CB) 3.15 0.13 0.13 !D36N-N35CB
assign (segid "GB1E" and resid  35 and name  N)(segid "GB1E" and resid  35 and name CB) 2.42 0.10 0.10 !N35N-CB
!violates calc1
!assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CB) 3.74 0.10 0.10 !N35ND2-CB
assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CB) 3.74 1.10 1.10 !N35ND2-CB
!violates calc5
!assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  37 and name CB) 3.88 0.10 0.10 !G38N-N37CB
assign (segid "GB1E" and resid  38 and name  N)(segid "GB1E" and resid  37 and name CB) 3.88 1.10 1.10 !G38N-N37CB
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  37 and name CB) 2.27 0.10 0.10 !N37N-CB
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  37 and name CB) 2.58 0.11 0.11 !N37ND2-CB
assign (segid "GB1E" and resid  32 and name  N)(segid "GB1E" and resid  32 and name CB) 2.24 0.12 0.12 !Q32N-CB
assign (segid "GB1E" and resid  32 and name NE2)(segid "GB1E" and resid  32 and name CB) 3.91 0.37 0.37 !Q32NE2-CB
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  11 and name CB) 3.58 0.10 0.10 !L12N-T11CB
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  11 and name CB) 2.50 0.10 0.10 !T11N-CB
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  16 and name CB) 2.43 0.13 0.13 !T16N-CB
assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  16 and name CB) 3.24 0.10 0.10 !T17N-T16CB
assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  17 and name CB) 2.15 0.56 0.56 !T17N-CB
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  18 and name CB) 3.26 0.10 0.10 !E19N-T18CB
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid  18 and name CB) 2.46 0.10 0.10 !T18N-CB
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  25 and name CB) 3.48 0.43 0.43 !A26N-T25CB
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  25 and name CB) 2.44 0.15 0.15 !T25N-CB
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  44 and name CB) 2.45 0.10 0.10 !T44N-CB
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  44 and name CB) 4.79 0.59 0.59 !T53N-T44CB
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  44 and name CB) 3.31 0.10 0.10 !Y45N-T44CB
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  49 and name CB) 3.84 0.10 0.10 !K50N-T49CB
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  49 and name CB) 2.45 0.10 0.10 !T49N-CB
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  49 and name CB) 4.81 0.56 0.56 !T51N-T49CB
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  51 and name CB) 5.28 3.00 3.00 !D46N-T51CB
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  51 and name CB) 3.63 0.27 0.27 !F52N-T51CB
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  51 and name CB) 5.51 0.79 0.79 !K50N-T51CB
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  51 and name CB) 5.95 1.79 1.79 !T49N-T51CB
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  51 and name CB) 2.47 0.10 0.10 !T51N-CB
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CB) 3.66 0.10 0.10 !E56N-T55CB
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  55 and name CB) 2.48 0.15 0.15 !T55N-CB
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  21 and name CB) 2.43 0.10 0.10 !V21N-CB
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  15 and name CD) 3.71 0.10 0.10 !E15N-CD
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid  15 and name CD) 5.76 0.10 0.10 !I6N-E15CD
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid  15 and name CD) 5.62 0.10 0.10 !L7N-E15CD
!intermoleduclar
!assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  15 and name CD) 4.63 0.10 0.10 !W43N-E15CD
!intermoleduclar
!assign (segid "GB1E" and resid  42 and name  N)(segid "GB1E" and resid  15 and name CD) 4.03 0.10 0.10 !E42N-E15CD
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid  15 and name CD) 3.71 0.10 0.10 !K4NZ-E15CD
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CD) 4.24 3.24 6.87 !T16N-E15CD
!violates calc1
!assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  19 and name CD) 3.60 0.10 0.10 !E19N-CD
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  19 and name CD) 3.60 1.10 1.10 !E19N-CD
!intermoleduclar
!assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  19 and name CD) 6.40 5.40 7.08 !K13NZ-E19CD
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid  19 and name CD) 4.14 0.24 0.24 !M1N-E19CD
assign (segid "GB1E" and resid   2 and name NE2)(segid "GB1E" and resid  19 and name CD) 5.53 0.25 0.25 !Q2NE2-E19CD
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid  19 and name CD) 6.86 0.35 0.35 !T18N-E19CD
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid  19 and name CD) 7.08 0.35 0.35 !Y3N-E19CD
assign (segid "GB1E" and resid  26 and name  N)(segid "GB1E" and resid  27 and name CD) 6.21 0.10 0.10 !A26N-E27CD
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  27 and name CD) 4.94 0.10 0.10 !E27N-CD
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  27 and name CD) 4.25 0.10 0.10 !K28N-E27CD
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  27 and name CD) 4.00 0.10 0.10 !K31NZ-E27CD
!intermoleduclar
!assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid  27 and name CD) 3.45 2.45 6.61 !M1N-E27CD
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  56 and name CD) 3.42 0.20 0.20 !D40N-E56CD
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  56 and name CD) 4.89 1.06 1.06 !G9N-E56CD
assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  56 and name CD) 5.69 4.69 6.56 !K10NZ-E56CD
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  56 and name CD) 5.45 0.99 0.99 !T11N-E56CD
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  56 and name CD) 4.83 0.74 0.74 !V39N-E56CD
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  56 and name CD) 4.50 0.30 0.30 !G41N-E56CD
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  56 and name CD) 3.60 0.13 0.13 !K10N-E56CD
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  56 and name CD) 7.18 6.18 6.68 !K13NZ-E56CD
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  56 and name CD) 6.50 2.64 2.64 !T55N-E56CD
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.91 1.03 1.03 !E15N-I6CD1
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CD1) 3.62 0.33 0.33 !I6N-CD1
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   6 and name CD1) 4.55 3.55 6.27 !L7N-I6CD1
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.35 3.54 3.54 !T53N-I6CD1
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.65 0.64 0.64 !F52N-I6CD1
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   6 and name CD1) 6.89 1.83 1.83 !K4N-I6CD1
assign (segid "GB1E" and resid   8 and name  N)(segid "GB1E" and resid   6 and name CD1) 7.30 3.14 3.14 !N8N-I6CD1
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   6 and name CD1) 6.82 1.69 1.69 !V54N-I6CD1
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid   6 and name CD1) 7.30 1.98 1.98 !G14N-I6CD1
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid   6 and name CD1) 5.05 0.44 0.44 !K4NZ-I6CD1
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   6 and name CD1) 5.91 1.03 1.03 !T16N-I6CD1
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CD) 4.31 0.10 0.10 !K10N-CD
!violates calc2
!assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CD) 3.52 0.27 0.27 !K10NZ-CD
assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CD) 3.52 1.27 1.27 !K10NZ-CD
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CD) 6.28 1.69 1.69 !T11N-K10CD
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CD) 3.87 0.40 0.40 !K13N-CD
!violates calc4
!assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CD) 2.91 0.10 0.10 !K13NZ-CD
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CD) 2.91 1.10 1.10 !K13NZ-CD
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  28 and name CD) 5.96 1.11 1.11 !E27N-K28CD
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CD) 4.58 0.10 0.10 !K28N-CD
!violates calc1
!assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  28 and name CD) 3.29 0.10 0.10 !K28NZ-CD
assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  28 and name CD) 3.29 1.10 1.10 !K28NZ-CD
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  31 and name CD) 2.32 0.10 0.10 !K31NZ-CD
!violates calc1
!assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid   4 and name CD) 3.25 0.10 0.10 !K4NZ-CD
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid   4 and name CD) 3.25 1.10 1.10 !K4NZ-CD
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   4 and name CD) 5.25 4.25 6.61 !L5N-K4CD
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CD) 3.40 0.10 0.10 !K50N-CD
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CD) 2.63 0.10 0.10 !K50NZ-CD
!violates calc4
!assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  12 and name CD2) 3.43 0.10 0.10 !K13N-L12CD2
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  12 and name CD2) 3.43 1.10 1.10 !K13N-L12CD2
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  12 and name CD2) 4.50 0.17 0.17 !L12N-CD2
!intermoleduclar
!assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  12 and name CD2) 4.41 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   5 and name CD2) 3.19 2.19 4.74 !I6N-L5CD2
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   5 and name CD2) 3.70 0.10 0.10 !T53N-L5CD2
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid   5 and name CD2) 3.67 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   7 and name CD1) 5.02 0.10 0.10 !E15N-L7CD1
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid   7 and name CD1) 5.02 1.10 1.10 !E15N-L7CD1
!violates calc4
!assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CD1) 3.48 0.10 0.10 !L7N-CD1
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CD1) 3.48 1.10 1.10 !L7N-CD1
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid   7 and name CD1) 4.31 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CD2) 3.53 0.12 0.12 !L7N-CD2
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   7 and name CD2) 3.53 1.12 1.12 !L7N-CD2
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   2 and name CD) 5.18 0.82 0.82 !Q2N-CD
!violates calc4
!assign (segid "GB1E" and resid   2 and name NE2)(segid "GB1E" and resid   2 and name CD) 1.75 0.10 0.10 !Q2NE2-CD
assign (segid "GB1E" and resid   2 and name NE2)(segid "GB1E" and resid   2 and name CD) 1.75 0.75 1.10 !Q2NE2-CD
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid   2 and name CD) 6.62 5.62 7.17 !T18N-Q2CD
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  43 and name CD1) 3.70 0.39 0.39 !W43N-CD1
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  43 and name CD1) 1.46 0.10 0.10 !W43NE1-CD1
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  43 and name CD2) 5.28 1.38 1.38 !K31NZ-W43CD2
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  43 and name CD2) 5.02 3.05 3.05 !W43N-CD2
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  43 and name CD2) 2.26 0.10 0.10 !W43NE1-CD2
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  10 and name CE) 5.48 1.21 1.21 !D40N-K10CE
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CE) 4.66 0.43 0.43 !K10N-CE
assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CE) 1.58 0.10 0.10 !K10NZ-CE
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  13 and name CE) 3.65 0.38 0.38 !G9N-K13CE
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  13 and name CE) 4.19 0.67 0.67 !K10N-K13CE
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CE) 1.57 0.10 0.10 !K13NZ-CE
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  13 and name CE) 4.36 0.67 0.67 !T11N-K13CE
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  28 and name CE) 6.61 5.61 5.86 !E27N-K28CE
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CE) 5.95 2.09 2.09 !K28N-CE
assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  28 and name CE) 1.87 0.10 0.10 !K28NZ-CE
!violates cacl4
!assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  31 and name CE) 1.90 0.10 0.10 !K31NZ-CE
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  31 and name CE) 1.90 0.90 1.10 !K31NZ-CE
!violates calc1
!assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CE) 2.20 0.10 0.10 !K50NZ-CE
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid  50 and name CE) 2.20 1.10 1.10 !K50NZ-CE
!intermoleduclar
!assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid   1 and name CE) 3.34 0.10 0.10 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid   1 and name CE) 4.32 0.10 0.10 !K31N-M1CE
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   1 and name CE) 4.06 3.06 6.00 !Q2N-M1CE
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  43 and name CZ2) 4.49 0.25 0.25 !K31N-W43CZ2
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  43 and name CZ2) 2.52 0.17 0.17 !W43NE1-CZ2
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  43 and name CZ3) 4.53 0.10 0.10 !K31N-W43CZ3
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  43 and name CZ3) 6.04 0.10 0.10 !T44N-W43CZ3
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid  43 and name CZ3) 4.55 0.10 0.10 !V54N-W43CZ3
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  43 and name CZ3) 4.10 0.10 0.10 !W43NE1-CZ3
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  43 and name CZ3) 6.38 0.10 0.10 !K31NZ-W43CZ3
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  43 and name CZ3) 4.90 3.90 6.38 !T53N-W43CZ3
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  43 and name CZ3) 6.02 0.10 0.10 !W43N-CZ3
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  36 and name CG) 2.56 0.10 0.10 !D36N-CG
!violates calc4
!assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CG) 4.51 0.32 0.32 !D40N-CG
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  40 and name CG) 4.51 1.32 1.32 !D40N-CG
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  40 and name CG) 4.23 0.15 0.15 !G41N-D40CG
assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  40 and name CG) 5.99 4.99 4.99 !K10NZ-D40CG
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  40 and name CG) 6.60 0.16 0.16 !V39N-D40CG
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  46 and name CG) 3.42 0.10 0.10 !A48N-D46CG
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  46 and name CG) 3.53 0.19 0.19 !D46N-CG
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  46 and name CG) 3.24 0.10 0.10 !D47N-D46CG
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  46 and name CG) 3.67 0.10 0.10 !T49N-D46CG
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  47 and name CG) 3.76 0.51 0.51 !D47N-CG
!intermoleduclar
!assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  47 and name CG) 6.65 5.64 5.64 !L12N-D47CG
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  15 and name CG) 2.49 1.49 6.12 !E15N-CG
!violates calc1
!assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CG) 3.47 0.10 0.10 !T16N-E15CG
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  15 and name CG) 3.47 1.10 1.10 !T16N-E15CG
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  56 and name CG) 2.48 0.25 0.25 !E56N-CG
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  56 and name CG) 5.41 1.40 1.40 !G41N-E56CG
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  56 and name CG) 5.07 1.34 1.34 !G9N-E56CG
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  56 and name CG) 3.86 0.16 0.16 !K10N-E56CG
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  56 and name CG) 6.02 4.84 4.84 !T55N-E56CG
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  30 and name CG) 5.86 1.46 1.46 !A34N-F30CG
assign (segid "GB1E" and resid  27 and name  N)(segid "GB1E" and resid  30 and name CG) 4.82 0.34 0.34 !E27N-F30CG
assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  30 and name CG) 2.99 0.10 0.10 !F30N-CG
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  30 and name CG) 4.42 0.10 0.10 !K31N-F30CG
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid  30 and name CG) 5.68 0.62 0.62 !L5N-F30CG
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  52 and name CG) 2.71 0.14 0.14 !F52N-CG
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  52 and name CG) 5.25 1.11 1.11 !D46N-F52CG
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid  52 and name CG) 6.05 1.49 1.49 !K4N-F52CG
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  52 and name CG) 5.72 1.15 1.15 !Y45N-F52CG
!violates calc1
!assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   6 and name CG1) 3.04 0.10 0.10 !T53N-I6CG1
!violates calc2 removed
!assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid   6 and name CG1) 3.04 1.10 1.10 !T53N-I6CG1
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid   6 and name CG2) 3.97 0.30 0.30 !I6N-CG2
assign (segid "GB1E" and resid   7 and name  N)(segid "GB1E" and resid   6 and name CG2) 3.54 0.10 0.10 !L7N-I6CG2
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  10 and name CG) 6.40 0.12 0.12 !E56N-K10CG
!violates calc4
!assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CG) 3.45 0.10 0.10 !K10N-CG
assign (segid "GB1E" and resid  10 and name  N)(segid "GB1E" and resid  10 and name CG) 3.45 1.10 1.10 !K10N-CG
!violates calc1
!assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CG) 5.95 0.12 0.12 !K10NZ-CG
!violates calc2 removed
!assign (segid "GB1E" and resid  10 and name NZ)(segid "GB1E" and resid  10 and name CG) 5.95 1.12 1.12 !K10NZ-CG
!violates calc4
!assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  10 and name CG) 5.88 0.12 0.12 !L12N-K10CG
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  10 and name CG) 5.88 1.12 1.12 !L12N-K10CG
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  10 and name CG) 4.72 3.72 4.74 !T11N-K10CG
assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  13 and name CG) 4.60 0.10 0.10 !G14N-K13CG
assign (segid "GB1E" and resid  13 and name  N)(segid "GB1E" and resid  13 and name CG) 3.22 0.10 0.10 !K13N-CG
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  13 and name CG) 4.92 2.73 2.73 !G9N-K13CG
!violates calc4
!assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CG) 3.61 0.10 0.10 !K13NZ-CG
assign (segid "GB1E" and resid  13 and name NZ)(segid "GB1E" and resid  13 and name CG) 3.61 1.10 1.10 !K13NZ-CG
assign (segid "GB1E" and resid  28 and name  N)(segid "GB1E" and resid  28 and name CG) 3.14 0.28 0.28 !K28N-CG
assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  28 and name CG) 4.19 0.28 0.28 !K28NZ-CG
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  28 and name CG) 4.41 0.30 0.30 !V29N-K28CG
assign (segid "GB1E" and resid  31 and name  N)(segid "GB1E" and resid  31 and name CG) 2.92 1.92 7.39 !K31N-CG
assign (segid "GB1E" and resid  31 and name NZ)(segid "GB1E" and resid  31 and name CG) 3.76 0.10 0.10 !K31NZ-CG
assign (segid "GB1E" and resid  43 and name NE1)(segid "GB1E" and resid  31 and name CG) 4.40 0.10 0.10 !W43NE1-K31CG
!violates calc1
!assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CG) 3.10 0.10 0.10 !K4N-CG
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   4 and name CG) 3.10 1.10 1.10 !K4N-CG
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  50 and name CG) 2.91 0.58 0.58 !K50N-CG
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  50 and name CG) 4.88 0.90 0.90 !T49N-K50CG
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  50 and name CG) 4.96 0.35 0.35 !T51N-K50CG
!violates calc1
!assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   5 and name CG) 3.05 0.10 0.10 !L5N-CG
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid   5 and name CG) 3.05 1.10 1.10 !L5N-CG
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid   1 and name CG) 3.74 0.20 0.20 !M1N-CG
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   1 and name CG) 2.86 0.10 0.10 !Q2N-M1CG
!violates calc4
!assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CG) 1.88 0.10 0.10 !N35ND2-CG
assign (segid "GB1E" and resid  35 and name ND2)(segid "GB1E" and resid  35 and name CG) 1.88 0.88 1.10 !N35ND2-CG
assign (segid "GB1E" and resid  36 and name  N)(segid "GB1E" and resid  37 and name CG) 5.05 2.33 2.33 !D36N-N37CG
!violates calc4
!assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  37 and name CG) 2.40 0.21 0.21 !N37N-CG
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  37 and name CG) 2.40 1.21 1.21 !N37N-CG
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  37 and name CG) 1.51 0.10 0.10 !N37ND2-CG
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  37 and name CG) 6.32 4.88 4.88 !V39N-N37CG
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid   8 and name CG) 1.43 0.10 0.10 !N8ND2-CG
!intermoleduclar
!assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  11 and name CG2) 4.65 0.41 0.41 !A48N-T11CG2
!intermoleduclar
!assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  11 and name CG2) 5.30 4.30 6.41 !D47N-T11CG2
assign (segid "GB1E" and resid  12 and name  N)(segid "GB1E" and resid  11 and name CG2) 4.94 0.21 0.21 !L12N-T11CG2
assign (segid "GB1E" and resid  11 and name  N)(segid "GB1E" and resid  11 and name CG2) 3.29 0.28 0.28 !T11N-CG2
assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  16 and name CG2) 6.35 0.96 0.96 !E15N-T16CG2
!violates calc4
!assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid  16 and name CG2) 5.18 0.26 0.26 !L5N-T16CG2
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid  16 and name CG2) 5.18 1.26 1.26 !L5N-T16CG2
assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  16 and name CG2) 3.53 0.23 0.23 !T16N-CG2
assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  16 and name CG2) 3.90 0.10 0.10 !T17N-T16CG2
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  17 and name CG2) 5.45 0.10 0.10 !E19N-T17CG2
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid  17 and name CG2) 6.12 0.10 0.10 !K4NZ-T17CG2
assign (segid "GB1E" and resid   2 and name NE2)(segid "GB1E" and resid  17 and name CG2) 4.96 0.10 0.10 !Q2NE2-T17CG2
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid  17 and name CG2) 4.90 3.90 6.33 !K4N-T17CG2
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid  17 and name CG2) 5.46 0.10 0.10 !L5N-T17CG2
!violates calc4
!assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  17 and name CG2) 3.17 0.10 0.10 !T17N-CG2
assign (segid "GB1E" and resid  17 and name  N)(segid "GB1E" and resid  17 and name CG2) 3.17 1.10 1.10 !T17N-CG2
assign (segid "GB1E" and resid  19 and name  N)(segid "GB1E" and resid  18 and name CG2) 3.63 0.10 0.10 !E19N-T18CG2
assign (segid "GB1E" and resid   5 and name  N)(segid "GB1E" and resid  18 and name CG2) 6.15 1.88 1.88 !L5N-T18CG2
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid  18 and name CG2) 3.30 0.10 0.10 !T18N-CG2
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid  18 and name CG2) 4.77 0.35 0.35 !Y3N-T18CG2
assign (segid "GB1E" and resid  22 and name  N)(segid "GB1E" and resid  25 and name CG2) 4.41 3.41 5.78 !D22N-T25CG2
assign (segid "GB1E" and resid  28 and name NZ)(segid "GB1E" and resid  25 and name CG2) 6.07 0.10 0.10 !K28NZ-T25CG2
assign (segid "GB1E" and resid  25 and name  N)(segid "GB1E" and resid  25 and name CG2) 3.51 0.10 0.10 !T25N-CG2
assign (segid "GB1E" and resid  21 and name  N)(segid "GB1E" and resid  25 and name CG2) 4.38 0.10 0.10 !V21N-T25CG2
!intermoleduclar
!assign (segid "GB1E" and resid  15 and name  N)(segid "GB1E" and resid  44 and name CG2) 4.22 0.24 0.24 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1E" and resid  14 and name  N)(segid "GB1E" and resid  44 and name CG2) 5.23 0.98 0.98 !G14N-T44CG2
!intermoleduclar
!assign (segid "GB1E" and resid  16 and name  N)(segid "GB1E" and resid  44 and name CG2) 5.26 1.14 1.14 !T16N-T44CG2
assign (segid "GB1E" and resid  44 and name  N)(segid "GB1E" and resid  44 and name CG2) 3.01 0.96 0.96 !T44N-CG2
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  44 and name CG2) 3.66 0.10 0.10 !T53N-T44CG2
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  44 and name CG2) 5.42 4.42 6.68 !W43N-T44CG2
assign (segid "GB1E" and resid  48 and name  N)(segid "GB1E" and resid  49 and name CG2) 5.29 0.38 0.38 !A48N-T49CG2
assign (segid "GB1E" and resid  50 and name  N)(segid "GB1E" and resid  49 and name CG2) 5.55 0.64 0.64 !K50N-T49CG2
assign (segid "GB1E" and resid  49 and name  N)(segid "GB1E" and resid  49 and name CG2) 3.38 0.10 0.10 !T49N-CG2
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  49 and name CG2) 7.41 6.41 6.75 !T51N-T49CG2
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  51 and name CG2) 3.37 0.10 0.10 !F52N-T51CG2
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid  51 and name CG2) 5.58 0.51 0.51 !K4N-T51CG2
assign (segid "GB1E" and resid   4 and name NZ)(segid "GB1E" and resid  51 and name CG2) 6.40 1.66 1.66 !K4NZ-T51CG2
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  51 and name CG2) 4.02 0.12 0.12 !T51N-CG2
!violates calc1
!assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid  53 and name CG2) 3.39 0.10 0.10 !I6N-T53CG2
assign (segid "GB1E" and resid   6 and name  N)(segid "GB1E" and resid  53 and name CG2) 3.39 1.10 1.10 !I6N-T53CG2
assign (segid "GB1E" and resid  53 and name  N)(segid "GB1E" and resid  53 and name CG2) 3.12 0.12 0.12 !T53N-CG2
!violates calc6
!assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CG2) 3.47 0.10 0.10 !E56N-T55CG2
assign (segid "GB1E" and resid  56 and name  N)(segid "GB1E" and resid  55 and name CG2) 3.47 1.10 1.10 !E56N-T55CG2
assign (segid "GB1E" and resid   8 and name ND2)(segid "GB1E" and resid  55 and name CG2) 4.39 3.39 7.09 !N8ND2-T55CG2
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  55 and name CG2) 3.46 0.10 0.10 !T55N-CG2
assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  55 and name CG2) 5.72 0.10 0.10 !W43N-T55CG2
assign (segid "GB1E" and resid  30 and name  N)(segid "GB1E" and resid  29 and name CG1) 3.57 0.24 0.24 !F30N-V29CG1
assign (segid "GB1E" and resid  29 and name  N)(segid "GB1E" and resid  29 and name CG2) 2.75 0.50 0.50 !V29N-CG2
!violates calc4
!assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  39 and name CG1) 3.81 0.10 0.10 !D40N-V39CG1
assign (segid "GB1E" and resid  40 and name  N)(segid "GB1E" and resid  39 and name CG1) 3.81 1.10 1.10 !D40N-V39CG1
assign (segid "GB1E" and resid   9 and name  N)(segid "GB1E" and resid  39 and name CG1) 5.67 0.10 0.10 !G9N-V39CG1
assign (segid "GB1E" and resid  39 and name  N)(segid "GB1E" and resid  39 and name CG1) 3.11 0.34 0.34 !V39N-CG1
assign (segid "GB1E" and resid  55 and name  N)(segid "GB1E" and resid  54 and name CG1) 4.20 0.10 0.10 !T55N-V54CG1
assign (segid "GB1E" and resid  54 and name  N)(segid "GB1E" and resid  54 and name CG1) 3.18 2.18 6.39 !V54N-CG1
!violates calc1
!assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  54 and name CG1) 4.90 0.10 0.10 !W43N-V54CG1
!violates again calc4 removed
!assign (segid "GB1E" and resid  43 and name  N)(segid "GB1E" and resid  54 and name CG1) 4.90 1.10 1.10 !W43N-V54CG1
assign (segid "GB1E" and resid  41 and name  N)(segid "GB1E" and resid  54 and name CG2) 2.93 0.10 0.10 !G41N-V54CG2
assign (segid "GB1E" and resid  34 and name  N)(segid "GB1E" and resid  33 and name CG) 3.35 0.10 0.10 !A34N-Y33CG
assign (segid "GB1E" and resid  37 and name  N)(segid "GB1E" and resid  33 and name CG) 5.27 0.11 0.11 !N37N-Y33CG
!violates calc6
!assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  33 and name CG) 3.86 0.10 0.10 !N37ND2-Y33CG
assign (segid "GB1E" and resid  37 and name ND2)(segid "GB1E" and resid  33 and name CG) 3.86 1.10 1.10 !N37ND2-Y33CG
assign (segid "GB1E" and resid  33 and name  N)(segid "GB1E" and resid  33 and name CG) 3.47 0.10 0.10 !Y33N-CG
assign (segid "GB1E" and resid   4 and name  N)(segid "GB1E" and resid   3 and name CG) 4.15 0.27 0.27 !K4N-Y3CG
assign (segid "GB1E" and resid   1 and name  N)(segid "GB1E" and resid   3 and name CG) 6.34 3.28 3.28 !M1N-Y3CG
assign (segid "GB1E" and resid  18 and name  N)(segid "GB1E" and resid   3 and name CG) 5.56 1.21 1.21 !T18N-Y3CG
assign (segid "GB1E" and resid   3 and name  N)(segid "GB1E" and resid   3 and name CG) 3.07 0.34 0.34 !Y3N-CG
assign (segid "GB1E" and resid  50 and name NZ)(segid "GB1E" and resid   3 and name CG) 6.69 5.69 6.95 !K50NZ-Y3CG
assign (segid "GB1E" and resid   2 and name  N)(segid "GB1E" and resid   3 and name CG) 4.65 0.48 0.48 !Q2N-Y3CG
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid   3 and name CG) 6.08 2.37 2.37 !T51N-Y3CG
assign (segid "GB1E" and resid  46 and name  N)(segid "GB1E" and resid  45 and name CG) 3.27 0.10 0.10 !D46N-Y45CG
assign (segid "GB1E" and resid  47 and name  N)(segid "GB1E" and resid  45 and name CG) 4.19 0.10 0.10 !D47N-Y45CG
assign (segid "GB1E" and resid  52 and name  N)(segid "GB1E" and resid  45 and name CG) 4.93 0.52 0.52 !F52N-Y45CG
assign (segid "GB1E" and resid  51 and name  N)(segid "GB1E" and resid  45 and name CG) 5.08 0.55 0.55 !T51N-Y45CG
assign (segid "GB1E" and resid  45 and name  N)(segid "GB1E" and resid  45 and name CG) 3.67 0.29 0.29 !Y45N-CG

! Intramolecular Restraints

assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  20 and name CA) 2.10 0.13 0.13 !V21N-A20CA
assign (segid "GB1F" and resid  24 and name  N)(segid "GB1F" and resid  24 and name CA) 1.51 0.10 0.10 !A24N-CA
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  24 and name CA) 2.90 0.20 0.20 !T25N-A24CA
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  34 and name CA) 1.51 0.10 0.10 !A34N-CA
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  34 and name CA) 2.81 0.10 0.10 !N35N-A34CA
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  48 and name CA) 1.50 0.10 0.10 !A48N-CA
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  48 and name CA) 2.81 0.18 0.18 !T49N-A48CA
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  22 and name CA) 2.60 0.18 0.18 !A23N-D22CA
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  22 and name CA) 1.46 0.10 0.10 !D22N-CA
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  36 and name CA) 1.45 0.10 0.10 !D36N-CA
!violates cacl4 
!assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  36 and name CA) 2.94 0.18 0.18 !N37N-D36CA
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  36 and name CA) 2.94 1.18 1.18 !N37N-D36CA
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CA) 1.50 0.10 0.10 !D40N-CA
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  40 and name CA) 2.62 0.10 0.10 !G41N-D40CA
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  46 and name CA) 1.44 0.10 0.10 !D46N-CA
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  46 and name CA) 2.76 0.19 0.19 !D47N-D46CA
!violates cacl4
!assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  47 and name CA) 3.48 0.65 0.65 !A48N-D47CA
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  47 and name CA) 3.48 1.65 1.65 !A48N-D47CA
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  47 and name CA) 1.51 0.10 0.10 !D47N-CA
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  15 and name CA) 1.46 0.10 0.10 !E15N-CA
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CA) 2.62 0.15 0.15 !T16N-E15CA
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  19 and name CA) 1.47 0.10 0.10 !E19N-CA
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  27 and name CA) 1.48 0.10 0.10 !E27N-CA
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  27 and name CA) 2.53 0.13 0.13 !K28N-E27CA
assign (segid "GB1F" and resid  42 and name  N)(segid "GB1F" and resid  42 and name CA) 1.42 0.10 0.10 !E42N-CA
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  42 and name CA) 2.61 0.20 0.20 !W43N-E42CA
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  56 and name CA) 1.44 0.10 0.10 !E56N-CA
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  14 and name CA) 2.81 0.22 0.22 !E15N-G14CA
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  14 and name CA) 1.44 0.10 0.10 !G14N-CA
assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  38 and name CA) 1.49 0.10 0.10 !G38N-CA
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  38 and name CA) 2.53 0.12 0.12 !V39N-G38CA
assign (segid "GB1F" and resid  42 and name  N)(segid "GB1F" and resid  41 and name CA) 2.68 0.14 0.14 !E42N-G41CA
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  41 and name CA) 1.46 0.10 0.10 !G41N-CA
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid   9 and name CA) 1.42 0.10 0.10 !G9N-CA
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid   9 and name CA) 2.48 0.10 0.10 !K10N-G9CA
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CA) 1.44 0.10 0.10 !I6N-CA
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   6 and name CA) 2.21 0.10 0.10 !L7N-I6CA
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CA) 2.47 0.10 0.10 !T11N-K10CA
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  13 and name CA) 2.51 0.10 0.10 !G14N-K13CA
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CA) 1.46 0.10 0.10 !K13N-CA
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CA) 1.47 0.10 0.10 !K28N-CA
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  28 and name CA) 2.29 0.10 0.10 !V29N-K28CA
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  31 and name CA) 1.47 0.10 0.10 !K31N-CA
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CA) 1.43 0.10 0.10 !K4N-CA
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CA) 1.42 0.10 0.10 !K50N-CA
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  12 and name CA) 1.43 0.10 0.10 !L12N-CA
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  12 and name CA) 5.07 1.94 1.94 !T11N-L12CA
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   5 and name CA) 1.42 0.10 0.10 !L5N-CA
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   7 and name CA) 5.10 4.10 6.34 !G14N-L7CA
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid   7 and name CA) 5.32 4.32 6.66 !G9N-L7CA
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CA) 1.45 0.12 0.12 !L7N-CA
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   7 and name CA) 2.56 0.10 0.10 !N8N-L7CA
!violates calc4
!assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   7 and name CA) 3.85 0.86 0.86 !V54N-L7CA
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   7 and name CA) 3.85 1.86 1.86 !V54N-L7CA
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid   1 and name CA) 1.48 0.10 0.10 !M1N-CA
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  35 and name CA) 3.57 0.58 0.58 !A34N-N35CA
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  35 and name CA) 2.59 0.15 0.15 !D36N-N35CA
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  35 and name CA) 1.47 0.10 0.10 !N35N-CA
assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  37 and name CA) 2.74 0.18 0.18 !G38N-N37CA
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid   8 and name CA) 2.55 0.13 0.13 !G9N-N8CA
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   2 and name CA) 1.44 0.10 0.10 !Q2N-CA
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid   2 and name CA) 2.55 0.11 0.11 !Y3N-Q2CA
assign (segid "GB1F" and resid  32 and name  N)(segid "GB1F" and resid  32 and name CA) 1.42 0.10 0.10 !Q32N-CA
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  11 and name CA) 2.58 0.13 0.13 !L12N-T11CA
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  11 and name CA) 1.45 0.10 0.10 !T11N-CA
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  18 and name CA) 2.64 0.15 0.15 !E19N-T18CA
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid  18 and name CA) 1.43 0.10 0.10 !T18N-CA
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  25 and name CA) 2.73 0.21 0.21 !A26N-T25CA
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  25 and name CA) 1.44 0.10 0.10 !T25N-CA
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  44 and name CA) 1.45 0.10 0.10 !T44N-CA
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  44 and name CA) 2.58 1.58 5.09 !Y45N-T44CA
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  51 and name CA) 2.71 0.16 0.16 !F52N-T51CA
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  51 and name CA) 1.45 0.10 0.10 !T51N-CA
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  53 and name CA) 1.49 0.10 0.10 !T53N-CA
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CA) 2.66 0.16 0.16 !E56N-T55CA
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  55 and name CA) 1.43 0.10 0.10 !T55N-CA
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  29 and name CA) 1.49 0.10 0.10 !V29N-CA
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  39 and name CA) 2.35 0.11 0.11 !D40N-V39CA
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  39 and name CA) 1.43 0.10 0.10 !V39N-CA
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  54 and name CA) 2.66 0.15 0.15 !T55N-V54CA
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid  54 and name CA) 1.45 0.10 0.10 !V54N-CA
assign (segid "GB1F" and resid  20 and name  N)(segid "GB1F" and resid  20 and name CB) 2.46 0.10 0.10 !A20N-CB
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  20 and name CB) 4.43 0.10 0.10 !A26N-A20CB
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid  20 and name CB) 6.16 3.33 3.33 !M1N-A20CB
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  20 and name CB) 3.27 0.10 0.10 !V21N-A20CB
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  23 and name CB) 2.49 0.15 0.15 !A23N-CB
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  23 and name CB) 6.58 2.81 2.81 !K50NZ-A23CB
assign (segid "GB1F" and resid  24 and name  N)(segid "GB1F" and resid  24 and name CB) 2.75 0.23 0.23 !A24N-CB
assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  24 and name CB) 6.94 5.94 7.30 !K28NZ-A24CB
!violates calc4
!assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  24 and name CB) 3.82 0.10 0.10 !T25N-A24CB
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  24 and name CB) 3.82 1.10 1.10 !T25N-A24CB
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  26 and name CB) 6.01 2.10 2.10 !A23N-A26CB
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  26 and name CB) 2.46 0.10 0.10 !A26N-CB
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  26 and name CB) 3.34 0.10 0.10 !E27N-A26CB
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  26 and name CB) 5.74 4.74 6.86 !K28N-A26CB
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  34 and name CB) 2.44 0.10 0.10 !A34N-CB
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  34 and name CB) 5.30 1.79 1.79 !G41N-A34CB
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  34 and name CB) 3.29 0.10 0.10 !N35N-A34CB
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  34 and name CB) 4.46 0.86 0.86 !V39N-A34CB
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  34 and name CB) 5.90 3.20 3.20 !W43NE1-A34CB
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  48 and name CB) 2.50 0.10 0.10 !A48N-CB
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  48 and name CB) 5.36 1.05 1.05 !D47N-A48CB
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  48 and name CB) 6.83 0.86 0.86 !K50NZ-A48CB
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  48 and name CB) 3.39 0.20 0.20 !T49N-A48CB
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  22 and name CB) 2.93 0.10 0.10 !A23N-D22CB
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  22 and name CB) 2.52 0.10 0.10 !D22N-CB
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  36 and name CB) 2.41 0.10 0.10 !D36N-CB
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  36 and name CB) 3.38 0.30 0.30 !N37N-D36CB
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  36 and name CB) 5.05 1.82 1.82 !N37ND2-D36CB
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CB) 2.51 0.10 0.10 !D40N-CB
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  40 and name CB) 3.60 0.17 0.17 !G41N-D40CB
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  46 and name CB) 2.46 0.10 0.10 !D46N-CB
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  47 and name CB) 3.70 0.50 0.50 !A48N-D47CB
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  47 and name CB) 2.46 0.38 0.38 !D47N-CB
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  15 and name CB) 2.95 0.59 0.59 !E15N-CB
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CB) 2.81 0.29 0.29 !T16N-E15CB
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  27 and name CB) 2.42 0.15 0.15 !E27N-CB
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  27 and name CB) 2.99 0.26 0.26 !K28N-E27CB
!violates calc4
!assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  56 and name CB) 2.96 0.10 0.10 !E56N-CB
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  56 and name CB) 2.96 1.10 1.10 !E56N-CB
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  56 and name CB) 4.24 0.20 0.20 !G41N-E56CB
!violates calc4
!assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  56 and name CB) 4.72 0.75 0.75 !G9N-E56CB
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  56 and name CB) 4.72 1.75 1.75 !G9N-E56CB
assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  30 and name CB) 2.47 0.10 0.10 !F30N-CB
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  30 and name CB) 3.06 0.10 0.10 !K31N-F30CB
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  52 and name CB) 2.32 0.10 0.10 !F52N-CB
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CB) 2.61 0.10 0.10 !I6N-CB
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  10 and name CB) 6.40 5.40 7.12 !G9N-K10CB
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CB) 2.44 0.10 0.10 !K10N-CB
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CB) 3.31 0.10 0.10 !T11N-K10CB
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  13 and name CB) 3.37 0.10 0.10 !G14N-K13CB
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CB) 2.45 0.20 0.20 !K13N-CB
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CB) 2.43 0.10 0.10 !K28N-CB
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  28 and name CB) 3.17 0.12 0.12 !V29N-K28CB
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  31 and name CB) 2.62 0.10 0.10 !K31N-CB
assign (segid "GB1F" and resid  32 and name  N)(segid "GB1F" and resid  31 and name CB) 3.12 0.10 0.10 !Q32N-K31CB
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CB) 2.43 0.21 0.21 !K4N-CB
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   4 and name CB) 3.50 0.44 0.44 !L5N-K4CB
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CB) 2.51 0.23 0.23 !K50N-CB
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CB) 4.50 0.80 0.80 !K50NZ-CB
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  50 and name CB) 5.28 1.57 1.57 !T49N-K50CB
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  50 and name CB) 4.24 0.68 0.68 !T51N-K50CB
!intermolecular
!assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid   1 and name CB) 4.94 3.94 6.46 !K31NZ-M1CB
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   1 and name CB) 3.32 0.10 0.10 !Q2N-M1CB
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  35 and name CB) 3.02 0.10 0.10 !D36N-N35CB
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  35 and name CB) 2.47 0.16 0.16 !N35N-CB
!violates calc1
!assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CB) 3.54 0.27 0.27 !N35ND2-CB
assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CB) 3.54 1.27 1.27 !N35ND2-CB
assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  37 and name CB) 3.70 2.70 5.81 !G38N-N37CB
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  37 and name CB) 2.39 0.25 0.25 !N37N-CB
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  37 and name CB) 2.63 1.63 2.70 !N37ND2-CB
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   8 and name CB) 2.21 0.10 0.10 !N8N-CB
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid   8 and name CB) 2.71 0.47 0.47 !N8ND2-CB
!violates calc1
!assign (segid "GB1F" and resid  32 and name NE2)(segid "GB1F" and resid  32 and name CB) 2.43 0.10 0.10 !Q32NE2-CB
assign (segid "GB1F" and resid  32 and name NE2)(segid "GB1F" and resid  32 and name CB) 2.43 1.10 1.10 !Q32NE2-CB
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  11 and name CB) 3.58 2.58 5.51 !L12N-T11CB
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  11 and name CB) 2.54 0.10 0.10 !T11N-CB
assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  17 and name CB) 2.52 0.17 0.17 !T17N-CB
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  18 and name CB) 3.30 0.10 0.10 !E19N-T18CB
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid  18 and name CB) 2.47 1.47 4.87 !T18N-CB
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  25 and name CB) 3.15 0.37 0.37 !A26N-T25CB
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  25 and name CB) 2.50 0.20 0.20 !T25N-CB
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  44 and name CB) 2.47 0.38 0.38 !T44N-CB
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  44 and name CB) 3.22 0.10 0.10 !Y45N-T44CB
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  49 and name CB) 3.81 0.35 0.35 !K50N-T49CB
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  49 and name CB) 2.50 0.28 0.28 !T49N-CB
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  49 and name CB) 5.23 1.16 1.16 !T51N-T49CB
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  51 and name CB) 4.89 1.00 1.00 !D46N-T51CB
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  51 and name CB) 3.68 0.10 0.10 !F52N-T51CB
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  51 and name CB) 5.16 1.74 1.74 !K50N-T51CB
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  51 and name CB) 2.50 0.11 0.11 !T51N-CB
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CB) 3.67 0.10 0.10 !E56N-T55CB
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid  55 and name CB) 5.28 4.28 6.62 !N8N-T55CB
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid  55 and name CB) 5.28 2.29 2.29 !N8ND2-T55CB
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  55 and name CB) 2.50 0.10 0.10 !T55N-CB
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  43 and name CB) 2.81 0.10 0.10 !T44N-W43CB
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  33 and name CB) 3.44 0.64 0.64 !A34N-Y33CB
assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  33 and name CB) 3.82 0.28 0.28 !F30N-Y33CB
assign (segid "GB1F" and resid  33 and name  N)(segid "GB1F" and resid  33 and name CB) 2.47 0.34 0.34 !Y33N-CB
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  45 and name CB) 2.35 0.10 0.10 !Y45N-CB
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.67 0.16 0.16 !E15N-I6CD1
!violates calc1
!assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   6 and name CD1) 6.34 0.15 0.15 !G14N-I6CD1
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   6 and name CD1) 6.34 1.15 1.15 !G14N-I6CD1
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid   6 and name CD1) 4.60 0.15 0.15 !K4NZ-I6CD1
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.74 0.16 0.16 !T16N-I6CD1
!violates calc2
!assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   6 and name CD1) 6.79 0.17 0.17 !V54N-I6CD1
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   6 and name CD1) 6.79 1.17 1.17 !V54N-I6CD1
!violates cacl5
!assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.43 0.14 0.14 !F52N-I6CD1
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.43 1.14 1.14 !F52N-I6CD1
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CD1) 3.39 0.10 0.10 !I6N-CD1
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   6 and name CD1) 4.74 3.74 6.54 !L7N-I6CD1
!violates calc1
!assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.10 0.10 0.10 !T53N-I6CD1
!violates calc 6 removed
!assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.10 1.10 1.10 !T53N-I6CD1
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  10 and name CD) 5.71 1.51 1.51 !E56N-K10CD
!violates calc1
!assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CD) 2.72 0.21 0.21 !K10NZ-CD
assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CD) 2.72 1.21 1.21 !K10NZ-CD
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CD) 5.58 1.45 1.45 !T11N-K10CD
!violates calc4
!assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CD) 4.35 0.10 0.10 !K13N-CD
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CD) 4.35 1.10 1.10 !K13N-CD
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CD) 2.66 0.33 0.33 !K13NZ-CD
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CD) 4.32 0.29 0.29 !K28N-CD
assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  28 and name CD) 2.88 0.10 0.10 !K28NZ-CD
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  28 and name CD) 6.84 2.84 2.84 !V29N-K28CD
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  31 and name CD) 2.52 0.15 0.15 !K31NZ-CD
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CD) 4.87 0.10 0.10 !K4N-CD
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid   4 and name CD) 2.95 1.95 5.26 !K4NZ-CD
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   4 and name CD) 5.11 0.10 0.10 !L5N-K4CD
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CD) 3.32 0.10 0.10 !K50N-CD
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CD) 2.26 0.13 0.13 !K50NZ-CD
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  50 and name CD) 6.06 5.06 6.80 !T49N-K50CD
assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  12 and name CD1) 4.31 0.10 0.10 !G38N-L12CD1
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  12 and name CD1) 3.06 0.10 0.10 !N37ND2-L12CD1
!intermoleduclar
!assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  12 and name CD2) 3.98 0.47 0.47 !D46N-L12CD2
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  12 and name CD2) 5.65 1.47 1.47 !G9N-L12CD2
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  12 and name CD2) 3.99 0.10 0.10 !L12N-CD2
!intermoleduclar
!assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  12 and name CD2) 1.00 0.00 0.10 !T44N-L12CD2
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  12 and name CD2) 5.17 0.83 0.83 !G14N-L12CD2
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  12 and name CD2) 3.44 0.43 0.43 !K13N-L12CD2
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  12 and name CD2) 5.68 1.54 1.54 !N37ND2-L12CD2
!intermoleduclar
!assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  12 and name CD2) 4.31 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid   5 and name CD2) 4.87 0.10 0.10 !F52N-L5CD2
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   5 and name CD2) 3.29 0.10 0.10 !I6N-L5CD2
!violates calc4
!assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   5 and name CD2) 5.36 0.10 0.10 !T16N-L5CD2
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   5 and name CD2) 5.36 1.10 1.10 !T16N-L5CD2
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   5 and name CD2) 3.92 2.92 5.64 !T53N-L5CD2
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   5 and name CD2) 3.77 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   7 and name CD1) 3.98 0.10 0.10 !E15N-L7CD1
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   7 and name CD1) 3.98 1.10 1.10 !E15N-L7CD1
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CD1) 3.28 0.10 0.10 !L7N-CD1
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   7 and name CD1) 4.79 3.79 4.73 !N8N-L7CD1
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   7 and name CD1) 4.06 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   7 and name CD2) 4.76 0.10 0.10 !E15N-L7CD2
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   7 and name CD2) 4.76 1.10 1.10 !E15N-L7CD2
!violates calc4
!assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   7 and name CD2) 5.08 0.14 0.14 !G14N-L7CD2
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   7 and name CD2) 5.08 1.14 1.14 !G14N-L7CD2
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid   7 and name CD2) 5.09 4.09 6.54 !G9N-L7CD2
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid   7 and name CD2) 4.79 0.16 0.16 !K13N-L7CD2
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid   7 and name CD2) 6.73 0.16 0.16 !K13NZ-L7CD2
!violates calc4
!assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CD2) 3.50 0.10 0.10 !L7N-CD2
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CD2) 3.50 1.10 1.10 !L7N-CD2
!violates calc4
!assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   7 and name CD2) 4.61 0.10 0.10 !N8N-L7CD2
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   7 and name CD2) 4.61 1.10 1.10 !N8N-L7CD2
!violates calc4
!assign (segid "GB1F" and resid   2 and name NE2)(segid "GB1F" and resid   2 and name CD) 1.82 0.10 0.10 !Q2NE2-CD
assign (segid "GB1F" and resid   2 and name NE2)(segid "GB1F" and resid   2 and name CD) 1.82 0.82 1.10 !Q2NE2-CD
assign (segid "GB1F" and resid  32 and name NE2)(segid "GB1F" and resid  32 and name CD) 1.70 0.10 0.10 !Q32NE2-CD
!violates calc4
!assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CE) 1.92 0.10 0.10 !K10NZ-CE
assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CE) 1.92 0.92 1.10 !K10NZ-CE
!violates calc1
!assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CE) 2.26 0.10 0.10 !K13NZ-CE
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CE) 2.26 1.10 1.10 !K13NZ-CE
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CE) 5.45 1.95 1.95 !K28N-CE
assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  28 and name CE) 1.88 0.10 0.10 !K28NZ-CE
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  31 and name CE) 1.61 0.10 0.10 !K31NZ-CE
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CE) 1.59 0.10 0.10 !K50NZ-CE
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid   1 and name CE) 4.20 1.04 1.04 !A23N-M1CE
!intermoleduclar
!assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid   1 and name CE) 4.49 0.50 0.50 !K28NZ-M1CE
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid   1 and name CE) 3.83 0.10 0.10 !K50NZ-M1CE
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid   1 and name CE) 5.00 0.10 0.10 !V21N-M1CE
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid   1 and name CE) 5.35 0.84 0.84 !D22N-M1CE
!intermoleduclar
!assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid   1 and name CE) 4.73 0.58 0.58 !K31N-M1CE
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid   1 and name CE) 3.77 0.60 0.60 !M1N-CE
!intermoleduclar
!assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid   1 and name CE) 4.74 2.15 2.15 !V29N-M1CE
!intermoleduclar
!assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid   1 and name CE) 3.54 0.49 0.49 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid   1 and name CE) 3.63 0.57 0.57 !K31NZ-M1CE
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   1 and name CE) 4.20 1.04 1.04 !Q2N-M1CE
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid   1 and name CE) 5.42 1.45 1.45 !Y3N-M1CE
!violates calc1
!assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CG) 2.82 0.10 0.10 !D40N-CG
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CG) 2.82 1.10 1.10 !D40N-CG
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  40 and name CG) 3.57 0.10 0.10 !G41N-D40CG
!violates calc1
!assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CG) 3.22 0.11 0.11 !T16N-E15CG
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CG) 3.22 1.11 1.11 !T16N-E15CG
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  15 and name CG) 2.77 0.10 0.10 !E15N-CG
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  27 and name CG) 5.36 0.10 0.10 !A26N-E27CG
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  27 and name CG) 3.28 0.11 0.11 !K28N-E27CG
!violates calc4
!assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  27 and name CG) 3.67 0.10 0.10 !K31NZ-E27CG
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  27 and name CG) 3.67 1.10 1.10 !K31NZ-E27CG
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  27 and name CG) 3.30 0.10 0.10 !E27N-CG
!violates calc1
!assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  27 and name CG) 4.19 0.10 0.10 !K31N-E27CG
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  27 and name CG) 4.19 1.10 1.10 !K31N-E27CG
!intermoleduclar
!assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid  27 and name CG) 4.23 3.23 5.29 !M1N-E27CG
assign (segid "GB1F" and resid  42 and name  N)(segid "GB1F" and resid  42 and name CG) 2.56 0.12 0.12 !E42N-CG
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  56 and name CG) 2.50 0.10 0.10 !E56N-CG
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CG1) 2.76 0.10 0.10 !I6N-CG1
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   6 and name CG1) 4.35 0.27 0.27 !L7N-I6CG1
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   6 and name CG1) 5.40 1.12 1.12 !T53N-I6CG1
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   6 and name CG2) 5.57 1.65 1.65 !E15N-I6CG2
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid   6 and name CG2) 6.40 5.40 6.76 !G9N-I6CG2
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   6 and name CG2) 3.04 0.10 0.10 !L7N-I6CG2
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   6 and name CG2) 5.64 1.93 1.93 !T16N-I6CG2
!violates calc4
!assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid   6 and name CG2) 5.56 1.28 1.28 !F52N-I6CG2
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid   6 and name CG2) 5.56 2.28 2.28 !F52N-I6CG2
!violates calc4
!assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CG2) 3.30 0.10 0.10 !I6N-CG2
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CG2) 3.30 1.10 1.10 !I6N-CG2
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   6 and name CG2) 4.67 0.24 0.24 !N8N-I6CG2
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   6 and name CG2) 5.81 4.81 6.83 !T53N-I6CG2
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   6 and name CG2) 5.46 1.46 1.46 !G14N-I6CG2
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid   6 and name CG2) 7.30 5.73 5.73 !K4NZ-I6CG2
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid   6 and name CG2) 5.57 1.65 1.65 !N8ND2-I6CG2
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CG) 2.87 0.10 0.10 !K10N-CG
assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CG) 3.89 0.10 0.10 !K10NZ-CG
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CG) 4.25 0.20 0.20 !T11N-K10CG
!violates calc1
!assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  13 and name CG) 3.41 0.10 0.10 !G14N-K13CG
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  13 and name CG) 3.41 1.10 1.10 !G14N-K13CG
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  13 and name CG) 4.27 0.10 0.10 !G9N-K13CG
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CG) 3.06 0.10 0.10 !K13N-CG
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CG) 4.10 3.10 6.02 !K13NZ-CG
!intermoleduclar
!assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  13 and name CG) 4.23 0.10 0.10 !Y45N-K13CG
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CG) 2.67 0.22 0.22 !K28N-CG
!violates calc4
!assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  31 and name CG) 2.43 0.16 0.16 !K31N-CG
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  31 and name CG) 2.43 1.16 1.16 !K31N-CG
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CG) 3.94 0.10 0.10 !K4N-CG
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   4 and name CG) 3.43 0.10 0.10 !L5N-K4CG
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   4 and name CG) 4.42 0.28 0.28 !T16N-K4CG
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid   4 and name CG) 5.30 2.33 2.33 !T51N-K4CG
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CG) 2.70 0.29 0.29 !K50N-CG
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CG) 3.74 0.27 0.27 !K50NZ-CG
!violates calc4
!assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  12 and name CG) 3.08 0.10 0.10 !K13N-L12CG
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  12 and name CG) 3.08 1.10 1.10 !K13N-L12CG
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid   1 and name CG) 3.61 0.50 0.50 !M1N-CG
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   1 and name CG) 3.01 0.10 0.10 !Q2N-M1CG
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid   1 and name CG) 5.88 4.88 6.46 !V21N-M1CG
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid   1 and name CG) 4.82 1.41 1.41 !Y3N-M1CG
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  35 and name CG) 3.53 0.10 0.10 !N35N-CG
!violates calc4
!assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CG) 1.87 0.10 0.10 !N35ND2-CG
assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CG) 1.87 0.87 1.10 !N35ND2-CG
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  37 and name CG) 1.42 0.10 0.10 !N37ND2-CG
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid   8 and name CG) 1.41 0.10 0.10 !N8ND2-CG
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   2 and name CG) 3.12 0.10 0.10 !Q2N-CG
assign (segid "GB1F" and resid   2 and name NE2)(segid "GB1F" and resid   2 and name CG) 2.78 0.10 0.10 !Q2NE2-CG
assign (segid "GB1F" and resid  32 and name NE2)(segid "GB1F" and resid  32 and name CG) 2.59 0.12 0.12 !Q32NE2-CG
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  11 and name CG2) 4.38 0.40 0.40 !L12N-T11CG2
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  11 and name CG2) 2.80 0.12 0.12 !T11N-CG2
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid  16 and name CG2) 4.83 0.98 0.98 !L5N-T16CG2
!violates calc1
!assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  16 and name CG2) 2.63 0.37 0.37 !T16N-CG2
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  16 and name CG2) 2.63 1.37 1.37 !T16N-CG2
!violates calc1
!assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  17 and name CG2) 2.56 0.21 0.21 !T17N-CG2
assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  17 and name CG2) 2.56 1.21 1.21 !T17N-CG2
!violates calc4
!assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  18 and name CG2) 3.07 0.10 0.10 !E19N-T18CG2
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  18 and name CG2) 3.07 1.10 1.10 !E19N-T18CG2
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid  18 and name CG2) 2.81 0.10 0.10 !T18N-CG2
!violates calc4
!assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  25 and name CG2) 2.72 0.10 0.10 !T25N-CG2
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  25 and name CG2) 2.72 1.10 1.10 !T25N-CG2
!intermoleduclar
!assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  44 and name CG2) 3.44 0.10 0.10 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  44 and name CG2) 4.85 0.86 0.86 !G14N-T44CG2
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  44 and name CG2) 2.71 0.11 0.11 !T44N-CG2
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  49 and name CG2) 5.16 0.88 0.88 !K50N-T49CG2
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  49 and name CG2) 2.88 0.25 0.25 !T49N-CG2
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  49 and name CG2) 5.12 0.90 0.90 !T51N-T49CG2
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  51 and name CG2) 3.18 0.15 0.15 !F52N-T51CG2
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid  51 and name CG2) 5.15 0.40 0.40 !K4N-T51CG2
!violates calc4
!assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  51 and name CG2) 3.23 0.10 0.10 !T51N-CG2
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  51 and name CG2) 3.23 1.10 1.10 !T51N-CG2
!violates calc1
!assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid  53 and name CG2) 3.54 0.10 0.10 !I6N-T53CG2
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid  53 and name CG2) 3.54 1.10 1.10 !I6N-T53CG2
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  53 and name CG2) 2.97 0.10 0.10 !T53N-CG2
!violates calc4
!assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CG2) 2.89 0.52 0.52 !E56N-T55CG2
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CG2) 2.89 1.52 1.52 !E56N-T55CG2
!violates calc4
!assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid  55 and name CG2) 3.80 0.10 0.10 !N8ND2-T55CG2
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid  55 and name CG2) 3.80 1.10 1.10 !N8ND2-T55CG2
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  55 and name CG2) 2.90 0.24 0.24 !T55N-CG2
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  21 and name CG1) 2.93 0.16 0.16 !D22N-V21CG1
!violates calc1
!assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  21 and name CG1) 2.61 0.19 0.19 !V21N-CG1
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  21 and name CG1) 2.61 1.19 1.19 !V21N-CG1
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  21 and name CG2) 3.02 0.29 0.29 !D22N-V21CG2
!violates calc2
!assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  21 and name CG2) 2.81 0.32 0.32 !V21N-CG2
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  21 and name CG2) 2.81 1.32 1.32 !V21N-CG2
!violates calc4
!assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  29 and name CG1) 2.81 0.10 0.10 !F30N-V29CG1
assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  29 and name CG1) 2.81 1.10 1.10 !F30N-V29CG1
!violates calc1
!assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  29 and name CG1) 4.67 0.74 0.74 !K28N-V29CG1
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  29 and name CG1) 4.67 1.74 1.74 !K28N-V29CG1
!violates calc2
!assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  29 and name CG1) 2.96 0.10 0.10 !V29N-CG1
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  29 and name CG1) 2.96 1.10 1.10 !V29N-CG1
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  29 and name CG2) 5.39 2.05 2.05 !E27N-V29CG2
assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  29 and name CG2) 4.29 0.26 0.26 !F30N-V29CG2
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  29 and name CG2) 5.28 1.86 1.86 !K28N-V29CG2
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  29 and name CG2) 2.69 0.10 0.10 !V29N-CG2
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  39 and name CG1) 3.26 2.26 5.48 !D40N-V39CG1
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  39 and name CG1) 4.85 0.38 0.38 !G9N-V39CG1
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  39 and name CG1) 6.09 0.39 0.39 !L12N-V39CG1
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  39 and name CG1) 6.80 0.38 0.38 !T11N-V39CG1
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  39 and name CG1) 2.81 0.10 0.10 !V39N-CG1
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  39 and name CG1) 5.64 0.39 0.39 !N37N-V39CG1
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  54 and name CG1) 6.13 2.85 2.85 !G41N-V54CG1
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  54 and name CG1) 5.76 1.03 1.03 !G9N-V54CG1
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid  54 and name CG1) 5.89 2.02 2.02 !I6N-V54CG1
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid  54 and name CG1) 4.87 0.70 0.70 !L7N-V54CG1
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  54 and name CG1) 6.13 2.44 2.44 !T53N-V54CG1
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  54 and name CG1) 4.15 0.10 0.10 !T55N-V54CG1
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid  54 and name CG1) 3.04 0.12 0.12 !V54N-CG1
!violates calc1
!assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  54 and name CG1) 4.64 0.51 0.51 !W43N-V54CG1
!violates again cacl5
!assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  54 and name CG1) 4.64 1.51 1.51 !W43N-V54CG1
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  54 and name CG1) 5.00 0.85 0.85 !W43NE1-V54CG1
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  54 and name CG1) 6.17 5.17 6.99 !A34N-V54CG1
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  54 and name CG1) 6.13 2.85 2.85 !E56N-V54CG1
assign (segid "GB1F" and resid  32 and name  N)(segid "GB1F" and resid  54 and name CG1) 6.30 5.30 6.72 !Q32N-V54CG1
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  54 and name CG2) 3.05 0.10 0.10 !G41N-V54CG2
!violates calc1
!assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid  54 and name CG2) 3.09 0.10 0.10 !V54N-CG2
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid  54 and name CG2) 3.09 1.10 1.10 !V54N-CG2
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  54 and name CG2) 3.21 0.10 0.10 !W43NE1-V54CG2
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  54 and name CG2) 2.92 1.92 5.23 !T55N-V54CG2
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  54 and name CG2) 4.94 0.10 0.10 !W43N-V54CG2
assign (segid "GB1F" and resid  20 and name  N)(segid "GB1F" and resid  20 and name CA) 1.44 0.10 0.10 !A20N-CA
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  20 and name CA) 4.68 2.37 2.37 !D22N-A20CA
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid  20 and name CA) 5.20 4.20 6.53 !M1N-A20CA
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  20 and name CA) 2.70 0.10 0.10 !V21N-A20CA
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  23 and name CA) 1.44 0.10 0.10 !A23N-CA
assign (segid "GB1F" and resid  24 and name  N)(segid "GB1F" and resid  24 and name CA) 1.53 0.10 0.10 !A24N-CA
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  24 and name CA) 2.80 0.10 0.10 !T25N-A24CA
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  26 and name CA) 1.45 0.10 0.10 !A26N-CA
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  26 and name CA) 2.51 0.16 0.16 !E27N-A26CA
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  26 and name CA) 4.24 1.13 1.13 !T25N-A26CA
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  34 and name CA) 1.46 0.10 0.10 !A34N-CA
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  34 and name CA) 2.50 0.12 0.12 !N35N-A34CA
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  48 and name CA) 1.46 0.10 0.10 !A48N-CA
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  48 and name CA) 4.22 1.45 1.45 !D47N-A48CA
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  48 and name CA) 2.49 0.10 0.10 !T49N-A48CA
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  22 and name CA) 2.50 0.16 0.16 !A23N-D22CA
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  22 and name CA) 1.44 0.10 0.10 !D22N-CA
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  22 and name CA) 3.82 0.89 0.89 !V21N-D22CA
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  36 and name CA) 1.44 0.10 0.10 !D36N-CA
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  36 and name CA) 2.51 0.18 0.18 !N37N-D36CA
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CA) 1.48 0.10 0.10 !D40N-CA
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  40 and name CA) 2.59 0.10 0.10 !G41N-D40CA
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  46 and name CA) 4.20 0.98 0.98 !A48N-D46CA
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  46 and name CA) 1.45 0.10 0.10 !D46N-CA
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  46 and name CA) 2.61 0.10 0.10 !D47N-D46CA
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  47 and name CA) 2.82 0.41 0.41 !A48N-D47CA
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  47 and name CA) 1.41 0.10 0.10 !D47N-CA
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  47 and name CA) 5.95 4.95 5.76 !T49N-D47CA
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  15 and name CA) 1.44 0.10 0.10 !E15N-CA
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CA) 2.70 0.20 0.20 !T16N-E15CA
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  19 and name CA) 1.53 0.10 0.10 !E19N-CA
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  27 and name CA) 1.44 0.10 0.10 !E27N-CA
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  27 and name CA) 2.49 0.10 0.10 !K28N-E27CA
assign (segid "GB1F" and resid  42 and name  N)(segid "GB1F" and resid  42 and name CA) 1.06 0.06 0.10 !E42N-CA
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  56 and name CA) 1.44 0.28 0.28 !E56N-CA
assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  30 and name CA) 1.45 0.10 0.10 !F30N-CA
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  30 and name CA) 2.56 0.10 0.10 !K31N-F30CA
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  52 and name CA) 1.43 0.10 0.10 !F52N-CA
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  52 and name CA) 2.64 0.16 0.16 !T53N-F52CA
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  14 and name CA) 1.43 0.10 0.10 !G14N-CA
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  14 and name CA) 2.62 0.14 0.14 !E15N-G14CA
assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  38 and name CA) 1.43 0.10 0.10 !G38N-CA
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  38 and name CA) 4.36 1.53 1.53 !N37N-G38CA
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  38 and name CA) 2.60 0.10 0.10 !V39N-G38CA
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  41 and name CA) 1.47 0.10 0.10 !G41N-CA
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  41 and name CA) 4.34 1.10 1.10 !D40N-G41CA
assign (segid "GB1F" and resid  42 and name  N)(segid "GB1F" and resid  41 and name CA) 2.63 0.10 0.10 !E42N-G41CA
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid   9 and name CA) 1.44 0.10 0.10 !G9N-CA
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid   9 and name CA) 5.64 4.64 5.18 !K13N-G9CA
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   9 and name CA) 4.91 2.64 2.64 !N8N-G9CA
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid   9 and name CA) 2.58 0.17 0.17 !K10N-G9CA
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid   9 and name CA) 4.65 2.55 2.55 !L12N-G9CA
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CA) 1.45 0.10 0.10 !K10N-CA
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CA) 2.53 0.11 0.11 !T11N-K10CA
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  13 and name CA) 2.58 0.14 0.14 !G14N-K13CA
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CA) 1.44 0.10 0.10 !K13N-CA
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CA) 1.44 0.10 0.10 !K28N-CA
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  28 and name CA) 2.39 0.10 0.10 !V29N-K28CA
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  31 and name CA) 1.45 0.10 0.10 !K31N-CA
assign (segid "GB1F" and resid  32 and name  N)(segid "GB1F" and resid  31 and name CA) 2.53 0.12 0.12 !Q32N-K31CA
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CA) 1.44 0.10 0.10 !K4N-CA
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   4 and name CA) 2.54 0.10 0.10 !L5N-K4CA
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CA) 1.44 0.10 0.10 !K50N-CA
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  50 and name CA) 4.95 1.30 1.30 !T49N-K50CA
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  35 and name CA) 2.60 0.10 0.10 !D36N-N35CA
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  35 and name CA) 1.41 0.10 0.10 !N35N-CA
assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  37 and name CA) 2.59 0.21 0.21 !G38N-N37CA
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  37 and name CA) 1.48 0.10 0.10 !N37N-CA
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  37 and name CA) 4.29 1.20 1.20 !N37ND2-CA
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid   8 and name CA) 2.46 0.17 0.17 !G9N-N8CA
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   8 and name CA) 1.50 0.10 0.10 !N8N-CA
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid   8 and name CA) 4.05 0.90 0.90 !N8ND2-CA
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid   2 and name CA) 2.33 0.10 0.10 !Y3N-Q2CA
assign (segid "GB1F" and resid  32 and name  N)(segid "GB1F" and resid  32 and name CA) 1.47 0.10 0.10 !Q32N-CA
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  11 and name CA) 2.56 0.10 0.10 !L12N-T11CA
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  11 and name CA) 1.43 0.43 0.63 !T11N-CA
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  16 and name CA) 1.38 0.10 0.10 !T16N-CA
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  18 and name CA) 2.58 0.15 0.15 !E19N-T18CA
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid  18 and name CA) 1.44 0.10 0.10 !T18N-CA
assign (segid "GB1F" and resid  24 and name  N)(segid "GB1F" and resid  25 and name CA) 4.68 1.60 1.60 !A24N-T25CA
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  25 and name CA) 2.53 0.15 0.15 !A26N-T25CA
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  25 and name CA) 1.49 0.10 0.10 !T25N-CA
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  44 and name CA) 1.43 0.10 0.10 !T44N-CA
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  44 and name CA) 2.59 0.10 0.10 !Y45N-T44CA
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  49 and name CA) 1.44 0.10 0.10 !T49N-CA
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  51 and name CA) 2.59 0.15 0.15 !F52N-T51CA
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  51 and name CA) 4.63 3.27 3.27 !K50N-T51CA
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  51 and name CA) 1.43 0.10 0.10 !T51N-CA
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  53 and name CA) 1.43 0.10 0.10 !T53N-CA
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid  53 and name CA) 2.82 0.10 0.10 !V54N-T53CA
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CA) 2.61 0.18 0.18 !E56N-T55CA
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  55 and name CA) 1.46 0.10 0.10 !T55N-CA
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  43 and name CA) 1.43 0.10 0.10 !W43N-CA
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  33 and name CA) 2.39 0.15 0.15 !A34N-Y33CA
assign (segid "GB1F" and resid  33 and name  N)(segid "GB1F" and resid  33 and name CA) 1.44 0.10 0.10 !Y33N-CA
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   3 and name CA) 2.57 0.19 0.19 !K4N-Y3CA
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   3 and name CA) 4.13 1.02 1.02 !Q2N-Y3CA
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid   3 and name CA) 5.03 4.03 5.10 !T18N-Y3CA
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid   3 and name CA) 1.44 0.10 0.10 !Y3N-CA
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  45 and name CA) 2.56 0.14 0.14 !D46N-Y45CA
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  45 and name CA) 5.95 4.95 6.15 !D47N-Y45CA
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  45 and name CA) 1.44 0.10 0.10 !Y45N-CA
assign (segid "GB1F" and resid  20 and name  N)(segid "GB1F" and resid  20 and name CB) 2.41 0.20 0.20 !A20N-CB
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  20 and name CB) 4.08 0.45 0.45 !A26N-A20CB
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  20 and name CB) 3.92 0.10 0.10 !D22N-A20CB
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  20 and name CB) 3.25 0.10 0.10 !V21N-A20CB
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  23 and name CB) 2.34 0.10 0.10 !A23N-CB
assign (segid "GB1F" and resid  24 and name  N)(segid "GB1F" and resid  24 and name CB) 2.35 0.10 0.10 !A24N-CB
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  24 and name CB) 3.39 0.10 0.10 !T25N-A24CB
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  26 and name CB) 2.42 0.13 0.13 !A26N-CB
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  26 and name CB) 3.36 0.31 0.31 !E27N-A26CB
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  26 and name CB) 5.28 0.98 0.98 !K28N-A26CB
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  34 and name CB) 2.42 0.10 0.10 !A34N-CB
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  34 and name CB) 3.32 0.10 0.10 !N35N-A34CB
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  48 and name CB) 2.45 0.10 0.10 !A48N-CB
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  48 and name CB) 3.38 0.10 0.10 !T49N-A48CB
assign (segid "GB1F" and resid  23 and name  N)(segid "GB1F" and resid  22 and name CB) 3.21 0.10 0.10 !A23N-D22CB
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  22 and name CB) 2.44 0.13 0.13 !D22N-CB
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  36 and name CB) 2.44 0.10 0.10 !D36N-CB
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  36 and name CB) 3.46 0.10 0.10 !N37N-D36CB
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CB) 2.46 0.18 0.18 !D40N-CB
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  40 and name CB) 3.64 0.46 0.46 !G41N-D40CB
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  46 and name CB) 2.48 0.22 0.22 !D46N-CB
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  46 and name CB) 3.90 0.10 0.10 !D47N-D46CB
!violates calc1
!assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  47 and name CB) 4.32 0.18 0.18 !A48N-D47CB
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  47 and name CB) 4.32 1.18 1.18 !A48N-D47CB
!violates calc4
!assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  47 and name CB) 3.00 0.17 0.17 !D47N-CB
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  47 and name CB) 3.00 1.17 1.17 !D47N-CB
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  15 and name CB) 2.50 0.18 0.18 !E15N-CB
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  27 and name CB) 2.42 0.11 0.11 !E27N-CB
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  27 and name CB) 3.20 0.10 0.10 !K28N-E27CB
assign (segid "GB1F" and resid  42 and name  N)(segid "GB1F" and resid  42 and name CB) 2.51 0.14 0.14 !E42N-CB
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  42 and name CB) 3.41 0.29 0.29 !W43N-E42CB
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  56 and name CB) 2.45 0.10 0.10 !E56N-CB
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CB) 2.50 0.32 0.32 !I6N-CB
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   6 and name CB) 3.50 0.10 0.10 !L7N-I6CB
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   6 and name CB) 5.72 0.10 0.10 !V54N-I6CB
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CB) 2.38 0.10 0.10 !K10N-CB
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CB) 3.37 0.10 0.10 !T11N-K10CB
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  13 and name CB) 3.21 0.31 0.31 !G14N-K13CB
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CB) 2.41 0.36 0.36 !K13N-CB
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CB) 2.41 0.10 0.10 !K28N-CB
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  28 and name CB) 3.15 0.14 0.14 !V29N-K28CB
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  31 and name CB) 2.35 0.10 0.10 !K31N-CB
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CB) 2.42 0.10 0.10 !K4N-CB
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   4 and name CB) 3.34 0.12 0.12 !L5N-K4CB
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CB) 2.43 0.10 0.10 !K50N-CB
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CB) 4.66 0.53 0.53 !K50NZ-CB
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  50 and name CB) 4.15 1.07 1.07 !T51N-K50CB
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  12 and name CB) 2.38 0.10 0.10 !L12N-CB
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   7 and name CB) 4.01 1.04 1.04 !G14N-L7CB
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CB) 2.45 0.34 0.34 !L7N-CB
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   7 and name CB) 3.67 0.20 0.20 !N8N-L7CB
!intermoleduclar
!assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid   1 and name CB) 4.87 1.08 1.08 !K31NZ-M1CB
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid   1 and name CB) 2.44 0.10 0.10 !M1N-CB
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   1 and name CB) 3.34 0.23 0.23 !Q2N-M1CB
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  35 and name CB) 3.15 0.13 0.13 !D36N-N35CB
assign (segid "GB1F" and resid  35 and name  N)(segid "GB1F" and resid  35 and name CB) 2.42 0.10 0.10 !N35N-CB
!violates calc1
!assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CB) 3.74 0.10 0.10 !N35ND2-CB
assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CB) 3.74 1.10 1.10 !N35ND2-CB
!violates calc5
!assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  37 and name CB) 3.88 0.10 0.10 !G38N-N37CB
assign (segid "GB1F" and resid  38 and name  N)(segid "GB1F" and resid  37 and name CB) 3.88 1.10 1.10 !G38N-N37CB
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  37 and name CB) 2.27 0.10 0.10 !N37N-CB
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  37 and name CB) 2.58 0.11 0.11 !N37ND2-CB
assign (segid "GB1F" and resid  32 and name  N)(segid "GB1F" and resid  32 and name CB) 2.24 0.12 0.12 !Q32N-CB
assign (segid "GB1F" and resid  32 and name NE2)(segid "GB1F" and resid  32 and name CB) 3.91 0.37 0.37 !Q32NE2-CB
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  11 and name CB) 3.58 0.10 0.10 !L12N-T11CB
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  11 and name CB) 2.50 0.10 0.10 !T11N-CB
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  16 and name CB) 2.43 0.13 0.13 !T16N-CB
assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  16 and name CB) 3.24 0.10 0.10 !T17N-T16CB
assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  17 and name CB) 2.15 0.56 0.56 !T17N-CB
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  18 and name CB) 3.26 0.10 0.10 !E19N-T18CB
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid  18 and name CB) 2.46 0.10 0.10 !T18N-CB
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  25 and name CB) 3.48 0.43 0.43 !A26N-T25CB
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  25 and name CB) 2.44 0.15 0.15 !T25N-CB
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  44 and name CB) 2.45 0.10 0.10 !T44N-CB
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  44 and name CB) 4.79 0.59 0.59 !T53N-T44CB
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  44 and name CB) 3.31 0.10 0.10 !Y45N-T44CB
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  49 and name CB) 3.84 0.10 0.10 !K50N-T49CB
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  49 and name CB) 2.45 0.10 0.10 !T49N-CB
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  49 and name CB) 4.81 0.56 0.56 !T51N-T49CB
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  51 and name CB) 5.28 3.00 3.00 !D46N-T51CB
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  51 and name CB) 3.63 0.27 0.27 !F52N-T51CB
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  51 and name CB) 5.51 0.79 0.79 !K50N-T51CB
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  51 and name CB) 5.95 1.79 1.79 !T49N-T51CB
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  51 and name CB) 2.47 0.10 0.10 !T51N-CB
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CB) 3.66 0.10 0.10 !E56N-T55CB
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  55 and name CB) 2.48 0.15 0.15 !T55N-CB
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  21 and name CB) 2.43 0.10 0.10 !V21N-CB
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  15 and name CD) 3.71 0.10 0.10 !E15N-CD
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid  15 and name CD) 5.76 0.10 0.10 !I6N-E15CD
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid  15 and name CD) 5.62 0.10 0.10 !L7N-E15CD
!intermoleduclar
!assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  15 and name CD) 4.63 0.10 0.10 !W43N-E15CD
!intermoleduclar
!assign (segid "GB1F" and resid  42 and name  N)(segid "GB1F" and resid  15 and name CD) 4.03 0.10 0.10 !E42N-E15CD
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid  15 and name CD) 3.71 0.10 0.10 !K4NZ-E15CD
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CD) 4.24 3.24 6.87 !T16N-E15CD
!violates calc1
!assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  19 and name CD) 3.60 0.10 0.10 !E19N-CD
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  19 and name CD) 3.60 1.10 1.10 !E19N-CD
!intermoleduclar
!assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  19 and name CD) 6.40 5.40 7.08 !K13NZ-E19CD
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid  19 and name CD) 4.14 0.24 0.24 !M1N-E19CD
assign (segid "GB1F" and resid   2 and name NE2)(segid "GB1F" and resid  19 and name CD) 5.53 0.25 0.25 !Q2NE2-E19CD
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid  19 and name CD) 6.86 0.35 0.35 !T18N-E19CD
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid  19 and name CD) 7.08 0.35 0.35 !Y3N-E19CD
assign (segid "GB1F" and resid  26 and name  N)(segid "GB1F" and resid  27 and name CD) 6.21 0.10 0.10 !A26N-E27CD
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  27 and name CD) 4.94 0.10 0.10 !E27N-CD
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  27 and name CD) 4.25 0.10 0.10 !K28N-E27CD
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  27 and name CD) 4.00 0.10 0.10 !K31NZ-E27CD
!intermoleduclar
!assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid  27 and name CD) 3.45 2.45 6.61 !M1N-E27CD
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  56 and name CD) 3.42 0.20 0.20 !D40N-E56CD
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  56 and name CD) 4.89 1.06 1.06 !G9N-E56CD
assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  56 and name CD) 5.69 4.69 6.56 !K10NZ-E56CD
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  56 and name CD) 5.45 0.99 0.99 !T11N-E56CD
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  56 and name CD) 4.83 0.74 0.74 !V39N-E56CD
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  56 and name CD) 4.50 0.30 0.30 !G41N-E56CD
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  56 and name CD) 3.60 0.13 0.13 !K10N-E56CD
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  56 and name CD) 7.18 6.18 6.68 !K13NZ-E56CD
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  56 and name CD) 6.50 2.64 2.64 !T55N-E56CD
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.91 1.03 1.03 !E15N-I6CD1
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CD1) 3.62 0.33 0.33 !I6N-CD1
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   6 and name CD1) 4.55 3.55 6.27 !L7N-I6CD1
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.35 3.54 3.54 !T53N-I6CD1
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.65 0.64 0.64 !F52N-I6CD1
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   6 and name CD1) 6.89 1.83 1.83 !K4N-I6CD1
assign (segid "GB1F" and resid   8 and name  N)(segid "GB1F" and resid   6 and name CD1) 7.30 3.14 3.14 !N8N-I6CD1
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   6 and name CD1) 6.82 1.69 1.69 !V54N-I6CD1
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid   6 and name CD1) 7.30 1.98 1.98 !G14N-I6CD1
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid   6 and name CD1) 5.05 0.44 0.44 !K4NZ-I6CD1
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   6 and name CD1) 5.91 1.03 1.03 !T16N-I6CD1
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CD) 4.31 0.10 0.10 !K10N-CD
!violates calc2
!assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CD) 3.52 0.27 0.27 !K10NZ-CD
assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CD) 3.52 1.27 1.27 !K10NZ-CD
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CD) 6.28 1.69 1.69 !T11N-K10CD
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CD) 3.87 0.40 0.40 !K13N-CD
!violates calc4
!assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CD) 2.91 0.10 0.10 !K13NZ-CD
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CD) 2.91 1.10 1.10 !K13NZ-CD
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  28 and name CD) 5.96 1.11 1.11 !E27N-K28CD
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CD) 4.58 0.10 0.10 !K28N-CD
!violates calc1
!assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  28 and name CD) 3.29 0.10 0.10 !K28NZ-CD
assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  28 and name CD) 3.29 1.10 1.10 !K28NZ-CD
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  31 and name CD) 2.32 0.10 0.10 !K31NZ-CD
!violates calc1
!assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid   4 and name CD) 3.25 0.10 0.10 !K4NZ-CD
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid   4 and name CD) 3.25 1.10 1.10 !K4NZ-CD
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   4 and name CD) 5.25 4.25 6.61 !L5N-K4CD
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CD) 3.40 0.10 0.10 !K50N-CD
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CD) 2.63 0.10 0.10 !K50NZ-CD
!violates calc4
!assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  12 and name CD2) 3.43 0.10 0.10 !K13N-L12CD2
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  12 and name CD2) 3.43 1.10 1.10 !K13N-L12CD2
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  12 and name CD2) 4.50 0.17 0.17 !L12N-CD2
!intermoleduclar
!assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  12 and name CD2) 4.41 0.10 0.10 !Y45N-L12CD2
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   5 and name CD2) 3.19 2.19 4.74 !I6N-L5CD2
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   5 and name CD2) 3.70 0.10 0.10 !T53N-L5CD2
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid   5 and name CD2) 3.67 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   7 and name CD1) 5.02 0.10 0.10 !E15N-L7CD1
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid   7 and name CD1) 5.02 1.10 1.10 !E15N-L7CD1
!violates calc4
!assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CD1) 3.48 0.10 0.10 !L7N-CD1
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CD1) 3.48 1.10 1.10 !L7N-CD1
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid   7 and name CD1) 4.31 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CD2) 3.53 0.12 0.12 !L7N-CD2
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   7 and name CD2) 3.53 1.12 1.12 !L7N-CD2
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   2 and name CD) 5.18 0.82 0.82 !Q2N-CD
!violates calc4
!assign (segid "GB1F" and resid   2 and name NE2)(segid "GB1F" and resid   2 and name CD) 1.75 0.10 0.10 !Q2NE2-CD
assign (segid "GB1F" and resid   2 and name NE2)(segid "GB1F" and resid   2 and name CD) 1.75 0.75 1.10 !Q2NE2-CD
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid   2 and name CD) 6.62 5.62 7.17 !T18N-Q2CD
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  43 and name CD1) 3.70 0.39 0.39 !W43N-CD1
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  43 and name CD1) 1.46 0.10 0.10 !W43NE1-CD1
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  43 and name CD2) 5.28 1.38 1.38 !K31NZ-W43CD2
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  43 and name CD2) 5.02 3.05 3.05 !W43N-CD2
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  43 and name CD2) 2.26 0.10 0.10 !W43NE1-CD2
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  10 and name CE) 5.48 1.21 1.21 !D40N-K10CE
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CE) 4.66 0.43 0.43 !K10N-CE
assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CE) 1.58 0.10 0.10 !K10NZ-CE
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  13 and name CE) 3.65 0.38 0.38 !G9N-K13CE
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  13 and name CE) 4.19 0.67 0.67 !K10N-K13CE
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CE) 1.57 0.10 0.10 !K13NZ-CE
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  13 and name CE) 4.36 0.67 0.67 !T11N-K13CE
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  28 and name CE) 6.61 5.61 5.86 !E27N-K28CE
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CE) 5.95 2.09 2.09 !K28N-CE
assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  28 and name CE) 1.87 0.10 0.10 !K28NZ-CE
!violates cacl4
!assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  31 and name CE) 1.90 0.10 0.10 !K31NZ-CE
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  31 and name CE) 1.90 0.90 1.10 !K31NZ-CE
!violates calc1
!assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CE) 2.20 0.10 0.10 !K50NZ-CE
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid  50 and name CE) 2.20 1.10 1.10 !K50NZ-CE
!intermoleduclar
!assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid   1 and name CE) 3.34 0.10 0.10 !K28N-M1CE
!intermoleduclar
!assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid   1 and name CE) 4.32 0.10 0.10 !K31N-M1CE
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   1 and name CE) 4.06 3.06 6.00 !Q2N-M1CE
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  43 and name CZ2) 4.49 0.25 0.25 !K31N-W43CZ2
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  43 and name CZ2) 2.52 0.17 0.17 !W43NE1-CZ2
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  43 and name CZ3) 4.53 0.10 0.10 !K31N-W43CZ3
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  43 and name CZ3) 6.04 0.10 0.10 !T44N-W43CZ3
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid  43 and name CZ3) 4.55 0.10 0.10 !V54N-W43CZ3
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  43 and name CZ3) 4.10 0.10 0.10 !W43NE1-CZ3
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  43 and name CZ3) 6.38 0.10 0.10 !K31NZ-W43CZ3
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  43 and name CZ3) 4.90 3.90 6.38 !T53N-W43CZ3
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  43 and name CZ3) 6.02 0.10 0.10 !W43N-CZ3
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  36 and name CG) 2.56 0.10 0.10 !D36N-CG
!violates calc4
!assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CG) 4.51 0.32 0.32 !D40N-CG
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  40 and name CG) 4.51 1.32 1.32 !D40N-CG
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  40 and name CG) 4.23 0.15 0.15 !G41N-D40CG
assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  40 and name CG) 5.99 4.99 4.99 !K10NZ-D40CG
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  40 and name CG) 6.60 0.16 0.16 !V39N-D40CG
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  46 and name CG) 3.42 0.10 0.10 !A48N-D46CG
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  46 and name CG) 3.53 0.19 0.19 !D46N-CG
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  46 and name CG) 3.24 0.10 0.10 !D47N-D46CG
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  46 and name CG) 3.67 0.10 0.10 !T49N-D46CG
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  47 and name CG) 3.76 0.51 0.51 !D47N-CG
!intermoleduclar
!assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  47 and name CG) 6.65 5.64 5.64 !L12N-D47CG
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  15 and name CG) 2.49 1.49 6.12 !E15N-CG
!violates calc1
!assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CG) 3.47 0.10 0.10 !T16N-E15CG
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  15 and name CG) 3.47 1.10 1.10 !T16N-E15CG
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  56 and name CG) 2.48 0.25 0.25 !E56N-CG
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  56 and name CG) 5.41 1.40 1.40 !G41N-E56CG
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  56 and name CG) 5.07 1.34 1.34 !G9N-E56CG
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  56 and name CG) 3.86 0.16 0.16 !K10N-E56CG
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  56 and name CG) 6.02 4.84 4.84 !T55N-E56CG
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  30 and name CG) 5.86 1.46 1.46 !A34N-F30CG
assign (segid "GB1F" and resid  27 and name  N)(segid "GB1F" and resid  30 and name CG) 4.82 0.34 0.34 !E27N-F30CG
assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  30 and name CG) 2.99 0.10 0.10 !F30N-CG
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  30 and name CG) 4.42 0.10 0.10 !K31N-F30CG
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid  30 and name CG) 5.68 0.62 0.62 !L5N-F30CG
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  52 and name CG) 2.71 0.14 0.14 !F52N-CG
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  52 and name CG) 5.25 1.11 1.11 !D46N-F52CG
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid  52 and name CG) 6.05 1.49 1.49 !K4N-F52CG
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  52 and name CG) 5.72 1.15 1.15 !Y45N-F52CG
!violates calc1
!assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   6 and name CG1) 3.04 0.10 0.10 !T53N-I6CG1
!violates calc2 removed
!assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid   6 and name CG1) 3.04 1.10 1.10 !T53N-I6CG1
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid   6 and name CG2) 3.97 0.30 0.30 !I6N-CG2
assign (segid "GB1F" and resid   7 and name  N)(segid "GB1F" and resid   6 and name CG2) 3.54 0.10 0.10 !L7N-I6CG2
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  10 and name CG) 6.40 0.12 0.12 !E56N-K10CG
!violates calc4
!assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CG) 3.45 0.10 0.10 !K10N-CG
assign (segid "GB1F" and resid  10 and name  N)(segid "GB1F" and resid  10 and name CG) 3.45 1.10 1.10 !K10N-CG
!violates calc1
!assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CG) 5.95 0.12 0.12 !K10NZ-CG
!violates calc2 removed
!assign (segid "GB1F" and resid  10 and name NZ)(segid "GB1F" and resid  10 and name CG) 5.95 1.12 1.12 !K10NZ-CG
!violates calc4
!assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  10 and name CG) 5.88 0.12 0.12 !L12N-K10CG
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  10 and name CG) 5.88 1.12 1.12 !L12N-K10CG
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  10 and name CG) 4.72 3.72 4.74 !T11N-K10CG
assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  13 and name CG) 4.60 0.10 0.10 !G14N-K13CG
assign (segid "GB1F" and resid  13 and name  N)(segid "GB1F" and resid  13 and name CG) 3.22 0.10 0.10 !K13N-CG
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  13 and name CG) 4.92 2.73 2.73 !G9N-K13CG
!violates calc4
!assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CG) 3.61 0.10 0.10 !K13NZ-CG
assign (segid "GB1F" and resid  13 and name NZ)(segid "GB1F" and resid  13 and name CG) 3.61 1.10 1.10 !K13NZ-CG
assign (segid "GB1F" and resid  28 and name  N)(segid "GB1F" and resid  28 and name CG) 3.14 0.28 0.28 !K28N-CG
assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  28 and name CG) 4.19 0.28 0.28 !K28NZ-CG
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  28 and name CG) 4.41 0.30 0.30 !V29N-K28CG
assign (segid "GB1F" and resid  31 and name  N)(segid "GB1F" and resid  31 and name CG) 2.92 1.92 7.39 !K31N-CG
assign (segid "GB1F" and resid  31 and name NZ)(segid "GB1F" and resid  31 and name CG) 3.76 0.10 0.10 !K31NZ-CG
assign (segid "GB1F" and resid  43 and name NE1)(segid "GB1F" and resid  31 and name CG) 4.40 0.10 0.10 !W43NE1-K31CG
!violates calc1
!assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CG) 3.10 0.10 0.10 !K4N-CG
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   4 and name CG) 3.10 1.10 1.10 !K4N-CG
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  50 and name CG) 2.91 0.58 0.58 !K50N-CG
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  50 and name CG) 4.88 0.90 0.90 !T49N-K50CG
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  50 and name CG) 4.96 0.35 0.35 !T51N-K50CG
!violates calc1
!assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   5 and name CG) 3.05 0.10 0.10 !L5N-CG
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid   5 and name CG) 3.05 1.10 1.10 !L5N-CG
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid   1 and name CG) 3.74 0.20 0.20 !M1N-CG
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   1 and name CG) 2.86 0.10 0.10 !Q2N-M1CG
!violates calc4
!assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CG) 1.88 0.10 0.10 !N35ND2-CG
assign (segid "GB1F" and resid  35 and name ND2)(segid "GB1F" and resid  35 and name CG) 1.88 0.88 1.10 !N35ND2-CG
assign (segid "GB1F" and resid  36 and name  N)(segid "GB1F" and resid  37 and name CG) 5.05 2.33 2.33 !D36N-N37CG
!violates calc4
!assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  37 and name CG) 2.40 0.21 0.21 !N37N-CG
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  37 and name CG) 2.40 1.21 1.21 !N37N-CG
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  37 and name CG) 1.51 0.10 0.10 !N37ND2-CG
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  37 and name CG) 6.32 4.88 4.88 !V39N-N37CG
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid   8 and name CG) 1.43 0.10 0.10 !N8ND2-CG
!intermoleduclar
!assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  11 and name CG2) 4.65 0.41 0.41 !A48N-T11CG2
!intermoleduclar
!assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  11 and name CG2) 5.30 4.30 6.41 !D47N-T11CG2
assign (segid "GB1F" and resid  12 and name  N)(segid "GB1F" and resid  11 and name CG2) 4.94 0.21 0.21 !L12N-T11CG2
assign (segid "GB1F" and resid  11 and name  N)(segid "GB1F" and resid  11 and name CG2) 3.29 0.28 0.28 !T11N-CG2
assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  16 and name CG2) 6.35 0.96 0.96 !E15N-T16CG2
!violates calc4
!assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid  16 and name CG2) 5.18 0.26 0.26 !L5N-T16CG2
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid  16 and name CG2) 5.18 1.26 1.26 !L5N-T16CG2
assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  16 and name CG2) 3.53 0.23 0.23 !T16N-CG2
assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  16 and name CG2) 3.90 0.10 0.10 !T17N-T16CG2
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  17 and name CG2) 5.45 0.10 0.10 !E19N-T17CG2
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid  17 and name CG2) 6.12 0.10 0.10 !K4NZ-T17CG2
assign (segid "GB1F" and resid   2 and name NE2)(segid "GB1F" and resid  17 and name CG2) 4.96 0.10 0.10 !Q2NE2-T17CG2
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid  17 and name CG2) 4.90 3.90 6.33 !K4N-T17CG2
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid  17 and name CG2) 5.46 0.10 0.10 !L5N-T17CG2
!violates calc4
!assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  17 and name CG2) 3.17 0.10 0.10 !T17N-CG2
assign (segid "GB1F" and resid  17 and name  N)(segid "GB1F" and resid  17 and name CG2) 3.17 1.10 1.10 !T17N-CG2
assign (segid "GB1F" and resid  19 and name  N)(segid "GB1F" and resid  18 and name CG2) 3.63 0.10 0.10 !E19N-T18CG2
assign (segid "GB1F" and resid   5 and name  N)(segid "GB1F" and resid  18 and name CG2) 6.15 1.88 1.88 !L5N-T18CG2
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid  18 and name CG2) 3.30 0.10 0.10 !T18N-CG2
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid  18 and name CG2) 4.77 0.35 0.35 !Y3N-T18CG2
assign (segid "GB1F" and resid  22 and name  N)(segid "GB1F" and resid  25 and name CG2) 4.41 3.41 5.78 !D22N-T25CG2
assign (segid "GB1F" and resid  28 and name NZ)(segid "GB1F" and resid  25 and name CG2) 6.07 0.10 0.10 !K28NZ-T25CG2
assign (segid "GB1F" and resid  25 and name  N)(segid "GB1F" and resid  25 and name CG2) 3.51 0.10 0.10 !T25N-CG2
assign (segid "GB1F" and resid  21 and name  N)(segid "GB1F" and resid  25 and name CG2) 4.38 0.10 0.10 !V21N-T25CG2
!intermoleduclar
!assign (segid "GB1F" and resid  15 and name  N)(segid "GB1F" and resid  44 and name CG2) 4.22 0.24 0.24 !E15N-T44CG2
!intermoleduclar
!assign (segid "GB1F" and resid  14 and name  N)(segid "GB1F" and resid  44 and name CG2) 5.23 0.98 0.98 !G14N-T44CG2
!intermoleduclar
!assign (segid "GB1F" and resid  16 and name  N)(segid "GB1F" and resid  44 and name CG2) 5.26 1.14 1.14 !T16N-T44CG2
assign (segid "GB1F" and resid  44 and name  N)(segid "GB1F" and resid  44 and name CG2) 3.01 0.96 0.96 !T44N-CG2
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  44 and name CG2) 3.66 0.10 0.10 !T53N-T44CG2
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  44 and name CG2) 5.42 4.42 6.68 !W43N-T44CG2
assign (segid "GB1F" and resid  48 and name  N)(segid "GB1F" and resid  49 and name CG2) 5.29 0.38 0.38 !A48N-T49CG2
assign (segid "GB1F" and resid  50 and name  N)(segid "GB1F" and resid  49 and name CG2) 5.55 0.64 0.64 !K50N-T49CG2
assign (segid "GB1F" and resid  49 and name  N)(segid "GB1F" and resid  49 and name CG2) 3.38 0.10 0.10 !T49N-CG2
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  49 and name CG2) 7.41 6.41 6.75 !T51N-T49CG2
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  51 and name CG2) 3.37 0.10 0.10 !F52N-T51CG2
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid  51 and name CG2) 5.58 0.51 0.51 !K4N-T51CG2
assign (segid "GB1F" and resid   4 and name NZ)(segid "GB1F" and resid  51 and name CG2) 6.40 1.66 1.66 !K4NZ-T51CG2
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  51 and name CG2) 4.02 0.12 0.12 !T51N-CG2
!violates calc1
!assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid  53 and name CG2) 3.39 0.10 0.10 !I6N-T53CG2
assign (segid "GB1F" and resid   6 and name  N)(segid "GB1F" and resid  53 and name CG2) 3.39 1.10 1.10 !I6N-T53CG2
assign (segid "GB1F" and resid  53 and name  N)(segid "GB1F" and resid  53 and name CG2) 3.12 0.12 0.12 !T53N-CG2
!violates calc6
!assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CG2) 3.47 0.10 0.10 !E56N-T55CG2
assign (segid "GB1F" and resid  56 and name  N)(segid "GB1F" and resid  55 and name CG2) 3.47 1.10 1.10 !E56N-T55CG2
assign (segid "GB1F" and resid   8 and name ND2)(segid "GB1F" and resid  55 and name CG2) 4.39 3.39 7.09 !N8ND2-T55CG2
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  55 and name CG2) 3.46 0.10 0.10 !T55N-CG2
assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  55 and name CG2) 5.72 0.10 0.10 !W43N-T55CG2
assign (segid "GB1F" and resid  30 and name  N)(segid "GB1F" and resid  29 and name CG1) 3.57 0.24 0.24 !F30N-V29CG1
assign (segid "GB1F" and resid  29 and name  N)(segid "GB1F" and resid  29 and name CG2) 2.75 0.50 0.50 !V29N-CG2
!violates calc4
!assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  39 and name CG1) 3.81 0.10 0.10 !D40N-V39CG1
assign (segid "GB1F" and resid  40 and name  N)(segid "GB1F" and resid  39 and name CG1) 3.81 1.10 1.10 !D40N-V39CG1
assign (segid "GB1F" and resid   9 and name  N)(segid "GB1F" and resid  39 and name CG1) 5.67 0.10 0.10 !G9N-V39CG1
assign (segid "GB1F" and resid  39 and name  N)(segid "GB1F" and resid  39 and name CG1) 3.11 0.34 0.34 !V39N-CG1
assign (segid "GB1F" and resid  55 and name  N)(segid "GB1F" and resid  54 and name CG1) 4.20 0.10 0.10 !T55N-V54CG1
assign (segid "GB1F" and resid  54 and name  N)(segid "GB1F" and resid  54 and name CG1) 3.18 2.18 6.39 !V54N-CG1
!violates calc1
!assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  54 and name CG1) 4.90 0.10 0.10 !W43N-V54CG1
!violates again calc4 removed
!assign (segid "GB1F" and resid  43 and name  N)(segid "GB1F" and resid  54 and name CG1) 4.90 1.10 1.10 !W43N-V54CG1
assign (segid "GB1F" and resid  41 and name  N)(segid "GB1F" and resid  54 and name CG2) 2.93 0.10 0.10 !G41N-V54CG2
assign (segid "GB1F" and resid  34 and name  N)(segid "GB1F" and resid  33 and name CG) 3.35 0.10 0.10 !A34N-Y33CG
assign (segid "GB1F" and resid  37 and name  N)(segid "GB1F" and resid  33 and name CG) 5.27 0.11 0.11 !N37N-Y33CG
!violates calc6
!assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  33 and name CG) 3.86 0.10 0.10 !N37ND2-Y33CG
assign (segid "GB1F" and resid  37 and name ND2)(segid "GB1F" and resid  33 and name CG) 3.86 1.10 1.10 !N37ND2-Y33CG
assign (segid "GB1F" and resid  33 and name  N)(segid "GB1F" and resid  33 and name CG) 3.47 0.10 0.10 !Y33N-CG
assign (segid "GB1F" and resid   4 and name  N)(segid "GB1F" and resid   3 and name CG) 4.15 0.27 0.27 !K4N-Y3CG
assign (segid "GB1F" and resid   1 and name  N)(segid "GB1F" and resid   3 and name CG) 6.34 3.28 3.28 !M1N-Y3CG
assign (segid "GB1F" and resid  18 and name  N)(segid "GB1F" and resid   3 and name CG) 5.56 1.21 1.21 !T18N-Y3CG
assign (segid "GB1F" and resid   3 and name  N)(segid "GB1F" and resid   3 and name CG) 3.07 0.34 0.34 !Y3N-CG
assign (segid "GB1F" and resid  50 and name NZ)(segid "GB1F" and resid   3 and name CG) 6.69 5.69 6.95 !K50NZ-Y3CG
assign (segid "GB1F" and resid   2 and name  N)(segid "GB1F" and resid   3 and name CG) 4.65 0.48 0.48 !Q2N-Y3CG
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid   3 and name CG) 6.08 2.37 2.37 !T51N-Y3CG
assign (segid "GB1F" and resid  46 and name  N)(segid "GB1F" and resid  45 and name CG) 3.27 0.10 0.10 !D46N-Y45CG
assign (segid "GB1F" and resid  47 and name  N)(segid "GB1F" and resid  45 and name CG) 4.19 0.10 0.10 !D47N-Y45CG
assign (segid "GB1F" and resid  52 and name  N)(segid "GB1F" and resid  45 and name CG) 4.93 0.52 0.52 !F52N-Y45CG
assign (segid "GB1F" and resid  51 and name  N)(segid "GB1F" and resid  45 and name CG) 5.08 0.55 0.55 !T51N-Y45CG
assign (segid "GB1F" and resid  45 and name  N)(segid "GB1F" and resid  45 and name CG) 3.67 0.29 0.29 !Y45N-CG


       
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  53.682  -2.760 100.191
    2    H2   MET   1           HT2      MET   1  52.179  -2.029  99.885
    3    H3   MET   1           HT3      MET   1  53.529  -1.076 100.266
    4    HA   MET   1           HA       MET   1  52.922  -1.084  97.888
    5    HB2  MET   1           HB2      MET   1  55.101  -0.500  97.647
    6    HB3  MET   1           HB1      MET   1  55.428  -1.216  99.206
    7    HG2  MET   1           HG2      MET   1  55.641  -3.471  97.900
    8    HG3  MET   1           HG1      MET   1  55.755  -2.449  96.468
    9    HE1  MET   1           HE1      MET   1  56.631  -3.021  99.935
   10    HE2  MET   1           HE2      MET   1  57.623  -1.598 100.208
   11    HE3  MET   1           HE3      MET   1  58.392  -3.151  99.966
   12    H    GLN   2           HN       GLN   2  53.676  -2.472  95.887
   13    HA   GLN   2           HA       GLN   2  52.809  -5.274  96.340
   14    HB2  GLN   2           HB2      GLN   2  52.035  -3.375  94.114
   15    HB3  GLN   2           HB1      GLN   2  51.710  -5.106  94.091
   16    HG2  GLN   2           HG2      GLN   2  50.322  -4.926  96.076
   17    HG3  GLN   2           HG1      GLN   2  50.751  -3.227  96.266
   18   HE21  GLN   2          HE21      GLN   2  50.543  -3.124  93.025
   19   HE22  GLN   2          HE22      GLN   2  48.872  -2.935  92.792
   20    H    TYR   3           HN       TYR   3  53.893  -6.839  95.259
   21    HA   TYR   3           HA       TYR   3  56.063  -5.984  93.436
   22    HB2  TYR   3           HB2      TYR   3  56.103  -8.625  94.864
   23    HB3  TYR   3           HB1      TYR   3  57.435  -7.693  94.179
   24    HD1  TYR   3           HD2      TYR   3  54.769  -7.489  96.783
   25    HD2  TYR   3           HD1      TYR   3  58.739  -6.355  95.603
   26    HE1  TYR   3           HE2      TYR   3  55.134  -6.448  99.001
   27    HE2  TYR   3           HE1      TYR   3  59.106  -5.320  97.825
   28    HH   TYR   3           HH       TYR   3  56.489  -5.083 100.191
   29    H    LYS   4           HN       LYS   4  56.430  -7.328  91.644
   30    HA   LYS   4           HA       LYS   4  54.049  -8.948  90.862
   31    HB2  LYS   4           HB2      LYS   4  54.359  -6.748  89.693
   32    HB3  LYS   4           HB1      LYS   4  55.896  -7.346  89.079
   33    HG2  LYS   4           HG2      LYS   4  54.737  -9.181  87.915
   34    HG3  LYS   4           HG1      LYS   4  53.189  -8.621  88.556
   35    HD2  LYS   4           HD2      LYS   4  53.391  -6.509  87.375
   36    HD3  LYS   4           HD1      LYS   4  55.029  -6.906  86.857
   37    HE2  LYS   4           HE2      LYS   4  53.678  -7.392  84.973
   38    HE3  LYS   4           HE1      LYS   4  53.972  -8.962  85.716
   39    HZ1  LYS   4           HZ1      LYS   4  51.560  -7.275  86.066
   40    HZ2  LYS   4           HZ2      LYS   4  51.850  -8.737  86.883
   41    HZ3  LYS   4           HZ3      LYS   4  51.656  -8.727  85.195
   42    H    LEU   5           HN       LEU   5  54.432 -11.050  90.413
   43    HA   LEU   5           HA       LEU   5  57.218 -11.872  89.845
   44    HB2  LEU   5           HB2      LEU   5  56.317 -12.927  91.843
   45    HB3  LEU   5           HB1      LEU   5  54.902 -13.448  90.971
   46    HG   LEU   5           HG       LEU   5  56.833 -15.151  91.491
   47   HD11  LEU   5          HD11      LEU   5  56.294 -16.462  89.492
   48   HD12  LEU   5          HD12      LEU   5  55.534 -15.054  88.770
   49   HD13  LEU   5          HD13      LEU   5  54.866 -15.757  90.239
   50   HD21  LEU   5          HD21      LEU   5  58.560 -13.642  90.283
   51   HD22  LEU   5          HD22      LEU   5  57.899 -14.320  88.811
   52   HD23  LEU   5          HD23      LEU   5  58.618 -15.370  90.014
   53    H    ILE   6           HN       ILE   6  57.691 -12.628  87.903
   54    HA   ILE   6           HA       ILE   6  55.534 -12.963  85.919
   55    HB   ILE   6           HB       ILE   6  58.523 -12.942  85.449
   56   HG12  ILE   6          HG12      ILE   6  57.824 -10.847  86.580
   57   HG13  ILE   6          HG11      ILE   6  58.336 -10.561  84.921
   58   HG21  ILE   6          HG21      ILE   6  56.148 -12.454  83.647
   59   HG22  ILE   6          HG22      ILE   6  57.158 -13.898  83.671
   60   HG23  ILE   6          HG23      ILE   6  57.837 -12.354  83.157
   61   HD11  ILE   6          HD11      ILE   6  55.517 -10.662  86.003
   62   HD12  ILE   6          HD12      ILE   6  55.883 -10.634  84.280
   63   HD13  ILE   6          HD13      ILE   6  56.348  -9.279  85.301
   64    H    LEU   7           HN       LEU   7  55.064 -14.895  85.110
   65    HA   LEU   7           HA       LEU   7  56.461 -17.227  86.206
   66    HB2  LEU   7           HB2      LEU   7  54.020 -16.884  84.490
   67    HB3  LEU   7           HB1      LEU   7  54.685 -18.453  84.846
   68    HG   LEU   7           HG       LEU   7  54.461 -17.277  87.385
   69   HD11  LEU   7          HD11      LEU   7  52.307 -16.203  85.602
   70   HD12  LEU   7          HD12      LEU   7  53.060 -15.492  87.004
   71   HD13  LEU   7          HD13      LEU   7  51.839 -16.738  87.209
   72   HD21  LEU   7          HD21      LEU   7  53.870 -19.604  86.640
   73   HD22  LEU   7          HD22      LEU   7  52.347 -18.958  86.036
   74   HD23  LEU   7          HD23      LEU   7  52.712 -18.888  87.755
   75    H    ASN   8           HN       ASN   8  58.227 -17.893  85.146
   76    HA   ASN   8           HA       ASN   8  58.100 -18.181  82.222
   77    HB2  ASN   8           HB2      ASN   8  60.675 -17.639  82.401
   78    HB3  ASN   8           HB1      ASN   8  59.504 -16.331  82.264
   79   HD21  ASN   8          HD21      ASN   8  62.247 -16.972  83.864
   80   HD22  ASN   8          HD22      ASN   8  61.929 -16.220  85.353
   81    H    GLY   9           HN       GLY   9  57.601 -20.373  82.664
   82    HA2  GLY   9           HA2      GLY   9  59.885 -21.958  83.724
   83    HA3  GLY   9           HA1      GLY   9  58.216 -22.349  84.115
   84    H    LYS  10           HN       LYS  10  58.585 -24.455  83.222
   85    HA   LYS  10           HA       LYS  10  59.366 -24.831  80.536
   86    HB2  LYS  10           HB2      LYS  10  57.539 -26.763  81.967
   87    HB3  LYS  10           HB1      LYS  10  58.839 -27.104  80.823
   88    HG2  LYS  10           HG2      LYS  10  60.266 -25.833  82.787
   89    HG3  LYS  10           HG1      LYS  10  58.994 -26.562  83.762
   90    HD2  LYS  10           HD2      LYS  10  59.541 -28.772  82.877
   91    HD3  LYS  10           HD1      LYS  10  60.745 -28.068  81.797
   92    HE2  LYS  10           HE2      LYS  10  62.058 -27.291  83.701
   93    HE3  LYS  10           HE1      LYS  10  60.826 -27.871  84.822
   94    HZ1  LYS  10           HZ1      LYS  10  62.969 -29.291  83.935
   95    HZ2  LYS  10           HZ2      LYS  10  61.693 -29.890  82.985
   96    HZ3  LYS  10           HZ3      LYS  10  61.591 -29.940  84.681
   97    H    THR  11           HN       THR  11  55.996 -24.864  81.945
   98    HA   THR  11           HA       THR  11  55.165 -23.586  79.491
   99    HB   THR  11           HB       THR  11  53.107 -25.364  80.557
  100    HG1  THR  11           HG1      THR  11  54.793 -26.764  80.978
  101   HG21  THR  11          HG21      THR  11  54.525 -24.999  77.933
  102   HG22  THR  11          HG22      THR  11  53.107 -24.100  78.475
  103   HG23  THR  11          HG23      THR  11  53.004 -25.822  78.161
  104    H    LEU  12           HN       LEU  12  55.427 -23.366  82.784
  105    HA   LEU  12           HA       LEU  12  52.811 -22.131  83.029
  106    HB2  LEU  12           HB2      LEU  12  54.809 -23.057  84.869
  107    HB3  LEU  12           HB1      LEU  12  54.489 -21.367  85.232
  108    HG   LEU  12           HG       LEU  12  52.565 -23.620  85.125
  109   HD11  LEU  12          HD11      LEU  12  52.015 -22.817  87.434
  110   HD12  LEU  12          HD12      LEU  12  53.414 -21.760  87.291
  111   HD13  LEU  12          HD13      LEU  12  53.621 -23.510  87.225
  112   HD21  LEU  12          HD21      LEU  12  52.071 -20.784  84.688
  113   HD22  LEU  12          HD22      LEU  12  51.088 -21.436  85.987
  114   HD23  LEU  12          HD23      LEU  12  51.013 -22.115  84.412
  115    H    LYS  13           HN       LYS  13  52.466 -20.215  82.031
  116    HA   LYS  13           HA       LYS  13  54.401 -18.047  82.555
  117    HB2  LYS  13           HB2      LYS  13  53.438 -18.825  79.803
  118    HB3  LYS  13           HB1      LYS  13  54.171 -17.268  80.165
  119    HG2  LYS  13           HG2      LYS  13  56.159 -18.255  79.707
  120    HG3  LYS  13           HG1      LYS  13  56.007 -19.036  81.274
  121    HD2  LYS  13           HD2      LYS  13  54.583 -20.813  79.887
  122    HD3  LYS  13           HD1      LYS  13  55.499 -20.155  78.529
  123    HE2  LYS  13           HE2      LYS  13  56.826 -21.942  79.318
  124    HE3  LYS  13           HE1      LYS  13  57.581 -20.516  80.026
  125    HZ1  LYS  13           HZ1      LYS  13  57.005 -21.145  82.074
  126    HZ2  LYS  13           HZ2      LYS  13  56.723 -22.681  81.410
  127    HZ3  LYS  13           HZ3      LYS  13  55.441 -21.587  81.607
  128    H    GLY  14           HN       GLY  14  53.530 -16.200  83.033
  129    HA2  GLY  14           HA2      GLY  14  51.371 -14.842  81.954
  130    HA3  GLY  14           HA1      GLY  14  50.753 -15.739  83.336
  131    H    GLU  15           HN       GLU  15  50.389 -13.682  84.570
  132    HA   GLU  15           HA       GLU  15  52.990 -12.747  85.700
  133    HB2  GLU  15           HB2      GLU  15  50.561 -10.983  85.683
  134    HB3  GLU  15           HB1      GLU  15  52.228 -10.564  86.021
  135    HG2  GLU  15           HG2      GLU  15  51.358 -11.597  83.335
  136    HG3  GLU  15           HG1      GLU  15  51.312  -9.888  83.746
  137    H    THR  16           HN       THR  16  52.832 -11.962  87.937
  138    HA   THR  16           HA       THR  16  50.528 -12.882  89.487
  139    HB   THR  16           HB       THR  16  52.708 -13.794  91.015
  140    HG1  THR  16           HG1      THR  16  54.089 -13.910  89.350
  141   HG21  THR  16          HG21      THR  16  50.788 -15.321  89.262
  142   HG22  THR  16          HG22      THR  16  50.521 -14.839  90.938
  143   HG23  THR  16          HG23      THR  16  51.770 -16.022  90.548
  144    H    THR  17           HN       THR  17  50.329 -11.834  91.518
  145    HA   THR  17           HA       THR  17  52.408  -9.884  92.234
  146    HB   THR  17           HB       THR  17  49.581  -8.883  92.028
  147    HG1  THR  17           HG1      THR  17  51.525  -9.071  89.982
  148   HG21  THR  17          HG21      THR  17  50.615  -6.753  92.005
  149   HG22  THR  17          HG22      THR  17  52.186  -7.424  91.590
  150   HG23  THR  17          HG23      THR  17  51.523  -7.656  93.204
  151    H    THR  18           HN       THR  18  52.089  -8.859  94.302
  152    HA   THR  18           HA       THR  18  50.086  -9.903  96.100
  153    HB   THR  18           HB       THR  18  52.003 -11.607  96.023
  154    HG1  THR  18           HG1      THR  18  52.100 -11.420  98.478
  155   HG21  THR  18          HG21      THR  18  53.420  -9.577  97.738
  156   HG22  THR  18          HG22      THR  18  53.731  -9.684  96.007
  157   HG23  THR  18          HG23      THR  18  54.056 -11.069  97.052
  158    H    GLU  19           HN       GLU  19  49.993  -8.707  98.057
  159    HA   GLU  19           HA       GLU  19  51.293  -6.042  97.957
  160    HB2  GLU  19           HB2      GLU  19  48.787  -6.182  97.965
  161    HB3  GLU  19           HB1      GLU  19  48.874  -7.005  99.517
  162    HG2  GLU  19           HG2      GLU  19  48.514  -4.791 100.171
  163    HG3  GLU  19           HG1      GLU  19  50.267  -4.905 100.268
  164    H    ALA  20           HN       ALA  20  53.023  -5.800  99.353
  165    HA   ALA  20           HA       ALA  20  52.814  -6.889 102.051
  166    HB1  ALA  20           HB1      ALA  20  54.118  -8.382 100.037
  167    HB2  ALA  20           HB2      ALA  20  54.203  -8.665 101.771
  168    HB3  ALA  20           HB3      ALA  20  55.422  -7.666 100.983
  169    H    VAL  21           HN       VAL  21  54.596  -6.220 103.422
  170    HA   VAL  21           HA       VAL  21  55.382  -3.492 102.839
  171    HB   VAL  21           HB       VAL  21  54.770  -3.695 105.083
  172   HG11  VAL  21          HG11      VAL  21  56.033  -6.429 104.927
  173   HG12  VAL  21          HG12      VAL  21  54.331  -6.032 105.156
  174   HG13  VAL  21          HG13      VAL  21  55.491  -5.718 106.442
  175   HG21  VAL  21          HG21      VAL  21  56.716  -3.396 106.397
  176   HG22  VAL  21          HG22      VAL  21  57.277  -2.981 104.780
  177   HG23  VAL  21          HG23      VAL  21  57.643  -4.563 105.457
  178    H    ASP  22           HN       ASP  22  56.794  -6.682 103.369
  179    HA   ASP  22           HA       ASP  22  59.421  -5.593 102.516
  180    HB2  ASP  22           HB2      ASP  22  59.280  -6.781 104.713
  181    HB3  ASP  22           HB1      ASP  22  58.887  -8.245 103.817
  182    H    ALA  23           HN       ALA  23  60.660  -6.644 101.045
  183    HA   ALA  23           HA       ALA  23  59.237  -7.855  98.863
  184    HB1  ALA  23           HB1      ALA  23  61.107  -6.514  98.283
  185    HB2  ALA  23           HB2      ALA  23  61.606  -8.178  97.992
  186    HB3  ALA  23           HB3      ALA  23  62.151  -7.335  99.439
  187    H    ALA  24           HN       ALA  24  61.615  -8.951 101.270
  188    HA   ALA  24           HA       ALA  24  61.863 -11.611 100.405
  189    HB1  ALA  24           HB1      ALA  24  63.287 -10.425 102.156
  190    HB2  ALA  24           HB2      ALA  24  62.829 -12.083 102.544
  191    HB3  ALA  24           HB3      ALA  24  61.981 -10.735 103.301
  192    H    THR  25           HN       THR  25  59.337 -10.122 102.607
  193    HA   THR  25           HA       THR  25  58.162 -12.634 103.302
  194    HB   THR  25           HB       THR  25  57.901 -10.238 104.427
  195    HG1  THR  25           HG1      THR  25  55.799 -11.093 105.200
  196   HG21  THR  25          HG21      THR  25  55.224 -10.290 103.072
  197   HG22  THR  25          HG22      THR  25  56.558  -9.515 102.221
  198   HG23  THR  25          HG23      THR  25  56.069  -8.929 103.810
  199    H    ALA  26           HN       ALA  26  57.819 -10.422 100.607
  200    HA   ALA  26           HA       ALA  26  55.331 -11.408  99.634
  201    HB1  ALA  26           HB1      ALA  26  55.891  -9.288  98.804
  202    HB2  ALA  26           HB2      ALA  26  56.241 -10.334  97.429
  203    HB3  ALA  26           HB3      ALA  26  57.554  -9.756  98.453
  204    H    GLU  27           HN       GLU  27  58.656 -12.271  99.157
  205    HA   GLU  27           HA       GLU  27  58.279 -14.050  96.979
  206    HB2  GLU  27           HB2      GLU  27  60.549 -14.157  96.983
  207    HB3  GLU  27           HB1      GLU  27  60.463 -12.915  98.224
  208    HG2  GLU  27           HG2      GLU  27  60.420 -14.716  99.958
  209    HG3  GLU  27           HG1      GLU  27  60.636 -15.901  98.691
  210    H    LYS  28           HN       LYS  28  58.069 -14.427 100.450
  211    HA   LYS  28           HA       LYS  28  58.294 -17.197 100.689
  212    HB2  LYS  28           HB2      LYS  28  56.442 -15.255 102.105
  213    HB3  LYS  28           HB1      LYS  28  56.661 -16.933 102.595
  214    HG2  LYS  28           HG2      LYS  28  59.092 -16.506 102.842
  215    HG3  LYS  28           HG1      LYS  28  58.815 -14.808 102.461
  216    HD2  LYS  28           HD2      LYS  28  57.221 -14.716 104.425
  217    HD3  LYS  28           HD1      LYS  28  57.722 -16.357 104.838
  218    HE2  LYS  28           HE2      LYS  28  59.982 -15.674 105.272
  219    HE3  LYS  28           HE1      LYS  28  59.740 -14.115 104.497
  220    HZ1  LYS  28           HZ1      LYS  28  58.060 -13.629 106.414
  221    HZ2  LYS  28           HZ2      LYS  28  59.697 -13.651 106.860
  222    HZ3  LYS  28           HZ3      LYS  28  58.707 -14.986 107.205
  223    H    VAL  29           HN       VAL  29  55.557 -15.173  99.728
  224    HA   VAL  29           HA       VAL  29  53.719 -17.342  99.441
  225    HB   VAL  29           HB       VAL  29  53.579 -14.657  98.064
  226   HG11  VAL  29          HG11      VAL  29  51.955 -16.473  97.430
  227   HG12  VAL  29          HG12      VAL  29  51.188 -15.050  98.136
  228   HG13  VAL  29          HG13      VAL  29  51.414 -16.504  99.108
  229   HG21  VAL  29          HG21      VAL  29  52.880 -15.456 100.902
  230   HG22  VAL  29          HG22      VAL  29  52.256 -14.001 100.129
  231   HG23  VAL  29          HG23      VAL  29  53.990 -14.185 100.390
  232    H    PHE  30           HN       PHE  30  55.532 -15.374  97.070
  233    HA   PHE  30           HA       PHE  30  54.723 -16.756  94.774
  234    HB2  PHE  30           HB2      PHE  30  57.245 -15.199  95.268
  235    HB3  PHE  30           HB1      PHE  30  56.713 -15.753  93.695
  236    HD1  PHE  30           HD1      PHE  30  53.898 -15.176  93.475
  237    HD2  PHE  30           HD2      PHE  30  56.943 -12.904  95.500
  238    HE1  PHE  30           HE1      PHE  30  52.547 -13.124  93.231
  239    HE2  PHE  30           HE2      PHE  30  55.585 -10.867  95.239
  240    HZ   PHE  30           HZ       PHE  30  53.391 -10.971  94.101
  241    H    LYS  31           HN       LYS  31  57.669 -17.230  96.766
  242    HA   LYS  31           HA       LYS  31  58.678 -19.228  94.988
  243    HB2  LYS  31           HB2      LYS  31  59.459 -18.074  97.598
  244    HB3  LYS  31           HB1      LYS  31  60.066 -19.679  97.269
  245    HG2  LYS  31           HG2      LYS  31  61.262 -18.971  95.373
  246    HG3  LYS  31           HG1      LYS  31  60.307 -17.514  95.203
  247    HD2  LYS  31           HD2      LYS  31  61.557 -16.329  96.700
  248    HD3  LYS  31           HD1      LYS  31  61.729 -17.695  97.792
  249    HE2  LYS  31           HE2      LYS  31  63.311 -18.248  95.454
  250    HE3  LYS  31           HE1      LYS  31  63.686 -16.624  96.019
  251    HZ1  LYS  31           HZ1      LYS  31  63.358 -18.587  98.108
  252    HZ2  LYS  31           HZ2      LYS  31  64.531 -17.373  97.919
  253    HZ3  LYS  31           HZ3      LYS  31  64.689 -18.849  97.091
  254    H    GLN  32           HN       GLN  32  56.736 -19.302  97.930
  255    HA   GLN  32           HA       GLN  32  56.763 -22.169  98.147
  256    HB2  GLN  32           HB2      GLN  32  56.281 -20.574 100.034
  257    HB3  GLN  32           HB1      GLN  32  54.739 -20.216  99.254
  258    HG2  GLN  32           HG2      GLN  32  54.236 -22.690  99.307
  259    HG3  GLN  32           HG1      GLN  32  55.683 -22.901 100.291
  260   HE21  GLN  32          HE21      GLN  32  52.339 -22.557 100.571
  261   HE22  GLN  32          HE22      GLN  32  52.266 -21.874 102.123
  262    H    TYR  33           HN       TYR  33  54.835 -19.712  96.599
  263    HA   TYR  33           HA       TYR  33  52.608 -21.288  95.852
  264    HB2  TYR  33           HB2      TYR  33  52.363 -18.939  95.847
  265    HB3  TYR  33           HB1      TYR  33  53.839 -18.727  94.913
  266    HD1  TYR  33           HD2      TYR  33  50.347 -19.896  94.784
  267    HD2  TYR  33           HD1      TYR  33  53.862 -18.891  92.527
  268    HE1  TYR  33           HE2      TYR  33  49.019 -19.953  92.693
  269    HE2  TYR  33           HE1      TYR  33  52.531 -18.945  90.434
  270    HH   TYR  33           HH       TYR  33  50.508 -19.190  89.547
  271    H    ALA  34           HN       ALA  34  55.732 -20.594  94.403
  272    HA   ALA  34           HA       ALA  34  55.270 -21.511  91.799
  273    HB1  ALA  34           HB1      ALA  34  57.702 -21.267  93.541
  274    HB2  ALA  34           HB2      ALA  34  57.313 -20.411  92.050
  275    HB3  ALA  34           HB3      ALA  34  57.835 -22.093  91.990
  276    H    ASN  35           HN       ASN  35  56.081 -23.336  94.811
  277    HA   ASN  35           HA       ASN  35  56.558 -25.813  93.563
  278    HB2  ASN  35           HB2      ASN  35  56.882 -24.965  96.053
  279    HB3  ASN  35           HB1      ASN  35  55.266 -25.635  96.270
  280   HD21  ASN  35          HD21      ASN  35  55.282 -27.885  96.853
  281   HD22  ASN  35          HD22      ASN  35  56.535 -28.960  96.456
  282    H    ASP  36           HN       ASP  36  53.615 -24.302  94.891
  283    HA   ASP  36           HA       ASP  36  51.853 -26.450  94.313
  284    HB2  ASP  36           HB2      ASP  36  50.978 -23.570  94.397
  285    HB3  ASP  36           HB1      ASP  36  50.145 -25.003  95.002
  286    H    ASN  37           HN       ASN  37  53.275 -23.954  92.389
  287    HA   ASN  37           HA       ASN  37  51.288 -24.225  90.264
  288    HB2  ASN  37           HB2      ASN  37  53.160 -22.228  91.185
  289    HB3  ASN  37           HB1      ASN  37  53.448 -22.541  89.488
  290   HD21  ASN  37          HD21      ASN  37  52.518 -20.535  88.742
  291   HD22  ASN  37          HD22      ASN  37  50.859 -20.206  88.878
  292    H    GLY  38           HN       GLY  38  54.543 -25.367  91.023
  293    HA2  GLY  38           HA2      GLY  38  55.345 -27.361  89.946
  294    HA3  GLY  38           HA1      GLY  38  54.507 -26.883  88.479
  295    H    VAL  39           HN       VAL  39  55.515 -24.109  88.502
  296    HA   VAL  39           HA       VAL  39  58.067 -24.654  87.246
  297    HB   VAL  39           HB       VAL  39  56.713 -23.059  86.118
  298   HG11  VAL  39          HG11      VAL  39  55.392 -22.459  88.217
  299   HG12  VAL  39          HG12      VAL  39  55.721 -21.139  87.114
  300   HG13  VAL  39          HG13      VAL  39  56.669 -21.318  88.578
  301   HG21  VAL  39          HG21      VAL  39  59.137 -22.477  86.261
  302   HG22  VAL  39          HG22      VAL  39  58.775 -21.429  87.621
  303   HG23  VAL  39          HG23      VAL  39  58.104 -21.075  86.036
  304    H    ASP  40           HN       ASP  40  59.769 -24.983  88.481
  305    HA   ASP  40           HA       ASP  40  60.380 -23.040  90.641
  306    HB2  ASP  40           HB2      ASP  40  59.675 -25.429  91.373
  307    HB3  ASP  40           HB1      ASP  40  61.227 -25.939  90.717
  308    H    GLY  41           HN       GLY  41  62.082 -21.809  89.795
  309    HA2  GLY  41           HA2      GLY  41  64.393 -23.321  88.744
  310    HA3  GLY  41           HA1      GLY  41  63.689 -22.067  87.744
  311    H    GLU  42           HN       GLU  42  65.712 -20.843  87.785
  312    HA   GLU  42           HA       GLU  42  66.825 -20.028  90.269
  313    HB2  GLU  42           HB2      GLU  42  67.385 -18.526  87.753
  314    HB3  GLU  42           HB1      GLU  42  68.492 -19.031  89.020
  315    HG2  GLU  42           HG2      GLU  42  67.258 -20.779  86.875
  316    HG3  GLU  42           HG1      GLU  42  68.960 -20.384  87.076
  317    H    TRP  43           HN       TRP  43  66.760 -17.912  91.134
  318    HA   TRP  43           HA       TRP  43  64.361 -16.355  90.344
  319    HB2  TRP  43           HB2      TRP  43  65.500 -16.993  93.054
  320    HB3  TRP  43           HB1      TRP  43  64.213 -15.822  92.778
  321    HD1  TRP  43           HD1      TRP  43  64.874 -19.643  92.484
  322    HE1  TRP  43           HE1      TRP  43  62.572 -20.814  92.461
  323    HE3  TRP  43           HE3      TRP  43  61.886 -15.570  92.411
  324    HZ2  TRP  43           HZ2      TRP  43  59.792 -20.071  92.453
  325    HZ3  TRP  43           HZ3      TRP  43  59.447 -15.796  92.419
  326    HH2  TRP  43           HH2      TRP  43  58.382 -18.030  92.441
  327    H    THR  44           HN       THR  44  64.392 -14.297  90.415
  328    HA   THR  44           HA       THR  44  66.709 -12.830  91.401
  329    HB   THR  44           HB       THR  44  66.988 -12.834  89.029
  330    HG1  THR  44           HG1      THR  44  66.328 -10.667  90.403
  331   HG21  THR  44          HG21      THR  44  64.020 -12.364  89.046
  332   HG22  THR  44          HG22      THR  44  64.940 -13.581  88.164
  333   HG23  THR  44          HG23      THR  44  64.992 -11.896  87.655
  334    H    TYR  45           HN       TYR  45  66.121 -10.496  92.057
  335    HA   TYR  45           HA       TYR  45  63.198 -10.212  92.210
  336    HB2  TYR  45           HB2      TYR  45  63.574 -11.064  94.379
  337    HB3  TYR  45           HB1      TYR  45  65.043 -10.109  94.581
  338    HD1  TYR  45           HD2      TYR  45  61.587  -9.216  93.342
  339    HD2  TYR  45           HD1      TYR  45  64.703  -8.447  96.199
  340    HE1  TYR  45           HE2      TYR  45  60.324  -7.286  94.190
  341    HE2  TYR  45           HE1      TYR  45  63.429  -6.499  97.044
  342    HH   TYR  45           HH       TYR  45  61.690  -5.123  96.637
  343    H    ASP  46           HN       ASP  46  62.646  -8.366  91.363
  344    HA   ASP  46           HA       ASP  46  64.703  -6.320  91.303
  345    HB2  ASP  46           HB2      ASP  46  63.072  -6.704  89.239
  346    HB3  ASP  46           HB1      ASP  46  61.916  -5.836  90.236
  347    H    ASP  47           HN       ASP  47  64.992  -5.173  93.058
  348    HA   ASP  47           HA       ASP  47  62.598  -4.540  94.712
  349    HB2  ASP  47           HB2      ASP  47  64.926  -5.345  95.685
  350    HB3  ASP  47           HB1      ASP  47  65.377  -3.658  95.429
  351    H    ALA  48           HN       ALA  48  64.430  -3.530  92.269
  352    HA   ALA  48           HA       ALA  48  64.516  -0.713  92.695
  353    HB1  ALA  48           HB1      ALA  48  64.960  -1.421  89.972
  354    HB2  ALA  48           HB2      ALA  48  65.600  -2.759  90.924
  355    HB3  ALA  48           HB3      ALA  48  66.188  -1.122  91.199
  356    H    THR  49           HN       THR  49  62.318  -3.002  91.169
  357    HA   THR  49           HA       THR  49  60.355  -0.912  90.507
  358    HB   THR  49           HB       THR  49  59.727  -2.621  88.577
  359    HG1  THR  49           HG1      THR  49  62.479  -3.091  88.568
  360   HG21  THR  49          HG21      THR  49  61.370  -1.516  87.049
  361   HG22  THR  49          HG22      THR  49  62.130  -0.801  88.471
  362   HG23  THR  49          HG23      THR  49  60.462  -0.396  88.064
  363    H    LYS  50           HN       LYS  50  61.093  -3.503  92.448
  364    HA   LYS  50           HA       LYS  50  59.854  -5.006  93.664
  365    HB2  LYS  50           HB2      LYS  50  57.354  -3.577  92.764
  366    HB3  LYS  50           HB1      LYS  50  57.658  -4.410  94.287
  367    HG2  LYS  50           HG2      LYS  50  58.999  -1.831  93.409
  368    HG3  LYS  50           HG1      LYS  50  57.687  -1.953  94.575
  369    HD2  LYS  50           HD2      LYS  50  59.125  -3.383  96.012
  370    HD3  LYS  50           HD1      LYS  50  60.445  -3.181  94.862
  371    HE2  LYS  50           HE2      LYS  50  60.609  -0.857  95.275
  372    HE3  LYS  50           HE1      LYS  50  59.062  -0.820  96.119
  373    HZ1  LYS  50           HZ1      LYS  50  60.421  -2.651  97.526
  374    HZ2  LYS  50           HZ2      LYS  50  60.327  -1.005  97.936
  375    HZ3  LYS  50           HZ3      LYS  50  61.669  -1.596  97.079
  376    H    THR  51           HN       THR  51  60.671  -6.049  91.389
  377    HA   THR  51           HA       THR  51  58.326  -7.602  90.461
  378    HB   THR  51           HB       THR  51  60.398  -6.358  88.625
  379    HG1  THR  51           HG1      THR  51  58.662  -5.294  87.823
  380   HG21  THR  51          HG21      THR  51  59.004  -7.559  86.841
  381   HG22  THR  51          HG22      THR  51  58.352  -8.537  88.155
  382   HG23  THR  51          HG23      THR  51  60.079  -8.576  87.801
  383    H    PHE  52           HN       PHE  52  58.638  -9.789  90.658
  384    HA   PHE  52           HA       PHE  52  61.382 -10.845  90.960
  385    HB2  PHE  52           HB2      PHE  52  58.642 -11.865  91.712
  386    HB3  PHE  52           HB1      PHE  52  60.096 -12.853  91.826
  387    HD1  PHE  52           HD2      PHE  52  58.444  -9.752  93.101
  388    HD2  PHE  52           HD1      PHE  52  61.582 -12.642  93.633
  389    HE1  PHE  52           HE2      PHE  52  58.863  -8.909  95.408
  390    HE2  PHE  52           HE1      PHE  52  61.973 -11.799  95.928
  391    HZ   PHE  52           HZ       PHE  52  60.612  -9.934  96.811
  392    H    THR  53           HN       THR  53  61.899 -12.869  89.775
  393    HA   THR  53           HA       THR  53  59.945 -13.783  87.806
  394    HB   THR  53           HB       THR  53  61.388 -13.580  85.865
  395    HG1  THR  53           HG1      THR  53  63.348 -12.450  86.050
  396   HG21  THR  53          HG21      THR  53  59.937 -11.607  86.651
  397   HG22  THR  53          HG22      THR  53  61.153 -11.273  85.447
  398   HG23  THR  53          HG23      THR  53  61.439 -10.847  87.132
  399    H    VAL  54           HN       VAL  54  60.073 -16.074  87.640
  400    HA   VAL  54           HA       VAL  54  62.582 -17.311  88.643
  401    HB   VAL  54           HB       VAL  54  60.640 -17.797  90.059
  402   HG11  VAL  54          HG11      VAL  54  59.477 -19.222  87.653
  403   HG12  VAL  54          HG12      VAL  54  58.998 -17.593  88.120
  404   HG13  VAL  54          HG13      VAL  54  58.710 -18.944  89.214
  405   HG21  VAL  54          HG21      VAL  54  60.944 -20.221  90.114
  406   HG22  VAL  54          HG22      VAL  54  62.488 -19.482  89.691
  407   HG23  VAL  54          HG23      VAL  54  61.497 -20.229  88.439
  408    H    THR  55           HN       THR  55  63.768 -18.521  87.249
  409    HA   THR  55           HA       THR  55  62.505 -19.457  84.724
  410    HB   THR  55           HB       THR  55  64.206 -17.433  84.714
  411    HG1  THR  55           HG1      THR  55  63.811 -17.992  82.739
  412   HG21  THR  55          HG21      THR  55  66.150 -19.756  84.570
  413   HG22  THR  55          HG22      THR  55  65.906 -18.808  86.034
  414   HG23  THR  55          HG23      THR  55  66.525 -18.045  84.592
  415    H    GLU  56           HN       GLU  56  62.610 -21.668  84.391
  416    HA   GLU  56           HA       GLU  56  64.753 -23.178  85.801
  417    HB2  GLU  56           HB2      GLU  56  63.016 -25.122  85.392
  418    HB3  GLU  56           HB1      GLU  56  62.804 -24.017  86.750
  419    HG2  GLU  56           HG2      GLU  56  61.258 -22.659  85.468
  420    HG3  GLU  56           HG1      GLU  56  61.516 -23.655  84.037
  421    H1   MET   1           HT1      MET   1  68.934 -22.745  69.673
  422    H2   MET   1           HT2      MET   1  68.106 -24.089  70.301
  423    H3   MET   1           HT3      MET   1  69.440 -24.313  69.273
  424    HA   MET   1           HA       MET   1  69.967 -24.731  71.611
  425    HB2  MET   1           HB2      MET   1  72.060 -24.145  70.924
  426    HB3  MET   1           HB1      MET   1  71.348 -23.173  69.653
  427    HG2  MET   1           HG2      MET   1  71.136 -21.323  71.516
  428    HG3  MET   1           HG1      MET   1  72.310 -22.312  72.382
  429    HE1  MET   1           HE1      MET   1  71.156 -20.864  69.271
  430    HE2  MET   1           HE2      MET   1  72.349 -21.553  68.181
  431    HE3  MET   1           HE3      MET   1  72.487 -19.869  68.667
  432    H    GLN   2           HN       GLN   2  70.775 -23.279  73.595
  433    HA   GLN   2           HA       GLN   2  68.656 -21.281  74.202
  434    HB2  GLN   2           HB2      GLN   2  69.801 -23.443  75.987
  435    HB3  GLN   2           HB1      GLN   2  68.775 -22.131  76.558
  436    HG2  GLN   2           HG2      GLN   2  66.938 -22.883  75.168
  437    HG3  GLN   2           HG1      GLN   2  67.962 -24.097  74.402
  438   HE21  GLN   2          HE21      GLN   2  69.168 -24.439  77.422
  439   HE22  GLN   2          HE22      GLN   2  68.046 -25.509  78.111
  440    H    TYR   3           HN       TYR   3  69.269 -19.466  75.319
  441    HA   TYR   3           HA       TYR   3  72.137 -19.221  76.020
  442    HB2  TYR   3           HB2      TYR   3  70.415 -16.826  75.458
  443    HB3  TYR   3           HB1      TYR   3  72.169 -16.992  75.384
  444    HD1  TYR   3           HD2      TYR   3  69.045 -18.326  73.836
  445    HD2  TYR   3           HD1      TYR   3  73.187 -17.323  73.296
  446    HE1  TYR   3           HE2      TYR   3  68.850 -18.813  71.416
  447    HE2  TYR   3           HE1      TYR   3  72.986 -17.804  70.872
  448    HH   TYR   3           HH       TYR   3  70.093 -19.247  69.520
  449    H    LYS   4           HN       LYS   4  72.597 -17.994  77.881
  450    HA   LYS   4           HA       LYS   4  70.333 -17.868  79.822
  451    HB2  LYS   4           HB2      LYS   4  72.043 -19.681  80.183
  452    HB3  LYS   4           HB1      LYS   4  73.252 -18.422  80.404
  453    HG2  LYS   4           HG2      LYS   4  71.985 -17.524  82.319
  454    HG3  LYS   4           HG1      LYS   4  70.753 -18.769  82.093
  455    HD2  LYS   4           HD2      LYS   4  72.352 -20.533  82.553
  456    HD3  LYS   4           HD1      LYS   4  73.686 -19.381  82.577
  457    HE2  LYS   4           HE2      LYS   4  73.189 -19.775  84.861
  458    HE3  LYS   4           HE1      LYS   4  72.427 -18.227  84.499
  459    HZ1  LYS   4           HZ1      LYS   4  71.091 -20.874  84.535
  460    HZ2  LYS   4           HZ2      LYS   4  70.344 -19.412  84.098
  461    HZ3  LYS   4           HZ3      LYS   4  70.906 -19.642  85.685
  462    H    LEU   5           HN       LEU   5  69.922 -15.901  80.671
  463    HA   LEU   5           HA       LEU   5  72.016 -13.812  80.451
  464    HB2  LEU   5           HB2      LEU   5  69.999 -13.239  79.227
  465    HB3  LEU   5           HB1      LEU   5  69.007 -13.602  80.608
  466    HG   LEU   5           HG       LEU   5  69.528 -11.109  79.975
  467   HD11  LEU   5          HD11      LEU   5  69.316 -10.403  82.304
  468   HD12  LEU   5          HD12      LEU   5  69.688 -12.032  82.842
  469   HD13  LEU   5          HD13      LEU   5  68.222 -11.723  81.914
  470   HD21  LEU   5          HD21      LEU   5  72.070 -11.574  80.117
  471   HD22  LEU   5          HD22      LEU   5  71.845 -11.429  81.850
  472   HD23  LEU   5          HD23      LEU   5  71.442 -10.087  80.797
  473    H    ILE   6           HN       ILE   6  72.899 -13.054  82.270
  474    HA   ILE   6           HA       ILE   6  71.871 -14.026  84.860
  475    HB   ILE   6           HB       ILE   6  74.444 -12.530  84.305
  476   HG12  ILE   6          HG12      ILE   6  74.389 -14.583  82.946
  477   HG13  ILE   6          HG11      ILE   6  75.558 -14.730  84.254
  478   HG21  ILE   6          HG21      ILE   6  73.518 -14.278  86.590
  479   HG22  ILE   6          HG22      ILE   6  73.714 -12.526  86.622
  480   HG23  ILE   6          HG23      ILE   6  75.126 -13.570  86.444
  481   HD11  ILE   6          HD11      ILE   6  72.812 -15.969  84.048
  482   HD12  ILE   6          HD12      ILE   6  73.707 -15.909  85.566
  483   HD13  ILE   6          HD13      ILE   6  74.365 -16.786  84.190
  484    H    LEU   7           HN       LEU   7  70.976 -12.697  86.286
  485    HA   LEU   7           HA       LEU   7  70.612  -9.896  85.507
  486    HB2  LEU   7           HB2      LEU   7  69.468 -11.606  87.713
  487    HB3  LEU   7           HB1      LEU   7  69.170  -9.883  87.597
  488    HG   LEU   7           HG       LEU   7  68.593 -10.850  84.998
  489   HD11  LEU   7          HD11      LEU   7  67.071 -12.591  86.905
  490   HD12  LEU   7          HD12      LEU   7  68.595 -13.145  86.238
  491   HD13  LEU   7          HD13      LEU   7  67.257 -12.738  85.172
  492   HD21  LEU   7          HD21      LEU   7  67.411  -9.112  86.274
  493   HD22  LEU   7          HD22      LEU   7  66.710 -10.361  87.286
  494   HD23  LEU   7          HD23      LEU   7  66.302 -10.289  85.579
  495    H    ASN   8           HN       ASN   8  72.088  -8.497  86.101
  496    HA   ASN   8           HA       ASN   8  73.094  -8.526  88.862
  497    HB2  ASN   8           HB2      ASN   8  75.280  -7.638  87.737
  498    HB3  ASN   8           HB1      ASN   8  74.989  -9.375  87.795
  499   HD21  ASN   8          HD21      ASN   8  76.173  -7.164  85.722
  500   HD22  ASN   8          HD22      ASN   8  75.626  -7.795  84.245
  501    H    GLY   9           HN       GLY   9  71.499  -6.887  89.218
  502    HA2  GLY   9           HA2      GLY   9  72.111  -4.289  87.891
  503    HA3  GLY   9           HA1      GLY   9  70.469  -4.804  88.250
  504    H    LYS  10           HN       LYS  10  70.230  -2.839  89.462
  505    HA   LYS  10           HA       LYS  10  71.863  -2.284  91.711
  506    HB2  LYS  10           HB2      LYS  10  68.977  -1.408  91.538
  507    HB3  LYS  10           HB1      LYS  10  70.356  -0.553  92.230
  508    HG2  LYS  10           HG2      LYS  10  71.232  -0.784  89.661
  509    HG3  LYS  10           HG1      LYS  10  69.495  -0.768  89.369
  510    HD2  LYS  10           HD2      LYS  10  69.288   1.350  90.575
  511    HD3  LYS  10           HD1      LYS  10  71.008   1.318  90.965
  512    HE2  LYS  10           HE2      LYS  10  71.585   1.437  88.593
  513    HE3  LYS  10           HE1      LYS  10  69.879   1.367  88.151
  514    HZ1  LYS  10           HZ1      LYS  10  71.316   3.631  88.616
  515    HZ2  LYS  10           HZ2      LYS  10  70.441   3.425  90.058
  516    HZ3  LYS  10           HZ3      LYS  10  69.625   3.522  88.571
  517    H    THR  11           HN       THR  11  68.591  -3.863  91.516
  518    HA   THR  11           HA       THR  11  69.439  -5.472  93.757
  519    HB   THR  11           HB       THR  11  66.560  -4.921  93.788
  520    HG1  THR  11           HG1      THR  11  67.132  -2.851  93.224
  521   HG21  THR  11          HG21      THR  11  68.818  -4.617  95.734
  522   HG22  THR  11          HG22      THR  11  67.955  -6.125  95.418
  523   HG23  THR  11          HG23      THR  11  67.120  -4.757  96.125
  524    H    LEU  12           HN       LEU  12  68.454  -5.426  90.554
  525    HA   LEU  12           HA       LEU  12  66.900  -7.842  90.936
  526    HB2  LEU  12           HB2      LEU  12  67.412  -6.107  88.675
  527    HB3  LEU  12           HB1      LEU  12  67.600  -7.786  88.198
  528    HG   LEU  12           HG       LEU  12  65.282  -6.498  89.447
  529   HD11  LEU  12          HD11      LEU  12  64.132  -7.434  87.347
  530   HD12  LEU  12          HD12      LEU  12  65.774  -7.591  86.751
  531   HD13  LEU  12          HD13      LEU  12  65.155  -6.013  87.198
  532   HD21  LEU  12          HD21      LEU  12  65.708  -8.986  90.206
  533   HD22  LEU  12          HD22      LEU  12  65.187  -9.337  88.592
  534   HD23  LEU  12          HD23      LEU  12  64.119  -8.544  89.679
  535    H    LYS  13           HN       LYS  13  67.853  -9.754  91.416
  536    HA   LYS  13           HA       LYS  13  70.163 -10.523  89.758
  537    HB2  LYS  13           HB2      LYS  13  70.231 -10.532  92.778
  538    HB3  LYS  13           HB1      LYS  13  71.353 -11.451  91.788
  539    HG2  LYS  13           HG2      LYS  13  72.663  -9.597  91.841
  540    HG3  LYS  13           HG1      LYS  13  71.559  -8.938  90.648
  541    HD2  LYS  13           HD2      LYS  13  70.172  -8.241  92.838
  542    HD3  LYS  13           HD1      LYS  13  71.765  -8.350  93.588
  543    HE2  LYS  13           HE2      LYS  13  71.598  -6.101  92.868
  544    HE3  LYS  13           HE1      LYS  13  72.571  -6.884  91.619
  545    HZ1  LYS  13           HZ1      LYS  13  70.924  -6.725  90.114
  546    HZ2  LYS  13           HZ2      LYS  13  70.389  -5.452  91.100
  547    HZ3  LYS  13           HZ3      LYS  13  69.705  -6.995  91.251
  548    H    GLY  14           HN       GLY  14  70.066 -12.477  89.072
  549    HA2  GLY  14           HA2      GLY  14  69.609 -14.853  90.362
  550    HA3  GLY  14           HA1      GLY  14  68.037 -14.400  89.743
  551    H    GLU  15           HN       GLU  15  68.055 -16.151  88.044
  552    HA   GLU  15           HA       GLU  15  69.962 -15.461  85.848
  553    HB2  GLU  15           HB2      GLU  15  68.893 -18.254  86.121
  554    HB3  GLU  15           HB1      GLU  15  70.262 -17.671  85.196
  555    HG2  GLU  15           HG2      GLU  15  70.204 -17.501  88.199
  556    HG3  GLU  15           HG1      GLU  15  70.769 -18.933  87.355
  557    H    THR  16           HN       THR  16  69.246 -16.108  83.673
  558    HA   THR  16           HA       THR  16  66.350 -16.346  83.267
  559    HB   THR  16           HB       THR  16  67.119 -14.363  81.428
  560    HG1  THR  16           HG1      THR  16  68.845 -13.704  82.546
  561   HG21  THR  16          HG21      THR  16  65.611 -14.127  84.025
  562   HG22  THR  16          HG22      THR  16  64.927 -14.560  82.458
  563   HG23  THR  16          HG23      THR  16  65.584 -12.944  82.719
  564    H    THR  17           HN       THR  17  65.806 -17.237  81.227
  565    HA   THR  17           HA       THR  17  68.028 -17.804  79.385
  566    HB   THR  17           HB       THR  17  66.296 -20.114  80.222
  567    HG1  THR  17           HG1      THR  17  68.658 -19.177  81.476
  568   HG21  THR  17          HG21      THR  17  68.070 -21.419  79.347
  569   HG22  THR  17          HG22      THR  17  69.195 -20.070  79.385
  570   HG23  THR  17          HG23      THR  17  67.895 -20.103  78.199
  571    H    THR  18           HN       THR  18  67.358 -18.710  77.339
  572    HA   THR  18           HA       THR  18  64.552 -18.681  76.660
  573    HB   THR  18           HB       THR  18  65.397 -16.259  76.549
  574    HG1  THR  18           HG1      THR  18  64.521 -16.217  74.234
  575   HG21  THR  18          HG21      THR  18  66.667 -17.198  73.982
  576   HG22  THR  18          HG22      THR  18  67.602 -17.053  75.467
  577   HG23  THR  18          HG23      THR  18  66.824 -15.631  74.770
  578    H    GLU  19           HN       GLU  19  64.155 -19.615  74.621
  579    HA   GLU  19           HA       GLU  19  66.379 -21.247  73.533
  580    HB2  GLU  19           HB2      GLU  19  64.354 -22.432  74.413
  581    HB3  GLU  19           HB1      GLU  19  63.373 -21.564  73.238
  582    HG2  GLU  19           HG2      GLU  19  63.778 -23.590  72.136
  583    HG3  GLU  19           HG1      GLU  19  65.044 -22.565  71.474
  584    H    ALA  20           HN       ALA  20  67.245 -20.427  71.694
  585    HA   ALA  20           HA       ALA  20  65.480 -19.434  69.583
  586    HB1  ALA  20           HB1      ALA  20  66.775 -17.631  71.350
  587    HB2  ALA  20           HB2      ALA  20  65.939 -17.231  69.855
  588    HB3  ALA  20           HB3      ALA  20  67.674 -17.538  69.837
  589    H    VAL  21           HN       VAL  21  66.611 -19.065  67.559
  590    HA   VAL  21           HA       VAL  21  68.616 -21.096  67.081
  591    HB   VAL  21           HB       VAL  21  67.080 -20.971  65.315
  592   HG11  VAL  21          HG11      VAL  21  67.208 -17.974  65.722
  593   HG12  VAL  21          HG12      VAL  21  65.827 -19.040  65.965
  594   HG13  VAL  21          HG13      VAL  21  66.414 -18.714  64.336
  595   HG21  VAL  21          HG21      VAL  21  68.296 -20.243  63.416
  596   HG22  VAL  21          HG22      VAL  21  69.550 -20.593  64.605
  597   HG23  VAL  21          HG23      VAL  21  69.066 -18.925  64.300
  598    H    ASP  22           HN       ASP  22  68.291 -17.584  67.063
  599    HA   ASP  22           HA       ASP  22  71.229 -17.334  66.686
  600    HB2  ASP  22           HB2      ASP  22  69.812 -16.263  64.964
  601    HB3  ASP  22           HB1      ASP  22  69.099 -15.253  66.219
  602    H    ALA  23           HN       ALA  23  72.362 -15.748  67.803
  603    HA   ALA  23           HA       ALA  23  71.659 -15.531  70.578
  604    HB1  ALA  23           HB1      ALA  23  73.969 -15.786  70.102
  605    HB2  ALA  23           HB2      ALA  23  73.785 -14.110  70.620
  606    HB3  ALA  23           HB3      ALA  23  73.945 -14.491  68.906
  607    H    ALA  24           HN       ALA  24  71.995 -13.229  67.884
  608    HA   ALA  24           HA       ALA  24  71.380 -10.890  69.320
  609    HB1  ALA  24           HB1      ALA  24  72.292 -11.040  66.941
  610    HB2  ALA  24           HB2      ALA  24  71.031  -9.835  67.201
  611    HB3  ALA  24           HB3      ALA  24  70.638 -11.368  66.424
  612    H    THR  25           HN       THR  25  69.125 -13.301  67.720
  613    HA   THR  25           HA       THR  25  66.774 -11.755  68.148
  614    HB   THR  25           HB       THR  25  67.240 -13.903  66.624
  615    HG1  THR  25           HG1      THR  25  64.817 -14.195  66.876
  616   HG21  THR  25          HG21      THR  25  65.606 -15.215  68.784
  617   HG22  THR  25          HG22      THR  25  67.365 -15.316  68.858
  618   HG23  THR  25          HG23      THR  25  66.502 -15.966  67.464
  619    H    ALA  26           HN       ALA  26  68.612 -13.985  70.138
  620    HA   ALA  26           HA       ALA  26  66.609 -14.457  72.107
  621    HB1  ALA  26           HB1      ALA  26  68.333 -16.047  72.096
  622    HB2  ALA  26           HB2      ALA  26  68.717 -15.071  73.512
  623    HB3  ALA  26           HB3      ALA  26  69.595 -14.821  72.005
  624    H    GLU  27           HN       GLU  27  69.092 -12.063  71.667
  625    HA   GLU  27           HA       GLU  27  68.981 -10.856  74.223
  626    HB2  GLU  27           HB2      GLU  27  70.681  -9.585  73.386
  627    HB3  GLU  27           HB1      GLU  27  70.550 -10.573  71.936
  628    HG2  GLU  27           HG2      GLU  27  68.836  -8.927  71.067
  629    HG3  GLU  27           HG1      GLU  27  69.201  -7.906  72.451
  630    H    LYS  28           HN       LYS  28  67.058 -10.491  71.322
  631    HA   LYS  28           HA       LYS  28  65.904  -7.995  71.811
  632    HB2  LYS  28           HB2      LYS  28  64.656 -10.461  70.566
  633    HB3  LYS  28           HB1      LYS  28  63.972  -8.838  70.482
  634    HG2  LYS  28           HG2      LYS  28  66.142  -8.073  69.443
  635    HG3  LYS  28           HG1      LYS  28  66.620  -9.767  69.350
  636    HD2  LYS  28           HD2      LYS  28  64.513 -10.222  68.032
  637    HD3  LYS  28           HD1      LYS  28  64.208  -8.485  68.011
  638    HE2  LYS  28           HE2      LYS  28  66.083  -8.040  66.636
  639    HE3  LYS  28           HE1      LYS  28  66.867  -9.561  67.041
  640    HZ1  LYS  28           HZ1      LYS  28  64.959 -10.711  65.739
  641    HZ2  LYS  28           HZ2      LYS  28  66.044  -9.824  64.781
  642    HZ3  LYS  28           HZ3      LYS  28  64.522  -9.174  65.160
  643    H    VAL  29           HN       VAL  29  65.047 -11.207  72.990
  644    HA   VAL  29           HA       VAL  29  62.749 -10.339  74.442
  645    HB   VAL  29           HB       VAL  29  64.425 -12.788  75.008
  646   HG11  VAL  29          HG11      VAL  29  62.600 -12.127  76.611
  647   HG12  VAL  29          HG12      VAL  29  62.333 -13.691  75.840
  648   HG13  VAL  29          HG13      VAL  29  61.450 -12.270  75.282
  649   HG21  VAL  29          HG21      VAL  29  62.318 -12.282  72.888
  650   HG22  VAL  29          HG22      VAL  29  62.800 -13.898  73.400
  651   HG23  VAL  29          HG23      VAL  29  63.977 -12.826  72.641
  652    H    PHE  30           HN       PHE  30  66.067 -11.208  75.438
  653    HA   PHE  30           HA       PHE  30  65.796 -10.606  78.158
  654    HB2  PHE  30           HB2      PHE  30  68.248 -10.571  76.420
  655    HB3  PHE  30           HB1      PHE  30  68.273 -10.466  78.170
  656    HD1  PHE  30           HD1      PHE  30  66.429 -12.432  79.191
  657    HD2  PHE  30           HD2      PHE  30  68.924 -12.673  75.689
  658    HE1  PHE  30           HE1      PHE  30  66.376 -14.897  79.310
  659    HE2  PHE  30           HE2      PHE  30  68.871 -15.134  75.838
  660    HZ   PHE  30           HZ       PHE  30  67.601 -16.249  77.646
  661    H    LYS  31           HN       LYS  31  67.009  -8.522  75.503
  662    HA   LYS  31           HA       LYS  31  67.652  -6.377  77.265
  663    HB2  LYS  31           HB2      LYS  31  67.308  -6.586  74.281
  664    HB3  LYS  31           HB1      LYS  31  67.484  -5.004  75.036
  665    HG2  LYS  31           HG2      LYS  31  69.585  -5.963  76.184
  666    HG3  LYS  31           HG1      LYS  31  69.453  -7.301  75.045
  667    HD2  LYS  31           HD2      LYS  31  69.626  -5.766  73.166
  668    HD3  LYS  31           HD1      LYS  31  69.597  -4.382  74.252
  669    HE2  LYS  31           HE2      LYS  31  71.705  -5.037  75.240
  670    HE3  LYS  31           HE1      LYS  31  71.715  -6.543  74.319
  671    HZ1  LYS  31           HZ1      LYS  31  71.341  -4.536  72.476
  672    HZ2  LYS  31           HZ2      LYS  31  72.758  -5.439  72.727
  673    HZ3  LYS  31           HZ3      LYS  31  72.543  -3.952  73.518
  674    H    GLN  32           HN       GLN  32  64.806  -7.052  75.250
  675    HA   GLN  32           HA       GLN  32  63.407  -4.686  75.982
  676    HB2  GLN  32           HB2      GLN  32  62.946  -6.203  74.005
  677    HB3  GLN  32           HB1      GLN  32  62.206  -7.326  75.149
  678    HG2  GLN  32           HG2      GLN  32  60.697  -5.474  75.905
  679    HG3  GLN  32           HG1      GLN  32  61.364  -4.463  74.624
  680   HE21  GLN  32          HE21      GLN  32  58.728  -6.469  75.304
  681   HE22  GLN  32          HE22      GLN  32  58.335  -6.941  73.721
  682    H    TYR  33           HN       TYR  33  63.733  -7.886  77.315
  683    HA   TYR  33           HA       TYR  33  61.633  -7.813  79.207
  684    HB2  TYR  33           HB2      TYR  33  62.505  -9.911  78.611
  685    HB3  TYR  33           HB1      TYR  33  64.158  -9.350  78.813
  686    HD1  TYR  33           HD2      TYR  33  61.094 -10.366  80.590
  687    HD2  TYR  33           HD1      TYR  33  65.249  -9.330  80.933
  688    HE1  TYR  33           HE2      TYR  33  61.126 -11.251  82.907
  689    HE2  TYR  33           HE1      TYR  33  65.282 -10.222  83.244
  690    HH   TYR  33           HH       TYR  33  62.814 -10.670  85.082
  691    H    ALA  34           HN       ALA  34  65.023  -6.840  79.251
  692    HA   ALA  34           HA       ALA  34  65.352  -6.478  82.010
  693    HB1  ALA  34           HB1      ALA  34  66.653  -5.336  79.562
  694    HB2  ALA  34           HB2      ALA  34  67.353  -6.339  80.831
  695    HB3  ALA  34           HB3      ALA  34  67.033  -4.632  81.132
  696    H    ASN  35           HN       ASN  35  63.904  -4.300  79.516
  697    HA   ASN  35           HA       ASN  35  63.692  -2.033  81.176
  698    HB2  ASN  35           HB2      ASN  35  63.285  -2.408  78.578
  699    HB3  ASN  35           HB1      ASN  35  61.618  -2.654  79.092
  700   HD21  ASN  35          HD21      ASN  35  60.400  -0.676  79.119
  701   HD22  ASN  35          HD22      ASN  35  61.079   0.855  79.394
  702    H    ASP  36           HN       ASP  36  61.520  -4.776  80.506
  703    HA   ASP  36           HA       ASP  36  59.390  -3.932  82.184
  704    HB2  ASP  36           HB2      ASP  36  59.994  -6.824  81.591
  705    HB3  ASP  36           HB1      ASP  36  58.429  -6.018  81.716
  706    H    ASN  37           HN       ASN  37  62.452  -5.441  82.797
  707    HA   ASN  37           HA       ASN  37  61.624  -6.401  85.432
  708    HB2  ASN  37           HB2      ASN  37  63.639  -7.048  83.467
  709    HB3  ASN  37           HB1      ASN  37  64.422  -6.741  85.004
  710   HD21  ASN  37          HD21      ASN  37  64.907  -8.972  85.463
  711   HD22  ASN  37          HD22      ASN  37  63.693 -10.117  85.772
  712    H    GLY  38           HN       GLY  38  63.393  -3.690  84.020
  713    HA2  GLY  38           HA2      GLY  38  63.518  -1.639  85.287
  714    HA3  GLY  38           HA1      GLY  38  63.731  -2.586  86.750
  715    H    VAL  39           HN       VAL  39  65.771  -4.366  85.608
  716    HA   VAL  39           HA       VAL  39  68.049  -2.639  86.041
  717    HB   VAL  39           HB       VAL  39  68.167  -4.764  87.071
  718   HG11  VAL  39          HG11      VAL  39  66.539  -5.843  85.404
  719   HG12  VAL  39          HG12      VAL  39  67.843  -6.850  86.006
  720   HG13  VAL  39          HG13      VAL  39  67.947  -6.142  84.400
  721   HG21  VAL  39          HG21      VAL  39  70.294  -3.993  86.063
  722   HG22  VAL  39          HG22      VAL  39  69.938  -4.928  84.622
  723   HG23  VAL  39          HG23      VAL  39  70.201  -5.744  86.155
  724    H    ASP  40           HN       ASP  40  68.750  -1.398  84.467
  725    HA   ASP  40           HA       ASP  40  69.210  -2.598  81.790
  726    HB2  ASP  40           HB2      ASP  40  67.283  -0.862  81.993
  727    HB3  ASP  40           HB1      ASP  40  68.568   0.325  82.194
  728    H    GLY  41           HN       GLY  41  71.455  -2.830  81.681
  729    HA2  GLY  41           HA2      GLY  41  73.060  -0.430  82.320
  730    HA3  GLY  41           HA1      GLY  41  73.469  -1.945  83.105
  731    H    GLU  42           HN       GLU  42  75.605  -1.915  82.086
  732    HA   GLU  42           HA       GLU  42  75.800  -1.850  79.254
  733    HB2  GLU  42           HB2      GLU  42  77.977  -2.975  80.985
  734    HB3  GLU  42           HB1      GLU  42  78.096  -1.947  79.561
  735    HG2  GLU  42           HG2      GLU  42  77.205  -1.119  82.334
  736    HG3  GLU  42           HG1      GLU  42  78.662  -0.607  81.488
  737    H    TRP  43           HN       TRP  43  75.738  -3.468  77.884
  738    HA   TRP  43           HA       TRP  43  75.116  -6.151  78.897
  739    HB2  TRP  43           HB2      TRP  43  74.659  -4.771  76.256
  740    HB3  TRP  43           HB1      TRP  43  74.339  -6.485  76.521
  741    HD1  TRP  43           HD1      TRP  43  73.099  -3.002  77.610
  742    HE1  TRP  43           HE1      TRP  43  70.803  -3.283  78.749
  743    HE3  TRP  43           HE3      TRP  43  72.815  -8.071  77.712
  744    HZ2  TRP  43           HZ2      TRP  43  69.062  -5.395  79.557
  745    HZ3  TRP  43           HZ3      TRP  43  70.835  -9.196  78.653
  746    HH2  TRP  43           HH2      TRP  43  68.955  -7.874  79.578
  747    H    THR  44           HN       THR  44  75.830  -7.934  77.757
  748    HA   THR  44           HA       THR  44  78.177  -7.801  76.072
  749    HB   THR  44           HB       THR  44  79.278  -7.600  78.225
  750    HG1  THR  44           HG1      THR  44  79.362  -9.925  76.774
  751   HG21  THR  44          HG21      THR  44  77.328  -9.760  79.022
  752   HG22  THR  44          HG22      THR  44  77.708  -8.245  79.840
  753   HG23  THR  44          HG23      THR  44  78.862  -9.576  79.870
  754    H    TYR  45           HN       TYR  45  78.710 -10.033  75.257
  755    HA   TYR  45           HA       TYR  45  76.769 -12.098  75.945
  756    HB2  TYR  45           HB2      TYR  45  75.556 -11.005  74.185
  757    HB3  TYR  45           HB1      TYR  45  76.990 -10.942  73.163
  758    HD1  TYR  45           HD2      TYR  45  75.213 -13.591  75.179
  759    HD2  TYR  45           HD1      TYR  45  76.991 -12.507  71.420
  760    HE1  TYR  45           HE2      TYR  45  74.687 -15.830  74.286
  761    HE2  TYR  45           HE1      TYR  45  76.460 -14.759  70.527
  762    HH   TYR  45           HH       TYR  45  75.683 -16.788  71.004
  763    H    ASP  46           HN       ASP  46  77.807 -13.922  76.155
  764    HA   ASP  46           HA       ASP  46  80.333 -14.298  74.680
  765    HB2  ASP  46           HB2      ASP  46  80.515 -14.679  77.105
  766    HB3  ASP  46           HB1      ASP  46  79.188 -15.850  77.031
  767    H    ASP  47           HN       ASP  47  80.003 -15.301  72.701
  768    HA   ASP  47           HA       ASP  47  77.653 -16.951  72.272
  769    HB2  ASP  47           HB2      ASP  47  78.741 -15.307  70.593
  770    HB3  ASP  47           HB1      ASP  47  79.915 -16.590  70.313
  771    H    ALA  48           HN       ALA  48  80.743 -17.423  73.454
  772    HA   ALA  48           HA       ALA  48  81.203 -20.067  72.389
  773    HB1  ALA  48           HB1      ALA  48  82.966 -20.041  74.291
  774    HB2  ALA  48           HB2      ALA  48  82.513 -18.347  74.481
  775    HB3  ALA  48           HB3      ALA  48  83.173 -18.916  72.949
  776    H    THR  49           HN       THR  49  79.526 -18.680  75.161
  777    HA   THR  49           HA       THR  49  78.869 -21.399  76.134
  778    HB   THR  49           HB       THR  49  78.656 -20.134  78.444
  779    HG1  THR  49           HG1      THR  49  80.783 -18.631  77.466
  780   HG21  THR  49          HG21      THR  49  81.003 -20.657  78.965
  781   HG22  THR  49          HG22      THR  49  81.355 -20.784  77.240
  782   HG23  THR  49          HG23      THR  49  80.260 -21.937  78.006
  783    H    LYS  50           HN       LYS  50  77.643 -19.007  74.421
  784    HA   LYS  50           HA       LYS  50  75.594 -17.962  74.219
  785    HB2  LYS  50           HB2      LYS  50  74.435 -20.441  75.480
  786    HB3  LYS  50           HB1      LYS  50  73.787 -19.466  74.164
  787    HG2  LYS  50           HG2      LYS  50  76.312 -21.148  73.973
  788    HG3  LYS  50           HG1      LYS  50  74.729 -21.644  73.386
  789    HD2  LYS  50           HD2      LYS  50  74.680 -19.644  71.900
  790    HD3  LYS  50           HD1      LYS  50  76.309 -19.237  72.436
  791    HE2  LYS  50           HE2      LYS  50  77.256 -21.140  71.421
  792    HE3  LYS  50           HE1      LYS  50  75.697 -21.951  71.273
  793    HZ1  LYS  50           HZ1      LYS  50  75.285 -19.684  69.896
  794    HZ2  LYS  50           HZ2      LYS  50  75.755 -21.159  69.197
  795    HZ3  LYS  50           HZ3      LYS  50  76.921 -19.977  69.558
  796    H    THR  51           HN       THR  51  76.775 -16.897  76.385
  797    HA   THR  51           HA       THR  51  74.591 -16.790  78.408
  798    HB   THR  51           HB       THR  51  77.581 -16.793  78.930
  799    HG1  THR  51           HG1      THR  51  77.066 -18.644  80.078
  800   HG21  THR  51          HG21      THR  51  76.730 -16.671  81.375
  801   HG22  THR  51          HG22      THR  51  75.224 -16.070  80.683
  802   HG23  THR  51          HG23      THR  51  76.725 -15.174  80.443
  803    H    PHE  52           HN       PHE  52  73.742 -14.771  78.738
  804    HA   PHE  52           HA       PHE  52  75.247 -12.405  77.787
  805    HB2  PHE  52           HB2      PHE  52  72.321 -12.959  78.294
  806    HB3  PHE  52           HB1      PHE  52  72.951 -11.343  77.979
  807    HD1  PHE  52           HD2      PHE  52  72.561 -14.765  76.542
  808    HD2  PHE  52           HD1      PHE  52  73.497 -10.636  75.798
  809    HE1  PHE  52           HE2      PHE  52  72.360 -15.141  74.090
  810    HE2  PHE  52           HE1      PHE  52  73.282 -11.023  73.362
  811    HZ   PHE  52           HZ       PHE  52  72.711 -13.276  72.513
  812    H    THR  53           HN       THR  53  75.150 -10.468  79.225
  813    HA   THR  53           HA       THR  53  74.110 -10.864  81.913
  814    HB   THR  53           HB       THR  53  76.141 -10.456  83.133
  815    HG1  THR  53           HG1      THR  53  78.132 -10.355  81.931
  816   HG21  THR  53          HG21      THR  53  75.715 -12.819  82.442
  817   HG22  THR  53          HG22      THR  53  77.412 -12.473  82.709
  818   HG23  THR  53          HG23      THR  53  76.780 -12.577  81.067
  819    H    VAL  54           HN       VAL  54  73.242  -8.876  82.649
  820    HA   VAL  54           HA       VAL  54  74.211  -6.419  81.262
  821    HB   VAL  54           HB       VAL  54  71.861  -6.980  80.769
  822   HG11  VAL  54          HG11      VAL  54  71.309  -6.544  83.709
  823   HG12  VAL  54          HG12      VAL  54  71.536  -8.147  83.016
  824   HG13  VAL  54          HG13      VAL  54  70.199  -7.133  82.475
  825   HG21  VAL  54          HG21      VAL  54  70.904  -4.789  81.354
  826   HG22  VAL  54          HG22      VAL  54  72.597  -4.594  80.901
  827   HG23  VAL  54          HG23      VAL  54  72.130  -4.564  82.601
  828    H    THR  55           HN       THR  55  75.282  -4.987  82.501
  829    HA   THR  55           HA       THR  55  74.864  -5.007  85.441
  830    HB   THR  55           HB       THR  55  77.069  -6.020  84.470
  831    HG1  THR  55           HG1      THR  55  77.508  -5.771  86.481
  832   HG21  THR  55          HG21      THR  55  77.890  -3.106  84.474
  833   HG22  THR  55          HG22      THR  55  77.434  -3.950  82.995
  834   HG23  THR  55          HG23      THR  55  78.822  -4.501  83.927
  835    H    GLU  56           HN       GLU  56  74.111  -3.096  86.242
  836    HA   GLU  56           HA       GLU  56  74.664  -0.616  84.707
  837    HB2  GLU  56           HB2      GLU  56  72.666   0.183  86.255
  838    HB3  GLU  56           HB1      GLU  56  72.346  -0.743  84.789
  839    HG2  GLU  56           HG2      GLU  56  72.251  -2.815  86.082
  840    HG3  GLU  56           HG1      GLU  56  72.626  -1.932  87.559
  841    H1   MET   1           HT1      MET   1  42.269 -33.728  77.377
  842    H2   MET   1           HT2      MET   1  41.216 -34.905  78.003
  843    H3   MET   1           HT3      MET   1  42.777 -35.342  77.495
  844    HA   MET   1           HA       MET   1  42.585 -35.226  79.911
  845    HB2  MET   1           HB2      MET   1  44.811 -34.750  79.773
  846    HB3  MET   1           HB1      MET   1  44.549 -34.104  78.163
  847    HG2  MET   1           HG2      MET   1  43.875 -31.892  79.420
  848    HG3  MET   1           HG1      MET   1  44.697 -32.631  80.794
  849    HE1  MET   1           HE1      MET   1  44.577 -31.958  77.243
  850    HE2  MET   1           HE2      MET   1  46.050 -32.755  76.712
  851    HE3  MET   1           HE3      MET   1  46.028 -31.007  76.901
  852    H    GLN   2           HN       GLN   2  42.862 -33.331  81.679
  853    HA   GLN   2           HA       GLN   2  40.726 -31.319  81.196
  854    HB2  GLN   2           HB2      GLN   2  41.255 -32.976  83.675
  855    HB3  GLN   2           HB1      GLN   2  40.161 -31.597  83.625
  856    HG2  GLN   2           HG2      GLN   2  38.758 -32.700  81.980
  857    HG3  GLN   2           HG1      GLN   2  39.904 -34.033  81.841
  858   HE21  GLN   2          HE21      GLN   2  40.228 -33.676  85.056
  859   HE22  GLN   2          HE22      GLN   2  38.897 -34.555  85.636
  860    H    TYR   3           HN       TYR   3  41.088 -29.273  81.958
  861    HA   TYR   3           HA       TYR   3  43.658 -28.782  83.350
  862    HB2  TYR   3           HB2      TYR   3  42.246 -26.635  81.795
  863    HB3  TYR   3           HB1      TYR   3  43.949 -26.776  82.233
  864    HD1  TYR   3           HD2      TYR   3  41.295 -28.527  80.271
  865    HD2  TYR   3           HD1      TYR   3  45.463 -27.552  80.619
  866    HE1  TYR   3           HE2      TYR   3  41.729 -29.578  78.073
  867    HE2  TYR   3           HE1      TYR   3  45.892 -28.593  78.412
  868    HH   TYR   3           HH       TYR   3  43.435 -30.431  76.743
  869    H    LYS   4           HN       LYS   4  43.633 -27.127  84.919
  870    HA   LYS   4           HA       LYS   4  40.930 -26.634  86.075
  871    HB2  LYS   4           HB2      LYS   4  42.417 -28.238  87.317
  872    HB3  LYS   4           HB1      LYS   4  43.560 -26.919  87.548
  873    HG2  LYS   4           HG2      LYS   4  41.847 -25.633  88.766
  874    HG3  LYS   4           HG1      LYS   4  40.682 -26.936  88.518
  875    HD2  LYS   4           HD2      LYS   4  42.042 -28.480  89.814
  876    HD3  LYS   4           HD1      LYS   4  43.338 -27.292  89.945
  877    HE2  LYS   4           HE2      LYS   4  42.187 -27.149  92.014
  878    HE3  LYS   4           HE1      LYS   4  41.594 -25.775  91.081
  879    HZ1  LYS   4           HZ1      LYS   4  40.255 -28.406  91.379
  880    HZ2  LYS   4           HZ2      LYS   4  39.700 -27.138  90.396
  881    HZ3  LYS   4           HZ3      LYS   4  39.764 -26.942  92.082
  882    H    LEU   5           HN       LEU   5  40.351 -24.530  86.290
  883    HA   LEU   5           HA       LEU   5  42.485 -22.476  86.143
  884    HB2  LEU   5           HB2      LEU   5  40.871 -22.294  84.335
  885    HB3  LEU   5           HB1      LEU   5  39.545 -22.330  85.463
  886    HG   LEU   5           HG       LEU   5  40.320 -20.055  84.389
  887   HD11  LEU   5          HD11      LEU   5  39.539 -18.807  86.360
  888   HD12  LEU   5          HD12      LEU   5  39.642 -20.275  87.321
  889   HD13  LEU   5          HD13      LEU   5  38.515 -20.183  85.971
  890   HD21  LEU   5          HD21      LEU   5  42.719 -20.386  85.324
  891   HD22  LEU   5          HD22      LEU   5  42.035 -19.832  86.839
  892   HD23  LEU   5          HD23      LEU   5  41.982 -18.803  85.424
  893    H    ILE   6           HN       ILE   6  42.899 -21.284  87.897
  894    HA   ILE   6           HA       ILE   6  41.157 -21.586  90.265
  895    HB   ILE   6           HB       ILE   6  43.865 -20.251  90.104
  896   HG12  ILE   6          HG12      ILE   6  44.058 -22.578  89.319
  897   HG13  ILE   6          HG11      ILE   6  44.815 -22.384  90.897
  898   HG21  ILE   6          HG21      ILE   6  42.232 -21.392  92.382
  899   HG22  ILE   6          HG22      ILE   6  42.516 -19.683  92.047
  900   HG23  ILE   6          HG23      ILE   6  43.856 -20.719  92.537
  901   HD11  ILE   6          HD11      ILE   6  42.150 -23.655  90.249
  902   HD12  ILE   6          HD12      ILE   6  42.624 -23.224  91.891
  903   HD13  ILE   6          HD13      ILE   6  43.560 -24.406  90.988
  904    H    LEU   7           HN       LEU   7  39.982 -19.979  90.990
  905    HA   LEU   7           HA       LEU   7  39.997 -17.456  89.501
  906    HB2  LEU   7           HB2      LEU   7  38.097 -18.733  91.464
  907    HB3  LEU   7           HB1      LEU   7  37.966 -17.027  91.057
  908    HG   LEU   7           HG       LEU   7  38.076 -18.061  88.536
  909   HD11  LEU   7          HD11      LEU   7  36.705 -20.175  90.219
  910   HD12  LEU   7          HD12      LEU   7  38.219 -20.389  89.341
  911   HD13  LEU   7          HD13      LEU   7  36.719 -20.110  88.456
  912   HD21  LEU   7          HD21      LEU   7  36.322 -16.581  89.468
  913   HD22  LEU   7          HD22      LEU   7  35.589 -17.972  90.265
  914   HD23  LEU   7          HD23      LEU   7  35.633 -17.885  88.505
  915    H    ASN   8           HN       ASN   8  41.309 -15.954  90.167
  916    HA   ASN   8           HA       ASN   8  41.414 -15.280  93.031
  917    HB2  ASN   8           HB2      ASN   8  43.874 -14.630  92.441
  918    HB3  ASN   8           HB1      ASN   8  43.499 -16.315  92.795
  919   HD21  ASN   8          HD21      ASN   8  45.294 -14.552  90.690
  920   HD22  ASN   8          HD22      ASN   8  45.190 -15.536  89.311
  921    H    GLY   9           HN       GLY   9  39.871 -13.664  92.495
  922    HA2  GLY   9           HA2      GLY   9  40.941 -11.431  90.846
  923    HA3  GLY   9           HA1      GLY   9  39.243 -11.892  90.838
  924    H    LYS  10           HN       LYS  10  38.718  -9.740  91.471
  925    HA   LYS  10           HA       LYS  10  39.706  -8.657  93.909
  926    HB2  LYS  10           HB2      LYS  10  37.077  -7.812  92.693
  927    HB3  LYS  10           HB1      LYS  10  38.268  -6.835  93.551
  928    HG2  LYS  10           HG2      LYS  10  39.849  -7.544  91.539
  929    HG3  LYS  10           HG1      LYS  10  38.319  -7.829  90.711
  930    HD2  LYS  10           HD2      LYS  10  37.618  -5.514  91.208
  931    HD3  LYS  10           HD1      LYS  10  39.155  -5.229  92.025
  932    HE2  LYS  10           HE2      LYS  10  40.360  -5.720  89.924
  933    HE3  LYS  10           HE1      LYS  10  38.820  -5.986  89.107
  934    HZ1  LYS  10           HZ1      LYS  10  40.124  -3.598  89.362
  935    HZ2  LYS  10           HZ2      LYS  10  38.877  -3.502  90.510
  936    HZ3  LYS  10           HZ3      LYS  10  38.512  -3.813  88.880
  937    H    THR  11           HN       THR  11  36.524 -10.234  93.126
  938    HA   THR  11           HA       THR  11  36.390 -11.033  95.973
  939    HB   THR  11           HB       THR  11  33.881 -10.675  95.786
  940    HG1  THR  11           HG1      THR  11  34.543  -8.861  93.753
  941   HG21  THR  11          HG21      THR  11  35.828  -8.370  95.641
  942   HG22  THR  11          HG22      THR  11  35.259  -9.199  97.090
  943   HG23  THR  11          HG23      THR  11  34.148  -8.204  96.150
  944    H    LEU  12           HN       LEU  12  36.269 -11.958  92.715
  945    HA   LEU  12           HA       LEU  12  34.589 -14.274  93.184
  946    HB2  LEU  12           HB2      LEU  12  35.219 -12.711  90.945
  947    HB3  LEU  12           HB1      LEU  12  36.075 -14.215  90.639
  948    HG   LEU  12           HG       LEU  12  33.116 -13.839  91.147
  949   HD11  LEU  12          HD11      LEU  12  32.871 -14.785  88.924
  950   HD12  LEU  12          HD12      LEU  12  34.595 -15.145  88.846
  951   HD13  LEU  12          HD13      LEU  12  34.043 -13.470  88.835
  952   HD21  LEU  12          HD21      LEU  12  34.850 -16.207  91.608
  953   HD22  LEU  12          HD22      LEU  12  33.438 -16.526  90.608
  954   HD23  LEU  12          HD23      LEU  12  33.237 -15.853  92.218
  955    H    LYS  13           HN       LYS  13  35.459 -15.958  94.272
  956    HA   LYS  13           HA       LYS  13  38.092 -16.950  93.393
  957    HB2  LYS  13           HB2      LYS  13  37.300 -16.367  96.255
  958    HB3  LYS  13           HB1      LYS  13  38.587 -17.491  95.845
  959    HG2  LYS  13           HG2      LYS  13  39.951 -15.653  95.924
  960    HG3  LYS  13           HG1      LYS  13  39.318 -15.302  94.323
  961    HD2  LYS  13           HD2      LYS  13  37.374 -14.118  95.758
  962    HD3  LYS  13           HD1      LYS  13  38.663 -14.017  96.958
  963    HE2  LYS  13           HE2      LYS  13  38.873 -12.014  95.723
  964    HE3  LYS  13           HE1      LYS  13  40.102 -13.069  95.019
  965    HZ1  LYS  13           HZ1      LYS  13  38.961 -13.265  93.103
  966    HZ2  LYS  13           HZ2      LYS  13  38.263 -11.794  93.581
  967    HZ3  LYS  13           HZ3      LYS  13  37.448 -13.257  93.861
  968    H    GLY  14           HN       GLY  14  38.259 -19.069  93.232
  969    HA2  GLY  14           HA2      GLY  14  36.990 -21.071  94.654
  970    HA3  GLY  14           HA1      GLY  14  35.927 -20.700  93.295
  971    H    GLU  15           HN       GLU  15  36.370 -22.834  92.359
  972    HA   GLU  15           HA       GLU  15  38.982 -22.949  90.960
  973    HB2  GLU  15           HB2      GLU  15  37.423 -25.380  91.847
  974    HB3  GLU  15           HB1      GLU  15  39.029 -25.324  91.125
  975    HG2  GLU  15           HG2      GLU  15  38.356 -24.021  93.753
  976    HG3  GLU  15           HG1      GLU  15  38.970 -25.664  93.621
  977    H    THR  16           HN       THR  16  38.872 -24.077  88.894
  978    HA   THR  16           HA       THR  16  36.206 -24.558  87.794
  979    HB   THR  16           HB       THR  16  37.444 -23.034  85.778
  980    HG1  THR  16           HG1      THR  16  38.873 -22.094  87.131
  981   HG21  THR  16          HG21      THR  16  35.353 -22.230  87.797
  982   HG22  THR  16          HG22      THR  16  35.063 -23.053  86.264
  983   HG23  THR  16          HG23      THR  16  35.672 -21.399  86.275
  984    H    THR  17           HN       THR  17  36.229 -25.881  85.953
  985    HA   THR  17           HA       THR  17  38.843 -26.783  84.983
  986    HB   THR  17           HB       THR  17  36.883 -28.894  85.841
  987    HG1  THR  17           HG1      THR  17  38.767 -27.508  87.431
  988   HG21  THR  17          HG21      THR  17  38.788 -30.294  85.815
  989   HG22  THR  17          HG22      THR  17  39.899 -28.933  85.860
  990   HG23  THR  17          HG23      THR  17  38.983 -29.280  84.394
  991    H    THR  18           HN       THR  18  38.723 -28.147  83.106
  992    HA   THR  18           HA       THR  18  36.202 -28.374  81.714
  993    HB   THR  18           HB       THR  18  37.125 -26.021  81.265
  994    HG1  THR  18           HG1      THR  18  36.907 -26.550  78.860
  995   HG21  THR  18          HG21      THR  18  39.012 -27.493  79.434
  996   HG22  THR  18          HG22      THR  18  39.514 -26.973  81.040
  997   HG23  THR  18          HG23      THR  18  38.998 -25.781  79.845
  998    H    GLU  19           HN       GLU  19  36.342 -29.788  79.930
  999    HA   GLU  19           HA       GLU  19  38.723 -31.554  79.925
 1000    HB2  GLU  19           HB2      GLU  19  36.509 -32.570  80.476
 1001    HB3  GLU  19           HB1      GLU  19  35.899 -32.034  78.914
 1002    HG2  GLU  19           HG2      GLU  19  36.515 -34.262  78.498
 1003    HG3  GLU  19           HG1      GLU  19  37.914 -33.370  77.919
 1004    H    ALA  20           HN       ALA  20  40.096 -31.141  78.277
 1005    HA   ALA  20           HA       ALA  20  39.036 -30.787  75.574
 1006    HB1  ALA  20           HB1      ALA  20  39.823 -28.545  77.132
 1007    HB2  ALA  20           HB2      ALA  20  39.440 -28.563  75.416
 1008    HB3  ALA  20           HB3      ALA  20  41.106 -28.780  75.947
 1009    H    VAL  21           HN       VAL  21  40.716 -30.858  73.937
 1010    HA   VAL  21           HA       VAL  21  42.722 -32.852  74.563
 1011    HB   VAL  21           HB       VAL  21  41.732 -33.261  72.478
 1012   HG11  VAL  21          HG11      VAL  21  41.791 -30.256  72.113
 1013   HG12  VAL  21          HG12      VAL  21  40.380 -31.300  72.250
 1014   HG13  VAL  21          HG13      VAL  21  41.390 -31.366  70.809
 1015   HG21  VAL  21          HG21      VAL  21  43.428 -32.962  70.849
 1016   HG22  VAL  21          HG22      VAL  21  44.305 -32.942  72.377
 1017   HG23  VAL  21          HG23      VAL  21  43.953 -31.429  71.544
 1018    H    ASP  22           HN       ASP  22  42.468 -29.489  73.554
 1019    HA   ASP  22           HA       ASP  22  45.397 -29.168  73.940
 1020    HB2  ASP  22           HB2      ASP  22  44.511 -28.643  71.680
 1021    HB3  ASP  22           HB1      ASP  22  43.517 -27.382  72.404
 1022    H    ALA  23           HN       ALA  23  46.186 -27.300  74.899
 1023    HA   ALA  23           HA       ALA  23  44.714 -26.451  77.211
 1024    HB1  ALA  23           HB1      ALA  23  47.034 -26.643  77.529
 1025    HB2  ALA  23           HB2      ALA  23  46.755 -24.904  77.432
 1026    HB3  ALA  23           HB3      ALA  23  47.400 -25.773  76.042
 1027    H    ALA  24           HN       ALA  24  45.875 -24.862  74.250
 1028    HA   ALA  24           HA       ALA  24  44.945 -22.280  74.817
 1029    HB1  ALA  24           HB1      ALA  24  46.466 -22.985  72.889
 1030    HB2  ALA  24           HB2      ALA  24  45.222 -21.801  72.489
 1031    HB3  ALA  24           HB3      ALA  24  45.004 -23.493  72.043
 1032    H    THR  25           HN       THR  25  43.153 -25.121  73.364
 1033    HA   THR  25           HA       THR  25  40.809 -23.624  72.734
 1034    HB   THR  25           HB       THR  25  41.637 -26.059  71.978
 1035    HG1  THR  25           HG1      THR  25  39.222 -26.387  71.628
 1036   HG21  THR  25          HG21      THR  25  39.429 -26.879  73.849
 1037   HG22  THR  25          HG22      THR  25  41.089 -26.873  74.439
 1038   HG23  THR  25          HG23      THR  25  40.646 -27.885  73.065
 1039    H    ALA  26           HN       ALA  26  41.997 -25.224  75.625
 1040    HA   ALA  26           HA       ALA  26  39.530 -25.280  77.050
 1041    HB1  ALA  26           HB1      ALA  26  41.144 -26.764  77.882
 1042    HB2  ALA  26           HB2      ALA  26  41.178 -25.460  79.066
 1043    HB3  ALA  26           HB3      ALA  26  42.426 -25.555  77.825
 1044    H    GLU  27           HN       GLU  27  42.112 -22.976  76.722
 1045    HA   GLU  27           HA       GLU  27  41.358 -21.198  78.792
 1046    HB2  GLU  27           HB2      GLU  27  43.264 -20.105  78.174
 1047    HB3  GLU  27           HB1      GLU  27  43.505 -21.423  77.033
 1048    HG2  GLU  27           HG2      GLU  27  42.155 -20.099  75.348
 1049    HG3  GLU  27           HG1      GLU  27  42.170 -18.757  76.484
 1050    H    LYS  28           HN       LYS  28  40.302 -21.594  75.479
 1051    HA   LYS  28           HA       LYS  28  39.173 -19.080  75.024
 1052    HB2  LYS  28           HB2      LYS  28  38.178 -21.800  74.123
 1053    HB3  LYS  28           HB1      LYS  28  37.631 -20.258  73.463
 1054    HG2  LYS  28           HG2      LYS  28  40.044 -19.745  72.908
 1055    HG3  LYS  28           HG1      LYS  28  40.426 -21.406  73.354
 1056    HD2  LYS  28           HD2      LYS  28  38.741 -22.193  71.654
 1057    HD3  LYS  28           HD1      LYS  28  38.541 -20.518  71.141
 1058    HE2  LYS  28           HE2      LYS  28  40.725 -20.389  70.252
 1059    HE3  LYS  28           HE1      LYS  28  41.312 -21.728  71.226
 1060    HZ1  LYS  28           HZ1      LYS  28  39.784 -23.233  69.786
 1061    HZ2  LYS  28           HZ2      LYS  28  41.128 -22.588  68.974
 1062    HZ3  LYS  28           HZ3      LYS  28  39.590 -21.909  68.739
 1063    H    VAL  29           HN       VAL  29  37.888 -21.922  76.676
 1064    HA   VAL  29           HA       VAL  29  35.330 -20.769  77.207
 1065    HB   VAL  29           HB       VAL  29  36.673 -22.967  78.784
 1066   HG11  VAL  29          HG11      VAL  29  34.496 -21.978  79.582
 1067   HG12  VAL  29          HG12      VAL  29  34.400 -23.694  79.187
 1068   HG13  VAL  29          HG13      VAL  29  33.768 -22.493  78.060
 1069   HG21  VAL  29          HG21      VAL  29  35.278 -23.054  76.095
 1070   HG22  VAL  29          HG22      VAL  29  35.527 -24.483  77.099
 1071   HG23  VAL  29          HG23      VAL  29  36.915 -23.593  76.470
 1072    H    PHE  30           HN       PHE  30  38.215 -21.316  79.241
 1073    HA   PHE  30           HA       PHE  30  37.265 -20.070  81.557
 1074    HB2  PHE  30           HB2      PHE  30  40.092 -20.404  80.591
 1075    HB3  PHE  30           HB1      PHE  30  39.646 -19.899  82.209
 1076    HD1  PHE  30           HD1      PHE  30  37.472 -21.634  83.057
 1077    HD2  PHE  30           HD2      PHE  30  40.887 -22.593  80.611
 1078    HE1  PHE  30           HE1      PHE  30  37.282 -24.005  83.705
 1079    HE2  PHE  30           HE2      PHE  30  40.688 -24.961  81.293
 1080    HZ   PHE  30           HZ       PHE  30  38.890 -25.664  82.841
 1081    H    LYS  31           HN       LYS  31  39.236 -18.671  78.910
 1082    HA   LYS  31           HA       LYS  31  39.457 -16.140  80.213
 1083    HB2  LYS  31           HB2      LYS  31  39.959 -17.098  77.402
 1084    HB3  LYS  31           HB1      LYS  31  39.953 -15.368  77.743
 1085    HG2  LYS  31           HG2      LYS  31  41.624 -15.879  79.627
 1086    HG3  LYS  31           HG1      LYS  31  41.777 -17.484  78.911
 1087    HD2  LYS  31           HD2      LYS  31  42.492 -16.505  76.796
 1088    HD3  LYS  31           HD1      LYS  31  42.225 -14.883  77.426
 1089    HE2  LYS  31           HE2      LYS  31  43.971 -15.167  79.071
 1090    HE3  LYS  31           HE1      LYS  31  44.162 -16.867  78.635
 1091    HZ1  LYS  31           HZ1      LYS  31  44.373 -15.458  76.282
 1092    HZ2  LYS  31           HZ2      LYS  31  45.633 -16.211  77.137
 1093    HZ3  LYS  31           HZ3      LYS  31  45.282 -14.571  77.406
 1094    H    GLN  32           HN       GLN  32  37.258 -17.400  77.725
 1095    HA   GLN  32           HA       GLN  32  35.797 -14.972  77.428
 1096    HB2  GLN  32           HB2      GLN  32  35.859 -16.936  75.826
 1097    HB3  GLN  32           HB1      GLN  32  34.786 -17.774  76.947
 1098    HG2  GLN  32           HG2      GLN  32  33.202 -15.832  76.782
 1099    HG3  GLN  32           HG1      GLN  32  34.237 -15.156  75.525
 1100   HE21  GLN  32          HE21      GLN  32  31.431 -16.996  75.924
 1101   HE22  GLN  32          HE22      GLN  32  31.470 -17.866  74.466
 1102    H    TYR  33           HN       TYR  33  35.610 -17.747  79.538
 1103    HA   TYR  33           HA       TYR  33  33.057 -17.270  80.655
 1104    HB2  TYR  33           HB2      TYR  33  33.996 -19.429  80.872
 1105    HB3  TYR  33           HB1      TYR  33  35.507 -18.774  81.498
 1106    HD1  TYR  33           HD2      TYR  33  31.929 -19.298  82.238
 1107    HD2  TYR  33           HD1      TYR  33  35.792 -18.267  83.810
 1108    HE1  TYR  33           HE2      TYR  33  31.047 -19.512  84.543
 1109    HE2  TYR  33           HE1      TYR  33  34.910 -18.486  86.118
 1110    HH   TYR  33           HH       TYR  33  33.160 -19.047  87.372
 1111    H    ALA  34           HN       ALA  34  36.320 -16.211  81.452
 1112    HA   ALA  34           HA       ALA  34  35.863 -15.183  84.015
 1113    HB1  ALA  34           HB1      ALA  34  37.838 -14.585  81.836
 1114    HB2  ALA  34           HB2      ALA  34  38.122 -15.265  83.438
 1115    HB3  ALA  34           HB3      ALA  34  37.785 -13.545  83.257
 1116    H    ASN  35           HN       ASN  35  35.262 -13.709  80.770
 1117    HA   ASN  35           HA       ASN  35  34.699 -11.115  81.690
 1118    HB2  ASN  35           HB2      ASN  35  34.975 -12.149  79.261
 1119    HB3  ASN  35           HB1      ASN  35  33.221 -12.302  79.360
 1120   HD21  ASN  35          HD21      ASN  35  32.135 -10.422  78.536
 1121   HD22  ASN  35          HD22      ASN  35  32.774  -8.851  78.595
 1122    H    ASP  36           HN       ASP  36  32.636 -13.974  81.160
 1123    HA   ASP  36           HA       ASP  36  30.193 -12.768  81.950
 1124    HB2  ASP  36           HB2      ASP  36  30.754 -15.709  82.255
 1125    HB3  ASP  36           HB1      ASP  36  29.271 -14.907  81.737
 1126    H    ASN  37           HN       ASN  37  32.885 -14.038  83.727
 1127    HA   ASN  37           HA       ASN  37  31.336 -14.358  86.186
 1128    HB2  ASN  37           HB2      ASN  37  33.795 -15.376  85.050
 1129    HB3  ASN  37           HB1      ASN  37  34.116 -14.722  86.645
 1130   HD21  ASN  37          HD21      ASN  37  34.391 -16.816  87.647
 1131   HD22  ASN  37          HD22      ASN  37  33.090 -17.887  87.853
 1132    H    GLY  38           HN       GLY  38  33.528 -12.017  84.723
 1133    HA2  GLY  38           HA2      GLY  38  33.435  -9.729  85.457
 1134    HA3  GLY  38           HA1      GLY  38  33.176 -10.289  87.100
 1135    H    VAL  39           HN       VAL  39  35.349 -12.283  87.037
 1136    HA   VAL  39           HA       VAL  39  37.510 -10.458  87.658
 1137    HB   VAL  39           HB       VAL  39  37.263 -12.245  89.198
 1138   HG11  VAL  39          HG11      VAL  39  35.981 -13.732  87.624
 1139   HG12  VAL  39          HG12      VAL  39  37.165 -14.574  88.607
 1140   HG13  VAL  39          HG13      VAL  39  37.515 -14.217  86.921
 1141   HG21  VAL  39          HG21      VAL  39  39.627 -11.762  88.529
 1142   HG22  VAL  39          HG22      VAL  39  39.539 -13.090  87.382
 1143   HG23  VAL  39          HG23      VAL  39  39.395 -13.408  89.104
 1144    H    ASP  40           HN       ASP  40  38.642  -9.622  86.050
 1145    HA   ASP  40           HA       ASP  40  39.757 -11.429  83.974
 1146    HB2  ASP  40           HB2      ASP  40  37.896  -9.776  83.225
 1147    HB3  ASP  40           HB1      ASP  40  39.112  -8.525  83.459
 1148    H    GLY  41           HN       GLY  41  41.951 -11.591  84.500
 1149    HA2  GLY  41           HA2      GLY  41  43.406  -9.048  84.898
 1150    HA3  GLY  41           HA1      GLY  41  43.573 -10.307  86.109
 1151    H    GLU  42           HN       GLU  42  45.874 -10.487  85.692
 1152    HA   GLU  42           HA       GLU  42  46.822 -11.082  83.081
 1153    HB2  GLU  42           HB2      GLU  42  48.381 -11.711  85.561
 1154    HB3  GLU  42           HB1      GLU  42  48.939 -11.048  84.026
 1155    HG2  GLU  42           HG2      GLU  42  47.363  -9.609  86.178
 1156    HG3  GLU  42           HG1      GLU  42  49.005  -9.261  85.651
 1157    H    TRP  43           HN       TRP  43  47.612 -13.123  82.363
 1158    HA   TRP  43           HA       TRP  43  46.420 -15.444  83.785
 1159    HB2  TRP  43           HB2      TRP  43  46.650 -14.861  80.844
 1160    HB3  TRP  43           HB1      TRP  43  46.133 -16.408  81.510
 1161    HD1  TRP  43           HD1      TRP  43  44.956 -12.719  81.272
 1162    HE1  TRP  43           HE1      TRP  43  42.412 -12.696  81.708
 1163    HE3  TRP  43           HE3      TRP  43  44.276 -17.586  82.491
 1164    HZ2  TRP  43           HZ2      TRP  43  40.350 -14.544  82.453
 1165    HZ3  TRP  43           HZ3      TRP  43  42.043 -18.445  83.040
 1166    HH2  TRP  43           HH2      TRP  43  40.072 -16.943  83.026
 1167    H    THR  44           HN       THR  44  47.431 -17.194  83.927
 1168    HA   THR  44           HA       THR  44  50.004 -17.649  82.641
 1169    HB   THR  44           HB       THR  44  50.751 -17.461  84.819
 1170    HG1  THR  44           HG1      THR  44  50.743 -19.735  84.034
 1171   HG21  THR  44          HG21      THR  44  48.015 -18.425  85.623
 1172   HG22  THR  44          HG22      THR  44  48.628 -16.773  85.757
 1173   HG23  THR  44          HG23      THR  44  49.322 -18.054  86.750
 1174    H    TYR  45           HN       TYR  45  50.475 -20.039  82.153
 1175    HA   TYR  45           HA       TYR  45  48.053 -21.633  82.596
 1176    HB2  TYR  45           HB2      TYR  45  47.620 -21.063  80.348
 1177    HB3  TYR  45           HB1      TYR  45  49.309 -21.292  79.889
 1178    HD1  TYR  45           HD2      TYR  45  46.957 -23.407  81.981
 1179    HD2  TYR  45           HD1      TYR  45  49.501 -23.187  78.522
 1180    HE1  TYR  45           HE2      TYR  45  46.652 -25.817  81.610
 1181    HE2  TYR  45           HE1      TYR  45  49.192 -25.614  78.158
 1182    HH   TYR  45           HH       TYR  45  48.411 -27.525  79.049
 1183    H    ASP  46           HN       ASP  46  48.691 -23.188  83.814
 1184    HA   ASP  46           HA       ASP  46  51.406 -24.140  83.464
 1185    HB2  ASP  46           HB2      ASP  46  50.413 -23.878  85.808
 1186    HB3  ASP  46           HB1      ASP  46  49.341 -25.219  85.391
 1187    H    ASP  47           HN       ASP  47  51.781 -25.471  81.838
 1188    HA   ASP  47           HA       ASP  47  49.633 -27.377  81.078
 1189    HB2  ASP  47           HB2      ASP  47  51.137 -25.935  79.407
 1190    HB3  ASP  47           HB1      ASP  47  52.263 -27.273  79.642
 1191    H    ALA  48           HN       ALA  48  52.383 -26.940  82.827
 1192    HA   ALA  48           HA       ALA  48  53.608 -29.475  82.707
 1193    HB1  ALA  48           HB1      ALA  48  54.407 -28.386  85.064
 1194    HB2  ALA  48           HB2      ALA  48  53.756 -26.946  84.284
 1195    HB3  ALA  48           HB3      ALA  48  55.048 -27.859  83.509
 1196    H    THR  49           HN       THR  49  50.890 -28.152  84.472
 1197    HA   THR  49           HA       THR  49  50.276 -30.725  85.753
 1198    HB   THR  49           HB       THR  49  49.215 -29.151  87.607
 1199    HG1  THR  49           HG1      THR  49  51.402 -27.534  86.959
 1200   HG21  THR  49          HG21      THR  49  51.389 -29.143  88.845
 1201   HG22  THR  49          HG22      THR  49  52.175 -29.684  87.362
 1202   HG23  THR  49          HG23      THR  49  50.968 -30.704  88.144
 1203    H    LYS  50           HN       LYS  50  49.439 -28.497  83.458
 1204    HA   LYS  50           HA       LYS  50  47.495 -27.939  82.375
 1205    HB2  LYS  50           HB2      LYS  50  46.100 -30.136  83.903
 1206    HB3  LYS  50           HB1      LYS  50  45.769 -29.548  82.275
 1207    HG2  LYS  50           HG2      LYS  50  48.275 -31.045  83.109
 1208    HG3  LYS  50           HG1      LYS  50  46.913 -31.747  82.242
 1209    HD2  LYS  50           HD2      LYS  50  47.273 -30.092  80.409
 1210    HD3  LYS  50           HD1      LYS  50  48.699 -29.507  81.261
 1211    HE2  LYS  50           HE2      LYS  50  49.849 -31.554  81.003
 1212    HE3  LYS  50           HE1      LYS  50  48.382 -32.412  80.530
 1213    HZ1  LYS  50           HZ1      LYS  50  48.493 -30.435  78.717
 1214    HZ2  LYS  50           HZ2      LYS  50  49.096 -32.003  78.465
 1215    HZ3  LYS  50           HZ3      LYS  50  50.142 -30.756  78.952
 1216    H    THR  51           HN       THR  51  48.044 -26.277  84.421
 1217    HA   THR  51           HA       THR  51  45.356 -25.798  85.585
 1218    HB   THR  51           HB       THR  51  47.976 -25.718  87.113
 1219    HG1  THR  51           HG1      THR  51  47.015 -27.262  88.305
 1220   HG21  THR  51          HG21      THR  51  46.490 -24.904  89.014
 1221   HG22  THR  51          HG22      THR  51  45.267 -24.550  87.795
 1222   HG23  THR  51          HG23      THR  51  46.818 -23.712  87.756
 1223    H    PHE  52           HN       PHE  52  44.568 -23.767  85.204
 1224    HA   PHE  52           HA       PHE  52  46.406 -21.660  84.234
 1225    HB2  PHE  52           HB2      PHE  52  43.427 -22.118  84.038
 1226    HB3  PHE  52           HB1      PHE  52  44.198 -20.619  83.530
 1227    HD1  PHE  52           HD2      PHE  52  44.037 -24.300  82.905
 1228    HD2  PHE  52           HD1      PHE  52  45.268 -20.449  81.443
 1229    HE1  PHE  52           HE2      PHE  52  44.409 -25.256  80.635
 1230    HE2  PHE  52           HE1      PHE  52  45.617 -21.415  79.190
 1231    HZ   PHE  52           HZ       PHE  52  45.189 -23.817  78.790
 1232    H    THR  53           HN       THR  53  46.028 -19.432  85.117
 1233    HA   THR  53           HA       THR  53  44.214 -19.214  87.379
 1234    HB   THR  53           HB       THR  53  45.752 -18.538  89.059
 1235    HG1  THR  53           HG1      THR  53  48.054 -18.603  88.504
 1236   HG21  THR  53          HG21      THR  53  45.586 -20.997  88.781
 1237   HG22  THR  53          HG22      THR  53  47.143 -20.509  89.424
 1238   HG23  THR  53          HG23      THR  53  46.992 -20.962  87.727
 1239    H    VAL  54           HN       VAL  54  43.263 -17.144  87.353
 1240    HA   VAL  54           HA       VAL  54  44.689 -15.079  85.774
 1241    HB   VAL  54           HB       VAL  54  42.556 -15.795  84.778
 1242   HG11  VAL  54          HG11      VAL  54  41.249 -14.618  87.234
 1243   HG12  VAL  54          HG12      VAL  54  41.511 -16.346  87.026
 1244   HG13  VAL  54          HG13      VAL  54  40.468 -15.470  85.906
 1245   HG21  VAL  54          HG21      VAL  54  41.646 -13.543  84.461
 1246   HG22  VAL  54          HG22      VAL  54  43.406 -13.448  84.534
 1247   HG23  VAL  54          HG23      VAL  54  42.440 -12.986  85.935
 1248    H    THR  55           HN       THR  55  45.380 -13.311  86.826
 1249    HA   THR  55           HA       THR  55  44.191 -12.633  89.459
 1250    HB   THR  55           HB       THR  55  46.572 -13.729  89.359
 1251    HG1  THR  55           HG1      THR  55  46.347 -13.023  91.302
 1252   HG21  THR  55          HG21      THR  55  47.345 -10.840  88.880
 1253   HG22  THR  55          HG22      THR  55  47.337 -12.044  87.593
 1254   HG23  THR  55          HG23      THR  55  48.402 -12.244  88.976
 1255    H    GLU  56           HN       GLU  56  43.306 -10.613  89.555
 1256    HA   GLU  56           HA       GLU  56  44.266  -8.568  87.625
 1257    HB2  GLU  56           HB2      GLU  56  41.934  -7.527  88.364
 1258    HB3  GLU  56           HB1      GLU  56  42.011  -8.782  87.128
 1259    HG2  GLU  56           HG2      GLU  56  41.539 -10.503  88.792
 1260    HG3  GLU  56           HG1      GLU  56  41.535  -9.294  90.074
 1261    H1   MET   1           HT1      MET   1  63.404 -18.106  99.284
 1262    H2   MET   1           HT2      MET   1  64.238 -16.625  99.319
 1263    H3   MET   1           HT3      MET   1  62.593 -16.668  98.905
 1264    HA   MET   1           HA       MET   1  63.056 -15.877 101.189
 1265    HB2  MET   1           HB2      MET   1  60.915 -16.547 101.521
 1266    HB3  MET   1           HB1      MET   1  61.073 -17.617 100.151
 1267    HG2  MET   1           HG2      MET   1  62.123 -19.307 101.854
 1268    HG3  MET   1           HG1      MET   1  61.428 -18.254 103.085
 1269    HE1  MET   1           HE1      MET   1  61.090 -19.889  99.866
 1270    HE2  MET   1           HE2      MET   1  59.509 -19.247  99.455
 1271    HE3  MET   1           HE3      MET   1  59.652 -20.910  99.973
 1272    H    GLN   2           HN       GLN   2  63.161 -17.029 103.462
 1273    HA   GLN   2           HA       GLN   2  65.442 -18.921 103.416
 1274    HB2  GLN   2           HB2      GLN   2  65.004 -16.518 105.200
 1275    HB3  GLN   2           HB1      GLN   2  66.236 -17.745 105.483
 1276    HG2  GLN   2           HG2      GLN   2  67.318 -17.227 103.374
 1277    HG3  GLN   2           HG1      GLN   2  66.016 -16.124 102.931
 1278   HE21  GLN   2          HE21      GLN   2  66.066 -15.254 106.053
 1279   HE22  GLN   2          HE22      GLN   2  67.349 -14.143 106.085
 1280    H    TYR   3           HN       TYR   3  65.397 -20.582 104.837
 1281    HA   TYR   3           HA       TYR   3  63.100 -20.726 106.701
 1282    HB2  TYR   3           HB2      TYR   3  64.568 -23.163 105.731
 1283    HB3  TYR   3           HB1      TYR   3  62.944 -23.024 106.409
 1284    HD1  TYR   3           HD2      TYR   3  65.023 -21.915 103.521
 1285    HD2  TYR   3           HD1      TYR   3  61.097 -22.896 104.960
 1286    HE1  TYR   3           HE2      TYR   3  64.127 -21.704 101.222
 1287    HE2  TYR   3           HE1      TYR   3  60.203 -22.687 102.657
 1288    HH   TYR   3           HH       TYR   3  62.241 -21.565  99.991
 1289    H    LYS   4           HN       LYS   4  63.537 -21.675 108.729
 1290    HA   LYS   4           HA       LYS   4  66.413 -21.529 109.509
 1291    HB2  LYS   4           HB2      LYS   4  64.914 -19.688 110.337
 1292    HB3  LYS   4           HB1      LYS   4  63.985 -20.903 111.205
 1293    HG2  LYS   4           HG2      LYS   4  65.994 -21.533 112.492
 1294    HG3  LYS   4           HG1      LYS   4  66.937 -20.324 111.616
 1295    HD2  LYS   4           HD2      LYS   4  65.566 -18.522 112.500
 1296    HD3  LYS   4           HD1      LYS   4  64.460 -19.675 113.248
 1297    HE2  LYS   4           HE2      LYS   4  65.875 -18.967 115.015
 1298    HE3  LYS   4           HE1      LYS   4  66.513 -20.540 114.537
 1299    HZ1  LYS   4           HZ1      LYS   4  67.533 -17.895 113.663
 1300    HZ2  LYS   4           HZ2      LYS   4  68.121 -19.394 113.122
 1301    HZ3  LYS   4           HZ3      LYS   4  68.291 -18.951 114.753
 1302    H    LEU   5           HN       LEU   5  67.280 -23.357 110.349
 1303    HA   LEU   5           HA       LEU   5  65.429 -25.471 111.297
 1304    HB2  LEU   5           HB2      LEU   5  66.816 -26.179 109.427
 1305    HB3  LEU   5           HB1      LEU   5  68.256 -25.632 110.241
 1306    HG   LEU   5           HG       LEU   5  67.657 -28.194 110.171
 1307   HD11  LEU   5          HD11      LEU   5  68.817 -28.571 112.310
 1308   HD12  LEU   5          HD12      LEU   5  68.659 -26.862 112.684
 1309   HD13  LEU   5          HD13      LEU   5  69.612 -27.374 111.295
 1310   HD21  LEU   5          HD21      LEU   5  65.370 -27.723 111.293
 1311   HD22  LEU   5          HD22      LEU   5  66.294 -27.632 112.782
 1312   HD23  LEU   5          HD23      LEU   5  66.307 -29.102 111.829
 1313    H    ILE   6           HN       ILE   6  65.397 -25.964 113.402
 1314    HA   ILE   6           HA       ILE   6  67.377 -24.690 115.189
 1315    HB   ILE   6           HB       ILE   6  64.865 -26.182 115.970
 1316   HG12  ILE   6          HG12      ILE   6  64.263 -24.328 114.467
 1317   HG13  ILE   6          HG11      ILE   6  63.764 -23.979 116.119
 1318   HG21  ILE   6          HG21      ILE   6  66.618 -24.167 117.389
 1319   HG22  ILE   6          HG22      ILE   6  66.521 -25.894 117.729
 1320   HG23  ILE   6          HG23      ILE   6  65.132 -24.855 118.044
 1321   HD11  ILE   6          HD11      ILE   6  66.128 -22.855 114.607
 1322   HD12  ILE   6          HD12      ILE   6  65.948 -22.686 116.352
 1323   HD13  ILE   6          HD13      ILE   6  64.751 -21.984 115.273
 1324    H    LEU   7           HN       LEU   7  68.829 -25.831 116.227
 1325    HA   LEU   7           HA       LEU   7  68.936 -28.717 115.737
 1326    HB2  LEU   7           HB2      LEU   7  70.902 -26.683 116.781
 1327    HB3  LEU   7           HB1      LEU   7  71.192 -28.406 116.979
 1328    HG   LEU   7           HG       LEU   7  70.619 -28.373 114.313
 1329   HD11  LEU   7          HD11      LEU   7  71.921 -25.699 114.893
 1330   HD12  LEU   7          HD12      LEU   7  70.289 -25.928 114.264
 1331   HD13  LEU   7          HD13      LEU   7  71.684 -26.403 113.293
 1332   HD21  LEU   7          HD21      LEU   7  72.650 -29.286 115.393
 1333   HD22  LEU   7          HD22      LEU   7  73.305 -27.653 115.514
 1334   HD23  LEU   7          HD23      LEU   7  73.038 -28.380 113.931
 1335    H    ASN   8           HN       ASN   8  67.919 -29.958 117.092
 1336    HA   ASN   8           HA       ASN   8  68.256 -29.542 119.988
 1337    HB2  ASN   8           HB2      ASN   8  65.843 -30.528 120.068
 1338    HB3  ASN   8           HB1      ASN   8  66.048 -28.811 119.727
 1339   HD21  ASN   8          HD21      ASN   8  64.216 -31.324 118.724
 1340   HD22  ASN   8          HD22      ASN   8  64.035 -30.935 117.081
 1341    H    GLY   9           HN       GLY   9  69.907 -31.129 119.815
 1342    HA2  GLY   9           HA2      GLY   9  68.922 -33.879 119.255
 1343    HA3  GLY   9           HA1      GLY   9  70.534 -33.338 118.809
 1344    H    LYS  10           HN       LYS  10  71.402 -35.060 120.060
 1345    HA   LYS  10           HA       LYS  10  70.877 -35.238 122.853
 1346    HB2  LYS  10           HB2      LYS  10  73.409 -36.297 121.602
 1347    HB3  LYS  10           HB1      LYS  10  72.457 -36.972 122.924
 1348    HG2  LYS  10           HG2      LYS  10  70.567 -37.139 121.060
 1349    HG3  LYS  10           HG1      LYS  10  71.943 -37.091 119.961
 1350    HD2  LYS  10           HD2      LYS  10  72.946 -39.018 121.132
 1351    HD3  LYS  10           HD1      LYS  10  71.564 -39.070 122.226
 1352    HE2  LYS  10           HE2      LYS  10  70.058 -39.472 120.319
 1353    HE3  LYS  10           HE1      LYS  10  71.429 -39.403 119.214
 1354    HZ1  LYS  10           HZ1      LYS  10  70.489 -41.630 120.488
 1355    HZ2  LYS  10           HZ2      LYS  10  71.882 -41.217 121.369
 1356    HZ3  LYS  10           HZ3      LYS  10  71.981 -41.484 119.694
 1357    H    THR  11           HN       THR  11  73.702 -33.852 121.034
 1358    HA   THR  11           HA       THR  11  74.121 -32.057 123.350
 1359    HB   THR  11           HB       THR  11  76.607 -32.289 122.875
 1360    HG1  THR  11           HG1      THR  11  75.909 -34.765 121.761
 1361   HG21  THR  11          HG21      THR  11  74.965 -34.618 123.884
 1362   HG22  THR  11          HG22      THR  11  75.599 -33.273 124.829
 1363   HG23  THR  11          HG23      THR  11  76.704 -34.458 124.133
 1364    H    LEU  12           HN       LEU  12  73.691 -32.386 120.001
 1365    HA   LEU  12           HA       LEU  12  75.117 -29.950 119.338
 1366    HB2  LEU  12           HB2      LEU  12  74.395 -32.263 117.930
 1367    HB3  LEU  12           HB1      LEU  12  73.326 -31.037 117.265
 1368    HG   LEU  12           HG       LEU  12  76.349 -31.000 117.366
 1369   HD11  LEU  12          HD11      LEU  12  76.182 -30.922 114.947
 1370   HD12  LEU  12          HD12      LEU  12  74.433 -30.730 115.034
 1371   HD13  LEU  12          HD13      LEU  12  75.177 -32.252 115.522
 1372   HD21  LEU  12          HD21      LEU  12  74.413 -28.750 117.254
 1373   HD22  LEU  12          HD22      LEU  12  75.625 -28.724 115.980
 1374   HD23  LEU  12          HD23      LEU  12  76.127 -28.746 117.664
 1375    H    LYS  13           HN       LYS  13  74.199 -28.050 119.899
 1376    HA   LYS  13           HA       LYS  13  71.372 -27.625 119.179
 1377    HB2  LYS  13           HB2      LYS  13  72.597 -27.069 121.890
 1378    HB3  LYS  13           HB1      LYS  13  71.140 -26.261 121.332
 1379    HG2  LYS  13           HG2      LYS  13  70.031 -28.029 122.274
 1380    HG3  LYS  13           HG1      LYS  13  70.488 -28.898 120.817
 1381    HD2  LYS  13           HD2      LYS  13  72.734 -29.342 122.234
 1382    HD3  LYS  13           HD1      LYS  13  71.631 -29.087 123.587
 1383    HE2  LYS  13           HE2      LYS  13  71.507 -31.411 123.185
 1384    HE3  LYS  13           HE1      LYS  13  70.081 -30.772 122.364
 1385    HZ1  LYS  13           HZ1      LYS  13  70.936 -31.213 120.343
 1386    HZ2  LYS  13           HZ2      LYS  13  71.867 -32.355 121.187
 1387    HZ3  LYS  13           HZ3      LYS  13  72.522 -30.838 120.800
 1388    H    GLY  14           HN       GLY  14  70.927 -25.729 118.316
 1389    HA2  GLY  14           HA2      GLY  14  72.114 -23.265 118.711
 1390    HA3  GLY  14           HA1      GLY  14  73.026 -24.034 117.411
 1391    H    GLU  15           HN       GLU  15  72.202 -22.426 115.872
 1392    HA   GLU  15           HA       GLU  15  69.435 -23.013 114.981
 1393    HB2  GLU  15           HB2      GLU  15  70.775 -20.320 114.687
 1394    HB3  GLU  15           HB1      GLU  15  69.108 -20.751 114.312
 1395    HG2  GLU  15           HG2      GLU  15  70.280 -20.954 117.076
 1396    HG3  GLU  15           HG1      GLU  15  69.451 -19.521 116.482
 1397    H    THR  16           HN       THR  16  69.130 -22.713 112.662
 1398    HA   THR  16           HA       THR  16  71.550 -22.474 111.034
 1399    HB   THR  16           HB       THR  16  70.268 -24.714 109.915
 1400    HG1  THR  16           HG1      THR  16  69.154 -25.170 111.745
 1401   HG21  THR  16          HG21      THR  16  72.689 -24.559 111.705
 1402   HG22  THR  16          HG22      THR  16  72.666 -24.354 109.954
 1403   HG23  THR  16          HG23      THR  16  72.283 -25.922 110.663
 1404    H    THR  17           HN       THR  17  71.122 -21.919 108.876
 1405    HA   THR  17           HA       THR  17  68.312 -21.632 108.095
 1406    HB   THR  17           HB       THR  17  70.063 -19.207 107.821
 1407    HG1  THR  17           HG1      THR  17  68.614 -20.064 110.093
 1408   HG21  THR  17          HG21      THR  17  67.997 -18.070 107.639
 1409   HG22  THR  17          HG22      THR  17  67.099 -19.409 108.342
 1410   HG23  THR  17          HG23      THR  17  67.758 -19.543 106.714
 1411    H    THR  18           HN       THR  18  68.009 -21.033 105.873
 1412    HA   THR  18           HA       THR  18  70.266 -21.125 104.074
 1413    HB   THR  18           HB       THR  18  69.641 -23.550 104.633
 1414    HG1  THR  18           HG1      THR  18  69.466 -23.938 102.211
 1415   HG21  THR  18          HG21      THR  18  67.327 -23.030 102.774
 1416   HG22  THR  18          HG22      THR  18  67.127 -22.947 104.523
 1417   HG23  THR  18          HG23      THR  18  67.643 -24.453 103.762
 1418    H    GLU  19           HN       GLU  19  69.682 -20.469 101.959
 1419    HA   GLU  19           HA       GLU  19  67.100 -19.021 101.766
 1420    HB2  GLU  19           HB2      GLU  19  69.243 -17.736 101.521
 1421    HB3  GLU  19           HB1      GLU  19  69.647 -18.745 100.137
 1422    HG2  GLU  19           HG2      GLU  19  68.685 -16.886  99.098
 1423    HG3  GLU  19           HG1      GLU  19  67.303 -17.969  99.218
 1424    H    ALA  20           HN       ALA  20  65.553 -20.054 100.546
 1425    HA   ALA  20           HA       ALA  20  66.350 -21.352  98.057
 1426    HB1  ALA  20           HB1      ALA  20  66.072 -22.875 100.431
 1427    HB2  ALA  20           HB2      ALA  20  66.210 -23.497  98.791
 1428    HB3  ALA  20           HB3      ALA  20  64.618 -23.210  99.493
 1429    H    VAL  21           HN       VAL  21  64.516 -22.041  96.784
 1430    HA   VAL  21           HA       VAL  21  62.338 -20.145  96.981
 1431    HB   VAL  21           HB       VAL  21  62.975 -20.436  94.751
 1432   HG11  VAL  21          HG11      VAL  21  63.427 -23.319  95.522
 1433   HG12  VAL  21          HG12      VAL  21  64.627 -22.125  95.031
 1434   HG13  VAL  21          HG13      VAL  21  63.486 -22.763  93.855
 1435   HG21  VAL  21          HG21      VAL  21  61.192 -21.500  93.632
 1436   HG22  VAL  21          HG22      VAL  21  60.491 -21.141  95.208
 1437   HG23  VAL  21          HG23      VAL  21  61.055 -22.769  94.846
 1438    H    ASP  22           HN       ASP  22  62.931 -23.620  97.180
 1439    HA   ASP  22           HA       ASP  22  60.134 -23.985  98.110
 1440    HB2  ASP  22           HB2      ASP  22  60.932 -25.328  96.154
 1441    HB3  ASP  22           HB1      ASP  22  62.057 -26.125  97.249
 1442    H    ALA  23           HN       ALA  23  59.668 -25.227  99.862
 1443    HA   ALA  23           HA       ALA  23  61.491 -24.991 102.071
 1444    HB1  ALA  23           HB1      ALA  23  59.167 -24.787 102.576
 1445    HB2  ALA  23           HB2      ALA  23  59.677 -26.336 103.247
 1446    HB3  ALA  23           HB3      ALA  23  58.783 -26.284 101.729
 1447    H    ALA  24           HN       ALA  24  60.197 -27.661 100.113
 1448    HA   ALA  24           HA       ALA  24  61.469 -29.774 101.477
 1449    HB1  ALA  24           HB1      ALA  24  59.631 -29.984  99.731
 1450    HB2  ALA  24           HB2      ALA  24  60.957 -31.135  99.567
 1451    HB3  ALA  24           HB3      ALA  24  60.876 -29.729  98.507
 1452    H    THR  25           HN       THR  25  62.714 -27.695  98.707
 1453    HA   THR  25           HA       THR  25  65.102 -29.191  98.334
 1454    HB   THR  25           HB       THR  25  63.985 -27.310  96.828
 1455    HG1  THR  25           HG1      THR  25  66.219 -26.993  95.996
 1456   HG21  THR  25          HG21      THR  25  66.231 -25.637  97.911
 1457   HG22  THR  25          HG22      THR  25  64.674 -25.569  98.735
 1458   HG23  THR  25          HG23      THR  25  64.789 -25.125  97.033
 1459    H    ALA  26           HN       ALA  26  64.167 -26.684 100.594
 1460    HA   ALA  26           HA       ALA  26  66.785 -25.960 101.449
 1461    HB1  ALA  26           HB1      ALA  26  65.146 -24.372 101.977
 1462    HB2  ALA  26           HB2      ALA  26  65.426 -25.154 103.530
 1463    HB3  ALA  26           HB3      ALA  26  64.017 -25.589 102.568
 1464    H    GLU  27           HN       GLU  27  64.476 -28.377 102.404
 1465    HA   GLU  27           HA       GLU  27  65.712 -29.231 104.804
 1466    HB2  GLU  27           HB2      GLU  27  63.884 -30.590 104.932
 1467    HB3  GLU  27           HB1      GLU  27  63.341 -29.806 103.454
 1468    HG2  GLU  27           HG2      GLU  27  64.610 -31.567 102.151
 1469    HG3  GLU  27           HG1      GLU  27  64.912 -32.391 103.675
 1470    H    LYS  28           HN       LYS  28  66.256 -29.999 101.433
 1471    HA   LYS  28           HA       LYS  28  67.620 -32.420 101.699
 1472    HB2  LYS  28           HB2      LYS  28  68.107 -30.157  99.744
 1473    HB3  LYS  28           HB1      LYS  28  68.778 -31.780  99.583
 1474    HG2  LYS  28           HG2      LYS  28  66.420 -32.672  99.664
 1475    HG3  LYS  28           HG1      LYS  28  65.853 -31.005  99.578
 1476    HD2  LYS  28           HD2      LYS  28  67.174 -30.734  97.442
 1477    HD3  LYS  28           HD1      LYS  28  67.540 -32.457  97.505
 1478    HE2  LYS  28           HE2      LYS  28  65.286 -33.082  97.132
 1479    HE3  LYS  28           HE1      LYS  28  64.666 -31.517  97.638
 1480    HZ1  LYS  28           HZ1      LYS  28  65.778 -30.565  95.513
 1481    HZ2  LYS  28           HZ2      LYS  28  64.438 -31.569  95.231
 1482    HZ3  LYS  28           HZ3      LYS  28  66.009 -32.169  95.002
 1483    H    VAL  29           HN       VAL  29  68.756 -29.092 101.997
 1484    HA   VAL  29           HA       VAL  29  71.489 -29.794 102.439
 1485    HB   VAL  29           HB       VAL  29  70.108 -27.271 103.359
 1486   HG11  VAL  29          HG11      VAL  29  72.478 -27.742 104.067
 1487   HG12  VAL  29          HG12      VAL  29  72.306 -26.293 103.077
 1488   HG13  VAL  29          HG13      VAL  29  72.925 -27.781 102.362
 1489   HG21  VAL  29          HG21      VAL  29  71.110 -28.070 100.612
 1490   HG22  VAL  29          HG22      VAL  29  70.807 -26.397 101.083
 1491   HG23  VAL  29          HG23      VAL  29  69.479 -27.558 101.048
 1492    H    PHE  30           HN       PHE  30  68.866 -28.747 104.619
 1493    HA   PHE  30           HA       PHE  30  70.268 -28.994 107.025
 1494    HB2  PHE  30           HB2      PHE  30  67.317 -29.233 106.500
 1495    HB3  PHE  30           HB1      PHE  30  68.036 -29.085 108.093
 1496    HD1  PHE  30           HD1      PHE  30  70.071 -27.012 107.895
 1497    HD2  PHE  30           HD2      PHE  30  66.258 -27.246 105.904
 1498    HE1  PHE  30           HE1      PHE  30  70.043 -24.560 107.637
 1499    HE2  PHE  30           HE2      PHE  30  66.243 -24.787 105.677
 1500    HZ   PHE  30           HZ       PHE  30  68.131 -23.445 106.547
 1501    H    LYS  31           HN       LYS  31  68.163 -31.393 105.395
 1502    HA   LYS  31           HA       LYS  31  68.421 -33.282 107.517
 1503    HB2  LYS  31           HB2      LYS  31  67.456 -33.462 104.669
 1504    HB3  LYS  31           HB1      LYS  31  67.699 -34.935 105.606
 1505    HG2  LYS  31           HG2      LYS  31  66.238 -33.824 107.422
 1506    HG3  LYS  31           HG1      LYS  31  65.803 -32.648 106.184
 1507    HD2  LYS  31           HD2      LYS  31  64.927 -34.416 104.761
 1508    HD3  LYS  31           HD1      LYS  31  65.491 -35.646 105.887
 1509    HE2  LYS  31           HE2      LYS  31  63.970 -34.871 107.595
 1510    HE3  LYS  31           HE1      LYS  31  63.499 -33.485 106.609
 1511    HZ1  LYS  31           HZ1      LYS  31  63.142 -35.697 105.015
 1512    HZ2  LYS  31           HZ2      LYS  31  61.928 -34.765 105.752
 1513    HZ3  LYS  31           HZ3      LYS  31  62.530 -36.150 106.530
 1514    H    GLN  32           HN       GLN  32  70.113 -32.879 104.424
 1515    HA   GLN  32           HA       GLN  32  71.805 -35.143 104.765
 1516    HB2  GLN  32           HB2      GLN  32  71.306 -33.906 102.611
 1517    HB3  GLN  32           HB1      GLN  32  72.402 -32.646 103.180
 1518    HG2  GLN  32           HG2      GLN  32  74.184 -34.387 103.440
 1519    HG3  GLN  32           HG1      GLN  32  73.088 -35.561 102.713
 1520   HE21  GLN  32          HE21      GLN  32  75.652 -33.498 101.928
 1521   HE22  GLN  32          HE22      GLN  32  75.307 -33.257 100.284
 1522    H    TYR  33           HN       TYR  33  71.916 -31.790 105.715
 1523    HA   TYR  33           HA       TYR  33  74.626 -31.644 106.506
 1524    HB2  TYR  33           HB2      TYR  33  73.464 -29.632 106.092
 1525    HB3  TYR  33           HB1      TYR  33  72.128 -30.120 107.129
 1526    HD1  TYR  33           HD2      TYR  33  75.651 -29.039 107.076
 1527    HD2  TYR  33           HD1      TYR  33  72.187 -29.804 109.499
 1528    HE1  TYR  33           HE2      TYR  33  76.742 -27.908 108.993
 1529    HE2  TYR  33           HE1      TYR  33  73.277 -28.666 111.414
 1530    HH   TYR  33           HH       TYR  33  76.156 -28.228 111.903
 1531    H    ALA  34           HN       ALA  34  71.639 -32.562 108.142
 1532    HA   ALA  34           HA       ALA  34  72.547 -32.545 110.792
 1533    HB1  ALA  34           HB1      ALA  34  70.394 -34.035 109.323
 1534    HB2  ALA  34           HB2      ALA  34  70.240 -32.833 110.603
 1535    HB3  ALA  34           HB3      ALA  34  70.760 -34.472 110.992
 1536    H    ASN  35           HN       ASN  35  72.901 -35.059 108.219
 1537    HA   ASN  35           HA       ASN  35  73.900 -37.088 109.886
 1538    HB2  ASN  35           HB2      ASN  35  73.179 -37.036 107.329
 1539    HB3  ASN  35           HB1      ASN  35  74.898 -36.745 107.073
 1540   HD21  ASN  35          HD21      ASN  35  76.093 -38.719 106.807
 1541   HD22  ASN  35          HD22      ASN  35  75.658 -40.199 107.515
 1542    H    ASP  36           HN       ASP  36  75.492 -34.484 108.046
 1543    HA   ASP  36           HA       ASP  36  78.153 -35.137 108.782
 1544    HB2  ASP  36           HB2      ASP  36  77.258 -32.337 108.127
 1545    HB3  ASP  36           HB1      ASP  36  78.754 -33.160 107.682
 1546    H    ASN  37           HN       ASN  37  75.576 -33.507 110.430
 1547    HA   ASN  37           HA       ASN  37  77.379 -32.199 112.325
 1548    HB2  ASN  37           HB2      ASN  37  74.687 -31.843 111.329
 1549    HB3  ASN  37           HB1      ASN  37  74.651 -31.904 113.078
 1550   HD21  ASN  37          HD21      ASN  37  74.207 -29.612 113.285
 1551   HD22  ASN  37          HD22      ASN  37  75.380 -28.442 112.918
 1552    H    GLY  38           HN       GLY  38  75.329 -35.063 112.155
 1553    HA2  GLY  38           HA2      GLY  38  75.798 -36.918 113.611
 1554    HA3  GLY  38           HA1      GLY  38  76.210 -35.784 114.888
 1555    H    VAL  39           HN       VAL  39  73.810 -34.099 114.498
 1556    HA   VAL  39           HA       VAL  39  72.005 -35.715 116.086
 1557    HB   VAL  39           HB       VAL  39  72.221 -33.474 116.833
 1558   HG11  VAL  39          HG11      VAL  39  73.077 -32.583 114.641
 1559   HG12  VAL  39          HG12      VAL  39  71.939 -31.524 115.454
 1560   HG13  VAL  39          HG13      VAL  39  71.414 -32.500 114.088
 1561   HG21  VAL  39          HG21      VAL  39  69.872 -34.339 116.795
 1562   HG22  VAL  39          HG22      VAL  39  69.632 -33.525 115.256
 1563   HG23  VAL  39          HG23      VAL  39  69.963 -32.585 116.704
 1564    H    ASP  40           HN       ASP  40  70.783 -37.160 115.102
 1565    HA   ASP  40           HA       ASP  40  69.174 -36.331 112.746
 1566    HB2  ASP  40           HB2      ASP  40  71.113 -38.008 112.318
 1567    HB3  ASP  40           HB1      ASP  40  70.110 -39.168 113.184
 1568    H    GLY  41           HN       GLY  41  67.068 -36.144 113.556
 1569    HA2  GLY  41           HA2      GLY  41  66.030 -38.457 115.079
 1570    HA3  GLY  41           HA1      GLY  41  65.884 -36.857 115.788
 1571    H    GLU  42           HN       GLU  42  63.527 -37.020 115.762
 1572    HA   GLU  42           HA       GLU  42  62.181 -37.470 113.303
 1573    HB2  GLU  42           HB2      GLU  42  60.850 -36.122 115.629
 1574    HB3  GLU  42           HB1      GLU  42  60.216 -37.337 114.525
 1575    HG2  GLU  42           HG2      GLU  42  62.222 -37.773 116.751
 1576    HG3  GLU  42           HG1      GLU  42  60.575 -38.393 116.668
 1577    H    TRP  43           HN       TRP  43  61.540 -36.046 111.855
 1578    HA   TRP  43           HA       TRP  43  62.386 -33.252 112.173
 1579    HB2  TRP  43           HB2      TRP  43  61.758 -34.970 109.775
 1580    HB3  TRP  43           HB1      TRP  43  62.063 -33.236 109.672
 1581    HD1  TRP  43           HD1      TRP  43  63.842 -36.546 110.525
 1582    HE1  TRP  43           HE1      TRP  43  66.385 -36.117 110.528
 1583    HE3  TRP  43           HE3      TRP  43  63.857 -31.505 109.906
 1584    HZ2  TRP  43           HZ2      TRP  43  68.186 -33.913 110.264
 1585    HZ3  TRP  43           HZ3      TRP  43  65.979 -30.265 109.771
 1586    HH2  TRP  43           HH2      TRP  43  68.146 -31.452 109.948
 1587    H    THR  44           HN       THR  44  61.155 -31.636 111.239
 1588    HA   THR  44           HA       THR  44  58.326 -31.991 110.754
 1589    HB   THR  44           HB       THR  44  58.256 -31.895 113.177
 1590    HG1  THR  44           HG1      THR  44  57.447 -29.774 111.632
 1591   HG21  THR  44          HG21      THR  44  60.264 -29.679 112.784
 1592   HG22  THR  44          HG22      THR  44  60.308 -31.043 113.902
 1593   HG23  THR  44          HG23      THR  44  59.223 -29.688 114.206
 1594    H    TYR  45           HN       TYR  45  57.373 -29.874 109.992
 1595    HA   TYR  45           HA       TYR  45  59.308 -27.748 109.514
 1596    HB2  TYR  45           HB2      TYR  45  59.717 -29.078 107.557
 1597    HB3  TYR  45           HB1      TYR  45  57.992 -29.268 107.261
 1598    HD1  TYR  45           HD2      TYR  45  60.328 -26.391 107.972
 1599    HD2  TYR  45           HD1      TYR  45  57.161 -27.942 105.517
 1600    HE1  TYR  45           HE2      TYR  45  60.312 -24.294 106.669
 1601    HE2  TYR  45           HE1      TYR  45  57.147 -25.834 104.211
 1602    HH   TYR  45           HH       TYR  45  57.967 -23.777 104.038
 1603    H    ASP  46           HN       ASP  46  58.369 -25.897 109.887
 1604    HA   ASP  46           HA       ASP  46  55.437 -25.710 109.606
 1605    HB2  ASP  46           HB2      ASP  46  56.275 -25.002 111.808
 1606    HB3  ASP  46           HB1      ASP  46  57.388 -23.862 111.030
 1607    H    ASP  47           HN       ASP  47  54.848 -24.982 107.566
 1608    HA   ASP  47           HA       ASP  47  56.711 -23.431 105.972
 1609    HB2  ASP  47           HB2      ASP  47  55.077 -25.274 105.150
 1610    HB3  ASP  47           HB1      ASP  47  53.851 -24.012 105.222
 1611    H    ALA  48           HN       ALA  48  54.384 -22.767 108.282
 1612    HA   ALA  48           HA       ALA  48  53.411 -20.281 107.181
 1613    HB1  ALA  48           HB1      ALA  48  52.594 -20.031 109.623
 1614    HB2  ALA  48           HB2      ALA  48  53.168 -21.686 109.829
 1615    HB3  ALA  48           HB3      ALA  48  51.908 -21.331 108.649
 1616    H    THR  49           HN       THR  49  56.153 -21.306 109.144
 1617    HA   THR  49           HA       THR  49  57.019 -18.486 109.414
 1618    HB   THR  49           HB       THR  49  58.241 -19.440 111.554
 1619    HG1  THR  49           HG1      THR  49  55.983 -21.044 111.771
 1620   HG21  THR  49          HG21      THR  49  56.307 -18.837 112.946
 1621   HG22  THR  49          HG22      THR  49  55.256 -18.946 111.535
 1622   HG23  THR  49          HG23      THR  49  56.505 -17.703 111.611
 1623    H    LYS  50           HN       LYS  50  57.536 -21.093 107.650
 1624    HA   LYS  50           HA       LYS  50  59.367 -22.169 106.737
 1625    HB2  LYS  50           HB2      LYS  50  60.814 -19.547 107.085
 1626    HB3  LYS  50           HB1      LYS  50  60.917 -20.695 105.752
 1627    HG2  LYS  50           HG2      LYS  50  58.455 -19.043 106.415
 1628    HG3  LYS  50           HG1      LYS  50  59.624 -18.646 105.161
 1629    HD2  LYS  50           HD2      LYS  50  59.157 -20.848 104.076
 1630    HD3  LYS  50           HD1      LYS  50  57.904 -21.140 105.281
 1631    HE2  LYS  50           HE2      LYS  50  56.559 -19.370 104.490
 1632    HE3  LYS  50           HE1      LYS  50  57.891 -18.640 103.595
 1633    HZ1  LYS  50           HZ1      LYS  50  57.790 -21.069 102.496
 1634    HZ2  LYS  50           HZ2      LYS  50  56.971 -19.715 101.876
 1635    HZ3  LYS  50           HZ3      LYS  50  56.151 -20.831 102.859
 1636    H    THR  51           HN       THR  51  59.251 -22.942 109.299
 1637    HA   THR  51           HA       THR  51  62.075 -22.779 110.223
 1638    HB   THR  51           HB       THR  51  59.582 -22.714 111.950
 1639    HG1  THR  51           HG1      THR  51  60.476 -20.729 112.572
 1640   HG21  THR  51          HG21      THR  51  61.385 -22.501 113.800
 1641   HG22  THR  51          HG22      THR  51  62.495 -23.185 112.612
 1642   HG23  THR  51          HG23      THR  51  61.089 -24.110 113.141
 1643    H    PHE  52           HN       PHE  52  63.094 -24.736 110.385
 1644    HA   PHE  52           HA       PHE  52  61.461 -27.203 110.461
 1645    HB2  PHE  52           HB2      PHE  52  64.289 -26.591 109.595
 1646    HB3  PHE  52           HB1      PHE  52  63.682 -28.233 109.788
 1647    HD1  PHE  52           HD2      PHE  52  63.242 -25.054 107.888
 1648    HD2  PHE  52           HD1      PHE  52  62.283 -29.235 108.174
 1649    HE1  PHE  52           HE2      PHE  52  62.358 -25.033 105.560
 1650    HE2  PHE  52           HE1      PHE  52  61.420 -29.199 105.854
 1651    HZ   PHE  52           HZ       PHE  52  61.460 -27.097 104.550
 1652    H    THR  53           HN       THR  53  62.248 -28.921 111.951
 1653    HA   THR  53           HA       THR  53  64.303 -28.177 113.870
 1654    HB   THR  53           HB       THR  53  63.008 -28.378 115.875
 1655    HG1  THR  53           HG1      THR  53  60.708 -28.677 115.677
 1656   HG21  THR  53          HG21      THR  53  62.924 -26.143 114.768
 1657   HG22  THR  53          HG22      THR  53  61.518 -26.465 115.763
 1658   HG23  THR  53          HG23      THR  53  61.409 -26.603 114.010
 1659    H    VAL  54           HN       VAL  54  65.494 -30.053 114.398
 1660    HA   VAL  54           HA       VAL  54  64.149 -32.662 113.878
 1661    HB   VAL  54           HB       VAL  54  66.036 -32.197 112.359
 1662   HG11  VAL  54          HG11      VAL  54  67.784 -32.232 114.823
 1663   HG12  VAL  54          HG12      VAL  54  67.251 -30.745 114.046
 1664   HG13  VAL  54          HG13      VAL  54  68.271 -31.885 113.167
 1665   HG21  VAL  54          HG21      VAL  54  67.246 -34.300 112.739
 1666   HG22  VAL  54          HG22      VAL  54  65.533 -34.533 113.092
 1667   HG23  VAL  54          HG23      VAL  54  66.687 -34.343 114.411
 1668    H    THR  55           HN       THR  55  63.790 -33.918 115.614
 1669    HA   THR  55           HA       THR  55  65.392 -33.486 118.076
 1670    HB   THR  55           HB       THR  55  62.922 -32.629 118.003
 1671    HG1  THR  55           HG1      THR  55  63.442 -32.574 120.011
 1672   HG21  THR  55          HG21      THR  55  62.374 -35.516 118.727
 1673   HG22  THR  55          HG22      THR  55  62.110 -34.889 117.101
 1674   HG23  THR  55          HG23      THR  55  61.208 -34.219 118.457
 1675    H    GLU  56           HN       GLU  56  66.532 -35.255 118.707
 1676    HA   GLU  56           HA       GLU  56  65.566 -37.931 117.865
 1677    HB2  GLU  56           HB2      GLU  56  68.077 -38.472 118.562
 1678    HB3  GLU  56           HB1      GLU  56  67.703 -37.792 116.978
 1679    HG2  GLU  56           HG2      GLU  56  68.170 -35.538 117.799
 1680    HG3  GLU  56           HG1      GLU  56  68.490 -36.172 119.413
 1681    H1   MET   1           HT1      MET   1  53.774  15.117  96.252
 1682    H2   MET   1           HT2      MET   1  54.744  16.497  96.452
 1683    H3   MET   1           HT3      MET   1  53.145  16.652  95.898
 1684    HA   MET   1           HA       MET   1  53.393  17.286  98.231
 1685    HB2  MET   1           HB2      MET   1  51.203  16.661  98.314
 1686    HB3  MET   1           HB1      MET   1  51.485  15.562  96.980
 1687    HG2  MET   1           HG2      MET   1  52.329  13.900  98.844
 1688    HG3  MET   1           HG1      MET   1  51.473  14.981  99.942
 1689    HE1  MET   1           HE1      MET   1  51.597  13.217  96.783
 1690    HE2  MET   1           HE2      MET   1  50.107  13.819  96.071
 1691    HE3  MET   1           HE3      MET   1  50.158  12.190  96.732
 1692    H    GLN   2           HN       GLN   2  53.304  16.040 100.494
 1693    HA   GLN   2           HA       GLN   2  55.541  14.079 100.564
 1694    HB2  GLN   2           HB2      GLN   2  55.000  16.416 102.415
 1695    HB3  GLN   2           HB1      GLN   2  56.176  15.147 102.742
 1696    HG2  GLN   2           HG2      GLN   2  57.453  15.738 100.770
 1697    HG3  GLN   2           HG1      GLN   2  56.216  16.888 100.263
 1698   HE21  GLN   2          HE21      GLN   2  55.996  17.606 103.417
 1699   HE22  GLN   2          HE22      GLN   2  57.286  18.690 103.620
 1700    H    TYR   3           HN       TYR   3  55.351  12.387 101.987
 1701    HA   TYR   3           HA       TYR   3  52.855  12.242 103.581
 1702    HB2  TYR   3           HB2      TYR   3  54.376   9.793 102.736
 1703    HB3  TYR   3           HB1      TYR   3  52.687   9.957 103.217
 1704    HD1  TYR   3           HD2      TYR   3  55.111  11.104 100.623
 1705    HD2  TYR   3           HD1      TYR   3  51.038  10.102 101.552
 1706    HE1  TYR   3           HE2      TYR   3  54.505  11.351  98.235
 1707    HE2  TYR   3           HE1      TYR   3  50.435  10.343  99.159
 1708    HH   TYR   3           HH       TYR   3  52.703  11.619  96.814
 1709    H    LYS   4           HN       LYS   4  53.034  11.211 105.612
 1710    HA   LYS   4           HA       LYS   4  55.798  11.268 106.729
 1711    HB2  LYS   4           HB2      LYS   4  54.252  13.118 107.445
 1712    HB3  LYS   4           HB1      LYS   4  53.206  11.896 108.160
 1713    HG2  LYS   4           HG2      LYS   4  55.046  11.175 109.637
 1714    HG3  LYS   4           HG1      LYS   4  56.106  12.389 108.915
 1715    HD2  LYS   4           HD2      LYS   4  54.685  14.194 109.709
 1716    HD3  LYS   4           HD1      LYS   4  53.477  13.045 110.287
 1717    HE2  LYS   4           HE2      LYS   4  54.700  13.655 112.225
 1718    HE3  LYS   4           HE1      LYS   4  55.350  12.082 111.764
 1719    HZ1  LYS   4           HZ1      LYS   4  56.526  14.726 111.108
 1720    HZ2  LYS   4           HZ2      LYS   4  57.133  13.230 110.578
 1721    HZ3  LYS   4           HZ3      LYS   4  57.130  13.612 112.234
 1722    H    LEU   5           HN       LEU   5  56.519   9.387 107.600
 1723    HA   LEU   5           HA       LEU   5  54.520   7.294 108.252
 1724    HB2  LEU   5           HB2      LEU   5  56.093   6.608 106.526
 1725    HB3  LEU   5           HB1      LEU   5  57.445   7.084 107.517
 1726    HG   LEU   5           HG       LEU   5  56.790   4.544 107.286
 1727   HD11  LEU   5          HD11      LEU   5  57.695   4.063 109.525
 1728   HD12  LEU   5          HD12      LEU   5  57.539   5.762 109.942
 1729   HD13  LEU   5          HD13      LEU   5  58.628   5.270 108.649
 1730   HD21  LEU   5          HD21      LEU   5  54.405   5.043 108.168
 1731   HD22  LEU   5          HD22      LEU   5  55.160   5.061 109.752
 1732   HD23  LEU   5          HD23      LEU   5  55.244   3.622 108.756
 1733    H    ILE   6           HN       ILE   6  54.242   6.731 110.327
 1734    HA   ILE   6           HA       ILE   6  56.036   7.899 112.365
 1735    HB   ILE   6           HB       ILE   6  53.423   6.444 112.809
 1736   HG12  ILE   6          HG12      ILE   6  53.029   8.360 111.316
 1737   HG13  ILE   6          HG11      ILE   6  52.361   8.670 112.915
 1738   HG21  ILE   6          HG21      ILE   6  55.050   8.366 114.485
 1739   HG22  ILE   6          HG22      ILE   6  54.873   6.631 114.753
 1740   HG23  ILE   6          HG23      ILE   6  53.482   7.700 114.945
 1741   HD11  ILE   6          HD11      ILE   6  54.898   9.779 111.705
 1742   HD12  ILE   6          HD12      ILE   6  54.540   9.896 113.427
 1743   HD13  ILE   6          HD13      ILE   6  53.480  10.664 112.253
 1744    H    LEU   7           HN       LEU   7  57.341   6.686 113.522
 1745    HA   LEU   7           HA       LEU   7  57.433   3.814 112.946
 1746    HB2  LEU   7           HB2      LEU   7  59.320   5.757 114.271
 1747    HB3  LEU   7           HB1      LEU   7  59.542   4.022 114.442
 1748    HG   LEU   7           HG       LEU   7  59.271   4.155 111.730
 1749   HD11  LEU   7          HD11      LEU   7  60.565   6.771 112.551
 1750   HD12  LEU   7          HD12      LEU   7  59.018   6.606 111.721
 1751   HD13  LEU   7          HD13      LEU   7  60.508   6.122 110.912
 1752   HD21  LEU   7          HD21      LEU   7  61.141   3.144 112.995
 1753   HD22  LEU   7          HD22      LEU   7  61.821   4.750 113.253
 1754   HD23  LEU   7          HD23      LEU   7  61.719   4.088 111.623
 1755    H    ASN   8           HN       ASN   8  56.247   2.556 114.136
 1756    HA   ASN   8           HA       ASN   8  56.261   2.870 117.063
 1757    HB2  ASN   8           HB2      ASN   8  53.832   1.943 116.834
 1758    HB3  ASN   8           HB1      ASN   8  54.113   3.665 116.585
 1759   HD21  ASN   8          HD21      ASN   8  52.352   1.239 115.284
 1760   HD22  ASN   8          HD22      ASN   8  52.369   1.692 113.649
 1761    H    GLY   9           HN       GLY   9  57.883   1.243 117.030
 1762    HA2  GLY   9           HA2      GLY   9  56.905  -1.459 116.261
 1763    HA3  GLY   9           HA1      GLY   9  58.570  -0.948 116.019
 1764    H    LYS  10           HN       LYS  10  59.256  -2.728 117.298
 1765    HA   LYS  10           HA       LYS  10  58.411  -2.985 120.008
 1766    HB2  LYS  10           HB2      LYS  10  61.042  -4.074 119.011
 1767    HB3  LYS  10           HB1      LYS  10  59.931  -4.764 120.194
 1768    HG2  LYS  10           HG2      LYS  10  58.261  -4.819 118.125
 1769    HG3  LYS  10           HG1      LYS  10  59.753  -4.772 117.189
 1770    HD2  LYS  10           HD2      LYS  10  60.574  -6.763 118.396
 1771    HD3  LYS  10           HD1      LYS  10  59.076  -6.814 119.325
 1772    HE2  LYS  10           HE2      LYS  10  57.787  -7.111 117.246
 1773    HE3  LYS  10           HE1      LYS  10  59.279  -7.049 116.308
 1774    HZ1  LYS  10           HZ1      LYS  10  58.140  -9.285 117.385
 1775    HZ2  LYS  10           HZ2      LYS  10  59.423  -8.939 118.442
 1776    HZ3  LYS  10           HZ3      LYS  10  59.721  -9.158 116.784
 1777    H    THR  11           HN       THR  11  61.453  -1.619 118.561
 1778    HA   THR  11           HA       THR  11  61.655   0.087 120.971
 1779    HB   THR  11           HB       THR  11  64.173  -0.199 120.765
 1780    HG1  THR  11           HG1      THR  11  63.536  -2.614 119.489
 1781   HG21  THR  11          HG21      THR  11  62.375  -2.514 121.504
 1782   HG22  THR  11          HG22      THR  11  62.930  -1.217 122.560
 1783   HG23  THR  11          HG23      THR  11  64.078  -2.407 121.950
 1784    H    LEU  12           HN       LEU  12  61.591  -0.124 117.587
 1785    HA   LEU  12           HA       LEU  12  63.138   2.293 117.168
 1786    HB2  LEU  12           HB2      LEU  12  62.519   0.043 115.610
 1787    HB3  LEU  12           HB1      LEU  12  61.565   1.323 114.871
 1788    HG   LEU  12           HG       LEU  12  64.558   1.265 115.314
 1789   HD11  LEU  12          HD11      LEU  12  64.665   1.427 112.893
 1790   HD12  LEU  12          HD12      LEU  12  62.921   1.662 112.794
 1791   HD13  LEU  12          HD13      LEU  12  63.573   0.106 113.308
 1792   HD21  LEU  12          HD21      LEU  12  62.708   3.575 115.067
 1793   HD22  LEU  12          HD22      LEU  12  64.053   3.604 113.933
 1794   HD23  LEU  12          HD23      LEU  12  64.365   3.513 115.660
 1795    H    LYS  13           HN       LYS  13  62.208   4.199 117.686
 1796    HA   LYS  13           HA       LYS  13  59.490   4.722 116.675
 1797    HB2  LYS  13           HB2      LYS  13  60.416   5.154 119.523
 1798    HB3  LYS  13           HB1      LYS  13  59.049   6.020 118.836
 1799    HG2  LYS  13           HG2      LYS  13  57.800   4.253 119.585
 1800    HG3  LYS  13           HG1      LYS  13  58.399   3.421 118.158
 1801    HD2  LYS  13           HD2      LYS  13  60.459   2.868 119.798
 1802    HD3  LYS  13           HD1      LYS  13  59.219   3.109 121.029
 1803    HE2  LYS  13           HE2      LYS  13  59.082   0.805 120.534
 1804    HE3  LYS  13           HE1      LYS  13  57.776   1.509 119.578
 1805    HZ1  LYS  13           HZ1      LYS  13  58.847   1.105 117.656
 1806    HZ2  LYS  13           HZ2      LYS  13  59.649  -0.084 118.563
 1807    HZ3  LYS  13           HZ3      LYS  13  60.378   1.426 118.301
 1808    H    GLY  14           HN       GLY  14  59.187   6.656 115.836
 1809    HA2  GLY  14           HA2      GLY  14  60.376   9.073 116.447
 1810    HA3  GLY  14           HA1      GLY  14  61.413   8.323 115.231
 1811    H    GLU  15           HN       GLU  15  60.803  10.001 113.667
 1812    HA   GLU  15           HA       GLU  15  58.142   9.516 112.452
 1813    HB2  GLU  15           HB2      GLU  15  59.568  12.179 112.403
 1814    HB3  GLU  15           HB1      GLU  15  57.945  11.805 111.829
 1815    HG2  GLU  15           HG2      GLU  15  58.793  11.486 114.698
 1816    HG3  GLU  15           HG1      GLU  15  58.069  12.957 114.064
 1817    H    THR  16           HN       THR  16  58.109   9.899 110.126
 1818    HA   THR  16           HA       THR  16  60.700  10.124 108.788
 1819    HB   THR  16           HB       THR  16  59.505   7.964 107.444
 1820    HG1  THR  16           HG1      THR  16  58.167   7.495 109.125
 1821   HG21  THR  16          HG21      THR  16  61.697   7.976 109.516
 1822   HG22  THR  16          HG22      THR  16  61.891   8.252 107.785
 1823   HG23  THR  16          HG23      THR  16  61.384   6.669 108.375
 1824    H    THR  17           HN       THR  17  60.530  10.758 106.621
 1825    HA   THR  17           HA       THR  17  57.834  11.155 105.548
 1826    HB   THR  17           HB       THR  17  59.677  13.530 105.561
 1827    HG1  THR  17           HG1      THR  17  57.942  12.645 107.611
 1828   HG21  THR  17          HG21      THR  17  57.686  14.739 105.165
 1829   HG22  THR  17          HG22      THR  17  56.667  13.417 105.716
 1830   HG23  THR  17          HG23      THR  17  57.514  13.299 104.174
 1831    H    THR  18           HN       THR  18  57.794  11.804 103.324
 1832    HA   THR  18           HA       THR  18  60.250  11.687 101.800
 1833    HB   THR  18           HB       THR  18  59.462   9.276 102.203
 1834    HG1  THR  18           HG1      THR  18  59.555   8.989  99.746
 1835   HG21  THR  18          HG21      THR  18  57.418   9.969 100.099
 1836   HG22  THR  18          HG22      THR  18  57.011   9.981 101.812
 1837   HG23  THR  18          HG23      THR  18  57.556   8.490 101.044
 1838    H    GLU  19           HN       GLU  19  59.963  12.414  99.662
 1839    HA   GLU  19           HA       GLU  19  57.478  13.957  99.187
 1840    HB2  GLU  19           HB2      GLU  19  59.653  15.196  99.261
 1841    HB3  GLU  19           HB1      GLU  19  60.226  14.209  97.922
 1842    HG2  GLU  19           HG2      GLU  19  59.452  16.126  96.821
 1843    HG3  GLU  19           HG1      GLU  19  58.065  15.054  96.694
 1844    H    ALA  20           HN       ALA  20  56.085  12.946  97.838
 1845    HA   ALA  20           HA       ALA  20  57.093  11.743  95.366
 1846    HB1  ALA  20           HB1      ALA  20  56.432  10.145  97.634
 1847    HB2  ALA  20           HB2      ALA  20  56.824   9.588  96.013
 1848    HB3  ALA  20           HB3      ALA  20  55.145   9.895  96.456
 1849    H    VAL  21           HN       VAL  21  55.375  11.201  93.863
 1850    HA   VAL  21           HA       VAL  21  53.286  13.203  93.875
 1851    HB   VAL  21           HB       VAL  21  54.167  12.888  91.726
 1852   HG11  VAL  21          HG11      VAL  21  54.231   9.947  92.435
 1853   HG12  VAL  21          HG12      VAL  21  55.596  11.010  92.113
 1854   HG13  VAL  21          HG13      VAL  21  54.517  10.538  90.803
 1855   HG21  VAL  21          HG21      VAL  21  52.414  12.000  90.402
 1856   HG22  VAL  21          HG22      VAL  21  51.608  12.481  91.895
 1857   HG23  VAL  21          HG23      VAL  21  51.995  10.785  91.610
 1858    H    ASP  22           HN       ASP  22  53.650   9.701  94.086
 1859    HA   ASP  22           HA       ASP  22  50.752   9.457  94.706
 1860    HB2  ASP  22           HB2      ASP  22  51.558   8.206  92.729
 1861    HB3  ASP  22           HB1      ASP  22  52.654   7.311  93.778
 1862    H    ALA  23           HN       ALA  23  50.068   8.003  96.275
 1863    HA   ALA  23           HA       ALA  23  51.637   8.037  98.680
 1864    HB1  ALA  23           HB1      ALA  23  49.292   8.284  98.957
 1865    HB2  ALA  23           HB2      ALA  23  49.661   6.663  99.543
 1866    HB3  ALA  23           HB3      ALA  23  48.948   6.880  97.946
 1867    H    ALA  24           HN       ALA  24  50.476   5.502  96.469
 1868    HA   ALA  24           HA       ALA  24  51.553   3.291  97.831
 1869    HB1  ALA  24           HB1      ALA  24  49.925   3.241  95.870
 1870    HB2  ALA  24           HB2      ALA  24  51.224   2.049  95.811
 1871    HB3  ALA  24           HB3      ALA  24  51.319   3.505  94.821
 1872    H    THR  25           HN       THR  25  53.147   5.542  95.424
 1873    HA   THR  25           HA       THR  25  55.532   3.984  95.209
 1874    HB   THR  25           HB       THR  25  54.566   5.970  93.697
 1875    HG1  THR  25           HG1      THR  25  56.939   6.243  93.127
 1876   HG21  THR  25          HG21      THR  25  56.786   7.474  95.065
 1877   HG22  THR  25          HG22      THR  25  55.144   7.611  95.693
 1878   HG23  THR  25          HG23      THR  25  55.497   8.097  94.035
 1879    H    ALA  26           HN       ALA  26  54.384   6.420  97.453
 1880    HA   ALA  26           HA       ALA  26  56.905   7.090  98.593
 1881    HB1  ALA  26           HB1      ALA  26  55.225   8.674  99.003
 1882    HB2  ALA  26           HB2      ALA  26  55.360   7.849 100.554
 1883    HB3  ALA  26           HB3      ALA  26  54.042   7.447  99.455
 1884    H    GLU  27           HN       GLU  27  54.508   4.664  99.233
 1885    HA   GLU  27           HA       GLU  27  55.541   3.740 101.707
 1886    HB2  GLU  27           HB2      GLU  27  53.704   2.395 101.703
 1887    HB3  GLU  27           HB1      GLU  27  53.239   3.284 100.259
 1888    HG2  GLU  27           HG2      GLU  27  54.431   1.573  98.878
 1889    HG3  GLU  27           HG1      GLU  27  54.753   0.661 100.335
 1890    H    LYS  28           HN       LYS  28  56.302   3.015  98.374
 1891    HA   LYS  28           HA       LYS  28  57.610   0.571  98.644
 1892    HB2  LYS  28           HB2      LYS  28  58.266   2.974  96.920
 1893    HB3  LYS  28           HB1      LYS  28  59.049   1.406  96.741
 1894    HG2  LYS  28           HG2      LYS  28  56.796   0.380  96.431
 1895    HG3  LYS  28           HG1      LYS  28  56.095   1.997  96.451
 1896    HD2  LYS  28           HD2      LYS  28  57.618   2.582  94.514
 1897    HD3  LYS  28           HD1      LYS  28  58.090   0.884  94.446
 1898    HE2  LYS  28           HE2      LYS  28  55.875   0.176  93.867
 1899    HE3  LYS  28           HE1      LYS  28  55.176   1.724  94.322
 1900    HZ1  LYS  28           HZ1      LYS  28  56.555   2.712  92.356
 1901    HZ2  LYS  28           HZ2      LYS  28  55.228   1.748  91.914
 1902    HZ3  LYS  28           HZ3      LYS  28  56.800   1.111  91.842
 1903    H    VAL  29           HN       VAL  29  58.766   3.866  99.229
 1904    HA   VAL  29           HA       VAL  29  61.423   3.078  99.928
 1905    HB   VAL  29           HB       VAL  29  60.000   5.602 100.783
 1906   HG11  VAL  29          HG11      VAL  29  62.258   5.044 101.752
 1907   HG12  VAL  29          HG12      VAL  29  62.236   6.533 100.807
 1908   HG13  VAL  29          HG13      VAL  29  62.906   5.057 100.113
 1909   HG21  VAL  29          HG21      VAL  29  61.308   4.870  98.149
 1910   HG22  VAL  29          HG22      VAL  29  60.991   6.534  98.641
 1911   HG23  VAL  29          HG23      VAL  29  59.650   5.413  98.406
 1912    H    PHE  30           HN       PHE  30  58.616   4.118 101.871
 1913    HA   PHE  30           HA       PHE  30  59.769   3.753 104.391
 1914    HB2  PHE  30           HB2      PHE  30  56.875   3.624 103.597
 1915    HB3  PHE  30           HB1      PHE  30  57.453   3.710 105.248
 1916    HD1  PHE  30           HD1      PHE  30  59.526   5.725 105.321
 1917    HD2  PHE  30           HD2      PHE  30  55.940   5.653 102.941
 1918    HE1  PHE  30           HE1      PHE  30  59.576   8.186 105.150
 1919    HE2  PHE  30           HE2      PHE  30  56.000   8.114 102.792
 1920    HZ   PHE  30           HZ       PHE  30  57.814   9.381 103.901
 1921    H    LYS  31           HN       LYS  31  57.762   1.473 102.486
 1922    HA   LYS  31           HA       LYS  31  57.745  -0.442 104.610
 1923    HB2  LYS  31           HB2      LYS  31  56.770  -0.315 101.818
 1924    HB3  LYS  31           HB1      LYS  31  57.065  -1.918 102.439
 1925    HG2  LYS  31           HG2      LYS  31  55.486  -1.670 104.170
 1926    HG3  LYS  31           HG1      LYS  31  55.498   0.075 104.051
 1927    HD2  LYS  31           HD2      LYS  31  53.972   0.126 102.361
 1928    HD3  LYS  31           HD1      LYS  31  54.683  -1.260 101.546
 1929    HE2  LYS  31           HE2      LYS  31  53.392  -2.208 103.942
 1930    HE3  LYS  31           HE1      LYS  31  52.271  -1.187 103.050
 1931    HZ1  LYS  31           HZ1      LYS  31  53.871  -2.973 101.433
 1932    HZ2  LYS  31           HZ2      LYS  31  52.225  -2.569 101.318
 1933    HZ3  LYS  31           HZ3      LYS  31  52.741  -3.730 102.448
 1934    H    GLN  32           HN       GLN  32  59.760   0.065 101.769
 1935    HA   GLN  32           HA       GLN  32  61.254  -2.366 102.113
 1936    HB2  GLN  32           HB2      GLN  32  61.043  -1.069  99.962
 1937    HB3  GLN  32           HB1      GLN  32  62.086   0.160 100.680
 1938    HG2  GLN  32           HG2      GLN  32  63.790  -1.650 101.105
 1939    HG3  GLN  32           HG1      GLN  32  62.776  -2.743 100.166
 1940   HE21  GLN  32          HE21      GLN  32  65.469  -0.724  99.861
 1941   HE22  GLN  32          HE22      GLN  32  65.352  -0.368  98.206
 1942    H    TYR  33           HN       TYR  33  61.420   0.942 103.188
 1943    HA   TYR  33           HA       TYR  33  64.041   0.947 104.248
 1944    HB2  TYR  33           HB2      TYR  33  63.020   3.022 103.782
 1945    HB3  TYR  33           HB1      TYR  33  61.559   2.566 104.651
 1946    HD1  TYR  33           HD2      TYR  33  65.107   3.491 105.016
 1947    HD2  TYR  33           HD1      TYR  33  61.371   2.810 107.025
 1948    HE1  TYR  33           HE2      TYR  33  66.033   4.506 107.077
 1949    HE2  TYR  33           HE1      TYR  33  62.298   3.830 109.089
 1950    HH   TYR  33           HH       TYR  33  64.034   4.880 110.001
 1951    H    ALA  34           HN       ALA  34  60.874   0.100 105.544
 1952    HA   ALA  34           HA       ALA  34  61.497   0.034 108.274
 1953    HB1  ALA  34           HB1      ALA  34  59.480  -1.384 106.559
 1954    HB2  ALA  34           HB2      ALA  34  59.214  -0.186 107.825
 1955    HB3  ALA  34           HB3      ALA  34  59.652  -1.839 108.253
 1956    H    ASN  35           HN       ASN  35  62.055  -2.431 105.694
 1957    HA   ASN  35           HA       ASN  35  62.816  -4.533 107.392
 1958    HB2  ASN  35           HB2      ASN  35  62.398  -4.377 104.772
 1959    HB3  ASN  35           HB1      ASN  35  64.142  -4.129 104.728
 1960   HD21  ASN  35          HD21      ASN  35  65.327  -6.121 104.565
 1961   HD22  ASN  35          HD22      ASN  35  64.765  -7.612 105.150
 1962    H    ASP  36           HN       ASP  36  64.671  -1.914 105.838
 1963    HA   ASP  36           HA       ASP  36  67.214  -2.665 106.848
 1964    HB2  ASP  36           HB2      ASP  36  66.475   0.179 106.196
 1965    HB3  ASP  36           HB1      ASP  36  67.987  -0.678 105.888
 1966    H    ASN  37           HN       ASN  37  64.509  -1.010 108.253
 1967    HA   ASN  37           HA       ASN  37  66.122   0.186 110.378
 1968    HB2  ASN  37           HB2      ASN  37  63.570   0.655 109.102
 1969    HB3  ASN  37           HB1      ASN  37  63.339   0.547 110.835
 1970   HD21  ASN  37          HD21      ASN  37  62.952   2.844 111.081
 1971   HD22  ASN  37          HD22      ASN  37  64.192   3.984 110.874
 1972    H    GLY  38           HN       GLY  38  64.029  -2.608 109.890
 1973    HA2  GLY  38           HA2      GLY  38  64.284  -4.517 111.328
 1974    HA3  GLY  38           HA1      GLY  38  64.576  -3.433 112.678
 1975    H    VAL  39           HN       VAL  39  62.280  -1.669 112.080
 1976    HA   VAL  39           HA       VAL  39  60.269  -3.280 113.403
 1977    HB   VAL  39           HB       VAL  39  60.456  -1.070 114.239
 1978   HG11  VAL  39          HG11      VAL  39  61.576  -0.139 112.188
 1979   HG12  VAL  39          HG12      VAL  39  60.378   0.927 112.900
 1980   HG13  VAL  39          HG13      VAL  39  59.988   0.005 111.453
 1981   HG21  VAL  39          HG21      VAL  39  58.105  -1.868 113.913
 1982   HG22  VAL  39          HG22      VAL  39  58.057  -1.000 112.386
 1983   HG23  VAL  39          HG23      VAL  39  58.249  -0.114 113.891
 1984    H    ASP  40           HN       ASP  40  59.133  -4.663 112.244
 1985    HA   ASP  40           HA       ASP  40  57.814  -3.726 109.754
 1986    HB2  ASP  40           HB2      ASP  40  59.754  -5.437 109.490
 1987    HB3  ASP  40           HB1      ASP  40  58.638  -6.597 110.203
 1988    H    GLY  41           HN       GLY  41  55.631  -3.515 110.330
 1989    HA2  GLY  41           HA2      GLY  41  54.387  -5.845 111.661
 1990    HA3  GLY  41           HA1      GLY  41  54.193  -4.262 112.395
 1991    H    GLU  42           HN       GLU  42  51.854  -4.354 112.111
 1992    HA   GLU  42           HA       GLU  42  50.766  -4.723 109.516
 1993    HB2  GLU  42           HB2      GLU  42  49.240  -3.377 111.721
 1994    HB3  GLU  42           HB1      GLU  42  48.684  -4.542 110.523
 1995    HG2  GLU  42           HG2      GLU  42  50.431  -5.103 112.932
 1996    HG3  GLU  42           HG1      GLU  42  48.783  -5.665 112.660
 1997    H    TRP  43           HN       TRP  43  50.185  -3.232 108.074
 1998    HA   TRP  43           HA       TRP  43  51.140  -0.484 108.524
 1999    HB2  TRP  43           HB2      TRP  43  50.743  -2.159 106.049
 2000    HB3  TRP  43           HB1      TRP  43  51.113  -0.434 106.002
 2001    HD1  TRP  43           HD1      TRP  43  52.677  -3.797 107.124
 2002    HE1  TRP  43           HE1      TRP  43  55.211  -3.432 107.431
 2003    HE3  TRP  43           HE3      TRP  43  52.906   1.205 106.335
 2004    HZ2  TRP  43           HZ2      TRP  43  57.096  -1.278 107.303
 2005    HZ3  TRP  43           HZ3      TRP  43  55.058   2.387 106.411
 2006    HH2  TRP  43           HH2      TRP  43  57.158   1.166 106.890
 2007    H    THR  44           HN       THR  44  50.095   1.189 107.515
 2008    HA   THR  44           HA       THR  44  47.327   0.974 106.701
 2009    HB   THR  44           HB       THR  44  47.006   1.007 109.109
 2010    HG1  THR  44           HG1      THR  44  46.433   3.191 107.544
 2011   HG21  THR  44          HG21      THR  44  49.101   3.179 108.993
 2012   HG22  THR  44          HG22      THR  44  49.011   1.770 110.050
 2013   HG23  THR  44          HG23      THR  44  47.928   3.134 110.308
 2014    H    TYR  45           HN       TYR  45  46.550   3.149 105.909
 2015    HA   TYR  45           HA       TYR  45  48.597   5.213 105.723
 2016    HB2  TYR  45           HB2      TYR  45  49.195   3.945 103.777
 2017    HB3  TYR  45           HB1      TYR  45  47.510   3.802 103.283
 2018    HD1  TYR  45           HD2      TYR  45  49.791   6.612 104.355
 2019    HD2  TYR  45           HD1      TYR  45  46.921   5.190 101.489
 2020    HE1  TYR  45           HE2      TYR  45  49.962   8.746 103.127
 2021    HE2  TYR  45           HE1      TYR  45  47.094   7.336 100.259
 2022    HH   TYR  45           HH       TYR  45  47.945   9.392 100.264
 2023    H    ASP  46           HN       ASP  46  47.653   7.062 106.108
 2024    HA   ASP  46           HA       ASP  46  44.785   7.349 105.487
 2025    HB2  ASP  46           HB2      ASP  46  45.397   7.965 107.791
 2026    HB3  ASP  46           HB1      ASP  46  46.611   9.102 107.175
 2027    H    ASP  47           HN       ASP  47  44.440   8.153 103.421
 2028    HA   ASP  47           HA       ASP  47  46.499   9.716 102.097
 2029    HB2  ASP  47           HB2      ASP  47  44.960   7.934 101.023
 2030    HB3  ASP  47           HB1      ASP  47  43.732   9.197 101.019
 2031    H    ALA  48           HN       ALA  48  43.950  10.345 104.164
 2032    HA   ALA  48           HA       ALA  48  43.121  12.879 103.051
 2033    HB1  ALA  48           HB1      ALA  48  42.068  13.068 105.412
 2034    HB2  ALA  48           HB2      ALA  48  42.593  11.397 105.617
 2035    HB3  ALA  48           HB3      ALA  48  41.461  11.813 104.332
 2036    H    THR  49           HN       THR  49  45.631  11.747 105.254
 2037    HA   THR  49           HA       THR  49  46.517  14.539 105.689
 2038    HB   THR  49           HB       THR  49  47.492  13.504 107.918
 2039    HG1  THR  49           HG1      THR  49  45.191  11.943 107.842
 2040   HG21  THR  49          HG21      THR  49  45.419  14.098 109.115
 2041   HG22  THR  49          HG22      THR  49  44.541  14.083 107.586
 2042   HG23  THR  49          HG23      THR  49  45.807  15.278 107.865
 2043    H    LYS  50           HN       LYS  50  47.163  11.976 103.911
 2044    HA   LYS  50           HA       LYS  50  49.054  10.882 103.158
 2045    HB2  LYS  50           HB2      LYS  50  50.518  13.455 103.732
 2046    HB3  LYS  50           HB1      LYS  50  50.722  12.347 102.378
 2047    HG2  LYS  50           HG2      LYS  50  48.246  14.043 102.852
 2048    HG3  LYS  50           HG1      LYS  50  49.545  14.452 101.737
 2049    HD2  LYS  50           HD2      LYS  50  49.138  12.317 100.518
 2050    HD3  LYS  50           HD1      LYS  50  47.778  11.991 101.591
 2051    HE2  LYS  50           HE2      LYS  50  46.523  13.803 100.758
 2052    HE3  LYS  50           HE1      LYS  50  47.936  14.570 100.034
 2053    HZ1  LYS  50           HZ1      LYS  50  47.915  12.174  98.826
 2054    HZ2  LYS  50           HZ2      LYS  50  47.222  13.583  98.177
 2055    HZ3  LYS  50           HZ3      LYS  50  46.254  12.461  99.008
 2056    H    THR  51           HN       THR  51  48.653  10.048 105.676
 2057    HA   THR  51           HA       THR  51  51.371  10.103 106.887
 2058    HB   THR  51           HB       THR  51  48.711  10.201 108.343
 2059    HG1  THR  51           HG1      THR  51  49.539  12.141 109.085
 2060   HG21  THR  51          HG21      THR  51  50.298  10.286 110.387
 2061   HG22  THR  51          HG22      THR  51  51.517   9.607 109.307
 2062   HG23  THR  51          HG23      THR  51  50.035   8.710 109.638
 2063    H    PHE  52           HN       PHE  52  52.319   8.113 107.110
 2064    HA   PHE  52           HA       PHE  52  50.627   5.690 106.922
 2065    HB2  PHE  52           HB2      PHE  52  53.549   6.250 106.400
 2066    HB3  PHE  52           HB1      PHE  52  52.883   4.619 106.468
 2067    HD1  PHE  52           HD2      PHE  52  52.719   7.875 104.651
 2068    HD2  PHE  52           HD1      PHE  52  51.675   3.705 104.664
 2069    HE1  PHE  52           HE2      PHE  52  52.106   7.999 102.242
 2070    HE2  PHE  52           HE1      PHE  52  51.082   3.844 102.264
 2071    HZ   PHE  52           HZ       PHE  52  51.301   5.990 101.057
 2072    H    THR  53           HN       THR  53  51.203   3.903 108.431
 2073    HA   THR  53           HA       THR  53  53.047   4.536 110.591
 2074    HB   THR  53           HB       THR  53  51.526   4.293 112.430
 2075    HG1  THR  53           HG1      THR  53  49.261   4.065 111.965
 2076   HG21  THR  53          HG21      THR  53  51.633   6.567 111.402
 2077   HG22  THR  53          HG22      THR  53  50.117   6.258 112.228
 2078   HG23  THR  53          HG23      THR  53  50.196   6.181 110.468
 2079    H    VAL  54           HN       VAL  54  54.131   2.613 111.193
 2080    HA   VAL  54           HA       VAL  54  52.798   0.057 110.440
 2081    HB   VAL  54           HB       VAL  54  54.848   0.478 109.153
 2082   HG11  VAL  54          HG11      VAL  54  56.322   0.398 111.791
 2083   HG12  VAL  54          HG12      VAL  54  55.886   1.902 110.987
 2084   HG13  VAL  54          HG13      VAL  54  56.980   0.766 110.198
 2085   HG21  VAL  54          HG21      VAL  54  55.950  -1.648 109.624
 2086   HG22  VAL  54          HG22      VAL  54  54.215  -1.852 109.867
 2087   HG23  VAL  54          HG23      VAL  54  55.284  -1.673 111.258
 2088    H    THR  55           HN       THR  55  52.210  -1.242 112.084
 2089    HA   THR  55           HA       THR  55  53.541  -0.932 114.720
 2090    HB   THR  55           HB       THR  55  51.115  -0.001 114.403
 2091    HG1  THR  55           HG1      THR  55  51.404  -0.011 116.457
 2092   HG21  THR  55          HG21      THR  55  50.428  -2.891 114.979
 2093   HG22  THR  55          HG22      THR  55  50.345  -2.208 113.358
 2094   HG23  THR  55          HG23      THR  55  49.325  -1.557 114.637
 2095    H    GLU  56           HN       GLU  56  54.556  -2.751 115.416
 2096    HA   GLU  56           HA       GLU  56  53.623  -5.372 114.383
 2097    HB2  GLU  56           HB2      GLU  56  56.026  -6.004 115.341
 2098    HB3  GLU  56           HB1      GLU  56  55.850  -5.272 113.746
 2099    HG2  GLU  56           HG2      GLU  56  56.276  -3.053 114.682
 2100    HG3  GLU  56           HG1      GLU  56  56.398  -3.741 116.301
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  52.093  -1.873  99.717
    2    H2   MET   1           HT2      MET   1  53.469  -0.971 100.133
    3    H3   MET   1           HT3      MET   1  53.547  -2.665 100.086
    4    HA   MET   1           HA       MET   1  52.946  -0.995  97.732
    5    HB2  MET   1           HB2      MET   1  55.155  -0.501  97.574
    6    HB3  MET   1           HB1      MET   1  55.377  -1.196  99.159
    7    HG2  MET   1           HG2      MET   1  55.590  -3.478  97.942
    8    HG3  MET   1           HG1      MET   1  55.748  -2.524  96.468
    9    HE1  MET   1           HE1      MET   1  57.406  -1.485 100.159
   10    HE2  MET   1           HE2      MET   1  58.376  -2.932 100.078
   11    HE3  MET   1           HE3      MET   1  56.624  -3.052  99.954
   12    H    GLN   2           HN       GLN   2  53.790  -2.484  95.797
   13    HA   GLN   2           HA       GLN   2  52.718  -5.210  96.270
   14    HB2  GLN   2           HB2      GLN   2  52.228  -3.319  93.960
   15    HB3  GLN   2           HB1      GLN   2  51.830  -5.036  93.918
   16    HG2  GLN   2           HG2      GLN   2  50.308  -4.786  95.795
   17    HG3  GLN   2           HG1      GLN   2  50.791  -3.103  96.009
   18   HE21  GLN   2          HE21      GLN   2  50.828  -2.948  92.789
   19   HE22  GLN   2          HE22      GLN   2  49.186  -2.724  92.422
   20    H    TYR   3           HN       TYR   3  53.719  -6.858  95.315
   21    HA   TYR   3           HA       TYR   3  56.158  -6.303  93.725
   22    HB2  TYR   3           HB2      TYR   3  55.524  -8.756  95.368
   23    HB3  TYR   3           HB1      TYR   3  57.034  -8.378  94.542
   24    HD1  TYR   3           HD1      TYR   3  58.486  -6.534  95.344
   25    HD2  TYR   3           HD2      TYR   3  54.918  -7.711  97.426
   26    HE1  TYR   3           HE1      TYR   3  59.241  -5.295  97.356
   27    HE2  TYR   3           HE2      TYR   3  55.677  -6.464  99.426
   28    HH   TYR   3           HH       TYR   3  57.329  -5.340 100.358
   29    H    LYS   4           HN       LYS   4  56.398  -7.473  91.856
   30    HA   LYS   4           HA       LYS   4  54.028  -9.068  91.019
   31    HB2  LYS   4           HB2      LYS   4  54.111  -6.972  89.812
   32    HB3  LYS   4           HB1      LYS   4  55.811  -7.210  89.428
   33    HG2  LYS   4           HG2      LYS   4  55.263  -9.143  88.024
   34    HG3  LYS   4           HG1      LYS   4  53.563  -9.020  88.473
   35    HD2  LYS   4           HD2      LYS   4  54.808  -6.537  87.334
   36    HD3  LYS   4           HD1      LYS   4  54.587  -7.878  86.213
   37    HE2  LYS   4           HE2      LYS   4  52.293  -7.095  87.987
   38    HE3  LYS   4           HE1      LYS   4  52.649  -6.117  86.562
   39    HZ1  LYS   4           HZ1      LYS   4  51.600  -8.805  86.740
   40    HZ2  LYS   4           HZ2      LYS   4  52.815  -8.596  85.570
   41    HZ3  LYS   4           HZ3      LYS   4  51.410  -7.642  85.520
   42    H    LEU   5           HN       LEU   5  54.430 -11.150  90.548
   43    HA   LEU   5           HA       LEU   5  57.215 -11.946  89.965
   44    HB2  LEU   5           HB2      LEU   5  56.324 -13.037  91.949
   45    HB3  LEU   5           HB1      LEU   5  54.905 -13.545  91.074
   46    HG   LEU   5           HG       LEU   5  56.842 -15.253  91.541
   47   HD11  LEU   5          HD11      LEU   5  55.623 -15.128  88.786
   48   HD12  LEU   5          HD12      LEU   5  54.833 -15.746  90.232
   49   HD13  LEU   5          HD13      LEU   5  56.261 -16.552  89.597
   50   HD21  LEU   5          HD21      LEU   5  58.565 -13.710  90.391
   51   HD22  LEU   5          HD22      LEU   5  57.895 -14.324  88.893
   52   HD23  LEU   5          HD23      LEU   5  58.615 -15.425  90.044
   53    H    ILE   6           HN       ILE   6  57.675 -12.657  88.000
   54    HA   ILE   6           HA       ILE   6  55.497 -12.960  86.034
   55    HB   ILE   6           HB       ILE   6  58.483 -12.965  85.531
   56   HG12  ILE   6          HG12      ILE   6  57.791 -10.873  86.701
   57   HG13  ILE   6          HG11      ILE   6  58.347 -10.584  85.058
   58   HG21  ILE   6          HG21      ILE   6  57.127 -13.884  83.749
   59   HG22  ILE   6          HG22      ILE   6  57.745 -12.307  83.253
   60   HG23  ILE   6          HG23      ILE   6  56.069 -12.473  83.778
   61   HD11  ILE   6          HD11      ILE   6  55.918 -10.579  84.352
   62   HD12  ILE   6          HD12      ILE   6  56.379  -9.258  85.419
   63   HD13  ILE   6          HD13      ILE   6  55.495 -10.639  86.061
   64    H    LEU   7           HN       LEU   7  55.015 -14.890  85.208
   65    HA   LEU   7           HA       LEU   7  56.400 -17.231  86.294
   66    HB2  LEU   7           HB2      LEU   7  53.972 -16.883  84.557
   67    HB3  LEU   7           HB1      LEU   7  54.632 -18.451  84.926
   68    HG   LEU   7           HG       LEU   7  54.383 -17.293  87.458
   69   HD11  LEU   7          HD11      LEU   7  51.775 -16.697  87.256
   70   HD12  LEU   7          HD12      LEU   7  52.268 -16.164  85.657
   71   HD13  LEU   7          HD13      LEU   7  53.022 -15.474  87.070
   72   HD21  LEU   7          HD21      LEU   7  53.754 -19.603  86.704
   73   HD22  LEU   7          HD22      LEU   7  52.263 -18.921  86.057
   74   HD23  LEU   7          HD23      LEU   7  52.579 -18.860  87.786
   75    H    ASN   8           HN       ASN   8  58.163 -17.905  85.241
   76    HA   ASN   8           HA       ASN   8  58.042 -18.184  82.318
   77    HB2  ASN   8           HB2      ASN   8  60.628 -17.663  82.516
   78    HB3  ASN   8           HB1      ASN   8  59.463 -16.355  82.339
   79   HD21  ASN   8          HD21      ASN   8  62.186 -16.950  83.973
   80   HD22  ASN   8          HD22      ASN   8  61.852 -16.180  85.448
   81    H    GLY   9           HN       GLY   9  57.518 -20.364  82.766
   82    HA2  GLY   9           HA2      GLY   9  59.777 -21.976  83.830
   83    HA3  GLY   9           HA1      GLY   9  58.101 -22.359  84.195
   84    H    LYS  10           HN       LYS  10  58.445 -24.458  83.277
   85    HA   LYS  10           HA       LYS  10  59.274 -24.806  80.595
   86    HB2  LYS  10           HB2      LYS  10  57.424 -26.752  81.979
   87    HB3  LYS  10           HB1      LYS  10  58.741 -27.081  80.851
   88    HG2  LYS  10           HG2      LYS  10  60.154 -25.846  82.833
   89    HG3  LYS  10           HG1      LYS  10  58.854 -26.544  83.795
   90    HD2  LYS  10           HD2      LYS  10  59.359 -28.769  82.827
   91    HD3  LYS  10           HD1      LYS  10  60.685 -28.052  81.910
   92    HE2  LYS  10           HE2      LYS  10  61.830 -27.417  83.953
   93    HE3  LYS  10           HE1      LYS  10  60.460 -27.943  84.930
   94    HZ1  LYS  10           HZ1      LYS  10  62.440 -29.553  83.484
   95    HZ2  LYS  10           HZ2      LYS  10  60.874 -30.179  83.692
   96    HZ3  LYS  10           HZ3      LYS  10  61.813 -29.763  85.045
   97    H    THR  11           HN       THR  11  55.890 -24.838  81.957
   98    HA   THR  11           HA       THR  11  55.088 -23.550  79.500
   99    HB   THR  11           HB       THR  11  53.024 -25.335  80.568
  100    HG1  THR  11           HG1      THR  11  54.380 -26.945  80.829
  101   HG21  THR  11          HG21      THR  11  54.412 -24.933  77.933
  102   HG22  THR  11          HG22      THR  11  52.996 -24.044  78.502
  103   HG23  THR  11          HG23      THR  11  52.895 -25.764  78.170
  104    H    LEU  12           HN       LEU  12  55.339 -23.338  82.796
  105    HA   LEU  12           HA       LEU  12  52.736 -22.067  83.031
  106    HB2  LEU  12           HB2      LEU  12  54.715 -23.018  84.906
  107    HB3  LEU  12           HB1      LEU  12  54.373 -21.330  85.269
  108    HG   LEU  12           HG       LEU  12  52.446 -23.574  85.070
  109   HD11  LEU  12          HD11      LEU  12  53.276 -21.807  87.309
  110   HD12  LEU  12          HD12      LEU  12  53.421 -23.566  87.190
  111   HD13  LEU  12          HD13      LEU  12  51.840 -22.822  87.371
  112   HD21  LEU  12          HD21      LEU  12  50.917 -22.036  84.386
  113   HD22  LEU  12          HD22      LEU  12  51.984 -20.732  84.700
  114   HD23  LEU  12          HD23      LEU  12  50.984 -21.390  85.983
  115    H    LYS  13           HN       LYS  13  52.420 -20.139  82.057
  116    HA   LYS  13           HA       LYS  13  54.381 -18.008  82.614
  117    HB2  LYS  13           HB2      LYS  13  53.436 -18.744  79.845
  118    HB3  LYS  13           HB1      LYS  13  54.183 -17.200  80.230
  119    HG2  LYS  13           HG2      LYS  13  56.163 -18.208  79.777
  120    HG3  LYS  13           HG1      LYS  13  55.989 -18.998  81.337
  121    HD2  LYS  13           HD2      LYS  13  54.552 -20.746  79.919
  122    HD3  LYS  13           HD1      LYS  13  55.499 -20.093  78.580
  123    HE2  LYS  13           HE2      LYS  13  56.780 -21.910  79.379
  124    HE3  LYS  13           HE1      LYS  13  57.552 -20.497  80.098
  125    HZ1  LYS  13           HZ1      LYS  13  55.372 -21.562  81.640
  126    HZ2  LYS  13           HZ2      LYS  13  56.921 -21.097  82.141
  127    HZ3  LYS  13           HZ3      LYS  13  56.667 -22.639  81.478
  128    H    GLY  14           HN       GLY  14  53.530 -16.150  83.103
  129    HA2  GLY  14           HA2      GLY  14  51.392 -14.763  82.018
  130    HA3  GLY  14           HA1      GLY  14  50.759 -15.667  83.391
  131    H    GLU  15           HN       GLU  15  50.397 -13.607  84.621
  132    HA   GLU  15           HA       GLU  15  52.985 -12.676  85.782
  133    HB2  GLU  15           HB2      GLU  15  50.535 -10.938  85.724
  134    HB3  GLU  15           HB1      GLU  15  52.184 -10.499  86.123
  135    HG2  GLU  15           HG2      GLU  15  51.437 -11.535  83.402
  136    HG3  GLU  15           HG1      GLU  15  51.331  -9.830  83.816
  137    H    THR  16           HN       THR  16  52.835 -11.964  88.037
  138    HA   THR  16           HA       THR  16  50.479 -12.878  89.529
  139    HB   THR  16           HB       THR  16  52.686 -13.802  91.062
  140    HG1  THR  16           HG1      THR  16  52.944 -14.173  88.324
  141   HG21  THR  16          HG21      THR  16  50.667 -15.316  89.406
  142   HG22  THR  16          HG22      THR  16  50.458 -14.781  91.074
  143   HG23  THR  16          HG23      THR  16  51.663 -16.009  90.685
  144    H    THR  17           HN       THR  17  50.151 -11.730  91.456
  145    HA   THR  17           HA       THR  17  52.284  -9.916  92.332
  146    HB   THR  17           HB       THR  17  49.570  -8.715  91.873
  147    HG1  THR  17           HG1      THR  17  50.587  -7.970  89.854
  148   HG21  THR  17          HG21      THR  17  51.510  -7.625  93.203
  149   HG22  THR  17          HG22      THR  17  50.747  -6.666  91.949
  150   HG23  THR  17          HG23      THR  17  52.296  -7.442  91.640
  151    H    THR  18           HN       THR  18  51.912  -8.864  94.340
  152    HA   THR  18           HA       THR  18  49.700  -9.666  96.006
  153    HB   THR  18           HB       THR  18  51.404 -11.570  96.093
  154    HG1  THR  18           HG1      THR  18  51.060 -10.269  98.569
  155   HG21  THR  18          HG21      THR  18  53.466 -11.251  97.150
  156   HG22  THR  18          HG22      THR  18  52.964  -9.731  97.886
  157   HG23  THR  18          HG23      THR  18  53.325  -9.796  96.161
  158    H    GLU  19           HN       GLU  19  49.640  -8.444  97.978
  159    HA   GLU  19           HA       GLU  19  51.159  -5.901  97.856
  160    HB2  GLU  19           HB2      GLU  19  48.627  -5.904  97.837
  161    HB3  GLU  19           HB1      GLU  19  48.679  -6.605  99.450
  162    HG2  GLU  19           HG2      GLU  19  48.536  -4.368 100.031
  163    HG3  GLU  19           HG1      GLU  19  50.288  -4.511  99.924
  164    H    ALA  20           HN       ALA  20  52.856  -5.722  99.270
  165    HA   ALA  20           HA       ALA  20  52.569  -6.741 101.991
  166    HB1  ALA  20           HB1      ALA  20  54.129  -8.127  99.921
  167    HB2  ALA  20           HB2      ALA  20  53.670  -8.689 101.525
  168    HB3  ALA  20           HB3      ALA  20  55.116  -7.704 101.319
  169    H    VAL  21           HN       VAL  21  54.308  -6.065 103.374
  170    HA   VAL  21           HA       VAL  21  55.206  -3.392 102.733
  171    HB   VAL  21           HB       VAL  21  54.558  -3.537 104.975
  172   HG11  VAL  21          HG11      VAL  21  54.057  -5.847 105.115
  173   HG12  VAL  21          HG12      VAL  21  55.239  -5.546 106.386
  174   HG13  VAL  21          HG13      VAL  21  55.742  -6.305 104.881
  175   HG21  VAL  21          HG21      VAL  21  57.419  -4.458 105.356
  176   HG22  VAL  21          HG22      VAL  21  56.518  -3.289 106.313
  177   HG23  VAL  21          HG23      VAL  21  57.069  -2.864 104.698
  178    H    ASP  22           HN       ASP  22  56.512  -6.608 103.346
  179    HA   ASP  22           HA       ASP  22  59.200  -5.617 102.605
  180    HB2  ASP  22           HB2      ASP  22  58.574  -8.330 103.724
  181    HB3  ASP  22           HB1      ASP  22  60.108  -7.465 103.716
  182    H    ALA  23           HN       ALA  23  60.473  -6.674 101.179
  183    HA   ALA  23           HA       ALA  23  59.146  -7.766  98.876
  184    HB1  ALA  23           HB1      ALA  23  62.055  -7.445  99.618
  185    HB2  ALA  23           HB2      ALA  23  61.110  -6.423  98.537
  186    HB3  ALA  23           HB3      ALA  23  61.495  -8.079  98.075
  187    H    ALA  24           HN       ALA  24  61.332  -9.018 101.381
  188    HA   ALA  24           HA       ALA  24  61.494 -11.664 100.417
  189    HB1  ALA  24           HB1      ALA  24  63.026 -10.730 102.140
  190    HB2  ALA  24           HB2      ALA  24  62.300 -12.253 102.652
  191    HB3  ALA  24           HB3      ALA  24  61.696 -10.728 103.298
  192    H    THR  25           HN       THR  25  59.050 -10.164 102.729
  193    HA   THR  25           HA       THR  25  57.760 -12.599 103.375
  194    HB   THR  25           HB       THR  25  57.480 -10.217 104.458
  195    HG1  THR  25           HG1      THR  25  55.235 -10.974 104.998
  196   HG21  THR  25          HG21      THR  25  55.805  -8.799 103.676
  197   HG22  THR  25          HG22      THR  25  54.910 -10.115 102.915
  198   HG23  THR  25          HG23      THR  25  56.349  -9.466 102.138
  199    H    ALA  26           HN       ALA  26  57.488 -10.453 100.605
  200    HA   ALA  26           HA       ALA  26  55.034 -11.483  99.596
  201    HB1  ALA  26           HB1      ALA  26  55.467 -10.180  97.662
  202    HB2  ALA  26           HB2      ALA  26  57.209 -10.225  97.922
  203    HB3  ALA  26           HB3      ALA  26  56.181  -9.271  98.992
  204    H    GLU  27           HN       GLU  27  58.374 -12.336  99.214
  205    HA   GLU  27           HA       GLU  27  58.081 -14.134  97.041
  206    HB2  GLU  27           HB2      GLU  27  60.347 -14.189  97.099
  207    HB3  GLU  27           HB1      GLU  27  60.204 -12.950  98.338
  208    HG2  GLU  27           HG2      GLU  27  60.149 -14.770 100.066
  209    HG3  GLU  27           HG1      GLU  27  60.457 -15.933  98.796
  210    H    LYS  28           HN       LYS  28  57.783 -14.557 100.510
  211    HA   LYS  28           HA       LYS  28  58.121 -17.313 100.725
  212    HB2  LYS  28           HB2      LYS  28  56.076 -15.536 102.091
  213    HB3  LYS  28           HB1      LYS  28  56.471 -17.177 102.597
  214    HG2  LYS  28           HG2      LYS  28  58.890 -16.381 102.750
  215    HG3  LYS  28           HG1      LYS  28  58.261 -14.745 102.610
  216    HD2  LYS  28           HD2      LYS  28  57.715 -16.774 104.795
  217    HD3  LYS  28           HD1      LYS  28  58.460 -15.187 104.961
  218    HE2  LYS  28           HE2      LYS  28  56.229 -14.216 104.099
  219    HE3  LYS  28           HE1      LYS  28  55.550 -15.816 104.361
  220    HZ1  LYS  28           HZ1      LYS  28  56.279 -13.765 106.377
  221    HZ2  LYS  28           HZ2      LYS  28  56.714 -15.349 106.803
  222    HZ3  LYS  28           HZ3      LYS  28  55.091 -14.976 106.472
  223    H    VAL  29           HN       VAL  29  55.269 -15.450  99.735
  224    HA   VAL  29           HA       VAL  29  53.604 -17.742  99.362
  225    HB   VAL  29           HB       VAL  29  53.292 -15.038  98.050
  226   HG11  VAL  29          HG11      VAL  29  50.872 -15.654  98.250
  227   HG12  VAL  29          HG12      VAL  29  51.363 -17.236  98.855
  228   HG13  VAL  29          HG13      VAL  29  51.780 -16.754  97.211
  229   HG21  VAL  29          HG21      VAL  29  53.622 -14.667 100.429
  230   HG22  VAL  29          HG22      VAL  29  52.515 -15.980 100.829
  231   HG23  VAL  29          HG23      VAL  29  51.902 -14.506 100.078
  232    H    PHE  30           HN       PHE  30  55.306 -15.600  97.075
  233    HA   PHE  30           HA       PHE  30  54.637 -16.957  94.725
  234    HB2  PHE  30           HB2      PHE  30  57.055 -15.276  95.316
  235    HB3  PHE  30           HB1      PHE  30  56.558 -15.787  93.720
  236    HD1  PHE  30           HD1      PHE  30  53.733 -15.352  93.482
  237    HD2  PHE  30           HD2      PHE  30  56.605 -13.023  95.682
  238    HE1  PHE  30           HE1      PHE  30  52.265 -13.372  93.324
  239    HE2  PHE  30           HE2      PHE  30  55.138 -11.059  95.512
  240    HZ   PHE  30           HZ       PHE  30  52.964 -11.223  94.337
  241    H    LYS  31           HN       LYS  31  57.579 -17.314  96.756
  242    HA   LYS  31           HA       LYS  31  58.752 -19.169  94.928
  243    HB2  LYS  31           HB2      LYS  31  59.403 -18.063  97.587
  244    HB3  LYS  31           HB1      LYS  31  60.089 -19.636  97.258
  245    HG2  LYS  31           HG2      LYS  31  61.301 -18.843  95.402
  246    HG3  LYS  31           HG1      LYS  31  60.304 -17.415  95.243
  247    HD2  LYS  31           HD2      LYS  31  61.463 -16.236  96.815
  248    HD3  LYS  31           HD1      LYS  31  61.671 -17.634  97.861
  249    HE2  LYS  31           HE2      LYS  31  63.317 -18.043  95.537
  250    HE3  LYS  31           HE1      LYS  31  63.614 -16.421  96.156
  251    HZ1  LYS  31           HZ1      LYS  31  64.743 -18.574  97.175
  252    HZ2  LYS  31           HZ2      LYS  31  63.346 -18.522  98.141
  253    HZ3  LYS  31           HZ3      LYS  31  64.399 -17.190  98.091
  254    H    GLN  32           HN       GLN  32  56.767 -19.511  97.824
  255    HA   GLN  32           HA       GLN  32  56.979 -22.375  97.900
  256    HB2  GLN  32           HB2      GLN  32  56.359 -20.895  99.846
  257    HB3  GLN  32           HB1      GLN  32  54.805 -20.624  99.057
  258    HG2  GLN  32           HG2      GLN  32  54.495 -22.435 100.609
  259    HG3  GLN  32           HG1      GLN  32  54.507 -23.136  98.992
  260   HE21  GLN  32          HE21      GLN  32  55.772 -25.035  98.864
  261   HE22  GLN  32          HE22      GLN  32  57.164 -25.323  99.792
  262    H    TYR  33           HN       TYR  33  54.921 -19.981  96.423
  263    HA   TYR  33           HA       TYR  33  52.825 -21.679  95.566
  264    HB2  TYR  33           HB2      TYR  33  52.399 -19.357  95.697
  265    HB3  TYR  33           HB1      TYR  33  53.855 -18.978  94.787
  266    HD1  TYR  33           HD2      TYR  33  50.442 -20.351  94.563
  267    HD2  TYR  33           HD1      TYR  33  53.921 -19.066  92.394
  268    HE1  TYR  33           HE2      TYR  33  49.147 -20.409  92.449
  269    HE2  TYR  33           HE1      TYR  33  52.625 -19.124  90.282
  270    HH   TYR  33           HH       TYR  33  50.547 -19.270  89.405
  271    H    ALA  34           HN       ALA  34  55.849 -20.565  94.094
  272    HA   ALA  34           HA       ALA  34  55.409 -21.496  91.486
  273    HB1  ALA  34           HB1      ALA  34  57.566 -20.810  91.111
  274    HB2  ALA  34           HB2      ALA  34  58.195 -21.695  92.501
  275    HB3  ALA  34           HB3      ALA  34  57.425 -20.129  92.729
  276    H    ASN  35           HN       ASN  35  56.597 -23.239  94.414
  277    HA   ASN  35           HA       ASN  35  57.291 -25.594  92.969
  278    HB2  ASN  35           HB2      ASN  35  57.953 -24.752  95.388
  279    HB3  ASN  35           HB1      ASN  35  56.505 -25.631  95.870
  280   HD21  ASN  35          HD21      ASN  35  58.929 -26.715  96.835
  281   HD22  ASN  35          HD22      ASN  35  59.326 -28.117  95.967
  282    H    ASP  36           HN       ASP  36  54.460 -24.503  94.820
  283    HA   ASP  36           HA       ASP  36  52.956 -26.883  94.586
  284    HB2  ASP  36           HB2      ASP  36  51.731 -24.156  94.895
  285    HB3  ASP  36           HB1      ASP  36  51.223 -25.688  95.607
  286    H    ASN  37           HN       ASN  37  53.406 -24.210  92.321
  287    HA   ASN  37           HA       ASN  37  51.020 -25.020  90.833
  288    HB2  ASN  37           HB2      ASN  37  51.318 -23.045  89.578
  289    HB3  ASN  37           HB1      ASN  37  51.638 -22.631  91.254
  290   HD21  ASN  37          HD21      ASN  37  52.778 -20.815  89.666
  291   HD22  ASN  37          HD22      ASN  37  54.435 -21.097  89.433
  292    H    GLY  38           HN       GLY  38  54.525 -25.508  90.637
  293    HA2  GLY  38           HA2      GLY  38  55.008 -27.590  89.310
  294    HA3  GLY  38           HA1      GLY  38  54.117 -26.839  88.002
  295    H    VAL  39           HN       VAL  39  55.545 -24.165  88.895
  296    HA   VAL  39           HA       VAL  39  57.998 -24.717  87.310
  297    HB   VAL  39           HB       VAL  39  56.689 -23.117  86.162
  298   HG11  VAL  39          HG11      VAL  39  56.446 -21.523  88.714
  299   HG12  VAL  39          HG12      VAL  39  55.217 -22.618  88.131
  300   HG13  VAL  39          HG13      VAL  39  55.643 -21.211  87.183
  301   HG21  VAL  39          HG21      VAL  39  59.114 -22.472  86.535
  302   HG22  VAL  39          HG22      VAL  39  58.560 -21.402  87.813
  303   HG23  VAL  39          HG23      VAL  39  58.042 -21.131  86.153
  304    H    ASP  40           HN       ASP  40  59.717 -25.041  88.554
  305    HA   ASP  40           HA       ASP  40  60.309 -23.066  90.683
  306    HB2  ASP  40           HB2      ASP  40  60.505 -24.685  92.271
  307    HB3  ASP  40           HB1      ASP  40  59.743 -25.783  91.132
  308    H    GLY  41           HN       GLY  41  61.997 -21.840  89.861
  309    HA2  GLY  41           HA2      GLY  41  64.306 -23.327  88.756
  310    HA3  GLY  41           HA1      GLY  41  63.579 -22.056  87.792
  311    H    GLU  42           HN       GLU  42  65.634 -20.874  87.818
  312    HA   GLU  42           HA       GLU  42  66.776 -20.064  90.290
  313    HB2  GLU  42           HB2      GLU  42  67.321 -18.575  87.766
  314    HB3  GLU  42           HB1      GLU  42  68.437 -19.075  89.027
  315    HG2  GLU  42           HG2      GLU  42  67.180 -20.836  86.907
  316    HG3  GLU  42           HG1      GLU  42  68.884 -20.433  87.081
  317    H    TRP  43           HN       TRP  43  66.756 -17.928  91.137
  318    HA   TRP  43           HA       TRP  43  64.359 -16.358  90.364
  319    HB2  TRP  43           HB2      TRP  43  65.517 -16.999  93.064
  320    HB3  TRP  43           HB1      TRP  43  64.245 -15.808  92.799
  321    HD1  TRP  43           HD1      TRP  43  64.848 -19.635  92.505
  322    HE1  TRP  43           HE1      TRP  43  62.532 -20.769  92.500
  323    HE3  TRP  43           HE3      TRP  43  61.917 -15.517  92.442
  324    HZ2  TRP  43           HZ2      TRP  43  59.770 -19.988  92.509
  325    HZ3  TRP  43           HZ3      TRP  43  59.474 -15.712  92.464
  326    HH2  TRP  43           HH2      TRP  43  58.381 -17.933  92.498
  327    H    THR  44           HN       THR  44  64.402 -14.308  90.417
  328    HA   THR  44           HA       THR  44  66.722 -12.843  91.391
  329    HB   THR  44           HB       THR  44  66.982 -12.830  89.015
  330    HG1  THR  44           HG1      THR  44  66.263 -10.659  90.397
  331   HG21  THR  44          HG21      THR  44  64.015 -12.348  89.058
  332   HG22  THR  44          HG22      THR  44  64.918 -13.577  88.178
  333   HG23  THR  44          HG23      THR  44  64.981 -11.896  87.658
  334    H    TYR  45           HN       TYR  45  66.119 -10.511  92.064
  335    HA   TYR  45           HA       TYR  45  63.192 -10.271  92.253
  336    HB2  TYR  45           HB2      TYR  45  63.572 -11.100  94.409
  337    HB3  TYR  45           HB1      TYR  45  65.076 -10.197  94.584
  338    HD1  TYR  45           HD1      TYR  45  61.674  -9.093  93.369
  339    HD2  TYR  45           HD2      TYR  45  64.782  -8.635  96.300
  340    HE1  TYR  45           HE1      TYR  45  60.502  -7.140  94.306
  341    HE2  TYR  45           HE2      TYR  45  63.593  -6.683  97.245
  342    HH   TYR  45           HH       TYR  45  60.651  -5.415  95.714
  343    H    ASP  46           HN       ASP  46  62.615  -8.452  91.389
  344    HA   ASP  46           HA       ASP  46  64.626  -6.369  91.290
  345    HB2  ASP  46           HB2      ASP  46  62.991  -6.813  89.255
  346    HB3  ASP  46           HB1      ASP  46  61.812  -5.987  90.258
  347    H    ASP  47           HN       ASP  47  64.913  -5.196  93.043
  348    HA   ASP  47           HA       ASP  47  62.499  -4.564  94.673
  349    HB2  ASP  47           HB2      ASP  47  64.863  -5.379  95.647
  350    HB3  ASP  47           HB1      ASP  47  65.231  -3.661  95.499
  351    H    ALA  48           HN       ALA  48  64.342  -3.575  92.237
  352    HA   ALA  48           HA       ALA  48  64.456  -0.757  92.685
  353    HB1  ALA  48           HB1      ALA  48  65.739  -0.814  90.740
  354    HB2  ALA  48           HB2      ALA  48  64.781  -2.105  90.020
  355    HB3  ALA  48           HB3      ALA  48  65.940  -2.475  91.297
  356    H    THR  49           HN       THR  49  62.254  -3.045  91.181
  357    HA   THR  49           HA       THR  49  60.280  -0.952  90.536
  358    HB   THR  49           HB       THR  49  59.591  -2.640  88.632
  359    HG1  THR  49           HG1      THR  49  60.873  -4.312  88.824
  360   HG21  THR  49          HG21      THR  49  60.382  -0.479  88.026
  361   HG22  THR  49          HG22      THR  49  61.313  -1.639  87.078
  362   HG23  THR  49          HG23      THR  49  62.033  -0.879  88.498
  363    H    LYS  50           HN       LYS  50  61.056  -3.507  92.492
  364    HA   LYS  50           HA       LYS  50  59.843  -4.979  93.768
  365    HB2  LYS  50           HB2      LYS  50  57.327  -3.587  92.858
  366    HB3  LYS  50           HB1      LYS  50  57.643  -4.389  94.394
  367    HG2  LYS  50           HG2      LYS  50  58.952  -1.816  93.452
  368    HG3  LYS  50           HG1      LYS  50  57.670  -1.936  94.652
  369    HD2  LYS  50           HD2      LYS  50  59.172  -3.366  96.048
  370    HD3  LYS  50           HD1      LYS  50  60.460  -3.099  94.879
  371    HE2  LYS  50           HE2      LYS  50  60.568  -0.787  95.341
  372    HE3  LYS  50           HE1      LYS  50  59.022  -0.800  96.184
  373    HZ1  LYS  50           HZ1      LYS  50  60.097  -1.207  98.054
  374    HZ2  LYS  50           HZ2      LYS  50  61.583  -1.244  97.232
  375    HZ3  LYS  50           HZ3      LYS  50  60.676  -2.668  97.416
  376    H    THR  51           HN       THR  51  60.630  -6.071  91.474
  377    HA   THR  51           HA       THR  51  58.278  -7.676  90.662
  378    HB   THR  51           HB       THR  51  60.206  -6.372  88.711
  379    HG1  THR  51           HG1      THR  51  57.427  -6.247  89.196
  380   HG21  THR  51          HG21      THR  51  58.798  -7.615  86.992
  381   HG22  THR  51          HG22      THR  51  58.190  -8.598  88.324
  382   HG23  THR  51          HG23      THR  51  59.908  -8.620  87.924
  383    H    PHE  52           HN       PHE  52  58.633  -9.854  90.795
  384    HA   PHE  52           HA       PHE  52  61.396 -10.877  90.998
  385    HB2  PHE  52           HB2      PHE  52  58.693 -11.941  91.813
  386    HB3  PHE  52           HB1      PHE  52  60.166 -12.902  91.897
  387    HD1  PHE  52           HD2      PHE  52  58.633  -9.686  93.092
  388    HD2  PHE  52           HD1      PHE  52  61.532 -12.786  93.786
  389    HE1  PHE  52           HE2      PHE  52  59.080  -8.791  95.371
  390    HE2  PHE  52           HE1      PHE  52  61.946 -11.893  96.056
  391    HZ   PHE  52           HZ       PHE  52  60.717  -9.899  96.845
  392    H    THR  53           HN       THR  53  61.910 -12.883  89.794
  393    HA   THR  53           HA       THR  53  59.926 -13.804  87.852
  394    HB   THR  53           HB       THR  53  61.371 -13.621  85.905
  395    HG1  THR  53           HG1      THR  53  63.272 -12.175  86.276
  396   HG21  THR  53          HG21      THR  53  61.439 -10.865  87.105
  397   HG22  THR  53          HG22      THR  53  59.910 -11.636  86.730
  398   HG23  THR  53          HG23      THR  53  61.065 -11.346  85.452
  399    H    VAL  54           HN       VAL  54  60.049 -16.094  87.670
  400    HA   VAL  54           HA       VAL  54  62.553 -17.341  88.662
  401    HB   VAL  54           HB       VAL  54  60.604 -17.811  90.081
  402   HG11  VAL  54          HG11      VAL  54  59.456 -19.273  87.694
  403   HG12  VAL  54          HG12      VAL  54  58.975 -17.634  88.122
  404   HG13  VAL  54          HG13      VAL  54  58.681 -18.962  89.244
  405   HG21  VAL  54          HG21      VAL  54  61.440 -20.268  88.495
  406   HG22  VAL  54          HG22      VAL  54  60.948 -20.211  90.188
  407   HG23  VAL  54          HG23      VAL  54  62.477 -19.486  89.689
  408    H    THR  55           HN       THR  55  63.731 -18.546  87.258
  409    HA   THR  55           HA       THR  55  62.449 -19.484  84.744
  410    HB   THR  55           HB       THR  55  64.162 -17.475  84.713
  411    HG1  THR  55           HG1      THR  55  65.070 -19.076  82.808
  412   HG21  THR  55          HG21      THR  55  66.479 -18.098  84.591
  413   HG22  THR  55          HG22      THR  55  66.095 -19.808  84.583
  414   HG23  THR  55          HG23      THR  55  65.855 -18.851  86.042
  415    H    GLU  56           HN       GLU  56  62.522 -21.694  84.428
  416    HA   GLU  56           HA       GLU  56  64.654 -23.225  85.834
  417    HB2  GLU  56           HB2      GLU  56  62.881 -25.145  85.444
  418    HB3  GLU  56           HB1      GLU  56  62.702 -24.033  86.801
  419    HG2  GLU  56           HG2      GLU  56  61.164 -22.656  85.543
  420    HG3  GLU  56           HG1      GLU  56  61.398 -23.643  84.101
  421    H1   MET   1           HT1      MET   1  68.345 -24.515  70.627
  422    H2   MET   1           HT2      MET   1  69.693 -24.590  69.597
  423    H3   MET   1           HT3      MET   1  69.050 -23.085  70.051
  424    HA   MET   1           HA       MET   1  70.179 -25.021  71.976
  425    HB2  MET   1           HB2      MET   1  72.277 -24.397  71.335
  426    HB3  MET   1           HB1      MET   1  71.556 -23.551  69.982
  427    HG2  MET   1           HG2      MET   1  71.247 -21.571  71.673
  428    HG3  MET   1           HG1      MET   1  72.420 -22.448  72.651
  429    HE1  MET   1           HE1      MET   1  72.361 -22.044  68.502
  430    HE2  MET   1           HE2      MET   1  72.802 -20.360  68.688
  431    HE3  MET   1           HE3      MET   1  71.365 -20.975  69.495
  432    H    GLN   2           HN       GLN   2  71.026 -23.393  73.890
  433    HA   GLN   2           HA       GLN   2  68.780 -21.536  74.468
  434    HB2  GLN   2           HB2      GLN   2  70.125 -23.544  76.286
  435    HB3  GLN   2           HB1      GLN   2  69.064 -22.262  76.863
  436    HG2  GLN   2           HG2      GLN   2  67.210 -23.137  75.561
  437    HG3  GLN   2           HG1      GLN   2  68.259 -24.340  74.810
  438   HE21  GLN   2          HE21      GLN   2  69.608 -24.571  77.749
  439   HE22  GLN   2          HE22      GLN   2  68.539 -25.624  78.541
  440    H    TYR   3           HN       TYR   3  69.240 -19.674  75.521
  441    HA   TYR   3           HA       TYR   3  72.087 -19.040  76.033
  442    HB2  TYR   3           HB2      TYR   3  69.852 -17.130  75.361
  443    HB3  TYR   3           HB1      TYR   3  71.563 -16.749  75.550
  444    HD1  TYR   3           HD1      TYR   3  73.230 -17.585  73.910
  445    HD2  TYR   3           HD2      TYR   3  69.005 -18.151  73.378
  446    HE1  TYR   3           HE1      TYR   3  73.595 -18.087  71.509
  447    HE2  TYR   3           HE2      TYR   3  69.378 -18.664  70.984
  448    HH   TYR   3           HH       TYR   3  70.848 -18.838  69.360
  449    H    LYS   4           HN       LYS   4  72.547 -18.032  77.956
  450    HA   LYS   4           HA       LYS   4  70.294 -17.860  79.898
  451    HB2  LYS   4           HB2      LYS   4  71.767 -19.721  80.432
  452    HB3  LYS   4           HB1      LYS   4  73.179 -18.678  80.324
  453    HG2  LYS   4           HG2      LYS   4  72.412 -17.380  82.259
  454    HG3  LYS   4           HG1      LYS   4  70.929 -18.332  82.341
  455    HD2  LYS   4           HD2      LYS   4  73.474 -19.915  82.380
  456    HD3  LYS   4           HD1      LYS   4  73.188 -18.914  83.798
  457    HE2  LYS   4           HE2      LYS   4  70.962 -20.647  82.760
  458    HE3  LYS   4           HE1      LYS   4  72.243 -21.365  83.737
  459    HZ1  LYS   4           HZ1      LYS   4  70.144 -19.529  84.506
  460    HZ2  LYS   4           HZ2      LYS   4  71.678 -19.159  85.136
  461    HZ3  LYS   4           HZ3      LYS   4  70.979 -20.678  85.434
  462    H    LEU   5           HN       LEU   5  69.935 -15.885  80.717
  463    HA   LEU   5           HA       LEU   5  72.084 -13.859  80.512
  464    HB2  LEU   5           HB2      LEU   5  70.101 -13.235  79.264
  465    HB3  LEU   5           HB1      LEU   5  69.076 -13.588  80.625
  466    HG   LEU   5           HG       LEU   5  69.654 -11.105  80.030
  467   HD11  LEU   5          HD11      LEU   5  69.757 -12.067  82.887
  468   HD12  LEU   5          HD12      LEU   5  68.314 -11.709  81.946
  469   HD13  LEU   5          HD13      LEU   5  69.435 -10.420  82.366
  470   HD21  LEU   5          HD21      LEU   5  72.185 -11.626  80.175
  471   HD22  LEU   5          HD22      LEU   5  71.947 -11.494  81.910
  472   HD23  LEU   5          HD23      LEU   5  71.581 -10.135  80.870
  473    H    ILE   6           HN       ILE   6  72.958 -13.118  82.349
  474    HA   ILE   6           HA       ILE   6  71.868 -14.076  84.919
  475    HB   ILE   6           HB       ILE   6  74.468 -12.614  84.410
  476   HG12  ILE   6          HG12      ILE   6  74.389 -14.682  83.059
  477   HG13  ILE   6          HG11      ILE   6  75.564 -14.810  84.364
  478   HG21  ILE   6          HG21      ILE   6  73.703 -12.582  86.711
  479   HG22  ILE   6          HG22      ILE   6  75.091 -13.662  86.570
  480   HG23  ILE   6          HG23      ILE   6  73.463 -14.330  86.688
  481   HD11  ILE   6          HD11      ILE   6  73.724 -15.978  85.698
  482   HD12  ILE   6          HD12      ILE   6  74.374 -16.869  84.328
  483   HD13  ILE   6          HD13      ILE   6  72.818 -16.057  84.188
  484    H    LEU   7           HN       LEU   7  70.962 -12.724  86.323
  485    HA   LEU   7           HA       LEU   7  70.640  -9.930  85.512
  486    HB2  LEU   7           HB2      LEU   7  69.453 -11.598  87.727
  487    HB3  LEU   7           HB1      LEU   7  69.181  -9.873  87.590
  488    HG   LEU   7           HG       LEU   7  68.601 -10.847  85.001
  489   HD11  LEU   7          HD11      LEU   7  67.270 -12.739  85.173
  490   HD12  LEU   7          HD12      LEU   7  67.061 -12.584  86.900
  491   HD13  LEU   7          HD13      LEU   7  68.593 -13.143  86.255
  492   HD21  LEU   7          HD21      LEU   7  67.413  -9.102  86.288
  493   HD22  LEU   7          HD22      LEU   7  66.705 -10.365  87.282
  494   HD23  LEU   7          HD23      LEU   7  66.311 -10.278  85.574
  495    H    ASN   8           HN       ASN   8  72.109  -8.530  86.117
  496    HA   ASN   8           HA       ASN   8  73.064  -8.541  88.893
  497    HB2  ASN   8           HB2      ASN   8  75.274  -7.654  87.780
  498    HB3  ASN   8           HB1      ASN   8  74.994  -9.388  87.907
  499   HD21  ASN   8          HD21      ASN   8  76.212  -7.267  85.769
  500   HD22  ASN   8          HD22      ASN   8  75.698  -7.964  84.309
  501    H    GLY   9           HN       GLY   9  71.452  -6.914  89.187
  502    HA2  GLY   9           HA2      GLY   9  72.067  -4.328  87.844
  503    HA3  GLY   9           HA1      GLY   9  70.430  -4.837  88.234
  504    H    LYS  10           HN       LYS  10  70.184  -2.885  89.448
  505    HA   LYS  10           HA       LYS  10  71.868  -2.315  91.668
  506    HB2  LYS  10           HB2      LYS  10  68.996  -1.391  91.486
  507    HB3  LYS  10           HB1      LYS  10  70.387  -0.555  92.180
  508    HG2  LYS  10           HG2      LYS  10  71.295  -0.796  89.641
  509    HG3  LYS  10           HG1      LYS  10  69.567  -0.811  89.305
  510    HD2  LYS  10           HD2      LYS  10  69.337   1.313  90.585
  511    HD3  LYS  10           HD1      LYS  10  71.086   1.333  90.814
  512    HE2  LYS  10           HE2      LYS  10  71.453   1.457  88.417
  513    HE3  LYS  10           HE1      LYS  10  69.728   1.264  88.105
  514    HZ1  LYS  10           HZ1      LYS  10  71.180   3.584  89.160
  515    HZ2  LYS  10           HZ2      LYS  10  69.572   3.339  89.652
  516    HZ3  LYS  10           HZ3      LYS  10  69.940   3.521  88.003
  517    H    THR  11           HN       THR  11  68.582  -3.851  91.499
  518    HA   THR  11           HA       THR  11  69.403  -5.440  93.764
  519    HB   THR  11           HB       THR  11  66.524  -4.849  93.741
  520    HG1  THR  11           HG1      THR  11  66.810  -2.773  93.507
  521   HG21  THR  11          HG21      THR  11  68.747  -4.608  95.738
  522   HG22  THR  11          HG22      THR  11  67.866  -6.098  95.390
  523   HG23  THR  11          HG23      THR  11  67.039  -4.720  96.089
  524    H    LEU  12           HN       LEU  12  68.424  -5.403  90.550
  525    HA   LEU  12           HA       LEU  12  66.870  -7.816  90.939
  526    HB2  LEU  12           HB2      LEU  12  67.350  -6.064  88.673
  527    HB3  LEU  12           HB1      LEU  12  67.563  -7.742  88.194
  528    HG   LEU  12           HG       LEU  12  65.213  -6.494  89.446
  529   HD11  LEU  12          HD11      LEU  12  65.749  -7.571  86.755
  530   HD12  LEU  12          HD12      LEU  12  65.026  -6.035  87.217
  531   HD13  LEU  12          HD13      LEU  12  64.101  -7.518  87.359
  532   HD21  LEU  12          HD21      LEU  12  65.666  -8.964  90.243
  533   HD22  LEU  12          HD22      LEU  12  65.228  -9.350  88.617
  534   HD23  LEU  12          HD23      LEU  12  64.085  -8.588  89.645
  535    H    LYS  13           HN       LYS  13  67.839  -9.726  91.425
  536    HA   LYS  13           HA       LYS  13  70.142 -10.495  89.753
  537    HB2  LYS  13           HB2      LYS  13  70.225 -10.499  92.773
  538    HB3  LYS  13           HB1      LYS  13  71.348 -11.412  91.778
  539    HG2  LYS  13           HG2      LYS  13  72.649  -9.554  91.819
  540    HG3  LYS  13           HG1      LYS  13  71.532  -8.899  90.635
  541    HD2  LYS  13           HD2      LYS  13  70.157  -8.207  92.832
  542    HD3  LYS  13           HD1      LYS  13  71.754  -8.315  93.576
  543    HE2  LYS  13           HE2      LYS  13  71.583  -6.065  92.859
  544    HE3  LYS  13           HE1      LYS  13  72.551  -6.848  91.606
  545    HZ1  LYS  13           HZ1      LYS  13  69.682  -6.960  91.248
  546    HZ2  LYS  13           HZ2      LYS  13  70.901  -6.688  90.106
  547    HZ3  LYS  13           HZ3      LYS  13  70.363  -5.419  91.095
  548    H    GLY  14           HN       GLY  14  70.057 -12.459  89.080
  549    HA2  GLY  14           HA2      GLY  14  69.602 -14.829  90.388
  550    HA3  GLY  14           HA1      GLY  14  68.031 -14.377  89.764
  551    H    GLU  15           HN       GLU  15  68.043 -16.145  88.081
  552    HA   GLU  15           HA       GLU  15  69.970 -15.502  85.883
  553    HB2  GLU  15           HB2      GLU  15  68.828 -18.264  86.184
  554    HB3  GLU  15           HB1      GLU  15  70.204 -17.731  85.242
  555    HG2  GLU  15           HG2      GLU  15  70.184 -17.489  88.240
  556    HG3  GLU  15           HG1      GLU  15  70.672 -18.972  87.437
  557    H    THR  16           HN       THR  16  69.243 -16.139  83.699
  558    HA   THR  16           HA       THR  16  66.339 -16.326  83.311
  559    HB   THR  16           HB       THR  16  67.186 -14.371  81.441
  560    HG1  THR  16           HG1      THR  16  68.288 -14.108  83.981
  561   HG21  THR  16          HG21      THR  16  65.548 -14.103  83.958
  562   HG22  THR  16          HG22      THR  16  64.944 -14.580  82.370
  563   HG23  THR  16          HG23      THR  16  65.573 -12.952  82.621
  564    H    THR  17           HN       THR  17  65.791 -17.410  81.403
  565    HA   THR  17           HA       THR  17  67.940 -17.887  79.458
  566    HB   THR  17           HB       THR  17  66.457 -20.295  80.470
  567    HG1  THR  17           HG1      THR  17  68.463 -20.535  81.773
  568   HG21  THR  17          HG21      THR  17  67.964 -20.193  78.355
  569   HG22  THR  17          HG22      THR  17  68.251 -21.488  79.505
  570   HG23  THR  17          HG23      THR  17  69.302 -20.077  79.493
  571    H    THR  18           HN       THR  18  67.275 -18.865  77.487
  572    HA   THR  18           HA       THR  18  64.466 -19.153  76.905
  573    HB   THR  18           HB       THR  18  65.001 -16.656  76.736
  574    HG1  THR  18           HG1      THR  18  64.252 -17.820  74.280
  575   HG21  THR  18          HG21      THR  18  66.365 -15.865  75.010
  576   HG22  THR  18          HG22      THR  18  66.296 -17.385  74.124
  577   HG23  THR  18          HG23      THR  18  67.276 -17.263  75.584
  578    H    GLU  19           HN       GLU  19  64.130 -20.140  74.843
  579    HA   GLU  19           HA       GLU  19  66.505 -21.578  73.808
  580    HB2  GLU  19           HB2      GLU  19  64.536 -22.888  74.670
  581    HB3  GLU  19           HB1      GLU  19  63.552 -22.149  73.412
  582    HG2  GLU  19           HG2      GLU  19  64.162 -24.110  72.327
  583    HG3  GLU  19           HG1      GLU  19  65.487 -23.074  71.815
  584    H    ALA  20           HN       ALA  20  67.363 -20.631  72.051
  585    HA   ALA  20           HA       ALA  20  65.591 -19.801  69.849
  586    HB1  ALA  20           HB1      ALA  20  67.212 -17.998  71.524
  587    HB2  ALA  20           HB2      ALA  20  65.906 -17.608  70.412
  588    HB3  ALA  20           HB3      ALA  20  67.546 -17.819  69.804
  589    H    VAL  21           HN       VAL  21  66.740 -19.502  67.833
  590    HA   VAL  21           HA       VAL  21  68.798 -21.507  67.457
  591    HB   VAL  21           HB       VAL  21  67.278 -21.493  65.672
  592   HG11  VAL  21          HG11      VAL  21  65.969 -19.572  66.231
  593   HG12  VAL  21          HG12      VAL  21  66.564 -19.297  64.597
  594   HG13  VAL  21          HG13      VAL  21  67.324 -18.480  65.957
  595   HG21  VAL  21          HG21      VAL  21  69.225 -19.438  64.597
  596   HG22  VAL  21          HG22      VAL  21  68.493 -20.806  63.756
  597   HG23  VAL  21          HG23      VAL  21  69.743 -21.084  64.968
  598    H    ASP  22           HN       ASP  22  68.383 -18.006  67.292
  599    HA   ASP  22           HA       ASP  22  71.300 -17.688  66.855
  600    HB2  ASP  22           HB2      ASP  22  69.221 -15.534  66.564
  601    HB3  ASP  22           HB1      ASP  22  70.860 -15.574  65.919
  602    H    ALA  23           HN       ALA  23  72.443 -16.077  67.919
  603    HA   ALA  23           HA       ALA  23  71.880 -15.875  70.728
  604    HB1  ALA  23           HB1      ALA  23  74.042 -14.712  68.968
  605    HB2  ALA  23           HB2      ALA  23  74.169 -16.099  70.049
  606    HB3  ALA  23           HB3      ALA  23  73.979 -14.477  70.714
  607    H    ALA  24           HN       ALA  24  72.020 -13.565  68.026
  608    HA   ALA  24           HA       ALA  24  71.404 -11.259  69.541
  609    HB1  ALA  24           HB1      ALA  24  72.339 -11.181  67.237
  610    HB2  ALA  24           HB2      ALA  24  70.885 -10.197  67.398
  611    HB3  ALA  24           HB3      ALA  24  70.800 -11.773  66.611
  612    H    THR  25           HN       THR  25  69.164 -13.627  67.841
  613    HA   THR  25           HA       THR  25  66.793 -12.154  68.258
  614    HB   THR  25           HB       THR  25  67.242 -14.324  66.813
  615    HG1  THR  25           HG1      THR  25  64.848 -14.743  67.234
  616   HG21  THR  25          HG21      THR  25  66.705 -16.403  67.746
  617   HG22  THR  25          HG22      THR  25  65.793 -15.684  69.075
  618   HG23  THR  25          HG23      THR  25  67.555 -15.641  69.090
  619    H    ALA  26           HN       ALA  26  68.602 -14.326  70.363
  620    HA   ALA  26           HA       ALA  26  66.578 -14.660  72.336
  621    HB1  ALA  26           HB1      ALA  26  68.204 -15.798  73.584
  622    HB2  ALA  26           HB2      ALA  26  69.522 -14.817  72.948
  623    HB3  ALA  26           HB3      ALA  26  68.757 -16.033  71.926
  624    H    GLU  27           HN       GLU  27  69.113 -12.346  71.810
  625    HA   GLU  27           HA       GLU  27  69.060 -11.034  74.310
  626    HB2  GLU  27           HB2      GLU  27  70.785  -9.854  73.406
  627    HB3  GLU  27           HB1      GLU  27  70.600 -10.889  71.996
  628    HG2  GLU  27           HG2      GLU  27  68.928  -9.216  71.092
  629    HG3  GLU  27           HG1      GLU  27  69.354  -8.160  72.430
  630    H    LYS  28           HN       LYS  28  67.081 -10.693  71.435
  631    HA   LYS  28           HA       LYS  28  66.075  -8.126  71.846
  632    HB2  LYS  28           HB2      LYS  28  64.641 -10.560  70.753
  633    HB3  LYS  28           HB1      LYS  28  64.073  -8.898  70.596
  634    HG2  LYS  28           HG2      LYS  28  66.358  -8.394  69.533
  635    HG3  LYS  28           HG1      LYS  28  66.551 -10.141  69.403
  636    HD2  LYS  28           HD2      LYS  28  64.380  -8.432  68.145
  637    HD3  LYS  28           HD1      LYS  28  65.609  -9.384  67.311
  638    HE2  LYS  28           HE2      LYS  28  64.576 -11.438  68.523
  639    HE3  LYS  28           HE1      LYS  28  63.211 -10.389  68.876
  640    HZ1  LYS  28           HZ1      LYS  28  63.970 -11.629  66.289
  641    HZ2  LYS  28           HZ2      LYS  28  63.451 -10.017  66.168
  642    HZ3  LYS  28           HZ3      LYS  28  62.427 -11.189  66.848
  643    H    VAL  29           HN       VAL  29  64.981 -11.220  73.173
  644    HA   VAL  29           HA       VAL  29  62.802 -10.089  74.632
  645    HB   VAL  29           HB       VAL  29  64.261 -12.659  75.260
  646   HG11  VAL  29          HG11      VAL  29  61.968 -13.324  76.009
  647   HG12  VAL  29          HG12      VAL  29  61.421 -11.680  75.679
  648   HG13  VAL  29          HG13      VAL  29  62.626 -11.973  76.933
  649   HG21  VAL  29          HG21      VAL  29  63.738 -12.676  72.885
  650   HG22  VAL  29          HG22      VAL  29  62.109 -12.076  73.201
  651   HG23  VAL  29          HG23      VAL  29  62.568 -13.699  73.719
  652    H    PHE  30           HN       PHE  30  66.040 -11.214  75.595
  653    HA   PHE  30           HA       PHE  30  65.908 -10.522  78.298
  654    HB2  PHE  30           HB2      PHE  30  68.301 -10.709  76.490
  655    HB3  PHE  30           HB1      PHE  30  68.372 -10.613  78.237
  656    HD1  PHE  30           HD1      PHE  30  66.418 -12.418  79.313
  657    HD2  PHE  30           HD2      PHE  30  68.746 -12.858  75.719
  658    HE1  PHE  30           HE1      PHE  30  66.148 -14.869  79.429
  659    HE2  PHE  30           HE2      PHE  30  68.481 -15.304  75.858
  660    HZ   PHE  30           HZ       PHE  30  67.182 -16.317  77.710
  661    H    LYS  31           HN       LYS  31  67.218  -8.595  75.560
  662    HA   LYS  31           HA       LYS  31  68.092  -6.487  77.263
  663    HB2  LYS  31           HB2      LYS  31  67.658  -6.736  74.298
  664    HB3  LYS  31           HB1      LYS  31  67.911  -5.138  74.992
  665    HG2  LYS  31           HG2      LYS  31  70.002  -6.128  76.123
  666    HG3  LYS  31           HG1      LYS  31  69.794  -7.508  75.044
  667    HD2  LYS  31           HD2      LYS  31  69.962  -6.051  73.098
  668    HD3  LYS  31           HD1      LYS  31  70.025  -4.629  74.132
  669    HE2  LYS  31           HE2      LYS  31  72.138  -5.327  75.072
  670    HE3  LYS  31           HE1      LYS  31  72.054  -6.871  74.220
  671    HZ1  LYS  31           HZ1      LYS  31  73.073  -4.443  73.291
  672    HZ2  LYS  31           HZ2      LYS  31  71.697  -4.809  72.366
  673    HZ3  LYS  31           HZ3      LYS  31  72.976  -5.921  72.467
  674    H    GLN  32           HN       GLN  32  65.150  -6.920  75.316
  675    HA   GLN  32           HA       GLN  32  63.976  -4.450  76.080
  676    HB2  GLN  32           HB2      GLN  32  63.342  -5.934  74.120
  677    HB3  GLN  32           HB1      GLN  32  62.517  -6.968  75.286
  678    HG2  GLN  32           HG2      GLN  32  60.868  -5.448  74.432
  679    HG3  GLN  32           HG1      GLN  32  61.258  -4.908  76.064
  680   HE21  GLN  32          HE21      GLN  32  61.547  -2.646  76.201
  681   HE22  GLN  32          HE22      GLN  32  62.164  -1.681  74.949
  682    H    TYR  33           HN       TYR  33  64.038  -7.670  77.434
  683    HA   TYR  33           HA       TYR  33  61.978  -7.368  79.342
  684    HB2  TYR  33           HB2      TYR  33  62.634  -9.564  78.783
  685    HB3  TYR  33           HB1      TYR  33  64.337  -9.175  78.991
  686    HD1  TYR  33           HD2      TYR  33  61.159  -9.779  80.781
  687    HD2  TYR  33           HD1      TYR  33  65.403  -9.201  81.115
  688    HE1  TYR  33           HE2      TYR  33  61.075 -10.497  83.156
  689    HE2  TYR  33           HE1      TYR  33  65.317  -9.916  83.482
  690    HH   TYR  33           HH       TYR  33  64.029 -10.956  85.035
  691    H    ALA  34           HN       ALA  34  65.484  -6.840  79.435
  692    HA   ALA  34           HA       ALA  34  65.755  -6.406  82.190
  693    HB1  ALA  34           HB1      ALA  34  67.938  -5.961  81.664
  694    HB2  ALA  34           HB2      ALA  34  67.497  -4.780  80.428
  695    HB3  ALA  34           HB3      ALA  34  67.459  -6.504  80.057
  696    H    ASN  35           HN       ASN  35  64.770  -4.133  79.566
  697    HA   ASN  35           HA       ASN  35  64.883  -1.842  81.251
  698    HB2  ASN  35           HB2      ASN  35  64.797  -2.085  78.620
  699    HB3  ASN  35           HB1      ASN  35  63.054  -2.030  78.875
  700   HD21  ASN  35          HD21      ASN  35  64.253   0.177  77.487
  701   HD22  ASN  35          HD22      ASN  35  64.252   1.537  78.504
  702    H    ASP  36           HN       ASP  36  62.340  -4.094  80.210
  703    HA   ASP  36           HA       ASP  36  60.193  -2.824  81.545
  704    HB2  ASP  36           HB2      ASP  36  60.271  -5.763  80.925
  705    HB3  ASP  36           HB1      ASP  36  58.905  -4.649  80.857
  706    H    ASN  37           HN       ASN  37  62.637  -5.101  82.725
  707    HA   ASN  37           HA       ASN  37  61.001  -5.724  85.061
  708    HB2  ASN  37           HB2      ASN  37  62.648  -7.335  85.593
  709    HB3  ASN  37           HB1      ASN  37  62.376  -7.423  83.858
  710   HD21  ASN  37          HD21      ASN  37  64.757  -8.485  84.432
  711   HD22  ASN  37          HD22      ASN  37  66.037  -7.403  84.166
  712    H    GLY  38           HN       GLY  38  63.660  -3.516  84.278
  713    HA2  GLY  38           HA2      GLY  38  63.661  -1.589  85.880
  714    HA3  GLY  38           HA1      GLY  38  63.785  -2.774  87.161
  715    H    VAL  39           HN       VAL  39  65.774  -4.186  85.050
  716    HA   VAL  39           HA       VAL  39  68.128  -2.602  85.959
  717    HB   VAL  39           HB       VAL  39  68.238  -4.703  87.024
  718   HG11  VAL  39          HG11      VAL  39  67.750  -6.070  84.376
  719   HG12  VAL  39          HG12      VAL  39  66.488  -5.757  85.547
  720   HG13  VAL  39          HG13      VAL  39  67.819  -6.814  85.969
  721   HG21  VAL  39          HG21      VAL  39  70.327  -4.017  85.767
  722   HG22  VAL  39          HG22      VAL  39  69.849  -5.138  84.502
  723   HG23  VAL  39          HG23      VAL  39  70.209  -5.737  86.116
  724    H    ASP  40           HN       ASP  40  68.885  -1.383  84.365
  725    HA   ASP  40           HA       ASP  40  69.395  -2.660  81.737
  726    HB2  ASP  40           HB2      ASP  40  68.228  -1.060  80.616
  727    HB3  ASP  40           HB1      ASP  40  67.567  -0.575  82.168
  728    H    GLY  41           HN       GLY  41  71.620  -2.927  81.660
  729    HA2  GLY  41           HA2      GLY  41  73.269  -0.565  82.347
  730    HA3  GLY  41           HA1      GLY  41  73.621  -2.100  83.122
  731    H    GLU  42           HN       GLU  42  75.793  -2.048  82.151
  732    HA   GLU  42           HA       GLU  42  76.054  -1.992  79.325
  733    HB2  GLU  42           HB2      GLU  42  78.183  -3.118  81.116
  734    HB3  GLU  42           HB1      GLU  42  78.343  -2.106  79.686
  735    HG2  GLU  42           HG2      GLU  42  77.382  -1.245  82.426
  736    HG3  GLU  42           HG1      GLU  42  78.870  -0.755  81.619
  737    H    TRP  43           HN       TRP  43  76.202  -3.653  77.950
  738    HA   TRP  43           HA       TRP  43  75.460  -6.311  78.976
  739    HB2  TRP  43           HB2      TRP  43  75.120  -4.965  76.298
  740    HB3  TRP  43           HB1      TRP  43  74.773  -6.673  76.578
  741    HD1  TRP  43           HD1      TRP  43  73.532  -3.162  77.560
  742    HE1  TRP  43           HE1      TRP  43  71.194  -3.401  78.618
  743    HE3  TRP  43           HE3      TRP  43  73.179  -8.232  77.743
  744    HZ2  TRP  43           HZ2      TRP  43  69.416  -5.465  79.385
  745    HZ3  TRP  43           HZ3      TRP  43  71.145  -9.310  78.629
  746    HH2  TRP  43           HH2      TRP  43  69.255  -7.939  79.455
  747    H    THR  44           HN       THR  44  76.168  -8.106  77.882
  748    HA   THR  44           HA       THR  44  78.576  -8.074  76.291
  749    HB   THR  44           HB       THR  44  79.599  -7.894  78.487
  750    HG1  THR  44           HG1      THR  44  79.604 -10.312  77.133
  751   HG21  THR  44          HG21      THR  44  77.561 -10.000  79.218
  752   HG22  THR  44          HG22      THR  44  77.915  -8.472  80.023
  753   HG23  THR  44          HG23      THR  44  79.051  -9.813  80.140
  754    H    TYR  45           HN       TYR  45  79.025 -10.338  75.507
  755    HA   TYR  45           HA       TYR  45  76.989 -12.313  76.174
  756    HB2  TYR  45           HB2      TYR  45  75.796 -11.223  74.429
  757    HB3  TYR  45           HB1      TYR  45  77.236 -11.102  73.422
  758    HD1  TYR  45           HD1      TYR  45  75.543 -13.884  75.328
  759    HD2  TYR  45           HD2      TYR  45  77.187 -12.555  71.587
  760    HE1  TYR  45           HE1      TYR  45  75.032 -16.077  74.322
  761    HE2  TYR  45           HE2      TYR  45  76.673 -14.761  70.582
  762    HH   TYR  45           HH       TYR  45  75.322 -17.399  72.543
  763    H    ASP  46           HN       ASP  46  78.040 -14.121  76.481
  764    HA   ASP  46           HA       ASP  46  80.519 -14.603  74.967
  765    HB2  ASP  46           HB2      ASP  46  80.735 -14.942  77.385
  766    HB3  ASP  46           HB1      ASP  46  79.353 -16.049  77.375
  767    H    ASP  47           HN       ASP  47  80.150 -15.638  73.016
  768    HA   ASP  47           HA       ASP  47  77.768 -17.259  72.640
  769    HB2  ASP  47           HB2      ASP  47  78.861 -15.650  70.924
  770    HB3  ASP  47           HB1      ASP  47  80.005 -16.960  70.643
  771    H    ALA  48           HN       ALA  48  80.833 -17.747  73.832
  772    HA   ALA  48           HA       ALA  48  81.289 -20.403  72.794
  773    HB1  ALA  48           HB1      ALA  48  83.264 -20.370  74.055
  774    HB2  ALA  48           HB2      ALA  48  82.590 -19.273  75.261
  775    HB3  ALA  48           HB3      ALA  48  83.025 -18.668  73.663
  776    H    THR  49           HN       THR  49  79.577 -18.972  75.521
  777    HA   THR  49           HA       THR  49  78.889 -21.680  76.516
  778    HB   THR  49           HB       THR  49  78.605 -20.419  78.803
  779    HG1  THR  49           HG1      THR  49  79.033 -18.379  78.431
  780   HG21  THR  49          HG21      THR  49  80.261 -22.163  78.486
  781   HG22  THR  49          HG22      THR  49  80.995 -20.819  79.360
  782   HG23  THR  49          HG23      THR  49  81.327 -21.040  77.642
  783    H    LYS  50           HN       LYS  50  77.724 -19.318  74.729
  784    HA   LYS  50           HA       LYS  50  75.684 -18.280  74.439
  785    HB2  LYS  50           HB2      LYS  50  74.498 -20.725  75.740
  786    HB3  LYS  50           HB1      LYS  50  73.869 -19.783  74.392
  787    HG2  LYS  50           HG2      LYS  50  76.394 -21.470  74.288
  788    HG3  LYS  50           HG1      LYS  50  74.823 -21.965  73.665
  789    HD2  LYS  50           HD2      LYS  50  74.835 -19.965  72.161
  790    HD3  LYS  50           HD1      LYS  50  76.466 -19.599  72.718
  791    HE2  LYS  50           HE2      LYS  50  77.375 -21.534  71.732
  792    HE3  LYS  50           HE1      LYS  50  75.799 -22.307  71.571
  793    HZ1  LYS  50           HZ1      LYS  50  75.620 -21.430  69.564
  794    HZ2  LYS  50           HZ2      LYS  50  77.130 -20.668  69.731
  795    HZ3  LYS  50           HZ3      LYS  50  75.713 -19.867  70.217
  796    H    THR  51           HN       THR  51  76.811 -17.145  76.605
  797    HA   THR  51           HA       THR  51  74.559 -16.943  78.536
  798    HB   THR  51           HB       THR  51  77.513 -17.078  79.212
  799    HG1  THR  51           HG1      THR  51  75.245 -18.682  79.719
  800   HG21  THR  51          HG21      THR  51  76.582 -16.878  81.607
  801   HG22  THR  51          HG22      THR  51  75.108 -16.262  80.861
  802   HG23  THR  51          HG23      THR  51  76.629 -15.394  80.654
  803    H    PHE  52           HN       PHE  52  73.795 -14.880  78.847
  804    HA   PHE  52           HA       PHE  52  75.428 -12.582  77.940
  805    HB2  PHE  52           HB2      PHE  52  72.467 -13.008  78.361
  806    HB3  PHE  52           HB1      PHE  52  73.175 -11.425  78.047
  807    HD1  PHE  52           HD2      PHE  52  72.896 -14.895  76.665
  808    HD2  PHE  52           HD1      PHE  52  73.610 -10.736  75.853
  809    HE1  PHE  52           HE2      PHE  52  72.775 -15.332  74.221
  810    HE2  PHE  52           HE1      PHE  52  73.473 -11.183  73.422
  811    HZ   PHE  52           HZ       PHE  52  73.053 -13.482  72.609
  812    H    THR  53           HN       THR  53  75.326 -10.621  79.360
  813    HA   THR  53           HA       THR  53  74.209 -10.970  82.021
  814    HB   THR  53           HB       THR  53  76.201 -10.617  83.301
  815    HG1  THR  53           HG1      THR  53  78.233 -10.711  81.917
  816   HG21  THR  53          HG21      THR  53  76.880 -12.724  81.232
  817   HG22  THR  53          HG22      THR  53  75.787 -12.969  82.583
  818   HG23  THR  53          HG23      THR  53  77.482 -12.637  82.886
  819    H    VAL  54           HN       VAL  54  73.369  -8.963  82.719
  820    HA   VAL  54           HA       VAL  54  74.405  -6.540  81.333
  821    HB   VAL  54           HB       VAL  54  72.058  -7.105  80.799
  822   HG11  VAL  54          HG11      VAL  54  71.463  -6.556  83.711
  823   HG12  VAL  54          HG12      VAL  54  71.664  -8.184  83.073
  824   HG13  VAL  54          HG13      VAL  54  70.358  -7.158  82.479
  825   HG21  VAL  54          HG21      VAL  54  72.222  -4.630  82.558
  826   HG22  VAL  54          HG22      VAL  54  71.157  -4.883  81.175
  827   HG23  VAL  54          HG23      VAL  54  72.895  -4.711  80.930
  828    H    THR  55           HN       THR  55  75.461  -5.096  82.589
  829    HA   THR  55           HA       THR  55  74.966  -5.097  85.518
  830    HB   THR  55           HB       THR  55  77.191  -6.124  84.613
  831    HG1  THR  55           HG1      THR  55  78.021  -4.345  86.421
  832   HG21  THR  55          HG21      THR  55  78.964  -4.616  84.109
  833   HG22  THR  55          HG22      THR  55  78.024  -3.215  84.624
  834   HG23  THR  55          HG23      THR  55  77.603  -4.061  83.138
  835    H    GLU  56           HN       GLU  56  74.187  -3.189  86.284
  836    HA   GLU  56           HA       GLU  56  74.785  -0.712  84.761
  837    HB2  GLU  56           HB2      GLU  56  72.743   0.081  86.268
  838    HB3  GLU  56           HB1      GLU  56  72.470  -0.825  84.781
  839    HG2  GLU  56           HG2      GLU  56  72.318  -2.910  86.029
  840    HG3  GLU  56           HG1      GLU  56  72.675  -2.066  87.535
  841    H1   MET   1           HT1      MET   1  41.106 -34.986  78.226
  842    H2   MET   1           HT2      MET   1  42.681 -35.245  77.643
  843    H3   MET   1           HT3      MET   1  41.995 -33.693  77.584
  844    HA   MET   1           HA       MET   1  42.495 -35.166  80.097
  845    HB2  MET   1           HB2      MET   1  44.704 -34.617  79.942
  846    HB3  MET   1           HB1      MET   1  44.404 -34.099  78.296
  847    HG2  MET   1           HG2      MET   1  43.700 -31.818  79.365
  848    HG3  MET   1           HG1      MET   1  44.509 -32.427  80.806
  849    HE1  MET   1           HE1      MET   1  45.716 -32.934  76.835
  850    HE2  MET   1           HE2      MET   1  46.079 -31.221  76.776
  851    HE3  MET   1           HE3      MET   1  44.465 -31.753  77.234
  852    H    GLN   2           HN       GLN   2  42.855 -33.126  81.783
  853    HA   GLN   2           HA       GLN   2  40.569 -31.279  81.346
  854    HB2  GLN   2           HB2      GLN   2  41.370 -32.790  83.840
  855    HB3  GLN   2           HB1      GLN   2  40.225 -31.450  83.838
  856    HG2  GLN   2           HG2      GLN   2  38.747 -32.651  82.325
  857    HG3  GLN   2           HG1      GLN   2  39.920 -33.958  82.164
  858   HE21  GLN   2          HE21      GLN   2  40.467 -33.499  85.317
  859   HE22  GLN   2          HE22      GLN   2  39.193 -34.370  86.027
  860    H    TYR   3           HN       TYR   3  40.790 -29.211  82.021
  861    HA   TYR   3           HA       TYR   3  43.432 -28.370  83.070
  862    HB2  TYR   3           HB2      TYR   3  41.464 -26.759  81.446
  863    HB3  TYR   3           HB1      TYR   3  43.072 -26.268  81.966
  864    HD1  TYR   3           HD1      TYR   3  45.095 -27.425  81.051
  865    HD2  TYR   3           HD2      TYR   3  41.133 -28.187  79.575
  866    HE1  TYR   3           HE1      TYR   3  46.043 -28.453  79.001
  867    HE2  TYR   3           HE2      TYR   3  42.097 -29.215  77.539
  868    HH   TYR   3           HH       TYR   3  43.926 -29.767  76.459
  869    H    LYS   4           HN       LYS   4  43.414 -26.934  84.763
  870    HA   LYS   4           HA       LYS   4  40.748 -26.414  85.982
  871    HB2  LYS   4           HB2      LYS   4  41.986 -28.037  87.292
  872    HB3  LYS   4           HB1      LYS   4  43.412 -27.006  87.293
  873    HG2  LYS   4           HG2      LYS   4  42.247 -25.320  88.624
  874    HG3  LYS   4           HG1      LYS   4  40.747 -26.240  88.540
  875    HD2  LYS   4           HD2      LYS   4  43.134 -27.718  89.601
  876    HD3  LYS   4           HD1      LYS   4  42.500 -26.437  90.631
  877    HE2  LYS   4           HE2      LYS   4  40.596 -28.433  89.432
  878    HE3  LYS   4           HE1      LYS   4  41.536 -28.868  90.860
  879    HZ1  LYS   4           HZ1      LYS   4  39.362 -26.980  90.584
  880    HZ2  LYS   4           HZ2      LYS   4  40.670 -26.430  91.520
  881    HZ3  LYS   4           HZ3      LYS   4  39.866 -27.866  91.940
  882    H    LEU   5           HN       LEU   5  40.227 -24.312  86.209
  883    HA   LEU   5           HA       LEU   5  42.401 -22.308  86.052
  884    HB2  LEU   5           HB2      LEU   5  40.777 -22.070  84.268
  885    HB3  LEU   5           HB1      LEU   5  39.457 -22.119  85.404
  886    HG   LEU   5           HG       LEU   5  40.238 -19.831  84.372
  887   HD11  LEU   5          HD11      LEU   5  39.606 -20.081  87.311
  888   HD12  LEU   5          HD12      LEU   5  38.450 -20.007  85.988
  889   HD13  LEU   5          HD13      LEU   5  39.466 -18.617  86.349
  890   HD21  LEU   5          HD21      LEU   5  42.643 -20.210  85.263
  891   HD22  LEU   5          HD22      LEU   5  41.983 -19.686  86.799
  892   HD23  LEU   5          HD23      LEU   5  41.923 -18.621  85.413
  893    H    ILE   6           HN       ILE   6  42.852 -21.139  87.833
  894    HA   ILE   6           HA       ILE   6  41.117 -21.464  90.201
  895    HB   ILE   6           HB       ILE   6  43.835 -20.143  90.037
  896   HG12  ILE   6          HG12      ILE   6  44.020 -22.471  89.270
  897   HG13  ILE   6          HG11      ILE   6  44.757 -22.285  90.857
  898   HG21  ILE   6          HG21      ILE   6  42.492 -19.552  91.981
  899   HG22  ILE   6          HG22      ILE   6  43.828 -20.594  92.473
  900   HG23  ILE   6          HG23      ILE   6  42.200 -21.257  92.328
  901   HD11  ILE   6          HD11      ILE   6  42.506 -23.086  91.800
  902   HD12  ILE   6          HD12      ILE   6  43.489 -24.285  90.966
  903   HD13  ILE   6          HD13      ILE   6  42.112 -23.553  90.149
  904    H    LEU   7           HN       LEU   7  39.939 -19.855  90.932
  905    HA   LEU   7           HA       LEU   7  39.963 -17.328  89.453
  906    HB2  LEU   7           HB2      LEU   7  38.060 -18.598  91.420
  907    HB3  LEU   7           HB1      LEU   7  37.935 -16.894  91.009
  908    HG   LEU   7           HG       LEU   7  38.050 -17.967  88.488
  909   HD11  LEU   7          HD11      LEU   7  36.612 -19.968  88.451
  910   HD12  LEU   7          HD12      LEU   7  36.613 -20.001  90.214
  911   HD13  LEU   7          HD13      LEU   7  38.111 -20.281  89.326
  912   HD21  LEU   7          HD21      LEU   7  36.339 -16.409  89.373
  913   HD22  LEU   7          HD22      LEU   7  35.561 -17.758  90.202
  914   HD23  LEU   7          HD23      LEU   7  35.611 -17.717  88.441
  915    H    ASN   8           HN       ASN   8  41.268 -15.828  90.116
  916    HA   ASN   8           HA       ASN   8  41.366 -15.149  92.977
  917    HB2  ASN   8           HB2      ASN   8  43.828 -14.481  92.368
  918    HB3  ASN   8           HB1      ASN   8  43.461 -16.157  92.770
  919   HD21  ASN   8          HD21      ASN   8  45.251 -14.451  90.619
  920   HD22  ASN   8          HD22      ASN   8  45.151 -15.473  89.268
  921    H    GLY   9           HN       GLY   9  39.808 -13.566  92.418
  922    HA2  GLY   9           HA2      GLY   9  40.836 -11.338  90.743
  923    HA3  GLY   9           HA1      GLY   9  39.140 -11.797  90.798
  924    H    LYS  10           HN       LYS  10  38.631  -9.644  91.441
  925    HA   LYS  10           HA       LYS  10  39.708  -8.549  93.842
  926    HB2  LYS  10           HB2      LYS  10  37.059  -7.710  92.655
  927    HB3  LYS  10           HB1      LYS  10  38.241  -6.728  93.522
  928    HG2  LYS  10           HG2      LYS  10  39.844  -7.385  91.537
  929    HG3  LYS  10           HG1      LYS  10  38.344  -7.749  90.687
  930    HD2  LYS  10           HD2      LYS  10  37.544  -5.432  91.261
  931    HD3  LYS  10           HD1      LYS  10  39.152  -5.096  91.903
  932    HE2  LYS  10           HE2      LYS  10  40.139  -5.632  89.699
  933    HE3  LYS  10           HE1      LYS  10  38.525  -5.939  89.058
  934    HZ1  LYS  10           HZ1      LYS  10  39.742  -3.392  89.881
  935    HZ2  LYS  10           HZ2      LYS  10  38.055  -3.573  89.953
  936    HZ3  LYS  10           HZ3      LYS  10  38.871  -3.759  88.473
  937    H    THR  11           HN       THR  11  36.496 -10.106  93.160
  938    HA   THR  11           HA       THR  11  36.434 -10.908  96.007
  939    HB   THR  11           HB       THR  11  33.919 -10.546  95.880
  940    HG1  THR  11           HG1      THR  11  34.111  -8.575  94.082
  941   HG21  THR  11          HG21      THR  11  35.888  -8.261  95.712
  942   HG22  THR  11          HG22      THR  11  35.298  -9.069  97.165
  943   HG23  THR  11          HG23      THR  11  34.209  -8.059  96.215
  944    H    LEU  12           HN       LEU  12  36.230 -11.822  92.749
  945    HA   LEU  12           HA       LEU  12  34.557 -14.140  93.242
  946    HB2  LEU  12           HB2      LEU  12  35.155 -12.556  90.999
  947    HB3  LEU  12           HB1      LEU  12  35.970 -14.078  90.659
  948    HG   LEU  12           HG       LEU  12  33.041 -13.672  91.312
  949   HD11  LEU  12          HD11      LEU  12  34.374 -14.883  88.876
  950   HD12  LEU  12          HD12      LEU  12  33.828 -13.206  88.970
  951   HD13  LEU  12          HD13      LEU  12  32.664 -14.521  89.085
  952   HD21  LEU  12          HD21      LEU  12  33.198 -15.729  92.280
  953   HD22  LEU  12          HD22      LEU  12  34.782 -16.058  91.584
  954   HD23  LEU  12          HD23      LEU  12  33.325 -16.337  90.635
  955    H    LYS  13           HN       LYS  13  35.448 -15.830  94.298
  956    HA   LYS  13           HA       LYS  13  38.054 -16.825  93.345
  957    HB2  LYS  13           HB2      LYS  13  37.342 -16.250  96.230
  958    HB3  LYS  13           HB1      LYS  13  38.617 -17.372  95.780
  959    HG2  LYS  13           HG2      LYS  13  39.984 -15.536  95.824
  960    HG3  LYS  13           HG1      LYS  13  39.303 -15.175  94.245
  961    HD2  LYS  13           HD2      LYS  13  37.405 -13.997  95.738
  962    HD3  LYS  13           HD1      LYS  13  38.722 -13.911  96.907
  963    HE2  LYS  13           HE2      LYS  13  38.911 -11.897  95.687
  964    HE3  LYS  13           HE1      LYS  13  40.118 -12.948  94.945
  965    HZ1  LYS  13           HZ1      LYS  13  37.443 -13.130  93.843
  966    HZ2  LYS  13           HZ2      LYS  13  38.942 -13.111  93.052
  967    HZ3  LYS  13           HZ3      LYS  13  38.236 -11.658  93.568
  968    H    GLY  14           HN       GLY  14  38.223 -18.939  93.180
  969    HA2  GLY  14           HA2      GLY  14  36.995 -20.950  94.625
  970    HA3  GLY  14           HA1      GLY  14  35.903 -20.583  93.289
  971    H    GLU  15           HN       GLU  15  36.339 -22.719  92.349
  972    HA   GLU  15           HA       GLU  15  38.935 -22.847  90.915
  973    HB2  GLU  15           HB2      GLU  15  37.318 -25.237  91.816
  974    HB3  GLU  15           HB1      GLU  15  38.902 -25.242  91.040
  975    HG2  GLU  15           HG2      GLU  15  38.376 -23.899  93.681
  976    HG3  GLU  15           HG1      GLU  15  38.904 -25.571  93.543
  977    H    THR  16           HN       THR  16  38.783 -23.950  88.817
  978    HA   THR  16           HA       THR  16  36.082 -24.372  87.769
  979    HB   THR  16           HB       THR  16  37.379 -22.842  85.753
  980    HG1  THR  16           HG1      THR  16  37.749 -21.895  88.359
  981   HG21  THR  16          HG21      THR  16  35.171 -22.100  87.669
  982   HG22  THR  16          HG22      THR  16  34.975 -22.932  86.127
  983   HG23  THR  16          HG23      THR  16  35.540 -21.261  86.164
  984    H    THR  17           HN       THR  17  36.029 -25.849  86.094
  985    HA   THR  17           HA       THR  17  38.586 -26.663  84.925
  986    HB   THR  17           HB       THR  17  36.854 -28.839  86.056
  987    HG1  THR  17           HG1      THR  17  38.405 -28.687  87.867
  988   HG21  THR  17          HG21      THR  17  38.868 -29.142  84.444
  989   HG22  THR  17          HG22      THR  17  38.814 -30.132  85.890
  990   HG23  THR  17          HG23      THR  17  39.857 -28.715  85.838
  991    H    THR  18           HN       THR  18  38.422 -28.086  83.140
  992    HA   THR  18           HA       THR  18  35.848 -28.606  81.953
  993    HB   THR  18           HB       THR  18  36.460 -26.195  81.352
  994    HG1  THR  18           HG1      THR  18  36.351 -27.899  79.111
  995   HG21  THR  18          HG21      THR  18  38.236 -25.762  79.895
  996   HG22  THR  18          HG22      THR  18  38.369 -27.448  79.398
  997   HG23  THR  18          HG23      THR  18  38.941 -26.953  80.990
  998    H    GLU  19           HN       GLU  19  36.031 -30.056  80.164
  999    HA   GLU  19           HA       GLU  19  38.558 -31.600  80.141
 1000    HB2  GLU  19           HB2      GLU  19  36.418 -32.756  80.758
 1001    HB3  GLU  19           HB1      GLU  19  35.788 -32.358  79.164
 1002    HG2  GLU  19           HG2      GLU  19  36.600 -34.502  78.765
 1003    HG3  GLU  19           HG1      GLU  19  38.013 -33.553  78.325
 1004    H    ALA  20           HN       ALA  20  39.862 -31.020  78.509
 1005    HA   ALA  20           HA       ALA  20  38.763 -30.845  75.785
 1006    HB1  ALA  20           HB1      ALA  20  39.882 -28.594  77.327
 1007    HB2  ALA  20           HB2      ALA  20  38.919 -28.567  75.856
 1008    HB3  ALA  20           HB3      ALA  20  40.659 -28.815  75.761
 1009    H    VAL  21           HN       VAL  21  40.422 -30.957  74.144
 1010    HA   VAL  21           HA       VAL  21  42.484 -32.877  74.827
 1011    HB   VAL  21           HB       VAL  21  41.475 -33.402  72.777
 1012   HG11  VAL  21          HG11      VAL  21  40.066 -31.492  72.483
 1013   HG12  VAL  21          HG12      VAL  21  41.063 -31.586  71.033
 1014   HG13  VAL  21          HG13      VAL  21  41.446 -30.415  72.288
 1015   HG21  VAL  21          HG21      VAL  21  43.632 -31.556  71.727
 1016   HG22  VAL  21          HG22      VAL  21  43.137 -33.132  71.109
 1017   HG23  VAL  21          HG23      VAL  21  44.037 -33.023  72.620
 1018    H    ASP  22           HN       ASP  22  42.129 -29.568  73.680
 1019    HA   ASP  22           HA       ASP  22  45.059 -29.177  73.911
 1020    HB2  ASP  22           HB2      ASP  22  43.118 -27.292  72.601
 1021    HB3  ASP  22           HB1      ASP  22  44.868 -27.373  72.412
 1022    H    ALA  23           HN       ALA  23  45.891 -27.315  74.827
 1023    HA   ALA  23           HA       ALA  23  44.591 -26.497  77.253
 1024    HB1  ALA  23           HB1      ALA  23  47.163 -25.722  75.887
 1025    HB2  ALA  23           HB2      ALA  23  46.952 -26.706  77.332
 1026    HB3  ALA  23           HB3      ALA  23  46.622 -24.976  77.387
 1027    H    ALA  24           HN       ALA  24  45.510 -24.872  74.224
 1028    HA   ALA  24           HA       ALA  24  44.557 -22.310  74.900
 1029    HB1  ALA  24           HB1      ALA  24  46.045 -22.774  72.955
 1030    HB2  ALA  24           HB2      ALA  24  44.627 -21.828  72.504
 1031    HB3  ALA  24           HB3      ALA  24  44.692 -23.551  72.133
 1032    H    THR  25           HN       THR  25  42.778 -25.137  73.379
 1033    HA   THR  25           HA       THR  25  40.405 -23.704  72.808
 1034    HB   THR  25           HB       THR  25  41.169 -26.127  72.068
 1035    HG1  THR  25           HG1      THR  25  38.748 -26.548  71.957
 1036   HG21  THR  25          HG21      THR  25  40.403 -27.957  73.304
 1037   HG22  THR  25          HG22      THR  25  39.174 -27.006  74.139
 1038   HG23  THR  25          HG23      THR  25  40.866 -26.860  74.604
 1039    H    ALA  26           HN       ALA  26  41.600 -25.241  75.746
 1040    HA   ALA  26           HA       ALA  26  39.141 -25.191  77.185
 1041    HB1  ALA  26           HB1      ALA  26  40.385 -25.946  79.023
 1042    HB2  ALA  26           HB2      ALA  26  41.839 -25.089  78.516
 1043    HB3  ALA  26           HB3      ALA  26  41.323 -26.538  77.654
 1044    H    GLU  27           HN       GLU  27  41.776 -22.964  76.775
 1045    HA   GLU  27           HA       GLU  27  41.117 -21.116  78.812
 1046    HB2  GLU  27           HB2      GLU  27  43.047 -20.111  78.136
 1047    HB3  GLU  27           HB1      GLU  27  43.214 -21.457  77.016
 1048    HG2  GLU  27           HG2      GLU  27  41.880 -20.110  75.334
 1049    HG3  GLU  27           HG1      GLU  27  41.975 -18.749  76.443
 1050    H    LYS  28           HN       LYS  28  39.958 -21.513  75.527
 1051    HA   LYS  28           HA       LYS  28  38.965 -18.952  75.055
 1052    HB2  LYS  28           HB2      LYS  28  37.770 -21.612  74.236
 1053    HB3  LYS  28           HB1      LYS  28  37.323 -20.050  73.551
 1054    HG2  LYS  28           HG2      LYS  28  39.826 -19.756  73.024
 1055    HG3  LYS  28           HG1      LYS  28  39.974 -21.481  73.355
 1056    HD2  LYS  28           HD2      LYS  28  38.262 -20.159  71.226
 1057    HD3  LYS  28           HD1      LYS  28  39.625 -21.249  70.975
 1058    HE2  LYS  28           HE2      LYS  28  38.227 -22.980  72.344
 1059    HE3  LYS  28           HE1      LYS  28  36.864 -21.915  72.035
 1060    HZ1  LYS  28           HZ1      LYS  28  38.259 -23.732  70.146
 1061    HZ2  LYS  28           HZ2      LYS  28  37.851 -22.218  69.495
 1062    HZ3  LYS  28           HZ3      LYS  28  36.639 -23.222  70.132
 1063    H    VAL  29           HN       VAL  29  37.473 -21.675  76.753
 1064    HA   VAL  29           HA       VAL  29  35.035 -20.296  77.305
 1065    HB   VAL  29           HB       VAL  29  36.193 -22.601  78.876
 1066   HG11  VAL  29          HG11      VAL  29  33.763 -23.145  79.119
 1067   HG12  VAL  29          HG12      VAL  29  33.377 -21.645  78.277
 1068   HG13  VAL  29          HG13      VAL  29  34.194 -21.595  79.839
 1069   HG21  VAL  29          HG21      VAL  29  36.327 -23.202  76.527
 1070   HG22  VAL  29          HG22      VAL  29  34.698 -22.591  76.236
 1071   HG23  VAL  29          HG23      VAL  29  34.936 -24.029  77.228
 1072    H    PHE  30           HN       PHE  30  37.882 -21.077  79.299
 1073    HA   PHE  30           HA       PHE  30  37.086 -19.771  81.637
 1074    HB2  PHE  30           HB2      PHE  30  39.860 -20.307  80.608
 1075    HB3  PHE  30           HB1      PHE  30  39.471 -19.821  82.245
 1076    HD1  PHE  30           HD1      PHE  30  37.223 -21.394  83.119
 1077    HD2  PHE  30           HD2      PHE  30  40.436 -22.559  80.501
 1078    HE1  PHE  30           HE1      PHE  30  36.848 -23.764  83.699
 1079    HE2  PHE  30           HE2      PHE  30  40.059 -24.920  81.103
 1080    HZ   PHE  30           HZ       PHE  30  38.265 -25.528  82.703
 1081    H    LYS  31           HN       LYS  31  39.120 -18.501  78.959
 1082    HA   LYS  31           HA       LYS  31  39.585 -16.024  80.291
 1083    HB2  LYS  31           HB2      LYS  31  39.933 -16.981  77.461
 1084    HB3  LYS  31           HB1      LYS  31  40.035 -15.254  77.795
 1085    HG2  LYS  31           HG2      LYS  31  41.734 -15.855  79.626
 1086    HG3  LYS  31           HG1      LYS  31  41.774 -17.467  78.912
 1087    HD2  LYS  31           HD2      LYS  31  42.482 -16.536  76.775
 1088    HD3  LYS  31           HD1      LYS  31  42.314 -14.899  77.398
 1089    HE2  LYS  31           HE2      LYS  31  44.092 -15.250  78.988
 1090    HE3  LYS  31           HE1      LYS  31  44.181 -16.965  78.579
 1091    HZ1  LYS  31           HZ1      LYS  31  45.493 -14.837  77.347
 1092    HZ2  LYS  31           HZ2      LYS  31  44.379 -15.461  76.225
 1093    HZ3  LYS  31           HZ3      LYS  31  45.544 -16.480  76.927
 1094    H    GLN  32           HN       GLN  32  37.245 -17.003  77.798
 1095    HA   GLN  32           HA       GLN  32  35.979 -14.468  77.628
 1096    HB2  GLN  32           HB2      GLN  32  35.834 -16.383  75.973
 1097    HB3  GLN  32           HB1      GLN  32  34.720 -17.158  77.098
 1098    HG2  GLN  32           HG2      GLN  32  33.373 -15.947  75.525
 1099    HG3  GLN  32           HG1      GLN  32  33.338 -15.032  77.031
 1100   HE21  GLN  32          HE21      GLN  32  33.613 -12.790  76.702
 1101   HE22  GLN  32          HE22      GLN  32  34.552 -12.109  75.462
 1102    H    TYR  33           HN       TYR  33  35.595 -17.276  79.676
 1103    HA   TYR  33           HA       TYR  33  33.117 -16.585  80.851
 1104    HB2  TYR  33           HB2      TYR  33  33.828 -18.839  80.982
 1105    HB3  TYR  33           HB1      TYR  33  35.406 -18.366  81.606
 1106    HD1  TYR  33           HD2      TYR  33  31.822 -18.668  82.403
 1107    HD2  TYR  33           HD1      TYR  33  35.753 -17.828  83.914
 1108    HE1  TYR  33           HE2      TYR  33  30.965 -18.828  84.725
 1109    HE2  TYR  33           HE1      TYR  33  34.896 -17.989  86.233
 1110    HH   TYR  33           HH       TYR  33  33.149 -18.651  87.504
 1111    H    ALA  34           HN       ALA  34  36.497 -15.968  81.732
 1112    HA   ALA  34           HA       ALA  34  36.062 -14.927  84.297
 1113    HB1  ALA  34           HB1      ALA  34  38.318 -14.527  84.269
 1114    HB2  ALA  34           HB2      ALA  34  38.243 -13.652  82.738
 1115    HB3  ALA  34           HB3      ALA  34  38.272 -15.414  82.748
 1116    H    ASN  35           HN       ASN  35  35.848 -13.324  81.072
 1117    HA   ASN  35           HA       ASN  35  35.562 -10.708  82.156
 1118    HB2  ASN  35           HB2      ASN  35  36.169 -11.550  79.728
 1119    HB3  ASN  35           HB1      ASN  35  34.422 -11.516  79.495
 1120   HD21  ASN  35          HD21      ASN  35  35.950  -9.638  77.982
 1121   HD22  ASN  35          HD22      ASN  35  35.720  -8.082  78.620
 1122    H    ASP  36           HN       ASP  36  33.336 -13.251  81.070
 1123    HA   ASP  36           HA       ASP  36  30.936 -11.797  81.411
 1124    HB2  ASP  36           HB2      ASP  36  31.163 -14.788  81.615
 1125    HB3  ASP  36           HB1      ASP  36  29.849 -13.821  80.942
 1126    H    ASN  37           HN       ASN  37  32.930 -13.537  83.748
 1127    HA   ASN  37           HA       ASN  37  30.712 -13.620  85.652
 1128    HB2  ASN  37           HB2      ASN  37  32.059 -15.041  86.941
 1129    HB3  ASN  37           HB1      ASN  37  32.328 -15.511  85.270
 1130   HD21  ASN  37          HD21      ASN  37  34.350 -16.344  86.803
 1131   HD22  ASN  37          HD22      ASN  37  35.705 -15.327  86.704
 1132    H    GLY  38           HN       GLY  38  33.561 -11.618  85.044
 1133    HA2  GLY  38           HA2      GLY  38  33.230  -9.349  86.074
 1134    HA3  GLY  38           HA1      GLY  38  33.027 -10.187  87.600
 1135    H    VAL  39           HN       VAL  39  35.346 -12.083  86.672
 1136    HA   VAL  39           HA       VAL  39  37.487 -10.241  87.582
 1137    HB   VAL  39           HB       VAL  39  37.301 -11.989  89.134
 1138   HG11  VAL  39          HG11      VAL  39  37.154 -13.920  86.808
 1139   HG12  VAL  39          HG12      VAL  39  35.799 -13.412  87.805
 1140   HG13  VAL  39          HG13      VAL  39  37.101 -14.356  88.515
 1141   HG21  VAL  39          HG21      VAL  39  39.641 -11.659  88.182
 1142   HG22  VAL  39          HG22      VAL  39  39.359 -13.101  87.215
 1143   HG23  VAL  39          HG23      VAL  39  39.362 -13.209  88.971
 1144    H    ASP  40           HN       ASP  40  38.634  -9.423  85.961
 1145    HA   ASP  40           HA       ASP  40  39.734 -11.275  83.925
 1146    HB2  ASP  40           HB2      ASP  40  38.909 -10.038  82.200
 1147    HB3  ASP  40           HB1      ASP  40  37.902  -9.218  83.382
 1148    H    GLY  41           HN       GLY  41  41.908 -11.467  84.438
 1149    HA2  GLY  41           HA2      GLY  41  43.405  -8.952  84.894
 1150    HA3  GLY  41           HA1      GLY  41  43.536 -10.241  86.077
 1151    H    GLU  42           HN       GLU  42  45.854 -10.387  85.673
 1152    HA   GLU  42           HA       GLU  42  46.826 -10.974  83.070
 1153    HB2  GLU  42           HB2      GLU  42  48.358 -11.610  85.565
 1154    HB3  GLU  42           HB1      GLU  42  48.936 -10.958  84.034
 1155    HG2  GLU  42           HG2      GLU  42  47.341  -9.497  86.157
 1156    HG3  GLU  42           HG1      GLU  42  48.998  -9.172  85.660
 1157    H    TRP  43           HN       TRP  43  47.647 -13.021  82.366
 1158    HA   TRP  43           HA       TRP  43  46.424 -15.337  83.769
 1159    HB2  TRP  43           HB2      TRP  43  46.696 -14.746  80.836
 1160    HB3  TRP  43           HB1      TRP  43  46.177 -16.300  81.484
 1161    HD1  TRP  43           HD1      TRP  43  44.988 -12.624  81.229
 1162    HE1  TRP  43           HE1      TRP  43  42.442 -12.609  81.650
 1163    HE3  TRP  43           HE3      TRP  43  44.323 -17.485  82.484
 1164    HZ2  TRP  43           HZ2      TRP  43  40.389 -14.462  82.395
 1165    HZ3  TRP  43           HZ3      TRP  43  42.088 -18.349  83.028
 1166    HH2  TRP  43           HH2      TRP  43  40.113 -16.855  82.989
 1167    H    THR  44           HN       THR  44  47.407 -17.093  83.923
 1168    HA   THR  44           HA       THR  44  49.993 -17.584  82.678
 1169    HB   THR  44           HB       THR  44  50.726 -17.427  84.859
 1170    HG1  THR  44           HG1      THR  44  50.644 -19.703  84.085
 1171   HG21  THR  44          HG21      THR  44  47.956 -18.303  85.647
 1172   HG22  THR  44          HG22      THR  44  48.610 -16.667  85.768
 1173   HG23  THR  44          HG23      THR  44  49.264 -17.954  86.779
 1174    H    TYR  45           HN       TYR  45  50.422 -19.977  82.188
 1175    HA   TYR  45           HA       TYR  45  47.971 -21.535  82.592
 1176    HB2  TYR  45           HB2      TYR  45  47.538 -20.965  80.360
 1177    HB3  TYR  45           HB1      TYR  45  49.236 -21.128  79.904
 1178    HD1  TYR  45           HD1      TYR  45  47.014 -23.397  81.961
 1179    HD2  TYR  45           HD2      TYR  45  49.424 -22.939  78.434
 1180    HE1  TYR  45           HE1      TYR  45  46.782 -25.800  81.495
 1181    HE2  TYR  45           HE2      TYR  45  49.176 -25.356  77.963
 1182    HH   TYR  45           HH       TYR  45  47.473 -27.495  80.231
 1183    H    ASP  46           HN       ASP  46  48.593 -23.095  83.821
 1184    HA   ASP  46           HA       ASP  46  51.290 -24.086  83.465
 1185    HB2  ASP  46           HB2      ASP  46  50.291 -23.797  85.808
 1186    HB3  ASP  46           HB1      ASP  46  49.228 -25.152  85.405
 1187    H    ASP  47           HN       ASP  47  51.660 -25.412  81.851
 1188    HA   ASP  47           HA       ASP  47  49.501 -27.306  81.086
 1189    HB2  ASP  47           HB2      ASP  47  51.036 -25.845  79.434
 1190    HB3  ASP  47           HB1      ASP  47  52.118 -27.224  79.630
 1191    H    ALA  48           HN       ALA  48  52.210 -26.880  82.869
 1192    HA   ALA  48           HA       ALA  48  53.447 -29.416  82.748
 1193    HB1  ALA  48           HB1      ALA  48  54.859 -28.463  84.362
 1194    HB2  ALA  48           HB2      ALA  48  53.560 -27.510  85.077
 1195    HB3  ALA  48           HB3      ALA  48  54.247 -27.037  83.522
 1196    H    THR  49           HN       THR  49  50.726 -28.054  84.484
 1197    HA   THR  49           HA       THR  49  50.081 -30.619  85.774
 1198    HB   THR  49           HB       THR  49  49.006 -29.034  87.604
 1199    HG1  THR  49           HG1      THR  49  49.403 -27.050  86.962
 1200   HG21  THR  49          HG21      THR  49  50.741 -30.566  88.201
 1201   HG22  THR  49          HG22      THR  49  51.193 -28.989  88.849
 1202   HG23  THR  49          HG23      THR  49  51.960 -29.593  87.380
 1203    H    LYS  50           HN       LYS  50  49.293 -28.437  83.437
 1204    HA   LYS  50           HA       LYS  50  47.369 -27.886  82.317
 1205    HB2  LYS  50           HB2      LYS  50  45.948 -30.047  83.871
 1206    HB3  LYS  50           HB1      LYS  50  45.631 -29.485  82.230
 1207    HG2  LYS  50           HG2      LYS  50  48.124 -30.975  83.116
 1208    HG3  LYS  50           HG1      LYS  50  46.772 -31.682  82.236
 1209    HD2  LYS  50           HD2      LYS  50  47.167 -30.021  80.400
 1210    HD3  LYS  50           HD1      LYS  50  48.602 -29.471  81.262
 1211    HE2  LYS  50           HE2      LYS  50  49.705 -31.542  81.002
 1212    HE3  LYS  50           HE1      LYS  50  48.222 -32.371  80.532
 1213    HZ1  LYS  50           HZ1      LYS  50  48.655 -31.870  78.436
 1214    HZ2  LYS  50           HZ2      LYS  50  50.073 -31.054  78.894
 1215    HZ3  LYS  50           HZ3      LYS  50  48.599 -30.214  78.800
 1216    H    THR  51           HN       THR  51  47.903 -26.198  84.379
 1217    HA   THR  51           HA       THR  51  45.191 -25.672  85.462
 1218    HB   THR  51           HB       THR  51  47.763 -25.652  87.072
 1219    HG1  THR  51           HG1      THR  51  45.307 -27.034  87.180
 1220   HG21  THR  51          HG21      THR  51  46.236 -24.848  88.941
 1221   HG22  THR  51          HG22      THR  51  45.046 -24.468  87.697
 1222   HG23  THR  51          HG23      THR  51  46.604 -23.642  87.707
 1223    H    PHE  52           HN       PHE  52  44.456 -23.615  85.108
 1224    HA   PHE  52           HA       PHE  52  46.351 -21.530  84.213
 1225    HB2  PHE  52           HB2      PHE  52  43.366 -21.911  83.953
 1226    HB3  PHE  52           HB1      PHE  52  44.197 -20.441  83.455
 1227    HD1  PHE  52           HD2      PHE  52  44.156 -24.161  82.924
 1228    HD2  PHE  52           HD1      PHE  52  45.094 -20.289  81.306
 1229    HE1  PHE  52           HE2      PHE  52  44.571 -25.172  80.687
 1230    HE2  PHE  52           HE1      PHE  52  45.480 -21.308  79.084
 1231    HZ   PHE  52           HZ       PHE  52  45.214 -23.747  78.778
 1232    H    THR  53           HN       THR  53  45.993 -19.308  85.105
 1233    HA   THR  53           HA       THR  53  44.156 -19.084  87.352
 1234    HB   THR  53           HB       THR  53  45.673 -18.451  89.053
 1235    HG1  THR  53           HG1      THR  53  48.051 -18.708  88.248
 1236   HG21  THR  53          HG21      THR  53  46.980 -20.821  87.690
 1237   HG22  THR  53          HG22      THR  53  45.549 -20.909  88.704
 1238   HG23  THR  53          HG23      THR  53  47.080 -20.408  89.401
 1239    H    VAL  54           HN       VAL  54  43.225 -17.006  87.334
 1240    HA   VAL  54           HA       VAL  54  44.667 -14.950  85.763
 1241    HB   VAL  54           HB       VAL  54  42.520 -15.678  84.777
 1242   HG11  VAL  54          HG11      VAL  54  41.241 -14.417  87.209
 1243   HG12  VAL  54          HG12      VAL  54  41.477 -16.155  87.047
 1244   HG13  VAL  54          HG13      VAL  54  40.442 -15.293  85.907
 1245   HG21  VAL  54          HG21      VAL  54  42.389 -12.843  85.866
 1246   HG22  VAL  54          HG22      VAL  54  41.689 -13.434  84.359
 1247   HG23  VAL  54          HG23      VAL  54  43.441 -13.328  84.536
 1248    H    THR  55           HN       THR  55  45.359 -13.177  86.813
 1249    HA   THR  55           HA       THR  55  44.169 -12.502  89.446
 1250    HB   THR  55           HB       THR  55  46.549 -13.596  89.355
 1251    HG1  THR  55           HG1      THR  55  46.890 -11.396  90.842
 1252   HG21  THR  55          HG21      THR  55  48.381 -12.119  88.966
 1253   HG22  THR  55          HG22      THR  55  47.329 -10.710  88.873
 1254   HG23  THR  55          HG23      THR  55  47.312 -11.913  87.586
 1255    H    GLU  56           HN       GLU  56  43.263 -10.498  89.524
 1256    HA   GLU  56           HA       GLU  56  44.224  -8.442  87.608
 1257    HB2  GLU  56           HB2      GLU  56  41.871  -7.431  88.321
 1258    HB3  GLU  56           HB1      GLU  56  41.977  -8.685  87.087
 1259    HG2  GLU  56           HG2      GLU  56  41.505 -10.411  88.736
 1260    HG3  GLU  56           HG1      GLU  56  41.488  -9.210  90.028
 1261    H1   MET   1           HT1      MET   1  64.122 -16.464  99.435
 1262    H2   MET   1           HT2      MET   1  62.484 -16.618  99.020
 1263    H3   MET   1           HT3      MET   1  63.411 -18.001  99.350
 1264    HA   MET   1           HA       MET   1  62.913 -15.878 101.334
 1265    HB2  MET   1           HB2      MET   1  60.814 -16.687 101.638
 1266    HB3  MET   1           HB1      MET   1  61.035 -17.659 100.208
 1267    HG2  MET   1           HG2      MET   1  62.152 -19.404 101.778
 1268    HG3  MET   1           HG1      MET   1  61.463 -18.456 103.095
 1269    HE1  MET   1           HE1      MET   1  59.529 -19.193  99.475
 1270    HE2  MET   1           HE2      MET   1  59.579 -20.897  99.839
 1271    HE3  MET   1           HE3      MET   1  61.076 -19.969  99.818
 1272    H    GLN   2           HN       GLN   2  63.037 -17.190 103.559
 1273    HA   GLN   2           HA       GLN   2  65.467 -18.883 103.430
 1274    HB2  GLN   2           HB2      GLN   2  64.785 -16.639 105.338
 1275    HB3  GLN   2           HB1      GLN   2  66.084 -17.799 105.619
 1276    HG2  GLN   2           HG2      GLN   2  67.215 -17.110 103.585
 1277    HG3  GLN   2           HG1      GLN   2  65.867 -16.064 103.142
 1278   HE21  GLN   2          HE21      GLN   2  65.702 -15.317 106.268
 1279   HE22  GLN   2          HE22      GLN   2  66.928 -14.153 106.426
 1280    H    TYR   3           HN       TYR   3  65.562 -20.597 104.723
 1281    HA   TYR   3           HA       TYR   3  63.234 -21.195 106.457
 1282    HB2  TYR   3           HB2      TYR   3  65.137 -23.148 105.163
 1283    HB3  TYR   3           HB1      TYR   3  63.681 -23.522 106.082
 1284    HD1  TYR   3           HD1      TYR   3  61.443 -22.999 105.174
 1285    HD2  TYR   3           HD2      TYR   3  65.038 -22.346 102.913
 1286    HE1  TYR   3           HE1      TYR   3  60.108 -22.818 103.092
 1287    HE2  TYR   3           HE2      TYR   3  63.697 -22.152 100.841
 1288    HH   TYR   3           HH       TYR   3  61.694 -22.334  99.939
 1289    H    LYS   4           HN       LYS   4  63.700 -21.916 108.513
 1290    HA   LYS   4           HA       LYS   4  66.560 -21.735 109.320
 1291    HB2  LYS   4           HB2      LYS   4  65.299 -19.855 110.185
 1292    HB3  LYS   4           HB1      LYS   4  64.050 -20.928 110.804
 1293    HG2  LYS   4           HG2      LYS   4  65.624 -21.904 112.405
 1294    HG3  LYS   4           HG1      LYS   4  66.942 -20.942 111.740
 1295    HD2  LYS   4           HD2      LYS   4  64.526 -19.400 112.625
 1296    HD3  LYS   4           HD1      LYS   4  65.461 -20.159 113.909
 1297    HE2  LYS   4           HE2      LYS   4  66.895 -18.577 111.791
 1298    HE3  LYS   4           HE1      LYS   4  66.091 -17.736 113.119
 1299    HZ1  LYS   4           HZ1      LYS   4  68.462 -19.389 113.148
 1300    HZ2  LYS   4           HZ2      LYS   4  67.373 -19.694 114.416
 1301    HZ3  LYS   4           HZ3      LYS   4  68.000 -18.131 114.188
 1302    H    LEU   5           HN       LEU   5  67.415 -23.549 110.168
 1303    HA   LEU   5           HA       LEU   5  65.568 -25.655 111.120
 1304    HB2  LEU   5           HB2      LEU   5  66.964 -26.369 109.266
 1305    HB3  LEU   5           HB1      LEU   5  68.397 -25.790 110.069
 1306    HG   LEU   5           HG       LEU   5  67.841 -28.357 110.036
 1307   HD11  LEU   5          HD11      LEU   5  68.799 -26.995 112.552
 1308   HD12  LEU   5          HD12      LEU   5  69.774 -27.453 111.161
 1309   HD13  LEU   5          HD13      LEU   5  69.021 -28.694 112.155
 1310   HD21  LEU   5          HD21      LEU   5  65.540 -27.905 111.129
 1311   HD22  LEU   5          HD22      LEU   5  66.454 -27.765 112.621
 1312   HD23  LEU   5          HD23      LEU   5  66.500 -29.254 111.704
 1313    H    ILE   6           HN       ILE   6  65.538 -26.131 113.244
 1314    HA   ILE   6           HA       ILE   6  67.505 -24.804 115.006
 1315    HB   ILE   6           HB       ILE   6  65.019 -26.340 115.799
 1316   HG12  ILE   6          HG12      ILE   6  64.371 -24.478 114.338
 1317   HG13  ILE   6          HG11      ILE   6  63.914 -24.132 116.003
 1318   HG21  ILE   6          HG21      ILE   6  66.695 -26.052 117.550
 1319   HG22  ILE   6          HG22      ILE   6  65.286 -25.047 117.891
 1320   HG23  ILE   6          HG23      ILE   6  66.752 -24.319 117.237
 1321   HD11  ILE   6          HD11      ILE   6  66.150 -22.865 116.158
 1322   HD12  ILE   6          HD12      ILE   6  64.877 -22.129 115.192
 1323   HD13  ILE   6          HD13      ILE   6  66.197 -22.984 114.401
 1324    H    LEU   7           HN       LEU   7  68.995 -25.926 116.025
 1325    HA   LEU   7           HA       LEU   7  69.149 -28.808 115.529
 1326    HB2  LEU   7           HB2      LEU   7  71.085 -26.742 116.570
 1327    HB3  LEU   7           HB1      LEU   7  71.408 -28.459 116.755
 1328    HG   LEU   7           HG       LEU   7  70.798 -28.391 114.082
 1329   HD11  LEU   7          HD11      LEU   7  71.910 -26.420 113.104
 1330   HD12  LEU   7          HD12      LEU   7  72.135 -25.748 114.719
 1331   HD13  LEU   7          HD13      LEU   7  70.509 -25.947 114.066
 1332   HD21  LEU   7          HD21      LEU   7  72.825 -29.358 115.137
 1333   HD22  LEU   7          HD22      LEU   7  73.501 -27.735 115.280
 1334   HD23  LEU   7          HD23      LEU   7  73.214 -28.432 113.688
 1335    H    ASN   8           HN       ASN   8  68.176 -30.076 116.887
 1336    HA   ASN   8           HA       ASN   8  68.544 -29.668 119.777
 1337    HB2  ASN   8           HB2      ASN   8  66.152 -30.726 119.876
 1338    HB3  ASN   8           HB1      ASN   8  66.316 -28.997 119.579
 1339   HD21  ASN   8          HD21      ASN   8  64.522 -31.522 118.533
 1340   HD22  ASN   8          HD22      ASN   8  64.306 -31.089 116.907
 1341    H    GLY   9           HN       GLY   9  70.232 -31.196 119.548
 1342    HA2  GLY   9           HA2      GLY   9  69.337 -33.965 118.954
 1343    HA3  GLY   9           HA1      GLY   9  70.942 -33.364 118.554
 1344    H    LYS  10           HN       LYS  10  71.838 -35.075 119.803
 1345    HA   LYS  10           HA       LYS  10  71.253 -35.306 122.585
 1346    HB2  LYS  10           HB2      LYS  10  73.811 -36.295 121.318
 1347    HB3  LYS  10           HB1      LYS  10  72.902 -36.991 122.661
 1348    HG2  LYS  10           HG2      LYS  10  70.977 -37.235 120.878
 1349    HG3  LYS  10           HG1      LYS  10  72.288 -37.081 119.710
 1350    HD2  LYS  10           HD2      LYS  10  73.470 -38.957 120.900
 1351    HD3  LYS  10           HD1      LYS  10  72.025 -39.169 121.888
 1352    HE2  LYS  10           HE2      LYS  10  70.687 -39.565 119.851
 1353    HE3  LYS  10           HE1      LYS  10  72.132 -39.360 118.863
 1354    HZ1  LYS  10           HZ1      LYS  10  71.438 -41.543 120.706
 1355    HZ2  LYS  10           HZ2      LYS  10  73.073 -41.191 120.408
 1356    HZ3  LYS  10           HZ3      LYS  10  72.046 -41.626 119.126
 1357    H    THR  11           HN       THR  11  74.078 -33.836 120.838
 1358    HA   THR  11           HA       THR  11  74.417 -32.049 123.171
 1359    HB   THR  11           HB       THR  11  76.915 -32.214 122.726
 1360    HG1  THR  11           HG1      THR  11  76.765 -34.715 121.785
 1361   HG21  THR  11          HG21      THR  11  75.299 -34.565 123.713
 1362   HG22  THR  11          HG22      THR  11  75.949 -33.233 124.666
 1363   HG23  THR  11          HG23      THR  11  77.039 -34.418 123.947
 1364    H    LEU  12           HN       LEU  12  74.041 -32.374 119.814
 1365    HA   LEU  12           HA       LEU  12  75.406 -29.897 119.171
 1366    HB2  LEU  12           HB2      LEU  12  74.756 -32.236 117.756
 1367    HB3  LEU  12           HB1      LEU  12  73.687 -31.022 117.062
 1368    HG   LEU  12           HG       LEU  12  76.703 -30.895 117.284
 1369   HD11  LEU  12          HD11      LEU  12  74.894 -30.782 114.858
 1370   HD12  LEU  12          HD12      LEU  12  75.691 -32.253 115.425
 1371   HD13  LEU  12          HD13      LEU  12  76.652 -30.885 114.871
 1372   HD21  LEU  12          HD21      LEU  12  76.370 -28.651 117.497
 1373   HD22  LEU  12          HD22      LEU  12  74.678 -28.744 117.016
 1374   HD23  LEU  12          HD23      LEU  12  75.944 -28.698 115.792
 1375    H    LYS  13           HN       LYS  13  74.428 -28.024 119.716
 1376    HA   LYS  13           HA       LYS  13  71.602 -27.679 118.956
 1377    HB2  LYS  13           HB2      LYS  13  72.768 -27.098 121.687
 1378    HB3  LYS  13           HB1      LYS  13  71.296 -26.332 121.109
 1379    HG2  LYS  13           HG2      LYS  13  70.226 -28.136 122.028
 1380    HG3  LYS  13           HG1      LYS  13  70.734 -28.987 120.576
 1381    HD2  LYS  13           HD2      LYS  13  72.967 -29.371 122.023
 1382    HD3  LYS  13           HD1      LYS  13  71.843 -29.143 123.363
 1383    HE2  LYS  13           HE2      LYS  13  71.786 -31.470 122.964
 1384    HE3  LYS  13           HE1      LYS  13  70.353 -30.871 122.126
 1385    HZ1  LYS  13           HZ1      LYS  13  72.807 -30.869 120.584
 1386    HZ2  LYS  13           HZ2      LYS  13  71.236 -31.302 120.119
 1387    HZ3  LYS  13           HZ3      LYS  13  72.205 -32.403 120.975
 1388    H    GLY  14           HN       GLY  14  71.108 -25.794 118.102
 1389    HA2  GLY  14           HA2      GLY  14  72.213 -23.295 118.522
 1390    HA3  GLY  14           HA1      GLY  14  73.159 -24.026 117.223
 1391    H    GLU  15           HN       GLU  15  72.294 -22.427 115.694
 1392    HA   GLU  15           HA       GLU  15  69.538 -23.062 114.790
 1393    HB2  GLU  15           HB2      GLU  15  70.887 -20.371 114.513
 1394    HB3  GLU  15           HB1      GLU  15  69.231 -20.794 114.078
 1395    HG2  GLU  15           HG2      GLU  15  70.300 -21.033 116.881
 1396    HG3  GLU  15           HG1      GLU  15  69.516 -19.581 116.273
 1397    H    THR  16           HN       THR  16  69.239 -22.795 112.455
 1398    HA   THR  16           HA       THR  16  71.677 -22.532 110.853
 1399    HB   THR  16           HB       THR  16  70.368 -24.803 109.753
 1400    HG1  THR  16           HG1      THR  16  70.483 -24.763 112.547
 1401   HG21  THR  16          HG21      THR  16  72.898 -24.588 111.381
 1402   HG22  THR  16          HG22      THR  16  72.757 -24.361 109.638
 1403   HG23  THR  16          HG23      THR  16  72.460 -25.948 110.348
 1404    H    THR  17           HN       THR  17  71.278 -21.766 108.792
 1405    HA   THR  17           HA       THR  17  68.493 -21.682 107.893
 1406    HB   THR  17           HB       THR  17  70.004 -19.087 107.876
 1407    HG1  THR  17           HG1      THR  17  68.773 -18.704 109.874
 1408   HG21  THR  17          HG21      THR  17  67.775 -19.588 106.642
 1409   HG22  THR  17          HG22      THR  17  67.856 -18.142 107.633
 1410   HG23  THR  17          HG23      THR  17  67.052 -19.581 108.248
 1411    H    THR  18           HN       THR  18  68.197 -21.003 105.735
 1412    HA   THR  18           HA       THR  18  70.471 -20.698 103.991
 1413    HB   THR  18           HB       THR  18  70.177 -23.209 104.376
 1414    HG1  THR  18           HG1      THR  18  69.702 -22.451 101.707
 1415   HG21  THR  18          HG21      THR  18  68.310 -24.322 103.524
 1416   HG22  THR  18          HG22      THR  18  67.847 -22.968 102.496
 1417   HG23  THR  18          HG23      THR  18  67.577 -22.883 104.236
 1418    H    GLU  19           HN       GLU  19  69.816 -20.038 101.870
 1419    HA   GLU  19           HA       GLU  19  67.106 -18.845 101.774
 1420    HB2  GLU  19           HB2      GLU  19  69.170 -17.401 101.518
 1421    HB3  GLU  19           HB1      GLU  19  69.531 -18.292 100.043
 1422    HG2  GLU  19           HG2      GLU  19  68.348 -16.526  99.122
 1423    HG3  GLU  19           HG1      GLU  19  67.008 -17.624  99.436
 1424    H    ALA  20           HN       ALA  20  65.625 -19.925 100.551
 1425    HA   ALA  20           HA       ALA  20  66.445 -21.119  98.013
 1426    HB1  ALA  20           HB1      ALA  20  65.935 -22.685 100.451
 1427    HB2  ALA  20           HB2      ALA  20  66.645 -23.207  98.926
 1428    HB3  ALA  20           HB3      ALA  20  64.894 -23.177  99.115
 1429    H    VAL  21           HN       VAL  21  64.641 -21.801  96.736
 1430    HA   VAL  21           HA       VAL  21  62.381 -20.025  97.027
 1431    HB   VAL  21           HB       VAL  21  63.014 -20.230  94.787
 1432   HG11  VAL  21          HG11      VAL  21  64.724 -21.854  94.974
 1433   HG12  VAL  21          HG12      VAL  21  63.578 -22.520  93.815
 1434   HG13  VAL  21          HG13      VAL  21  63.590 -23.105  95.475
 1435   HG21  VAL  21          HG21      VAL  21  61.165 -22.624  94.870
 1436   HG22  VAL  21          HG22      VAL  21  61.264 -21.364  93.645
 1437   HG23  VAL  21          HG23      VAL  21  60.559 -21.010  95.219
 1438    H    ASP  22           HN       ASP  22  63.119 -23.477  97.118
 1439    HA   ASP  22           HA       ASP  22  60.335 -24.007  97.985
 1440    HB2  ASP  22           HB2      ASP  22  62.368 -26.088  97.246
 1441    HB3  ASP  22           HB1      ASP  22  60.613 -26.225  97.293
 1442    H    ALA  23           HN       ALA  23  59.872 -25.301  99.688
 1443    HA   ALA  23           HA       ALA  23  61.579 -25.029 101.986
 1444    HB1  ALA  23           HB1      ALA  23  58.983 -26.516 101.542
 1445    HB2  ALA  23           HB2      ALA  23  59.177 -24.927 102.284
 1446    HB3  ALA  23           HB3      ALA  23  59.785 -26.364 103.103
 1447    H    ALA  24           HN       ALA  24  60.551 -27.694  99.882
 1448    HA   ALA  24           HA       ALA  24  61.883 -29.753 101.312
 1449    HB1  ALA  24           HB1      ALA  24  60.101 -30.207  99.649
 1450    HB2  ALA  24           HB2      ALA  24  61.573 -31.108  99.287
 1451    HB3  ALA  24           HB3      ALA  24  61.175 -29.660  98.361
 1452    H    THR  25           HN       THR  25  63.046 -27.633  98.535
 1453    HA   THR  25           HA       THR  25  65.489 -28.997  98.136
 1454    HB   THR  25           HB       THR  25  64.357 -27.112  96.686
 1455    HG1  THR  25           HG1      THR  25  66.637 -26.583  96.018
 1456   HG21  THR  25          HG21      THR  25  64.971 -24.890  97.045
 1457   HG22  THR  25          HG22      THR  25  66.435 -25.331  97.923
 1458   HG23  THR  25          HG23      THR  25  64.867 -25.443  98.715
 1459    H    ALA  26           HN       ALA  26  64.519 -26.568 100.489
 1460    HA   ALA  26           HA       ALA  26  67.133 -25.877 101.382
 1461    HB1  ALA  26           HB1      ALA  26  66.056 -24.624 103.050
 1462    HB2  ALA  26           HB2      ALA  26  64.686 -25.729 103.131
 1463    HB3  ALA  26           HB3      ALA  26  64.866 -24.647 101.750
 1464    H    GLU  27           HN       GLU  27  64.824 -28.327 102.242
 1465    HA   GLU  27           HA       GLU  27  66.015 -29.251 104.634
 1466    HB2  GLU  27           HB2      GLU  27  64.175 -30.591 104.696
 1467    HB3  GLU  27           HB1      GLU  27  63.670 -29.768 103.225
 1468    HG2  GLU  27           HG2      GLU  27  64.950 -31.516 101.912
 1469    HG3  GLU  27           HG1      GLU  27  65.203 -32.378 103.423
 1470    H    LYS  28           HN       LYS  28  66.651 -29.976 101.260
 1471    HA   LYS  28           HA       LYS  28  67.935 -32.434 101.537
 1472    HB2  LYS  28           HB2      LYS  28  68.592 -30.166  99.640
 1473    HB3  LYS  28           HB1      LYS  28  69.182 -31.820  99.476
 1474    HG2  LYS  28           HG2      LYS  28  66.716 -32.534  99.540
 1475    HG3  LYS  28           HG1      LYS  28  66.336 -30.833  99.287
 1476    HD2  LYS  28           HD2      LYS  28  67.934 -32.652  97.455
 1477    HD3  LYS  28           HD1      LYS  28  66.393 -31.867  97.105
 1478    HE2  LYS  28           HE2      LYS  28  67.658 -29.629  97.510
 1479    HE3  LYS  28           HE1      LYS  28  69.129 -30.582  97.369
 1480    HZ1  LYS  28           HZ1      LYS  28  67.252 -29.751  95.226
 1481    HZ2  LYS  28           HZ2      LYS  28  67.812 -31.348  95.089
 1482    HZ3  LYS  28           HZ3      LYS  28  68.919 -30.061  95.121
 1483    H    VAL  29           HN       VAL  29  69.235 -29.160 101.885
 1484    HA   VAL  29           HA       VAL  29  71.901 -30.028 102.425
 1485    HB   VAL  29           HB       VAL  29  70.643 -27.421 103.291
 1486   HG11  VAL  29          HG11      VAL  29  72.980 -26.614 102.887
 1487   HG12  VAL  29          HG12      VAL  29  73.461 -28.281 102.571
 1488   HG13  VAL  29          HG13      VAL  29  72.877 -27.819 104.170
 1489   HG21  VAL  29          HG21      VAL  29  70.111 -27.743 100.938
 1490   HG22  VAL  29          HG22      VAL  29  71.766 -28.246 100.595
 1491   HG23  VAL  29          HG23      VAL  29  71.429 -26.578 101.060
 1492    H    PHE  30           HN       PHE  30  69.274 -28.830 104.507
 1493    HA   PHE  30           HA       PHE  30  70.561 -29.125 106.968
 1494    HB2  PHE  30           HB2      PHE  30  67.625 -29.249 106.330
 1495    HB3  PHE  30           HB1      PHE  30  68.297 -29.072 107.938
 1496    HD1  PHE  30           HD1      PHE  30  70.394 -27.089 107.786
 1497    HD2  PHE  30           HD2      PHE  30  66.698 -27.249 105.585
 1498    HE1  PHE  30           HE1      PHE  30  70.482 -24.647 107.444
 1499    HE2  PHE  30           HE2      PHE  30  66.792 -24.807 105.266
 1500    HZ   PHE  30           HZ       PHE  30  68.683 -23.500 106.194
 1501    H    LYS  31           HN       LYS  31  68.399 -31.451 105.286
 1502    HA   LYS  31           HA       LYS  31  68.474 -33.307 107.448
 1503    HB2  LYS  31           HB2      LYS  31  67.622 -33.478 104.569
 1504    HB3  LYS  31           HB1      LYS  31  67.809 -34.966 105.492
 1505    HG2  LYS  31           HG2      LYS  31  66.301 -33.876 107.271
 1506    HG3  LYS  31           HG1      LYS  31  65.933 -32.658 106.049
 1507    HD2  LYS  31           HD2      LYS  31  65.091 -34.378 104.543
 1508    HD3  LYS  31           HD1      LYS  31  65.578 -35.641 105.665
 1509    HE2  LYS  31           HE2      LYS  31  63.996 -34.873 107.319
 1510    HE3  LYS  31           HE1      LYS  31  63.596 -33.459 106.342
 1511    HZ1  LYS  31           HZ1      LYS  31  62.484 -36.019 106.211
 1512    HZ2  LYS  31           HZ2      LYS  31  63.314 -35.741 104.754
 1513    HZ3  LYS  31           HZ3      LYS  31  62.107 -34.661 105.266
 1514    H    GLN  32           HN       GLN  32  70.307 -33.091 104.411
 1515    HA   GLN  32           HA       GLN  32  71.884 -35.400 104.909
 1516    HB2  GLN  32           HB2      GLN  32  71.525 -34.221 102.694
 1517    HB3  GLN  32           HB1      GLN  32  72.664 -32.998 103.260
 1518    HG2  GLN  32           HG2      GLN  32  73.937 -34.588 101.992
 1519    HG3  GLN  32           HG1      GLN  32  74.308 -34.880 103.691
 1520   HE21  GLN  32          HE21      GLN  32  74.315 -37.101 104.214
 1521   HE22  GLN  32          HE22      GLN  32  73.317 -38.263 103.482
 1522    H    TYR  33           HN       TYR  33  72.134 -32.015 105.748
 1523    HA   TYR  33           HA       TYR  33  74.820 -32.002 106.623
 1524    HB2  TYR  33           HB2      TYR  33  73.802 -29.931 106.102
 1525    HB3  TYR  33           HB1      TYR  33  72.412 -30.290 107.123
 1526    HD1  TYR  33           HD2      TYR  33  75.986 -29.387 107.116
 1527    HD2  TYR  33           HD1      TYR  33  72.459 -29.980 109.496
 1528    HE1  TYR  33           HE2      TYR  33  77.109 -28.315 109.051
 1529    HE2  TYR  33           HE1      TYR  33  73.582 -28.909 111.428
 1530    HH   TYR  33           HH       TYR  33  75.365 -27.692 112.073
 1531    H    ALA  34           HN       ALA  34  71.728 -32.551 108.276
 1532    HA   ALA  34           HA       ALA  34  72.676 -32.548 110.911
 1533    HB1  ALA  34           HB1      ALA  34  70.526 -33.135 111.446
 1534    HB2  ALA  34           HB2      ALA  34  70.499 -34.470 110.292
 1535    HB3  ALA  34           HB3      ALA  34  70.229 -32.817 109.739
 1536    H    ASN  35           HN       ASN  35  72.646 -35.197 108.459
 1537    HA   ASN  35           HA       ASN  35  73.450 -37.202 110.310
 1538    HB2  ASN  35           HB2      ASN  35  72.407 -37.359 107.888
 1539    HB3  ASN  35           HB1      ASN  35  74.093 -37.325 107.375
 1540   HD21  ASN  35          HD21      ASN  35  72.612 -39.747 106.925
 1541   HD22  ASN  35          HD22      ASN  35  73.167 -40.939 107.998
 1542    H    ASP  36           HN       ASP  36  75.111 -35.041 108.042
 1543    HA   ASP  36           HA       ASP  36  77.725 -36.047 108.427
 1544    HB2  ASP  36           HB2      ASP  36  77.081 -33.222 107.628
 1545    HB3  ASP  36           HB1      ASP  36  78.427 -34.238 107.109
 1546    H    ASN  37           HN       ASN  37  75.820 -33.763 110.337
 1547    HA   ASN  37           HA       ASN  37  78.237 -32.795 111.671
 1548    HB2  ASN  37           HB2      ASN  37  76.879 -31.128 112.606
 1549    HB3  ASN  37           HB1      ASN  37  76.319 -31.329 110.954
 1550   HD21  ASN  37          HD21      ASN  37  74.421 -30.179 112.435
 1551   HD22  ASN  37          HD22      ASN  37  73.233 -31.279 112.943
 1552    H    GLY  38           HN       GLY  38  75.661 -35.133 112.309
 1553    HA2  GLY  38           HA2      GLY  38  76.463 -36.831 113.981
 1554    HA3  GLY  38           HA1      GLY  38  76.743 -35.479 115.062
 1555    H    VAL  39           HN       VAL  39  74.068 -34.263 113.983
 1556    HA   VAL  39           HA       VAL  39  72.367 -35.834 115.838
 1557    HB   VAL  39           HB       VAL  39  72.504 -33.628 116.623
 1558   HG11  VAL  39          HG11      VAL  39  72.036 -32.687 113.784
 1559   HG12  VAL  39          HG12      VAL  39  73.571 -32.659 114.637
 1560   HG13  VAL  39          HG13      VAL  39  72.246 -31.648 115.192
 1561   HG21  VAL  39          HG21      VAL  39  70.133 -34.493 116.313
 1562   HG22  VAL  39          HG22      VAL  39  70.049 -33.509 114.858
 1563   HG23  VAL  39          HG23      VAL  39  70.279 -32.741 116.423
 1564    H    ASP  40           HN       ASP  40  71.143 -37.290 114.837
 1565    HA   ASP  40           HA       ASP  40  69.509 -36.415 112.523
 1566    HB2  ASP  40           HB2      ASP  40  70.249 -38.123 111.210
 1567    HB3  ASP  40           HB1      ASP  40  71.533 -38.352 112.386
 1568    H    GLY  41           HN       GLY  41  67.421 -36.249 113.331
 1569    HA2  GLY  41           HA2      GLY  41  66.413 -38.547 114.907
 1570    HA3  GLY  41           HA1      GLY  41  66.265 -36.931 115.577
 1571    H    GLU  42           HN       GLU  42  63.902 -37.192 115.605
 1572    HA   GLU  42           HA       GLU  42  62.522 -37.668 113.169
 1573    HB2  GLU  42           HB2      GLU  42  61.209 -36.365 115.533
 1574    HB3  GLU  42           HB1      GLU  42  60.575 -37.580 114.430
 1575    HG2  GLU  42           HG2      GLU  42  62.641 -38.002 116.603
 1576    HG3  GLU  42           HG1      GLU  42  61.003 -38.647 116.556
 1577    H    TRP  43           HN       TRP  43  61.688 -36.233 111.789
 1578    HA   TRP  43           HA       TRP  43  62.537 -33.430 112.088
 1579    HB2  TRP  43           HB2      TRP  43  61.857 -35.138 109.696
 1580    HB3  TRP  43           HB1      TRP  43  62.138 -33.397 109.600
 1581    HD1  TRP  43           HD1      TRP  43  63.977 -36.693 110.361
 1582    HE1  TRP  43           HE1      TRP  43  66.512 -36.236 110.300
 1583    HE3  TRP  43           HE3      TRP  43  63.928 -31.639 109.804
 1584    HZ2  TRP  43           HZ2      TRP  43  68.267 -34.025 110.009
 1585    HZ3  TRP  43           HZ3      TRP  43  66.042 -30.382 109.624
 1586    HH2  TRP  43           HH2      TRP  43  68.218 -31.561 109.725
 1587    H    THR  44           HN       THR  44  61.282 -31.836 111.182
 1588    HA   THR  44           HA       THR  44  58.443 -32.173 110.776
 1589    HB   THR  44           HB       THR  44  58.441 -32.057 113.203
 1590    HG1  THR  44           HG1      THR  44  57.661 -29.869 111.693
 1591   HG21  THR  44          HG21      THR  44  60.426 -29.831 112.739
 1592   HG22  THR  44          HG22      THR  44  60.534 -31.211 113.831
 1593   HG23  THR  44          HG23      THR  44  59.449 -29.874 114.204
 1594    H    TYR  45           HN       TYR  45  57.510 -30.051 110.000
 1595    HA   TYR  45           HA       TYR  45  59.460 -27.949 109.490
 1596    HB2  TYR  45           HB2      TYR  45  59.911 -29.255 107.554
 1597    HB3  TYR  45           HB1      TYR  45  58.199 -29.560 107.274
 1598    HD1  TYR  45           HD1      TYR  45  60.290 -26.487 107.922
 1599    HD2  TYR  45           HD2      TYR  45  57.356 -28.394 105.428
 1600    HE1  TYR  45           HE1      TYR  45  60.149 -24.453 106.529
 1601    HE2  TYR  45           HE2      TYR  45  57.218 -26.351 104.033
 1602    HH   TYR  45           HH       TYR  45  59.063 -23.427 104.876
 1603    H    ASP  46           HN       ASP  46  58.498 -26.126 109.937
 1604    HA   ASP  46           HA       ASP  46  55.578 -25.931 109.583
 1605    HB2  ASP  46           HB2      ASP  46  56.360 -25.249 111.804
 1606    HB3  ASP  46           HB1      ASP  46  57.513 -24.120 111.072
 1607    H    ASP  47           HN       ASP  47  55.018 -25.183 107.548
 1608    HA   ASP  47           HA       ASP  47  56.893 -23.588 106.005
 1609    HB2  ASP  47           HB2      ASP  47  55.332 -25.456 105.119
 1610    HB3  ASP  47           HB1      ASP  47  54.065 -24.235 105.189
 1611    H    ALA  48           HN       ALA  48  54.558 -22.988 108.296
 1612    HA   ALA  48           HA       ALA  48  53.512 -20.525 107.210
 1613    HB1  ALA  48           HB1      ALA  48  52.257 -20.389 109.190
 1614    HB2  ALA  48           HB2      ALA  48  53.432 -21.331 110.109
 1615    HB3  ALA  48           HB3      ALA  48  52.404 -22.124 108.917
 1616    H    THR  49           HN       THR  49  56.278 -21.506 109.169
 1617    HA   THR  49           HA       THR  49  57.104 -18.668 109.429
 1618    HB   THR  49           HB       THR  49  58.399 -19.580 111.524
 1619    HG1  THR  49           HG1      THR  49  58.018 -21.663 111.609
 1620   HG21  THR  49          HG21      THR  49  56.616 -17.936 111.701
 1621   HG22  THR  49          HG22      THR  49  56.439 -19.142 112.976
 1622   HG23  THR  49          HG23      THR  49  55.399 -19.204 111.552
 1623    H    LYS  50           HN       LYS  50  57.621 -21.237 107.622
 1624    HA   LYS  50           HA       LYS  50  59.441 -22.261 106.640
 1625    HB2  LYS  50           HB2      LYS  50  60.854 -19.625 107.022
 1626    HB3  LYS  50           HB1      LYS  50  60.957 -20.743 105.664
 1627    HG2  LYS  50           HG2      LYS  50  58.476 -19.151 106.401
 1628    HG3  LYS  50           HG1      LYS  50  59.615 -18.712 105.132
 1629    HD2  LYS  50           HD2      LYS  50  59.173 -20.928 104.045
 1630    HD3  LYS  50           HD1      LYS  50  57.919 -21.222 105.244
 1631    HE2  LYS  50           HE2      LYS  50  56.581 -19.441 104.450
 1632    HE3  LYS  50           HE1      LYS  50  57.916 -18.733 103.542
 1633    HZ1  LYS  50           HZ1      LYS  50  57.261 -19.902 101.801
 1634    HZ2  LYS  50           HZ2      LYS  50  56.052 -20.675 102.712
 1635    HZ3  LYS  50           HZ3      LYS  50  57.615 -21.334 102.638
 1636    H    THR  51           HN       THR  51  59.395 -23.101 109.193
 1637    HA   THR  51           HA       THR  51  62.245 -22.957 110.025
 1638    HB   THR  51           HB       THR  51  59.825 -22.812 111.848
 1639    HG1  THR  51           HG1      THR  51  61.950 -21.085 111.162
 1640   HG21  THR  51          HG21      THR  51  61.675 -22.630 113.638
 1641   HG22  THR  51          HG22      THR  51  62.754 -23.317 112.424
 1642   HG23  THR  51          HG23      THR  51  61.359 -24.239 112.986
 1643    H    PHE  52           HN       PHE  52  63.244 -24.928 110.223
 1644    HA   PHE  52           HA       PHE  52  61.590 -27.378 110.366
 1645    HB2  PHE  52           HB2      PHE  52  64.408 -26.802 109.446
 1646    HB3  PHE  52           HB1      PHE  52  63.789 -28.437 109.663
 1647    HD1  PHE  52           HD2      PHE  52  63.148 -25.218 107.856
 1648    HD2  PHE  52           HD1      PHE  52  62.540 -29.472 107.977
 1649    HE1  PHE  52           HE2      PHE  52  62.198 -25.168 105.559
 1650    HE2  PHE  52           HE1      PHE  52  61.611 -29.407 105.685
 1651    HZ   PHE  52           HZ       PHE  52  61.444 -27.254 104.478
 1652    H    THR  53           HN       THR  53  62.424 -29.101 111.842
 1653    HA   THR  53           HA       THR  53  64.500 -28.338 113.730
 1654    HB   THR  53           HB       THR  53  63.259 -28.513 115.754
 1655    HG1  THR  53           HG1      THR  53  60.837 -28.756 115.369
 1656   HG21  THR  53          HG21      THR  53  61.555 -26.835 113.893
 1657   HG22  THR  53          HG22      THR  53  63.058 -26.304 114.627
 1658   HG23  THR  53          HG23      THR  53  61.675 -26.667 115.643
 1659    H    VAL  54           HN       VAL  54  65.716 -30.197 114.250
 1660    HA   VAL  54           HA       VAL  54  64.406 -32.821 113.738
 1661    HB   VAL  54           HB       VAL  54  66.285 -32.278 112.210
 1662   HG11  VAL  54          HG11      VAL  54  68.037 -32.428 114.667
 1663   HG12  VAL  54          HG12      VAL  54  67.506 -30.904 113.964
 1664   HG13  VAL  54          HG13      VAL  54  68.518 -32.004 113.028
 1665   HG21  VAL  54          HG21      VAL  54  67.050 -34.495 114.141
 1666   HG22  VAL  54          HG22      VAL  54  67.386 -34.417 112.413
 1667   HG23  VAL  54          HG23      VAL  54  65.732 -34.648 112.979
 1668    H    THR  55           HN       THR  55  64.093 -34.101 115.479
 1669    HA   THR  55           HA       THR  55  65.726 -33.641 117.916
 1670    HB   THR  55           HB       THR  55  63.238 -32.834 117.887
 1671    HG1  THR  55           HG1      THR  55  63.433 -34.362 120.088
 1672   HG21  THR  55          HG21      THR  55  61.570 -34.461 118.383
 1673   HG22  THR  55          HG22      THR  55  62.770 -35.732 118.621
 1674   HG23  THR  55          HG23      THR  55  62.455 -35.109 117.004
 1675    H    GLU  56           HN       GLU  56  66.919 -35.382 118.512
 1676    HA   GLU  56           HA       GLU  56  65.999 -38.078 117.680
 1677    HB2  GLU  56           HB2      GLU  56  68.539 -38.555 118.320
 1678    HB3  GLU  56           HB1      GLU  56  68.112 -37.882 116.747
 1679    HG2  GLU  56           HG2      GLU  56  68.541 -35.621 117.557
 1680    HG3  GLU  56           HG1      GLU  56  68.899 -36.242 119.168
 1681    H1   MET   1           HT1      MET   1  54.180  16.763  96.451
 1682    H2   MET   1           HT2      MET   1  52.578  16.677  95.893
 1683    H3   MET   1           HT3      MET   1  53.423  15.256  96.282
 1684    HA   MET   1           HA       MET   1  52.825  17.381  98.246
 1685    HB2  MET   1           HB2      MET   1  50.673  16.638  98.365
 1686    HB3  MET   1           HB1      MET   1  50.989  15.658  96.949
 1687    HG2  MET   1           HG2      MET   1  51.920  13.895  98.655
 1688    HG3  MET   1           HG1      MET   1  51.055  14.852  99.853
 1689    HE1  MET   1           HE1      MET   1  49.859  13.966  95.958
 1690    HE2  MET   1           HE2      MET   1  49.596  12.306  96.447
 1691    HE3  MET   1           HE3      MET   1  51.173  13.044  96.697
 1692    H    GLN   2           HN       GLN   2  52.701  15.973 100.489
 1693    HA   GLN   2           HA       GLN   2  55.118  14.246 100.536
 1694    HB2  GLN   2           HB2      GLN   2  54.279  16.421 102.465
 1695    HB3  GLN   2           HB1      GLN   2  55.543  15.241 102.807
 1696    HG2  GLN   2           HG2      GLN   2  56.849  16.009 100.910
 1697    HG3  GLN   2           HG1      GLN   2  55.550  17.090 100.406
 1698   HE21  GLN   2          HE21      GLN   2  55.113  17.693 103.531
 1699   HE22  GLN   2          HE22      GLN   2  56.333  18.827 103.858
 1700    H    TYR   3           HN       TYR   3  55.105  12.514 101.880
 1701    HA   TYR   3           HA       TYR   3  52.578  11.888 103.297
 1702    HB2  TYR   3           HB2      TYR   3  54.616   9.959 102.189
 1703    HB3  TYR   3           HB1      TYR   3  53.068   9.565 102.934
 1704    HD1  TYR   3           HD1      TYR   3  50.937  10.162 101.809
 1705    HD2  TYR   3           HD2      TYR   3  54.761  10.751  99.943
 1706    HE1  TYR   3           HE1      TYR   3  49.831  10.369  99.600
 1707    HE2  TYR   3           HE2      TYR   3  53.649  10.968  97.740
 1708    HH   TYR   3           HH       TYR   3  51.747  10.920  96.641
 1709    H    LYS   4           HN       LYS   4  52.775  11.112 105.374
 1710    HA   LYS   4           HA       LYS   4  55.513  11.236 106.538
 1711    HB2  LYS   4           HB2      LYS   4  54.174  13.111 107.293
 1712    HB3  LYS   4           HB1      LYS   4  52.848  12.038 107.728
 1713    HG2  LYS   4           HG2      LYS   4  54.204  11.001 109.480
 1714    HG3  LYS   4           HG1      LYS   4  55.608  11.954 109.001
 1715    HD2  LYS   4           HD2      LYS   4  53.130  13.521 109.631
 1716    HD3  LYS   4           HD1      LYS   4  53.890  12.713 110.998
 1717    HE2  LYS   4           HE2      LYS   4  55.592  14.319 109.108
 1718    HE3  LYS   4           HE1      LYS   4  54.652  15.140 110.354
 1719    HZ1  LYS   4           HZ1      LYS   4  56.976  13.443 110.616
 1720    HZ2  LYS   4           HZ2      LYS   4  55.740  13.123 111.737
 1721    HZ3  LYS   4           HZ3      LYS   4  56.413  14.679 111.632
 1722    H    LEU   5           HN       LEU   5  56.230   9.384 107.434
 1723    HA   LEU   5           HA       LEU   5  54.246   7.287 108.097
 1724    HB2  LEU   5           HB2      LEU   5  55.839   6.591 106.401
 1725    HB3  LEU   5           HB1      LEU   5  57.178   7.122 107.380
 1726    HG   LEU   5           HG       LEU   5  56.585   4.566 107.211
 1727   HD11  LEU   5          HD11      LEU   5  57.278   5.853 109.851
 1728   HD12  LEU   5          HD12      LEU   5  58.394   5.393 108.571
 1729   HD13  LEU   5          HD13      LEU   5  57.502   4.156 109.450
 1730   HD21  LEU   5          HD21      LEU   5  54.181   5.035 108.051
 1731   HD22  LEU   5          HD22      LEU   5  54.923   5.117 109.641
 1732   HD23  LEU   5          HD23      LEU   5  55.048   3.652 108.691
 1733    H    ILE   6           HN       ILE   6  53.959   6.759 110.191
 1734    HA   ILE   6           HA       ILE   6  55.723   8.009 112.207
 1735    HB   ILE   6           HB       ILE   6  53.142   6.495 112.661
 1736   HG12  ILE   6          HG12      ILE   6  52.699   8.402 111.180
 1737   HG13  ILE   6          HG11      ILE   6  52.047   8.712 112.785
 1738   HG21  ILE   6          HG21      ILE   6  54.596   6.710 114.605
 1739   HG22  ILE   6          HG22      ILE   6  53.175   7.737 114.801
 1740   HG23  ILE   6          HG23      ILE   6  54.722   8.450 114.346
 1741   HD11  ILE   6          HD11      ILE   6  54.258   9.945 113.247
 1742   HD12  ILE   6          HD12      ILE   6  53.123  10.720 112.148
 1743   HD13  ILE   6          HD13      ILE   6  54.522   9.866 111.506
 1744    H    LEU   7           HN       LEU   7  57.068   6.837 113.369
 1745    HA   LEU   7           HA       LEU   7  57.231   3.965 112.820
 1746    HB2  LEU   7           HB2      LEU   7  59.069   5.962 114.133
 1747    HB3  LEU   7           HB1      LEU   7  59.338   4.235 114.307
 1748    HG   LEU   7           HG       LEU   7  59.035   4.392 111.580
 1749   HD11  LEU   7          HD11      LEU   7  60.312   6.353 110.802
 1750   HD12  LEU   7          HD12      LEU   7  60.362   6.971 112.453
 1751   HD13  LEU   7          HD13      LEU   7  58.820   6.841 111.607
 1752   HD21  LEU   7          HD21      LEU   7  60.899   3.331 112.834
 1753   HD22  LEU   7          HD22      LEU   7  61.604   4.927 113.093
 1754   HD23  LEU   7          HD23      LEU   7  61.474   4.276 111.461
 1755    H    ASN   8           HN       ASN   8  56.090   2.680 114.021
 1756    HA   ASN   8           HA       ASN   8  56.120   3.009 116.944
 1757    HB2  ASN   8           HB2      ASN   8  53.717   1.992 116.731
 1758    HB3  ASN   8           HB1      ASN   8  53.939   3.726 116.505
 1759   HD21  ASN   8          HD21      ASN   8  52.252   1.253 115.183
 1760   HD22  ASN   8          HD22      ASN   8  52.233   1.736 113.556
 1761    H    GLY   9           HN       GLY   9  57.798   1.453 116.878
 1762    HA2  GLY   9           HA2      GLY   9  56.936  -1.282 116.105
 1763    HA3  GLY   9           HA1      GLY   9  58.585  -0.703 115.914
 1764    H    LYS  10           HN       LYS  10  59.307  -2.455 117.213
 1765    HA   LYS  10           HA       LYS  10  58.391  -2.749 119.899
 1766    HB2  LYS  10           HB2      LYS  10  61.065  -3.753 118.915
 1767    HB3  LYS  10           HB1      LYS  10  59.995  -4.464 120.125
 1768    HG2  LYS  10           HG2      LYS  10  58.287  -4.635 118.127
 1769    HG3  LYS  10           HG1      LYS  10  59.726  -4.471 117.121
 1770    HD2  LYS  10           HD2      LYS  10  60.740  -6.393 118.391
 1771    HD3  LYS  10           HD1      LYS  10  59.186  -6.610 119.196
 1772    HE2  LYS  10           HE2      LYS  10  58.094  -6.929 117.002
 1773    HE3  LYS  10           HE1      LYS  10  59.653  -6.729 116.202
 1774    HZ1  LYS  10           HZ1      LYS  10  58.692  -8.944 117.877
 1775    HZ2  LYS  10           HZ2      LYS  10  60.358  -8.612 117.821
 1776    HZ3  LYS  10           HZ3      LYS  10  59.517  -8.994 116.395
 1777    H    THR  11           HN       THR  11  61.424  -1.289 118.538
 1778    HA   THR  11           HA       THR  11  61.511   0.434 120.942
 1779    HB   THR  11           HB       THR  11  64.042   0.235 120.790
 1780    HG1  THR  11           HG1      THR  11  63.956  -2.241 119.768
 1781   HG21  THR  11          HG21      THR  11  62.289  -2.116 121.515
 1782   HG22  THR  11          HG22      THR  11  62.830  -0.814 122.573
 1783   HG23  THR  11          HG23      THR  11  63.990  -1.995 121.964
 1784    H    LEU  12           HN       LEU  12  61.530   0.198 117.557
 1785    HA   LEU  12           HA       LEU  12  62.998   2.663 117.143
 1786    HB2  LEU  12           HB2      LEU  12  62.484   0.370 115.603
 1787    HB3  LEU  12           HB1      LEU  12  61.522   1.619 114.819
 1788    HG   LEU  12           HG       LEU  12  64.493   1.684 115.395
 1789   HD11  LEU  12          HD11      LEU  12  62.983   1.888 112.778
 1790   HD12  LEU  12          HD12      LEU  12  63.682   0.389 113.398
 1791   HD13  LEU  12          HD13      LEU  12  64.724   1.749 112.994
 1792   HD21  LEU  12          HD21      LEU  12  64.173   3.929 115.626
 1793   HD22  LEU  12          HD22      LEU  12  62.548   3.880 114.945
 1794   HD23  LEU  12          HD23      LEU  12  63.952   3.929 113.882
 1795    H    LYS  13           HN       LYS  13  61.988   4.538 117.623
 1796    HA   LYS  13           HA       LYS  13  59.280   4.953 116.538
 1797    HB2  LYS  13           HB2      LYS  13  60.119   5.447 119.404
 1798    HB3  LYS  13           HB1      LYS  13  58.737   6.251 118.675
 1799    HG2  LYS  13           HG2      LYS  13  57.539   4.443 119.409
 1800    HG3  LYS  13           HG1      LYS  13  58.207   3.620 118.007
 1801    HD2  LYS  13           HD2      LYS  13  60.243   3.164 119.704
 1802    HD3  LYS  13           HD1      LYS  13  58.967   3.378 120.903
 1803    HE2  LYS  13           HE2      LYS  13  58.929   1.062 120.436
 1804    HE3  LYS  13           HE1      LYS  13  57.615   1.706 119.451
 1805    HZ1  LYS  13           HZ1      LYS  13  60.236   1.708 118.213
 1806    HZ2  LYS  13           HZ2      LYS  13  58.727   1.311 117.552
 1807    HZ3  LYS  13           HZ3      LYS  13  59.573   0.174 118.488
 1808    H    GLY  14           HN       GLY  14  58.917   6.867 115.685
 1809    HA2  GLY  14           HA2      GLY  14  60.000   9.336 116.300
 1810    HA3  GLY  14           HA1      GLY  14  61.082   8.621 115.102
 1811    H    GLU  15           HN       GLU  15  60.426  10.272 113.528
 1812    HA   GLU  15           HA       GLU  15  57.787   9.711 112.288
 1813    HB2  GLU  15           HB2      GLU  15  59.208  12.379 112.245
 1814    HB3  GLU  15           HB1      GLU  15  57.609  12.003 111.602
 1815    HG2  GLU  15           HG2      GLU  15  58.327  11.672 114.506
 1816    HG3  GLU  15           HG1      GLU  15  57.647  13.155 113.847
 1817    H    THR  16           HN       THR  16  57.774  10.041 109.939
 1818    HA   THR  16           HA       THR  16  60.391  10.288 108.650
 1819    HB   THR  16           HB       THR  16  59.197   8.079 107.328
 1820    HG1  THR  16           HG1      THR  16  58.945   8.029 110.116
 1821   HG21  THR  16          HG21      THR  16  61.485   8.184 109.291
 1822   HG22  THR  16          HG22      THR  16  61.589   8.466 107.554
 1823   HG23  THR  16          HG23      THR  16  61.166   6.866 108.165
 1824    H    THR  17           HN       THR  17  60.259  11.098 106.575
 1825    HA   THR  17           HA       THR  17  57.606  11.277 105.354
 1826    HB   THR  17           HB       THR  17  59.170  13.829 105.576
 1827    HG1  THR  17           HG1      THR  17  57.689  14.192 107.421
 1828   HG21  THR  17          HG21      THR  17  57.094  13.418 104.078
 1829   HG22  THR  17          HG22      THR  17  57.088  14.838 105.109
 1830   HG23  THR  17          HG23      THR  17  56.184  13.406 105.586
 1831    H    THR  18           HN       THR  18  57.593  12.015 103.188
 1832    HA   THR  18           HA       THR  18  60.077  12.279 101.748
 1833    HB   THR  18           HB       THR  18  59.662   9.772 102.024
 1834    HG1  THR  18           HG1      THR  18  59.537  10.633  99.343
 1835   HG21  THR  18          HG21      THR  18  57.877   8.743 100.911
 1836   HG22  THR  18          HG22      THR  18  57.570  10.151  99.897
 1837   HG23  THR  18          HG23      THR  18  57.111  10.175 101.599
 1838    H    GLU  19           HN       GLU  19  59.719  13.021  99.594
 1839    HA   GLU  19           HA       GLU  19  57.066  14.275  99.188
 1840    HB2  GLU  19           HB2      GLU  19  59.125  15.720  99.266
 1841    HB3  GLU  19           HB1      GLU  19  59.724  14.860  97.852
 1842    HG2  GLU  19           HG2      GLU  19  58.706  16.667  96.807
 1843    HG3  GLU  19           HG1      GLU  19  57.352  15.546  96.833
 1844    H    ALA  20           HN       ALA  20  55.782  13.059  97.931
 1845    HA   ALA  20           HA       ALA  20  56.837  12.028  95.377
 1846    HB1  ALA  20           HB1      ALA  20  55.909  10.408  97.657
 1847    HB2  ALA  20           HB2      ALA  20  56.833   9.913  96.243
 1848    HB3  ALA  20           HB3      ALA  20  55.077  10.016  96.153
 1849    H    VAL  21           HN       VAL  21  55.148  11.478  93.859
 1850    HA   VAL  21           HA       VAL  21  52.964  13.378  93.934
 1851    HB   VAL  21           HB       VAL  21  53.863  13.186  91.777
 1852   HG11  VAL  21          HG11      VAL  21  55.386  11.371  92.100
 1853   HG12  VAL  21          HG12      VAL  21  54.333  10.890  90.772
 1854   HG13  VAL  21          HG13      VAL  21  54.076  10.227  92.380
 1855   HG21  VAL  21          HG21      VAL  21  51.801  10.979  91.578
 1856   HG22  VAL  21          HG22      VAL  21  52.157  12.258  90.418
 1857   HG23  VAL  21          HG23      VAL  21  51.327  12.642  91.925
 1858    H    ASP  22           HN       ASP  22  53.506   9.893  94.022
 1859    HA   ASP  22           HA       ASP  22  50.617   9.463  94.544
 1860    HB2  ASP  22           HB2      ASP  22  52.635   7.342  93.857
 1861    HB3  ASP  22           HB1      ASP  22  50.878   7.258  93.758
 1862    H    ALA  23           HN       ALA  23  49.944   7.974  96.080
 1863    HA   ALA  23           HA       ALA  23  51.353   8.115  98.579
 1864    HB1  ALA  23           HB1      ALA  23  48.820   6.711  97.718
 1865    HB2  ALA  23           HB2      ALA  23  48.955   8.219  98.621
 1866    HB3  ALA  23           HB3      ALA  23  49.429   6.697  99.372
 1867    H    ALA  24           HN       ALA  24  50.508   5.507  96.315
 1868    HA   ALA  24           HA       ALA  24  51.678   3.399  97.790
 1869    HB1  ALA  24           HB1      ALA  24  50.089   3.041  95.911
 1870    HB2  ALA  24           HB2      ALA  24  51.575   2.112  95.709
 1871    HB3  ALA  24           HB3      ALA  24  51.327   3.592  94.782
 1872    H    THR  25           HN       THR  25  53.166   5.619  95.272
 1873    HA   THR  25           HA       THR  25  55.624   4.226  95.085
 1874    HB   THR  25           HB       THR  25  54.648   6.189  93.605
 1875    HG1  THR  25           HG1      THR  25  57.043   6.706  93.248
 1876   HG21  THR  25          HG21      THR  25  55.304   8.379  94.093
 1877   HG22  THR  25          HG22      THR  25  56.633   7.858  95.130
 1878   HG23  THR  25          HG23      THR  25  54.973   7.773  95.715
 1879    H    ALA  26           HN       ALA  26  54.416   6.584  97.402
 1880    HA   ALA  26           HA       ALA  26  56.923   7.238  98.578
 1881    HB1  ALA  26           HB1      ALA  26  55.683   8.426 100.193
 1882    HB2  ALA  26           HB2      ALA  26  54.288   7.361 100.035
 1883    HB3  ALA  26           HB3      ALA  26  54.676   8.502  98.748
 1884    H    GLU  27           HN       GLU  27  54.542   4.781  99.144
 1885    HA   GLU  27           HA       GLU  27  55.526   3.823 101.620
 1886    HB2  GLU  27           HB2      GLU  27  53.687   2.493 101.560
 1887    HB3  GLU  27           HB1      GLU  27  53.265   3.389 100.106
 1888    HG2  GLU  27           HG2      GLU  27  54.501   1.671  98.760
 1889    HG3  GLU  27           HG1      GLU  27  54.749   0.750 100.225
 1890    H    LYS  28           HN       LYS  28  56.399   3.110  98.305
 1891    HA   LYS  28           HA       LYS  28  57.650   0.645  98.606
 1892    HB2  LYS  28           HB2      LYS  28  58.487   3.040  96.949
 1893    HB3  LYS  28           HB1      LYS  28  59.162   1.426  96.761
 1894    HG2  LYS  28           HG2      LYS  28  56.741   0.636  96.457
 1895    HG3  LYS  28           HG1      LYS  28  56.329   2.334  96.256
 1896    HD2  LYS  28           HD2      LYS  28  58.180   0.648  94.547
 1897    HD3  LYS  28           HD1      LYS  28  56.697   1.460  94.050
 1898    HE2  LYS  28           HE2      LYS  28  57.868   3.669  94.688
 1899    HE3  LYS  28           HE1      LYS  28  59.355   2.737  94.780
 1900    HZ1  LYS  28           HZ1      LYS  28  57.881   3.624  92.371
 1901    HZ2  LYS  28           HZ2      LYS  28  58.431   2.021  92.286
 1902    HZ3  LYS  28           HZ3      LYS  28  59.536   3.283  92.539
 1903    H    VAL  29           HN       VAL  29  58.917   3.902  99.234
 1904    HA   VAL  29           HA       VAL  29  61.503   2.993 100.041
 1905    HB   VAL  29           HB       VAL  29  60.165   5.587 100.820
 1906   HG11  VAL  29          HG11      VAL  29  62.539   6.382 100.744
 1907   HG12  VAL  29          HG12      VAL  29  63.047   4.719 100.450
 1908   HG13  VAL  29          HG13      VAL  29  62.263   5.146 101.972
 1909   HG21  VAL  29          HG21      VAL  29  59.938   5.336  98.413
 1910   HG22  VAL  29          HG22      VAL  29  61.616   4.811  98.272
 1911   HG23  VAL  29          HG23      VAL  29  61.248   6.473  98.731
 1912    H    PHE  30           HN       PHE  30  58.681   4.168 101.864
 1913    HA   PHE  30           HA       PHE  30  59.705   3.794 104.435
 1914    HB2  PHE  30           HB2      PHE  30  56.846   3.748 103.518
 1915    HB3  PHE  30           HB1      PHE  30  57.365   3.874 105.184
 1916    HD1  PHE  30           HD1      PHE  30  59.475   5.817 105.309
 1917    HD2  PHE  30           HD2      PHE  30  56.044   5.781 102.712
 1918    HE1  PHE  30           HE1      PHE  30  59.630   8.269 105.054
 1919    HE2  PHE  30           HE2      PHE  30  56.203   8.230 102.476
 1920    HZ   PHE  30           HZ       PHE  30  57.995   9.479 103.646
 1921    H    LYS  31           HN       LYS  31  57.697   1.549 102.478
 1922    HA   LYS  31           HA       LYS  31  57.501  -0.315 104.636
 1923    HB2  LYS  31           HB2      LYS  31  56.660  -0.205 101.811
 1924    HB3  LYS  31           HB1      LYS  31  56.920  -1.818 102.428
 1925    HG2  LYS  31           HG2      LYS  31  55.275  -1.563 104.094
 1926    HG3  LYS  31           HG1      LYS  31  55.297   0.180 103.983
 1927    HD2  LYS  31           HD2      LYS  31  53.857   0.244 102.219
 1928    HD3  LYS  31           HD1      LYS  31  54.578  -1.162 101.448
 1929    HE2  LYS  31           HE2      LYS  31  53.181  -2.068 103.798
 1930    HE3  LYS  31           HE1      LYS  31  52.111  -1.031 102.863
 1931    HZ1  LYS  31           HZ1      LYS  31  52.521  -3.577 102.288
 1932    HZ2  LYS  31           HZ2      LYS  31  53.742  -2.877 101.335
 1933    HZ3  LYS  31           HZ3      LYS  31  52.121  -2.413 101.121
 1934    H    GLN  32           HN       GLN  32  59.676   0.027 101.886
 1935    HA   GLN  32           HA       GLN  32  61.057  -2.440 102.388
 1936    HB2  GLN  32           HB2      GLN  32  60.995  -1.201 100.189
 1937    HB3  GLN  32           HB1      GLN  32  62.064  -0.002 100.917
 1938    HG2  GLN  32           HG2      GLN  32  63.466  -1.573  99.757
 1939    HG3  GLN  32           HG1      GLN  32  63.645  -1.898 101.480
 1940   HE21  GLN  32          HE21      GLN  32  63.575  -4.128 101.972
 1941   HE22  GLN  32          HE22      GLN  32  62.668  -5.273 101.106
 1942    H    TYR  33           HN       TYR  33  61.305   0.896 103.368
 1943    HA   TYR  33           HA       TYR  33  63.873   0.813 104.550
 1944    HB2  TYR  33           HB2      TYR  33  62.987   2.921 103.956
 1945    HB3  TYR  33           HB1      TYR  33  61.467   2.579 104.771
 1946    HD1  TYR  33           HD2      TYR  33  65.016   3.424 105.257
 1947    HD2  TYR  33           HD1      TYR  33  61.205   2.823 107.145
 1948    HE1  TYR  33           HE2      TYR  33  65.890   4.437 107.346
 1949    HE2  TYR  33           HE1      TYR  33  62.078   3.836 109.233
 1950    HH   TYR  33           HH       TYR  33  63.776   5.029 110.125
 1951    H    ALA  34           HN       ALA  34  60.588   0.295 105.793
 1952    HA   ALA  34           HA       ALA  34  61.193   0.243 108.528
 1953    HB1  ALA  34           HB1      ALA  34  58.989  -0.336 108.783
 1954    HB2  ALA  34           HB2      ALA  34  59.095  -1.651 107.612
 1955    HB3  ALA  34           HB3      ALA  34  58.903   0.010 107.057
 1956    H    ASN  35           HN       ASN  35  61.460  -2.355 106.040
 1957    HA   ASN  35           HA       ASN  35  62.015  -4.406 107.932
 1958    HB2  ASN  35           HB2      ASN  35  61.289  -4.475 105.378
 1959    HB3  ASN  35           HB1      ASN  35  63.028  -4.496 105.107
 1960   HD21  ASN  35          HD21      ASN  35  61.681  -6.859 104.354
 1961   HD22  ASN  35          HD22      ASN  35  61.978  -8.087 105.487
 1962    H    ASP  36           HN       ASP  36  63.955  -2.218 105.930
 1963    HA   ASP  36           HA       ASP  36  66.494  -3.260 106.597
 1964    HB2  ASP  36           HB2      ASP  36  65.985  -0.406 105.805
 1965    HB3  ASP  36           HB1      ASP  36  67.360  -1.437 105.406
 1966    H    ASN  37           HN       ASN  37  64.395  -1.018 108.335
 1967    HA   ASN  37           HA       ASN  37  66.646  -0.107 109.970
 1968    HB2  ASN  37           HB2      ASN  37  65.206   1.562 110.767
 1969    HB3  ASN  37           HB1      ASN  37  64.845   1.402 109.055
 1970   HD21  ASN  37          HD21      ASN  37  62.802   2.553 110.338
 1971   HD22  ASN  37          HD22      ASN  37  61.545   1.460 110.670
 1972    H    GLY  38           HN       GLY  38  63.980  -2.416 110.225
 1973    HA2  GLY  38           HA2      GLY  38  64.538  -4.169 111.933
 1974    HA3  GLY  38           HA1      GLY  38  64.715  -2.853 113.077
 1975    H    VAL  39           HN       VAL  39  62.200  -1.563 111.703
 1976    HA   VAL  39           HA       VAL  39  60.272  -3.140 113.317
 1977    HB   VAL  39           HB       VAL  39  60.350  -0.958 114.171
 1978   HG11  VAL  39          HG11      VAL  39  60.238   0.062 111.322
 1979   HG12  VAL  39          HG12      VAL  39  61.663   0.037 112.351
 1980   HG13  VAL  39          HG13      VAL  39  60.299   1.062 112.772
 1981   HG21  VAL  39          HG21      VAL  39  58.020  -1.768 113.559
 1982   HG22  VAL  39          HG22      VAL  39  58.124  -0.744 112.132
 1983   HG23  VAL  39          HG23      VAL  39  58.180  -0.023 113.736
 1984    H    ASP  40           HN       ASP  40  59.154  -4.549 112.146
 1985    HA   ASP  40           HA       ASP  40  57.807  -3.597 109.683
 1986    HB2  ASP  40           HB2      ASP  40  58.684  -5.278 108.422
 1987    HB3  ASP  40           HB1      ASP  40  59.811  -5.563 109.738
 1988    H    GLY  41           HN       GLY  41  55.641  -3.420 110.251
 1989    HA2  GLY  41           HA2      GLY  41  54.433  -5.740 111.644
 1990    HA3  GLY  41           HA1      GLY  41  54.226  -4.140 112.332
 1991    H    GLU  42           HN       GLU  42  51.877  -4.338 112.081
 1992    HA   GLU  42           HA       GLU  42  50.774  -4.758 109.497
 1993    HB2  GLU  42           HB2      GLU  42  49.232  -3.449 111.717
 1994    HB3  GLU  42           HB1      GLU  42  48.697  -4.632 110.528
 1995    HG2  GLU  42           HG2      GLU  42  50.491  -5.139 112.915
 1996    HG3  GLU  42           HG1      GLU  42  48.855  -5.744 112.667
 1997    H    TRP  43           HN       TRP  43  50.011  -3.264 108.094
 1998    HA   TRP  43           HA       TRP  43  50.940  -0.498 108.515
 1999    HB2  TRP  43           HB2      TRP  43  50.535  -2.179 106.045
 2000    HB3  TRP  43           HB1      TRP  43  50.861  -0.444 105.994
 2001    HD1  TRP  43           HD1      TRP  43  52.525  -3.767 107.073
 2002    HE1  TRP  43           HE1      TRP  43  55.049  -3.345 107.341
 2003    HE3  TRP  43           HE3      TRP  43  52.630   1.247 106.304
 2004    HZ2  TRP  43           HZ2      TRP  43  56.877  -1.156 107.189
 2005    HZ3  TRP  43           HZ3      TRP  43  54.761   2.473 106.349
 2006    HH2  TRP  43           HH2      TRP  43  56.889   1.290 106.789
 2007    H    THR  44           HN       THR  44  49.859   1.138 107.506
 2008    HA   THR  44           HA       THR  44  47.081   0.901 106.747
 2009    HB   THR  44           HB       THR  44  46.803   0.971 109.161
 2010    HG1  THR  44           HG1      THR  44  46.272   3.224 107.627
 2011   HG21  THR  44          HG21      THR  44  48.874   3.163 108.976
 2012   HG22  THR  44          HG22      THR  44  48.839   1.751 110.031
 2013   HG23  THR  44          HG23      THR  44  47.741   3.098 110.325
 2014    H    TYR  45           HN       TYR  45  46.310   3.059 105.910
 2015    HA   TYR  45           HA       TYR  45  48.353   5.122 105.694
 2016    HB2  TYR  45           HB2      TYR  45  49.013   3.859 103.790
 2017    HB3  TYR  45           HB1      TYR  45  47.344   3.592 103.297
 2018    HD1  TYR  45           HD1      TYR  45  49.384   6.612 104.276
 2019    HD2  TYR  45           HD2      TYR  45  46.749   4.817 101.395
 2020    HE1  TYR  45           HE1      TYR  45  49.442   8.681 102.932
 2021    HE2  TYR  45           HE2      TYR  45  46.809   6.898 100.049
 2022    HH   TYR  45           HH       TYR  45  48.539   9.779 101.203
 2023    H    ASP  46           HN       ASP  46  47.350   6.934 106.125
 2024    HA   ASP  46           HA       ASP  46  44.507   7.193 105.405
 2025    HB2  ASP  46           HB2      ASP  46  45.019   7.810 107.720
 2026    HB3  ASP  46           HB1      ASP  46  46.273   8.932 107.166
 2027    H    ASP  47           HN       ASP  47  44.205   7.998 103.337
 2028    HA   ASP  47           HA       ASP  47  46.269   9.608 102.074
 2029    HB2  ASP  47           HB2      ASP  47  44.809   7.784 100.955
 2030    HB3  ASP  47           HB1      ASP  47  43.552   9.019 100.908
 2031    H    ALA  48           HN       ALA  48  43.688  10.172 104.092
 2032    HA   ALA  48           HA       ALA  48  42.786  12.673 102.964
 2033    HB1  ALA  48           HB1      ALA  48  41.315  12.769 104.794
 2034    HB2  ALA  48           HB2      ALA  48  42.374  11.793 105.815
 2035    HB3  ALA  48           HB3      ALA  48  41.482  11.040 104.494
 2036    H    THR  49           HN       THR  49  45.326  11.616 105.165
 2037    HA   THR  49           HA       THR  49  46.135  14.438 105.593
 2038    HB   THR  49           HB       THR  49  47.172  13.471 107.805
 2039    HG1  THR  49           HG1      THR  49  46.763  11.392 107.809
 2040   HG21  THR  49          HG21      THR  49  45.407  15.133 107.830
 2041   HG22  THR  49          HG22      THR  49  45.043  13.888 109.027
 2042   HG23  THR  49          HG23      THR  49  44.196  13.900 107.480
 2043    H    LYS  50           HN       LYS  50  46.824  11.904 103.802
 2044    HA   LYS  50           HA       LYS  50  48.729  10.872 103.008
 2045    HB2  LYS  50           HB2      LYS  50  50.125  13.476 103.604
 2046    HB3  LYS  50           HB1      LYS  50  50.361  12.389 102.237
 2047    HG2  LYS  50           HG2      LYS  50  47.839  14.009 102.740
 2048    HG3  LYS  50           HG1      LYS  50  49.114  14.454 101.611
 2049    HD2  LYS  50           HD2      LYS  50  48.750  12.287 100.410
 2050    HD3  LYS  50           HD1      LYS  50  47.390  11.962 101.482
 2051    HE2  LYS  50           HE2      LYS  50  46.119  13.748 100.624
 2052    HE3  LYS  50           HE1      LYS  50  47.526  14.526  99.900
 2053    HZ1  LYS  50           HZ1      LYS  50  47.126  13.422  98.042
 2054    HZ2  LYS  50           HZ2      LYS  50  45.789  12.650  98.753
 2055    HZ3  LYS  50           HZ3      LYS  50  47.332  11.947  98.854
 2056    H    THR  51           HN       THR  51  48.378   9.994 105.530
 2057    HA   THR  51           HA       THR  51  51.120  10.063 106.677
 2058    HB   THR  51           HB       THR  51  48.509  10.211 108.216
 2059    HG1  THR  51           HG1      THR  51  50.734  11.913 107.841
 2060   HG21  THR  51          HG21      THR  51  50.132  10.314 110.213
 2061   HG22  THR  51          HG22      THR  51  51.344   9.651 109.117
 2062   HG23  THR  51          HG23      THR  51  49.887   8.728 109.480
 2063    H    PHE  52           HN       PHE  52  52.058   8.069 106.951
 2064    HA   PHE  52           HA       PHE  52  50.361   5.647 106.838
 2065    HB2  PHE  52           HB2      PHE  52  53.279   6.187 106.276
 2066    HB3  PHE  52           HB1      PHE  52  52.607   4.561 106.372
 2067    HD1  PHE  52           HD2      PHE  52  52.253   7.837 104.595
 2068    HD2  PHE  52           HD1      PHE  52  51.552   3.598 104.517
 2069    HE1  PHE  52           HE2      PHE  52  51.595   7.971 102.202
 2070    HE2  PHE  52           HE1      PHE  52  50.913   3.744 102.130
 2071    HZ   PHE  52           HZ       PHE  52  50.937   5.932 100.975
 2072    H    THR  53           HN       THR  53  50.988   3.874 108.360
 2073    HA   THR  53           HA       THR  53  52.836   4.561 110.499
 2074    HB   THR  53           HB       THR  53  51.355   4.352 112.355
 2075    HG1  THR  53           HG1      THR  53  48.993   4.172 111.664
 2076   HG21  THR  53          HG21      THR  53  49.919   6.114 110.349
 2077   HG22  THR  53          HG22      THR  53  51.333   6.593 111.270
 2078   HG23  THR  53          HG23      THR  53  49.833   6.236 112.104
 2079    H    VAL  54           HN       VAL  54  53.956   2.667 111.119
 2080    HA   VAL  54           HA       VAL  54  52.672   0.082 110.397
 2081    HB   VAL  54           HB       VAL  54  54.717   0.568 109.105
 2082   HG11  VAL  54          HG11      VAL  54  56.187   0.433 111.742
 2083   HG12  VAL  54          HG12      VAL  54  55.735   1.957 110.985
 2084   HG13  VAL  54          HG13      VAL  54  56.842   0.857 110.163
 2085   HG21  VAL  54          HG21      VAL  54  55.212  -1.619 111.157
 2086   HG22  VAL  54          HG22      VAL  54  55.793  -1.569 109.492
 2087   HG23  VAL  54          HG23      VAL  54  54.073  -1.781 109.819
 2088    H    THR  55           HN       THR  55  52.135  -1.235 112.055
 2089    HA   THR  55           HA       THR  55  53.480  -0.870 114.674
 2090    HB   THR  55           HB       THR  55  51.025  -0.013 114.380
 2091    HG1  THR  55           HG1      THR  55  50.949  -1.599 116.550
 2092   HG21  THR  55          HG21      THR  55  49.286  -1.621 114.646
 2093   HG22  THR  55          HG22      THR  55  50.433  -2.918 114.984
 2094   HG23  THR  55          HG23      THR  55  50.310  -2.250 113.358
 2095    H    GLU  56           HN       GLU  56  54.565  -2.649 115.357
 2096    HA   GLU  56           HA       GLU  56  53.708  -5.303 114.344
 2097    HB2  GLU  56           HB2      GLU  56  56.146  -5.844 115.283
 2098    HB3  GLU  56           HB1      GLU  56  55.922  -5.137 113.684
 2099    HG2  GLU  56           HG2      GLU  56  56.280  -2.896 114.585
 2100    HG3  GLU  56           HG1      GLU  56  56.441  -3.556 116.213
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  53.412  -0.803  99.772
    2    H2   MET   1           HT2      MET   1  53.440  -2.496  99.660
    3    H3   MET   1           HT3      MET   1  52.019  -1.638  99.294
    4    HA   MET   1           HA       MET   1  52.891  -0.753  97.350
    5    HB2  MET   1           HB2      MET   1  55.089  -0.208  97.218
    6    HB3  MET   1           HB1      MET   1  55.291  -0.884  98.813
    7    HG2  MET   1           HG2      MET   1  55.601  -3.166  97.589
    8    HG3  MET   1           HG1      MET   1  55.813  -2.185  96.141
    9    HE1  MET   1           HE1      MET   1  57.175  -1.287  99.956
   10    HE2  MET   1           HE2      MET   1  58.320  -2.595  99.854
   11    HE3  MET   1           HE3      MET   1  56.605  -2.919  99.617
   12    H    GLN   2           HN       GLN   2  53.924  -2.242  95.401
   13    HA   GLN   2           HA       GLN   2  52.762  -4.944  95.791
   14    HB2  GLN   2           HB2      GLN   2  52.497  -3.046  93.455
   15    HB3  GLN   2           HB1      GLN   2  52.054  -4.751  93.383
   16    HG2  GLN   2           HG2      GLN   2  50.413  -4.452  95.151
   17    HG3  GLN   2           HG1      GLN   2  50.920  -2.780  95.388
   18   HE21  GLN   2          HE21      GLN   2  51.192  -2.560  92.215
   19   HE22  GLN   2          HE22      GLN   2  49.586  -2.340  91.715
   20    H    TYR   3           HN       TYR   3  53.763  -6.616  94.948
   21    HA   TYR   3           HA       TYR   3  56.310  -6.204  93.489
   22    HB2  TYR   3           HB2      TYR   3  55.452  -8.472  95.293
   23    HB3  TYR   3           HB1      TYR   3  56.981  -8.369  94.417
   24    HD1  TYR   3           HD2      TYR   3  58.539  -6.436  94.878
   25    HD2  TYR   3           HD1      TYR   3  55.135  -7.325  97.342
   26    HE1  TYR   3           HE2      TYR   3  59.514  -5.108  96.723
   27    HE2  TYR   3           HE1      TYR   3  56.122  -5.975  99.177
   28    HH   TYR   3           HH       TYR   3  59.202  -4.266  98.741
   29    H    LYS   4           HN       LYS   4  56.517  -7.301  91.603
   30    HA   LYS   4           HA       LYS   4  54.161  -8.904  90.734
   31    HB2  LYS   4           HB2      LYS   4  54.576  -6.590  89.693
   32    HB3  LYS   4           HB1      LYS   4  55.964  -7.323  88.903
   33    HG2  LYS   4           HG2      LYS   4  54.642  -8.308  87.320
   34    HG3  LYS   4           HG1      LYS   4  53.592  -9.012  88.538
   35    HD2  LYS   4           HD2      LYS   4  52.450  -6.758  88.738
   36    HD3  LYS   4           HD1      LYS   4  53.402  -6.225  87.355
   37    HE2  LYS   4           HE2      LYS   4  51.688  -8.711  87.242
   38    HE3  LYS   4           HE1      LYS   4  51.040  -7.115  86.865
   39    HZ1  LYS   4           HZ1      LYS   4  53.535  -8.001  85.594
   40    HZ2  LYS   4           HZ2      LYS   4  52.369  -6.901  85.031
   41    HZ3  LYS   4           HZ3      LYS   4  52.053  -8.570  84.997
   42    H    LEU   5           HN       LEU   5  54.524 -10.942  90.115
   43    HA   LEU   5           HA       LEU   5  57.311 -11.781  89.595
   44    HB2  LEU   5           HB2      LEU   5  56.308 -12.875  91.524
   45    HB3  LEU   5           HB1      LEU   5  54.920 -13.336  90.579
   46    HG   LEU   5           HG       LEU   5  56.792 -15.097  91.129
   47   HD11  LEU   5          HD11      LEU   5  55.502 -14.864  88.415
   48   HD12  LEU   5          HD12      LEU   5  54.899 -15.712  89.832
   49   HD13  LEU   5          HD13      LEU   5  56.333 -16.299  88.998
   50   HD21  LEU   5          HD21      LEU   5  58.594 -13.600  90.035
   51   HD22  LEU   5          HD22      LEU   5  57.959 -14.202  88.518
   52   HD23  LEU   5          HD23      LEU   5  58.611 -15.318  89.697
   53    H    ILE   6           HN       ILE   6  57.841 -12.514  87.627
   54    HA   ILE   6           HA       ILE   6  55.722 -12.767  85.583
   55    HB   ILE   6           HB       ILE   6  58.733 -12.782  85.224
   56   HG12  ILE   6          HG12      ILE   6  58.103 -10.643  86.188
   57   HG13  ILE   6          HG11      ILE   6  58.425 -10.411  84.472
   58   HG21  ILE   6          HG21      ILE   6  57.579 -13.799  83.379
   59   HG22  ILE   6          HG22      ILE   6  58.069 -12.182  82.870
   60   HG23  ILE   6          HG23      ILE   6  56.395 -12.493  83.329
   61   HD11  ILE   6          HD11      ILE   6  55.795 -10.455  85.926
   62   HD12  ILE   6          HD12      ILE   6  55.869 -10.778  84.194
   63   HD13  ILE   6          HD13      ILE   6  56.431  -9.234  84.826
   64    H    LEU   7           HN       LEU   7  55.212 -14.717  84.788
   65    HA   LEU   7           HA       LEU   7  56.598 -17.046  85.904
   66    HB2  LEU   7           HB2      LEU   7  54.126 -16.744  84.210
   67    HB3  LEU   7           HB1      LEU   7  54.813 -18.297  84.620
   68    HG   LEU   7           HG       LEU   7  54.639 -17.035  87.118
   69   HD11  LEU   7          HD11      LEU   7  51.948 -16.573  86.859
   70   HD12  LEU   7          HD12      LEU   7  52.552 -15.900  85.356
   71   HD13  LEU   7          HD13      LEU   7  53.182 -15.326  86.875
   72   HD21  LEU   7          HD21      LEU   7  54.078 -19.296  86.952
   73   HD22  LEU   7          HD22      LEU   7  52.919 -19.020  85.669
   74   HD23  LEU   7          HD23      LEU   7  52.530 -18.544  87.316
   75    H    ASN   8           HN       ASN   8  58.267 -17.862  84.866
   76    HA   ASN   8           HA       ASN   8  58.136 -18.188  81.951
   77    HB2  ASN   8           HB2      ASN   8  60.771 -17.856  82.196
   78    HB3  ASN   8           HB1      ASN   8  59.704 -16.485  81.912
   79   HD21  ASN   8          HD21      ASN   8  62.328 -17.179  83.674
   80   HD22  ASN   8          HD22      ASN   8  62.002 -16.304  85.090
   81    H    GLY   9           HN       GLY   9  57.436 -20.319  82.498
   82    HA2  GLY   9           HA2      GLY   9  59.557 -22.036  83.687
   83    HA3  GLY   9           HA1      GLY   9  57.841 -22.311  83.950
   84    H    LYS  10           HN       LYS  10  58.269 -24.472  83.106
   85    HA   LYS  10           HA       LYS  10  59.143 -24.856  80.444
   86    HB2  LYS  10           HB2      LYS  10  57.243 -26.755  81.827
   87    HB3  LYS  10           HB1      LYS  10  58.558 -27.123  80.707
   88    HG2  LYS  10           HG2      LYS  10  59.980 -25.888  82.689
   89    HG3  LYS  10           HG1      LYS  10  58.670 -26.568  83.648
   90    HD2  LYS  10           HD2      LYS  10  59.157 -28.801  82.734
   91    HD3  LYS  10           HD1      LYS  10  60.455 -28.120  81.752
   92    HE2  LYS  10           HE2      LYS  10  61.563 -27.323  83.844
   93    HE3  LYS  10           HE1      LYS  10  60.309 -28.136  84.781
   94    HZ1  LYS  10           HZ1      LYS  10  62.548 -29.255  83.318
   95    HZ2  LYS  10           HZ2      LYS  10  61.083 -30.101  83.161
   96    HZ3  LYS  10           HZ3      LYS  10  61.754 -29.835  84.699
   97    H    THR  11           HN       THR  11  55.767 -24.764  81.793
   98    HA   THR  11           HA       THR  11  55.000 -23.529  79.305
   99    HB   THR  11           HB       THR  11  52.888 -25.220  80.442
  100    HG1  THR  11           HG1      THR  11  54.429 -26.735  80.783
  101   HG21  THR  11          HG21      THR  11  52.662 -25.636  78.061
  102   HG22  THR  11          HG22      THR  11  54.224 -24.920  77.771
  103   HG23  THR  11          HG23      THR  11  52.890 -23.924  78.359
  104    H    LEU  12           HN       LEU  12  55.246 -23.205  82.616
  105    HA   LEU  12           HA       LEU  12  52.704 -21.834  82.741
  106    HB2  LEU  12           HB2      LEU  12  54.658 -22.629  84.727
  107    HB3  LEU  12           HB1      LEU  12  54.205 -20.946  84.971
  108    HG   LEU  12           HG       LEU  12  52.431 -23.304  84.840
  109   HD11  LEU  12          HD11      LEU  12  51.748 -22.406  87.135
  110   HD12  LEU  12          HD12      LEU  12  53.250 -21.496  87.028
  111   HD13  LEU  12          HD13      LEU  12  53.275 -23.260  86.966
  112   HD21  LEU  12          HD21      LEU  12  50.487 -21.980  84.879
  113   HD22  LEU  12          HD22      LEU  12  51.461 -21.005  83.836
  114   HD23  LEU  12          HD23      LEU  12  51.336 -20.635  85.526
  115    H    LYS  13           HN       LYS  13  52.425 -19.934  81.758
  116    HA   LYS  13           HA       LYS  13  54.459 -17.854  82.230
  117    HB2  LYS  13           HB2      LYS  13  53.473 -18.624  79.479
  118    HB3  LYS  13           HB1      LYS  13  54.277 -17.102  79.832
  119    HG2  LYS  13           HG2      LYS  13  56.218 -18.193  79.375
  120    HG3  LYS  13           HG1      LYS  13  56.033 -18.936  80.956
  121    HD2  LYS  13           HD2      LYS  13  54.513 -20.664  79.593
  122    HD3  LYS  13           HD1      LYS  13  55.473 -20.083  78.233
  123    HE2  LYS  13           HE2      LYS  13  56.695 -21.930  79.053
  124    HE3  LYS  13           HE1      LYS  13  57.520 -20.538  79.758
  125    HZ1  LYS  13           HZ1      LYS  13  55.306 -21.482  81.319
  126    HZ2  LYS  13           HZ2      LYS  13  56.886 -21.109  81.803
  127    HZ3  LYS  13           HZ3      LYS  13  56.533 -22.635  81.151
  128    H    GLY  14           HN       GLY  14  53.621 -15.995  82.721
  129    HA2  GLY  14           HA2      GLY  14  51.531 -14.579  81.606
  130    HA3  GLY  14           HA1      GLY  14  50.834 -15.487  82.922
  131    H    GLU  15           HN       GLU  15  50.457 -13.532  84.276
  132    HA   GLU  15           HA       GLU  15  53.037 -12.592  85.449
  133    HB2  GLU  15           HB2      GLU  15  50.622 -10.810  85.337
  134    HB3  GLU  15           HB1      GLU  15  52.280 -10.391  85.725
  135    HG2  GLU  15           HG2      GLU  15  51.509 -11.478  83.028
  136    HG3  GLU  15           HG1      GLU  15  51.428  -9.764  83.404
  137    H    THR  16           HN       THR  16  52.886 -11.818  87.672
  138    HA   THR  16           HA       THR  16  50.539 -12.690  89.199
  139    HB   THR  16           HB       THR  16  52.718 -13.547  90.780
  140    HG1  THR  16           HG1      THR  16  53.959 -13.594  88.879
  141   HG21  THR  16          HG21      THR  16  50.533 -14.560  90.803
  142   HG22  THR  16          HG22      THR  16  51.735 -15.785  90.395
  143   HG23  THR  16          HG23      THR  16  50.722 -15.088  89.131
  144    H    THR  17           HN       THR  17  50.138 -11.403  90.970
  145    HA   THR  17           HA       THR  17  52.296  -9.661  91.929
  146    HB   THR  17           HB       THR  17  49.683  -8.342  91.249
  147    HG1  THR  17           HG1      THR  17  50.534  -9.351  89.356
  148   HG21  THR  17          HG21      THR  17  51.009  -6.349  91.308
  149   HG22  THR  17          HG22      THR  17  52.511  -7.265  91.282
  150   HG23  THR  17          HG23      THR  17  51.492  -7.285  92.715
  151    H    THR  18           HN       THR  18  51.874  -8.571  93.876
  152    HA   THR  18           HA       THR  18  49.522  -9.210  95.423
  153    HB   THR  18           HB       THR  18  51.078 -11.215  95.629
  154    HG1  THR  18           HG1      THR  18  50.512  -9.690  97.951
  155   HG21  THR  18          HG21      THR  18  53.136 -11.031  96.694
  156   HG22  THR  18          HG22      THR  18  52.703  -9.524  97.497
  157   HG23  THR  18          HG23      THR  18  53.112  -9.522  95.783
  158    H    GLU  19           HN       GLU  19  49.425  -7.964  97.374
  159    HA   GLU  19           HA       GLU  19  51.098  -5.519  97.313
  160    HB2  GLU  19           HB2      GLU  19  48.569  -5.383  97.162
  161    HB3  GLU  19           HB1      GLU  19  48.507  -6.049  98.791
  162    HG2  GLU  19           HG2      GLU  19  48.484  -3.802  99.339
  163    HG3  GLU  19           HG1      GLU  19  50.228  -4.036  99.279
  164    H    ALA  20           HN       ALA  20  52.747  -5.480  98.778
  165    HA   ALA  20           HA       ALA  20  52.266  -6.407 101.506
  166    HB1  ALA  20           HB1      ALA  20  54.018  -8.004 101.562
  167    HB2  ALA  20           HB2      ALA  20  54.633  -7.515  99.989
  168    HB3  ALA  20           HB3      ALA  20  53.109  -8.385 100.104
  169    H    VAL  21           HN       VAL  21  53.957  -5.793 102.961
  170    HA   VAL  21           HA       VAL  21  54.982  -3.198 102.388
  171    HB   VAL  21           HB       VAL  21  54.455  -3.491 104.643
  172   HG11  VAL  21          HG11      VAL  21  55.623  -6.241 104.306
  173   HG12  VAL  21          HG12      VAL  21  53.970  -5.793 104.710
  174   HG13  VAL  21          HG13      VAL  21  55.255  -5.573 105.890
  175   HG21  VAL  21          HG21      VAL  21  57.344  -4.386 104.783
  176   HG22  VAL  21          HG22      VAL  21  56.485  -3.318 105.888
  177   HG23  VAL  21          HG23      VAL  21  56.920  -2.753 104.277
  178    H    ASP  22           HN       ASP  22  56.343  -6.445 102.762
  179    HA   ASP  22           HA       ASP  22  58.898  -5.398 101.658
  180    HB2  ASP  22           HB2      ASP  22  58.963  -6.385 103.963
  181    HB3  ASP  22           HB1      ASP  22  58.526  -7.928 103.237
  182    H    ALA  23           HN       ALA  23  60.017  -6.584 100.189
  183    HA   ALA  23           HA       ALA  23  58.394  -8.007  98.289
  184    HB1  ALA  23           HB1      ALA  23  60.136  -7.628  96.870
  185    HB2  ALA  23           HB2      ALA  23  61.346  -8.169  98.037
  186    HB3  ALA  23           HB3      ALA  23  60.691  -6.539  98.138
  187    H    ALA  24           HN       ALA  24  60.892  -8.813 100.656
  188    HA   ALA  24           HA       ALA  24  61.157 -11.550 100.030
  189    HB1  ALA  24           HB1      ALA  24  62.311 -11.778 102.089
  190    HB2  ALA  24           HB2      ALA  24  61.425 -10.444 102.828
  191    HB3  ALA  24           HB3      ALA  24  62.634 -10.117 101.587
  192    H    THR  25           HN       THR  25  58.763  -9.846 102.230
  193    HA   THR  25           HA       THR  25  57.655 -12.266 103.258
  194    HB   THR  25           HB       THR  25  57.417  -9.764 104.121
  195    HG1  THR  25           HG1      THR  25  56.113 -12.060 104.478
  196   HG21  THR  25          HG21      THR  25  55.500  -8.569 103.501
  197   HG22  THR  25          HG22      THR  25  54.687 -10.001 102.870
  198   HG23  THR  25          HG23      THR  25  55.982  -9.248 101.950
  199    H    ALA  26           HN       ALA  26  56.970 -10.257 100.435
  200    HA   ALA  26           HA       ALA  26  54.552 -11.572  99.686
  201    HB1  ALA  26           HB1      ALA  26  54.712  -9.474  98.708
  202    HB2  ALA  26           HB2      ALA  26  55.284 -10.473  97.374
  203    HB3  ALA  26           HB3      ALA  26  56.441  -9.634  98.403
  204    H    GLU  27           HN       GLU  27  57.929 -12.035  98.959
  205    HA   GLU  27           HA       GLU  27  57.755 -13.814  96.810
  206    HB2  GLU  27           HB2      GLU  27  60.023 -13.789  96.954
  207    HB3  GLU  27           HB1      GLU  27  59.801 -12.651  98.278
  208    HG2  GLU  27           HG2      GLU  27  59.730 -14.595  99.863
  209    HG3  GLU  27           HG1      GLU  27  60.106 -15.658  98.521
  210    H    LYS  28           HN       LYS  28  57.314 -14.366 100.225
  211    HA   LYS  28           HA       LYS  28  57.747 -17.112 100.396
  212    HB2  LYS  28           HB2      LYS  28  55.459 -15.598 101.701
  213    HB3  LYS  28           HB1      LYS  28  56.139 -17.128 102.241
  214    HG2  LYS  28           HG2      LYS  28  58.364 -15.863 102.458
  215    HG3  LYS  28           HG1      LYS  28  57.417 -14.392 102.304
  216    HD2  LYS  28           HD2      LYS  28  57.105 -16.537 104.434
  217    HD3  LYS  28           HD1      LYS  28  57.702 -14.896 104.675
  218    HE2  LYS  28           HE2      LYS  28  55.421 -14.112 103.728
  219    HE3  LYS  28           HE1      LYS  28  54.883 -15.768 103.969
  220    HZ1  LYS  28           HZ1      LYS  28  55.922 -13.962 106.182
  221    HZ2  LYS  28           HZ2      LYS  28  55.369 -15.551 106.406
  222    HZ3  LYS  28           HZ3      LYS  28  54.284 -14.334 105.928
  223    H    VAL  29           HN       VAL  29  54.870 -15.335  99.323
  224    HA   VAL  29           HA       VAL  29  53.320 -17.678  98.797
  225    HB   VAL  29           HB       VAL  29  52.951 -14.952  97.550
  226   HG11  VAL  29          HG11      VAL  29  50.597 -15.628  97.515
  227   HG12  VAL  29          HG12      VAL  29  50.999 -17.142  98.323
  228   HG13  VAL  29          HG13      VAL  29  51.575 -16.838  96.685
  229   HG21  VAL  29          HG21      VAL  29  51.514 -14.476  99.532
  230   HG22  VAL  29          HG22      VAL  29  53.212 -14.671  99.969
  231   HG23  VAL  29          HG23      VAL  29  52.068 -15.981 100.266
  232    H    PHE  30           HN       PHE  30  55.031 -15.394  96.653
  233    HA   PHE  30           HA       PHE  30  54.508 -16.686  94.233
  234    HB2  PHE  30           HB2      PHE  30  56.859 -14.973  94.994
  235    HB3  PHE  30           HB1      PHE  30  56.451 -15.436  93.356
  236    HD1  PHE  30           HD1      PHE  30  53.542 -15.071  93.136
  237    HD2  PHE  30           HD2      PHE  30  56.438 -12.703  95.269
  238    HE1  PHE  30           HE1      PHE  30  52.064 -13.103  92.980
  239    HE2  PHE  30           HE2      PHE  30  54.954 -10.747  95.092
  240    HZ   PHE  30           HZ       PHE  30  52.770 -10.942  93.954
  241    H    LYS  31           HN       LYS  31  57.355 -17.058  96.382
  242    HA   LYS  31           HA       LYS  31  58.634 -18.837  94.540
  243    HB2  LYS  31           HB2      LYS  31  59.161 -17.786  97.245
  244    HB3  LYS  31           HB1      LYS  31  59.878 -19.344  96.916
  245    HG2  LYS  31           HG2      LYS  31  61.158 -18.502  95.126
  246    HG3  LYS  31           HG1      LYS  31  60.161 -17.073  94.968
  247    HD2  LYS  31           HD2      LYS  31  61.274 -15.927  96.593
  248    HD3  LYS  31           HD1      LYS  31  61.390 -17.331  97.642
  249    HE2  LYS  31           HE2      LYS  31  63.175 -17.796  95.452
  250    HE3  LYS  31           HE1      LYS  31  63.450 -16.158  96.034
  251    HZ1  LYS  31           HZ1      LYS  31  64.462 -18.317  97.193
  252    HZ2  LYS  31           HZ2      LYS  31  63.024 -18.156  98.084
  253    HZ3  LYS  31           HZ3      LYS  31  64.135 -16.873  98.020
  254    H    GLN  32           HN       GLN  32  56.552 -19.269  97.355
  255    HA   GLN  32           HA       GLN  32  56.786 -22.131  97.373
  256    HB2  GLN  32           HB2      GLN  32  56.095 -20.671  99.324
  257    HB3  GLN  32           HB1      GLN  32  54.547 -20.455  98.507
  258    HG2  GLN  32           HG2      GLN  32  54.264 -22.928  98.453
  259    HG3  GLN  32           HG1      GLN  32  55.766 -23.096  99.360
  260   HE21  GLN  32          HE21      GLN  32  52.415 -23.045  99.790
  261   HE22  GLN  32          HE22      GLN  32  52.358 -22.507 101.399
  262    H    TYR  33           HN       TYR  33  54.724 -19.729  95.894
  263    HA   TYR  33           HA       TYR  33  52.663 -21.424  94.983
  264    HB2  TYR  33           HB2      TYR  33  52.243 -19.098  95.093
  265    HB3  TYR  33           HB1      TYR  33  53.708 -18.728  94.189
  266    HD1  TYR  33           HD1      TYR  33  50.498 -20.603  93.875
  267    HD2  TYR  33           HD2      TYR  33  53.577 -18.367  91.878
  268    HE1  TYR  33           HE1      TYR  33  49.208 -20.711  91.759
  269    HE2  TYR  33           HE2      TYR  33  52.285 -18.474  89.767
  270    HH   TYR  33           HH       TYR  33  49.784 -18.761  89.155
  271    H    ALA  34           HN       ALA  34  55.690 -20.285  93.510
  272    HA   ALA  34           HA       ALA  34  55.273 -21.306  90.930
  273    HB1  ALA  34           HB1      ALA  34  57.288 -19.889  92.204
  274    HB2  ALA  34           HB2      ALA  34  57.365 -20.475  90.543
  275    HB3  ALA  34           HB3      ALA  34  58.074 -21.426  91.848
  276    H    ASN  35           HN       ASN  35  56.510 -22.917  93.907
  277    HA   ASN  35           HA       ASN  35  57.280 -25.295  92.544
  278    HB2  ASN  35           HB2      ASN  35  57.924 -24.343  94.924
  279    HB3  ASN  35           HB1      ASN  35  56.513 -25.260  95.447
  280   HD21  ASN  35          HD21      ASN  35  56.831 -27.566  95.746
  281   HD22  ASN  35          HD22      ASN  35  58.221 -28.390  95.225
  282    H    ASP  36           HN       ASP  36  54.439 -24.327  94.476
  283    HA   ASP  36           HA       ASP  36  53.046 -26.773  94.227
  284    HB2  ASP  36           HB2      ASP  36  51.691 -24.128  94.661
  285    HB3  ASP  36           HB1      ASP  36  51.298 -25.704  95.349
  286    H    ASN  37           HN       ASN  37  53.226 -23.994  92.034
  287    HA   ASN  37           HA       ASN  37  50.830 -24.872  90.626
  288    HB2  ASN  37           HB2      ASN  37  51.102 -22.912  89.295
  289    HB3  ASN  37           HB1      ASN  37  51.374 -22.478  90.978
  290   HD21  ASN  37          HD21      ASN  37  52.519 -20.641  89.423
  291   HD22  ASN  37          HD22      ASN  37  54.185 -20.897  89.218
  292    H    GLY  38           HN       GLY  38  54.331 -25.305  90.264
  293    HA2  GLY  38           HA2      GLY  38  54.739 -27.396  88.898
  294    HA3  GLY  38           HA1      GLY  38  53.829 -26.599  87.629
  295    H    VAL  39           HN       VAL  39  55.509 -24.062  88.858
  296    HA   VAL  39           HA       VAL  39  57.879 -24.610  87.133
  297    HB   VAL  39           HB       VAL  39  56.589 -23.015  85.956
  298   HG11  VAL  39          HG11      VAL  39  55.541 -21.106  86.921
  299   HG12  VAL  39          HG12      VAL  39  56.374 -21.334  88.454
  300   HG13  VAL  39          HG13      VAL  39  55.132 -22.463  87.951
  301   HG21  VAL  39          HG21      VAL  39  57.990 -21.072  85.902
  302   HG22  VAL  39          HG22      VAL  39  59.029 -22.417  86.352
  303   HG23  VAL  39          HG23      VAL  39  58.474 -21.296  87.580
  304    H    ASP  40           HN       ASP  40  59.549 -24.945  88.382
  305    HA   ASP  40           HA       ASP  40  60.171 -22.981  90.516
  306    HB2  ASP  40           HB2      ASP  40  59.435 -25.358  91.284
  307    HB3  ASP  40           HB1      ASP  40  61.001 -25.880  90.668
  308    H    GLY  41           HN       GLY  41  61.896 -21.794  89.646
  309    HA2  GLY  41           HA2      GLY  41  64.176 -23.367  88.602
  310    HA3  GLY  41           HA1      GLY  41  63.496 -22.103  87.596
  311    H    GLU  42           HN       GLU  42  65.541 -20.940  87.603
  312    HA   GLU  42           HA       GLU  42  66.727 -20.124  90.050
  313    HB2  GLU  42           HB2      GLU  42  67.233 -18.699  87.477
  314    HB3  GLU  42           HB1      GLU  42  68.368 -19.135  88.745
  315    HG2  GLU  42           HG2      GLU  42  67.106 -20.985  86.704
  316    HG3  GLU  42           HG1      GLU  42  68.811 -20.571  86.860
  317    H    TRP  43           HN       TRP  43  66.754 -17.973  90.876
  318    HA   TRP  43           HA       TRP  43  64.384 -16.361  90.105
  319    HB2  TRP  43           HB2      TRP  43  65.523 -17.022  92.807
  320    HB3  TRP  43           HB1      TRP  43  64.289 -15.792  92.540
  321    HD1  TRP  43           HD1      TRP  43  64.771 -19.633  92.288
  322    HE1  TRP  43           HE1      TRP  43  62.417 -20.693  92.294
  323    HE3  TRP  43           HE3      TRP  43  61.974 -15.426  92.137
  324    HZ2  TRP  43           HZ2      TRP  43  59.683 -19.823  92.275
  325    HZ3  TRP  43           HZ3      TRP  43  59.524 -15.540  92.148
  326    HH2  TRP  43           HH2      TRP  43  58.360 -17.725  92.217
  327    H    THR  44           HN       THR  44  64.487 -14.330  90.105
  328    HA   THR  44           HA       THR  44  66.831 -12.879  91.067
  329    HB   THR  44           HB       THR  44  66.996 -12.923  88.650
  330    HG1  THR  44           HG1      THR  44  67.275 -10.942  89.888
  331   HG21  THR  44          HG21      THR  44  64.695 -13.541  88.179
  332   HG22  THR  44          HG22      THR  44  65.152 -12.105  87.265
  333   HG23  THR  44          HG23      THR  44  64.151 -11.948  88.706
  334    H    TYR  45           HN       TYR  45  66.224 -10.523  91.743
  335    HA   TYR  45           HA       TYR  45  63.307 -10.246  91.884
  336    HB2  TYR  45           HB2      TYR  45  63.536 -11.180  94.002
  337    HB3  TYR  45           HB1      TYR  45  65.094 -10.406  94.278
  338    HD1  TYR  45           HD1      TYR  45  61.846  -8.942  93.023
  339    HD2  TYR  45           HD2      TYR  45  64.839  -8.983  96.108
  340    HE1  TYR  45           HE1      TYR  45  60.815  -6.957  94.063
  341    HE2  TYR  45           HE2      TYR  45  63.793  -7.002  97.149
  342    HH   TYR  45           HH       TYR  45  61.221  -5.249  95.552
  343    H    ASP  46           HN       ASP  46  62.805  -8.392  91.090
  344    HA   ASP  46           HA       ASP  46  64.847  -6.341  91.135
  345    HB2  ASP  46           HB2      ASP  46  63.290  -6.717  89.029
  346    HB3  ASP  46           HB1      ASP  46  62.077  -5.903  90.007
  347    H    ASP  47           HN       ASP  47  65.076  -5.203  92.932
  348    HA   ASP  47           HA       ASP  47  62.598  -4.600  94.472
  349    HB2  ASP  47           HB2      ASP  47  64.894  -5.446  95.536
  350    HB3  ASP  47           HB1      ASP  47  65.306  -3.735  95.413
  351    H    ALA  48           HN       ALA  48  64.521  -3.557  92.132
  352    HA   ALA  48           HA       ALA  48  64.612  -0.749  92.648
  353    HB1  ALA  48           HB1      ALA  48  65.979  -0.763  90.768
  354    HB2  ALA  48           HB2      ALA  48  65.026  -2.002  89.956
  355    HB3  ALA  48           HB3      ALA  48  66.131  -2.451  91.255
  356    H    THR  49           HN       THR  49  62.461  -3.011  91.033
  357    HA   THR  49           HA       THR  49  60.515  -0.898  90.356
  358    HB   THR  49           HB       THR  49  59.888  -2.556  88.406
  359    HG1  THR  49           HG1      THR  49  61.668  -3.964  89.409
  360   HG21  THR  49          HG21      THR  49  62.298  -0.755  88.416
  361   HG22  THR  49          HG22      THR  49  60.676  -0.410  87.817
  362   HG23  THR  49          HG23      THR  49  61.716  -1.540  86.948
  363    H    LYS  50           HN       LYS  50  61.176  -3.429  92.351
  364    HA   LYS  50           HA       LYS  50  59.888  -4.899  93.565
  365    HB2  LYS  50           HB2      LYS  50  57.418  -3.549  92.482
  366    HB3  LYS  50           HB1      LYS  50  57.667  -4.290  94.060
  367    HG2  LYS  50           HG2      LYS  50  59.008  -1.734  93.109
  368    HG3  LYS  50           HG1      LYS  50  57.632  -1.815  94.198
  369    HD2  LYS  50           HD2      LYS  50  58.979  -3.117  95.793
  370    HD3  LYS  50           HD1      LYS  50  60.368  -3.004  94.720
  371    HE2  LYS  50           HE2      LYS  50  60.492  -0.639  94.973
  372    HE3  LYS  50           HE1      LYS  50  58.923  -0.578  95.774
  373    HZ1  LYS  50           HZ1      LYS  50  60.086  -0.705  97.652
  374    HZ2  LYS  50           HZ2      LYS  50  61.506  -1.196  96.859
  375    HZ3  LYS  50           HZ3      LYS  50  60.322  -2.342  97.276
  376    H    THR  51           HN       THR  51  60.804  -5.973  91.215
  377    HA   THR  51           HA       THR  51  58.464  -7.569  90.332
  378    HB   THR  51           HB       THR  51  60.476  -6.291  88.457
  379    HG1  THR  51           HG1      THR  51  57.669  -6.158  88.393
  380   HG21  THR  51          HG21      THR  51  59.026  -7.446  86.697
  381   HG22  THR  51          HG22      THR  51  58.396  -8.441  88.010
  382   HG23  THR  51          HG23      THR  51  60.112  -8.496  87.608
  383    H    PHE  52           HN       PHE  52  58.762  -9.748  90.443
  384    HA   PHE  52           HA       PHE  52  61.491 -10.850  90.667
  385    HB2  PHE  52           HB2      PHE  52  58.761 -11.854  91.456
  386    HB3  PHE  52           HB1      PHE  52  60.216 -12.841  91.554
  387    HD1  PHE  52           HD1      PHE  52  58.812  -9.541  92.669
  388    HD2  PHE  52           HD2      PHE  52  61.484 -12.803  93.507
  389    HE1  PHE  52           HE1      PHE  52  59.228  -8.640  94.946
  390    HE2  PHE  52           HE2      PHE  52  61.898 -11.889  95.766
  391    HZ   PHE  52           HZ       PHE  52  60.767  -9.817  96.488
  392    H    THR  53           HN       THR  53  61.955 -12.865  89.482
  393    HA   THR  53           HA       THR  53  59.997 -13.745  87.499
  394    HB   THR  53           HB       THR  53  61.425 -13.582  85.570
  395    HG1  THR  53           HG1      THR  53  63.420 -13.837  86.323
  396   HG21  THR  53          HG21      THR  53  61.771 -10.852  86.774
  397   HG22  THR  53          HG22      THR  53  60.164 -11.471  86.453
  398   HG23  THR  53          HG23      THR  53  61.298 -11.294  85.135
  399    H    VAL  54           HN       VAL  54  60.071 -16.043  87.377
  400    HA   VAL  54           HA       VAL  54  62.553 -17.322  88.386
  401    HB   VAL  54           HB       VAL  54  60.608 -17.730  89.824
  402   HG11  VAL  54          HG11      VAL  54  59.407 -19.188  87.459
  403   HG12  VAL  54          HG12      VAL  54  58.965 -17.535  87.881
  404   HG13  VAL  54          HG13      VAL  54  58.650 -18.849  89.013
  405   HG21  VAL  54          HG21      VAL  54  62.418 -19.457  89.494
  406   HG22  VAL  54          HG22      VAL  54  61.416 -20.209  88.253
  407   HG23  VAL  54          HG23      VAL  54  60.859 -20.159  89.925
  408    H    THR  55           HN       THR  55  63.697 -18.591  87.002
  409    HA   THR  55           HA       THR  55  62.371 -19.553  84.522
  410    HB   THR  55           HB       THR  55  64.112 -17.569  84.421
  411    HG1  THR  55           HG1      THR  55  63.326 -19.462  82.792
  412   HG21  THR  55          HG21      THR  55  65.813 -18.930  85.734
  413   HG22  THR  55          HG22      THR  55  66.410 -18.244  84.239
  414   HG23  THR  55          HG23      THR  55  65.994 -19.944  84.310
  415    H    GLU  56           HN       GLU  56  62.412 -21.767  84.249
  416    HA   GLU  56           HA       GLU  56  64.510 -23.301  85.693
  417    HB2  GLU  56           HB2      GLU  56  62.713 -25.203  85.289
  418    HB3  GLU  56           HB1      GLU  56  62.536 -24.079  86.636
  419    HG2  GLU  56           HG2      GLU  56  61.045 -22.677  85.330
  420    HG3  GLU  56           HG1      GLU  56  61.264 -23.706  83.916
  421    H1   MET   1           HT1      MET   1  70.111 -24.886  69.877
  422    H2   MET   1           HT2      MET   1  69.488 -23.356  70.272
  423    H3   MET   1           HT3      MET   1  68.752 -24.759  70.883
  424    HA   MET   1           HA       MET   1  70.546 -25.245  72.282
  425    HB2  MET   1           HB2      MET   1  72.681 -24.676  71.713
  426    HB3  MET   1           HB1      MET   1  72.015 -23.969  70.255
  427    HG2  MET   1           HG2      MET   1  71.656 -21.838  71.780
  428    HG3  MET   1           HG1      MET   1  72.860 -22.612  72.804
  429    HE1  MET   1           HE1      MET   1  72.405 -22.314  68.757
  430    HE2  MET   1           HE2      MET   1  73.236 -20.772  68.689
  431    HE3  MET   1           HE3      MET   1  71.821 -20.950  69.716
  432    H    GLN   2           HN       GLN   2  71.457 -23.484  74.118
  433    HA   GLN   2           HA       GLN   2  69.192 -21.628  74.616
  434    HB2  GLN   2           HB2      GLN   2  70.580 -23.524  76.519
  435    HB3  GLN   2           HB1      GLN   2  69.514 -22.222  77.044
  436    HG2  GLN   2           HG2      GLN   2  67.650 -23.177  75.821
  437    HG3  GLN   2           HG1      GLN   2  68.697 -24.402  75.105
  438   HE21  GLN   2          HE21      GLN   2  70.157 -24.661  77.914
  439   HE22  GLN   2          HE22      GLN   2  69.085 -25.616  78.818
  440    H    TYR   3           HN       TYR   3  69.612 -19.756  75.683
  441    HA   TYR   3           HA       TYR   3  72.448 -19.015  76.113
  442    HB2  TYR   3           HB2      TYR   3  70.134 -17.296  75.211
  443    HB3  TYR   3           HB1      TYR   3  71.764 -16.718  75.569
  444    HD1  TYR   3           HD2      TYR   3  73.717 -17.669  74.266
  445    HD2  TYR   3           HD1      TYR   3  69.622 -18.276  73.116
  446    HE1  TYR   3           HE2      TYR   3  74.440 -18.223  71.964
  447    HE2  TYR   3           HE1      TYR   3  70.357 -18.840  70.814
  448    HH   TYR   3           HH       TYR   3  73.813 -18.948  69.968
  449    H    LYS   4           HN       LYS   4  72.894 -18.097  78.045
  450    HA   LYS   4           HA       LYS   4  70.615 -17.822  79.944
  451    HB2  LYS   4           HB2      LYS   4  72.276 -19.767  80.233
  452    HB3  LYS   4           HB1      LYS   4  73.442 -18.543  80.717
  453    HG2  LYS   4           HG2      LYS   4  72.539 -18.399  82.811
  454    HG3  LYS   4           HG1      LYS   4  70.924 -18.155  82.169
  455    HD2  LYS   4           HD2      LYS   4  70.777 -20.656  81.798
  456    HD3  LYS   4           HD1      LYS   4  72.309 -20.811  82.656
  457    HE2  LYS   4           HE2      LYS   4  69.942 -19.384  83.877
  458    HE3  LYS   4           HE1      LYS   4  70.169 -21.124  84.042
  459    HZ1  LYS   4           HZ1      LYS   4  72.383 -19.294  84.665
  460    HZ2  LYS   4           HZ2      LYS   4  72.080 -20.857  85.258
  461    HZ3  LYS   4           HZ3      LYS   4  71.153 -19.543  85.806
  462    H    LEU   5           HN       LEU   5  70.347 -15.905  80.899
  463    HA   LEU   5           HA       LEU   5  72.548 -13.923  80.734
  464    HB2  LEU   5           HB2      LEU   5  70.564 -13.265  79.486
  465    HB3  LEU   5           HB1      LEU   5  69.545 -13.583  80.861
  466    HG   LEU   5           HG       LEU   5  70.178 -11.116  80.232
  467   HD11  LEU   5          HD11      LEU   5  70.194 -12.122  83.073
  468   HD12  LEU   5          HD12      LEU   5  68.817 -11.570  82.130
  469   HD13  LEU   5          HD13      LEU   5  70.066 -10.431  82.617
  470   HD21  LEU   5          HD21      LEU   5  72.698 -11.692  80.383
  471   HD22  LEU   5          HD22      LEU   5  72.463 -11.544  82.115
  472   HD23  LEU   5          HD23      LEU   5  72.128 -10.182  81.068
  473    H    ILE   6           HN       ILE   6  73.410 -13.166  82.580
  474    HA   ILE   6           HA       ILE   6  72.279 -14.090  85.149
  475    HB   ILE   6           HB       ILE   6  74.913 -12.688  84.630
  476   HG12  ILE   6          HG12      ILE   6  74.911 -14.776  83.380
  477   HG13  ILE   6          HG11      ILE   6  75.916 -14.974  84.815
  478   HG21  ILE   6          HG21      ILE   6  74.207 -12.507  86.912
  479   HG22  ILE   6          HG22      ILE   6  75.464 -13.742  86.848
  480   HG23  ILE   6          HG23      ILE   6  73.769 -14.215  86.971
  481   HD11  ILE   6          HD11      ILE   6  73.168 -16.057  84.255
  482   HD12  ILE   6          HD12      ILE   6  73.754 -15.898  85.909
  483   HD13  ILE   6          HD13      ILE   6  74.615 -16.923  84.765
  484    H    LEU   7           HN       LEU   7  71.345 -12.682  86.501
  485    HA   LEU   7           HA       LEU   7  71.132  -9.892  85.626
  486    HB2  LEU   7           HB2      LEU   7  69.815 -11.442  87.852
  487    HB3  LEU   7           HB1      LEU   7  69.602  -9.722  87.625
  488    HG   LEU   7           HG       LEU   7  69.068 -10.736  85.067
  489   HD11  LEU   7          HD11      LEU   7  67.096 -12.400  85.994
  490   HD12  LEU   7          HD12      LEU   7  68.431 -12.832  87.045
  491   HD13  LEU   7          HD13      LEU   7  68.625 -12.927  85.320
  492   HD21  LEU   7          HD21      LEU   7  67.758  -9.003  85.920
  493   HD22  LEU   7          HD22      LEU   7  67.335  -9.899  87.363
  494   HD23  LEU   7          HD23      LEU   7  66.625 -10.345  85.819
  495    H    ASN   8           HN       ASN   8  72.564  -8.485  86.293
  496    HA   ASN   8           HA       ASN   8  73.411  -8.497  89.103
  497    HB2  ASN   8           HB2      ASN   8  75.658  -7.588  88.048
  498    HB3  ASN   8           HB1      ASN   8  75.393  -9.322  88.214
  499   HD21  ASN   8          HD21      ASN   8  76.642  -7.229  86.055
  500   HD22  ASN   8          HD22      ASN   8  76.191  -7.978  84.599
  501    H    GLY   9           HN       GLY   9  71.764  -6.885  89.313
  502    HA2  GLY   9           HA2      GLY   9  72.421  -4.296  87.995
  503    HA3  GLY   9           HA1      GLY   9  70.773  -4.817  88.314
  504    H    LYS  10           HN       LYS  10  70.531  -2.812  89.483
  505    HA   LYS  10           HA       LYS  10  72.086  -2.253  91.784
  506    HB2  LYS  10           HB2      LYS  10  69.224  -1.338  91.455
  507    HB3  LYS  10           HB1      LYS  10  70.574  -0.498  92.222
  508    HG2  LYS  10           HG2      LYS  10  71.593  -0.795  89.697
  509    HG3  LYS  10           HG1      LYS  10  69.875  -0.709  89.319
  510    HD2  LYS  10           HD2      LYS  10  69.720   1.420  90.571
  511    HD3  LYS  10           HD1      LYS  10  71.448   1.331  90.918
  512    HE2  LYS  10           HE2      LYS  10  71.908   1.310  88.470
  513    HE3  LYS  10           HE1      LYS  10  70.180   1.502  88.168
  514    HZ1  LYS  10           HZ1      LYS  10  72.123   3.438  89.101
  515    HZ2  LYS  10           HZ2      LYS  10  70.624   3.480  89.898
  516    HZ3  LYS  10           HZ3      LYS  10  70.697   3.670  88.212
  517    H    THR  11           HN       THR  11  68.799  -3.790  91.496
  518    HA   THR  11           HA       THR  11  69.558  -5.391  93.766
  519    HB   THR  11           HB       THR  11  66.677  -4.709  93.623
  520    HG1  THR  11           HG1      THR  11  67.367  -2.648  93.388
  521   HG21  THR  11          HG21      THR  11  67.056  -4.846  96.004
  522   HG22  THR  11          HG22      THR  11  68.782  -4.819  95.761
  523   HG23  THR  11          HG23      THR  11  67.832  -6.202  95.211
  524    H    LEU  12           HN       LEU  12  68.699  -5.342  90.524
  525    HA   LEU  12           HA       LEU  12  67.098  -7.731  90.852
  526    HB2  LEU  12           HB2      LEU  12  67.693  -5.996  88.601
  527    HB3  LEU  12           HB1      LEU  12  67.912  -7.679  88.140
  528    HG   LEU  12           HG       LEU  12  65.519  -6.413  89.303
  529   HD11  LEU  12          HD11      LEU  12  64.486  -7.394  87.158
  530   HD12  LEU  12          HD12      LEU  12  66.156  -7.469  86.621
  531   HD13  LEU  12          HD13      LEU  12  65.441  -5.922  87.072
  532   HD21  LEU  12          HD21      LEU  12  64.398  -8.481  89.514
  533   HD22  LEU  12          HD22      LEU  12  65.980  -8.944  90.035
  534   HD23  LEU  12          HD23      LEU  12  65.466  -9.247  88.410
  535    H    LYS  13           HN       LYS  13  68.025  -9.626  91.401
  536    HA   LYS  13           HA       LYS  13  70.405 -10.448  89.866
  537    HB2  LYS  13           HB2      LYS  13  70.310 -10.440  92.888
  538    HB3  LYS  13           HB1      LYS  13  71.476 -11.367  91.955
  539    HG2  LYS  13           HG2      LYS  13  72.796  -9.521  92.063
  540    HG3  LYS  13           HG1      LYS  13  71.743  -8.848  90.829
  541    HD2  LYS  13           HD2      LYS  13  70.268  -8.148  92.947
  542    HD3  LYS  13           HD1      LYS  13  71.813  -8.295  93.784
  543    HE2  LYS  13           HE2      LYS  13  71.731  -6.037  93.089
  544    HE3  LYS  13           HE1      LYS  13  72.757  -6.820  91.885
  545    HZ1  LYS  13           HZ1      LYS  13  69.935  -6.916  91.310
  546    HZ2  LYS  13           HZ2      LYS  13  71.234  -6.540  90.289
  547    HZ3  LYS  13           HZ3      LYS  13  70.581  -5.351  91.309
  548    H    GLY  14           HN       GLY  14  70.305 -12.431  89.211
  549    HA2  GLY  14           HA2      GLY  14  69.637 -14.762  90.514
  550    HA3  GLY  14           HA1      GLY  14  68.150 -14.214  89.781
  551    H    GLU  15           HN       GLU  15  68.134 -15.994  88.123
  552    HA   GLU  15           HA       GLU  15  70.178 -15.443  86.012
  553    HB2  GLU  15           HB2      GLU  15  69.010 -18.194  86.288
  554    HB3  GLU  15           HB1      GLU  15  70.442 -17.680  85.422
  555    HG2  GLU  15           HG2      GLU  15  70.253 -17.418  88.413
  556    HG3  GLU  15           HG1      GLU  15  70.766 -18.912  87.647
  557    H    THR  16           HN       THR  16  69.516 -16.089  83.815
  558    HA   THR  16           HA       THR  16  66.619 -16.243  83.348
  559    HB   THR  16           HB       THR  16  67.546 -14.381  81.424
  560    HG1  THR  16           HG1      THR  16  69.260 -13.920  82.815
  561   HG21  THR  16          HG21      THR  16  65.291 -14.465  82.278
  562   HG22  THR  16          HG22      THR  16  65.970 -12.864  82.572
  563   HG23  THR  16          HG23      THR  16  65.852 -14.029  83.891
  564    H    THR  17           HN       THR  17  66.112 -17.436  81.509
  565    HA   THR  17           HA       THR  17  68.271 -17.919  79.576
  566    HB   THR  17           HB       THR  17  66.861 -20.347  80.646
  567    HG1  THR  17           HG1      THR  17  67.849 -19.189  82.398
  568   HG21  THR  17          HG21      THR  17  68.773 -21.482  79.755
  569   HG22  THR  17          HG22      THR  17  69.667 -19.978  79.572
  570   HG23  THR  17          HG23      THR  17  68.292 -20.318  78.528
  571    H    THR  18           HN       THR  18  67.641 -18.932  77.642
  572    HA   THR  18           HA       THR  18  64.839 -19.300  77.053
  573    HB   THR  18           HB       THR  18  65.287 -16.798  76.865
  574    HG1  THR  18           HG1      THR  18  64.558 -18.242  74.536
  575   HG21  THR  18          HG21      THR  18  66.704 -15.953  75.225
  576   HG22  THR  18          HG22      THR  18  66.644 -17.430  74.266
  577   HG23  THR  18          HG23      THR  18  67.615 -17.375  75.737
  578    H    GLU  19           HN       GLU  19  64.530 -20.312  75.009
  579    HA   GLU  19           HA       GLU  19  66.935 -21.701  73.977
  580    HB2  GLU  19           HB2      GLU  19  64.976 -23.031  74.865
  581    HB3  GLU  19           HB1      GLU  19  64.001 -22.347  73.570
  582    HG2  GLU  19           HG2      GLU  19  64.674 -24.283  72.499
  583    HG3  GLU  19           HG1      GLU  19  66.039 -23.263  72.061
  584    H    ALA  20           HN       ALA  20  67.760 -20.745  72.198
  585    HA   ALA  20           HA       ALA  20  65.949 -19.976  70.006
  586    HB1  ALA  20           HB1      ALA  20  66.849 -17.798  69.772
  587    HB2  ALA  20           HB2      ALA  20  68.142 -18.115  70.926
  588    HB3  ALA  20           HB3      ALA  20  66.475 -17.963  71.485
  589    H    VAL  21           HN       VAL  21  67.048 -19.667  67.971
  590    HA   VAL  21           HA       VAL  21  69.080 -21.616  67.512
  591    HB   VAL  21           HB       VAL  21  67.660 -21.318  65.672
  592   HG11  VAL  21          HG11      VAL  21  67.925 -18.354  66.225
  593   HG12  VAL  21          HG12      VAL  21  66.476 -19.347  66.332
  594   HG13  VAL  21          HG13      VAL  21  67.185 -18.988  64.762
  595   HG21  VAL  21          HG21      VAL  21  69.828 -19.354  64.893
  596   HG22  VAL  21          HG22      VAL  21  69.034 -20.568  63.890
  597   HG23  VAL  21          HG23      VAL  21  70.183 -21.066  65.133
  598    H    ASP  22           HN       ASP  22  68.940 -18.083  67.626
  599    HA   ASP  22           HA       ASP  22  71.916 -18.020  67.617
  600    HB2  ASP  22           HB2      ASP  22  70.826 -16.946  65.654
  601    HB3  ASP  22           HB1      ASP  22  70.039 -15.821  66.760
  602    H    ALA  23           HN       ALA  23  72.949 -16.435  68.851
  603    HA   ALA  23           HA       ALA  23  71.778 -16.064  71.448
  604    HB1  ALA  23           HB1      ALA  23  73.931 -15.695  72.114
  605    HB2  ALA  23           HB2      ALA  23  74.251 -14.558  70.802
  606    HB3  ALA  23           HB3      ALA  23  74.346 -16.293  70.512
  607    H    ALA  24           HN       ALA  24  72.672 -13.958  68.738
  608    HA   ALA  24           HA       ALA  24  71.970 -11.497  69.900
  609    HB1  ALA  24           HB1      ALA  24  72.062 -10.581  67.715
  610    HB2  ALA  24           HB2      ALA  24  71.593 -12.108  66.965
  611    HB3  ALA  24           HB3      ALA  24  73.200 -11.929  67.672
  612    H    THR  25           HN       THR  25  69.849 -13.927  68.143
  613    HA   THR  25           HA       THR  25  67.553 -12.247  68.102
  614    HB   THR  25           HB       THR  25  68.090 -14.523  66.816
  615    HG1  THR  25           HG1      THR  25  65.891 -13.082  67.389
  616   HG21  THR  25          HG21      THR  25  67.094 -16.480  67.673
  617   HG22  THR  25          HG22      THR  25  66.152 -15.593  68.870
  618   HG23  THR  25          HG23      THR  25  67.886 -15.802  69.093
  619    H    ALA  26           HN       ALA  26  68.825 -14.576  70.440
  620    HA   ALA  26           HA       ALA  26  66.562 -14.560  72.176
  621    HB1  ALA  26           HB1      ALA  26  67.891 -16.429  72.534
  622    HB2  ALA  26           HB2      ALA  26  68.478 -15.390  73.827
  623    HB3  ALA  26           HB3      ALA  26  69.391 -15.530  72.328
  624    H    GLU  27           HN       GLU  27  69.483 -12.676  71.923
  625    HA   GLU  27           HA       GLU  27  69.490 -11.343  74.374
  626    HB2  GLU  27           HB2      GLU  27  71.306 -10.301  73.467
  627    HB3  GLU  27           HB1      GLU  27  71.014 -11.280  72.034
  628    HG2  GLU  27           HG2      GLU  27  69.484  -9.448  71.192
  629    HG3  GLU  27           HG1      GLU  27  70.001  -8.467  72.555
  630    H    LYS  28           HN       LYS  28  67.520 -10.849  71.544
  631    HA   LYS  28           HA       LYS  28  66.713  -8.209  71.922
  632    HB2  LYS  28           HB2      LYS  28  65.014 -10.527  70.952
  633    HB3  LYS  28           HB1      LYS  28  64.658  -8.819  70.706
  634    HG2  LYS  28           HG2      LYS  28  66.970  -8.678  69.579
  635    HG3  LYS  28           HG1      LYS  28  66.925 -10.440  69.542
  636    HD2  LYS  28           HD2      LYS  28  64.940  -8.539  68.248
  637    HD3  LYS  28           HD1      LYS  28  66.041  -9.646  67.427
  638    HE2  LYS  28           HE2      LYS  28  64.834 -11.531  68.748
  639    HE3  LYS  28           HE1      LYS  28  63.593 -10.333  69.084
  640    HZ1  LYS  28           HZ1      LYS  28  64.425 -11.219  66.298
  641    HZ2  LYS  28           HZ2      LYS  28  63.219 -10.069  66.627
  642    HZ3  LYS  28           HZ3      LYS  28  62.991 -11.690  67.078
  643    H    VAL  29           HN       VAL  29  65.425 -11.191  73.332
  644    HA   VAL  29           HA       VAL  29  63.373  -9.883  74.828
  645    HB   VAL  29           HB       VAL  29  64.642 -12.549  75.464
  646   HG11  VAL  29          HG11      VAL  29  62.406 -13.049  76.338
  647   HG12  VAL  29          HG12      VAL  29  61.831 -11.462  75.824
  648   HG13  VAL  29          HG13      VAL  29  63.037 -11.592  77.105
  649   HG21  VAL  29          HG21      VAL  29  62.913 -13.499  73.937
  650   HG22  VAL  29          HG22      VAL  29  64.087 -12.503  73.077
  651   HG23  VAL  29          HG23      VAL  29  62.486 -11.862  73.439
  652    H    PHE  30           HN       PHE  30  66.540 -11.240  75.739
  653    HA   PHE  30           HA       PHE  30  66.505 -10.522  78.437
  654    HB2  PHE  30           HB2      PHE  30  68.852 -10.879  76.591
  655    HB3  PHE  30           HB1      PHE  30  68.962 -10.777  78.336
  656    HD1  PHE  30           HD1      PHE  30  66.766 -12.463  79.353
  657    HD2  PHE  30           HD2      PHE  30  69.320 -13.063  75.935
  658    HE1  PHE  30           HE1      PHE  30  66.381 -14.894  79.481
  659    HE2  PHE  30           HE2      PHE  30  68.934 -15.494  76.094
  660    HZ   PHE  30           HZ       PHE  30  67.466 -16.411  77.860
  661    H    LYS  31           HN       LYS  31  67.871  -8.700  75.664
  662    HA   LYS  31           HA       LYS  31  68.897  -6.638  77.351
  663    HB2  LYS  31           HB2      LYS  31  68.471  -6.931  74.396
  664    HB3  LYS  31           HB1      LYS  31  68.735  -5.312  75.034
  665    HG2  LYS  31           HG2      LYS  31  70.811  -6.242  76.201
  666    HG3  LYS  31           HG1      LYS  31  70.589  -7.699  75.230
  667    HD2  LYS  31           HD2      LYS  31  70.766  -6.396  73.179
  668    HD3  LYS  31           HD1      LYS  31  70.846  -4.900  74.101
  669    HE2  LYS  31           HE2      LYS  31  72.964  -5.507  75.052
  670    HE3  LYS  31           HE1      LYS  31  72.849  -7.145  74.402
  671    HZ1  LYS  31           HZ1      LYS  31  73.859  -4.842  73.157
  672    HZ2  LYS  31           HZ2      LYS  31  72.496  -5.367  72.290
  673    HZ3  LYS  31           HZ3      LYS  31  73.797  -6.426  72.556
  674    H    GLN  32           HN       GLN  32  65.910  -6.971  75.473
  675    HA   GLN  32           HA       GLN  32  64.881  -4.415  76.198
  676    HB2  GLN  32           HB2      GLN  32  64.186  -5.901  74.244
  677    HB3  GLN  32           HB1      GLN  32  63.269  -6.841  75.422
  678    HG2  GLN  32           HG2      GLN  32  62.073  -4.770  76.104
  679    HG3  GLN  32           HG1      GLN  32  62.945  -3.880  74.858
  680   HE21  GLN  32          HE21      GLN  32  59.983  -5.421  75.436
  681   HE22  GLN  32          HE22      GLN  32  59.562  -5.796  73.835
  682    H    TYR  33           HN       TYR  33  64.759  -7.634  77.571
  683    HA   TYR  33           HA       TYR  33  62.702  -7.215  79.449
  684    HB2  TYR  33           HB2      TYR  33  63.293  -9.442  78.927
  685    HB3  TYR  33           HB1      TYR  33  65.001  -9.121  79.204
  686    HD1  TYR  33           HD1      TYR  33  61.716  -9.029  80.980
  687    HD2  TYR  33           HD2      TYR  33  65.956  -9.671  81.265
  688    HE1  TYR  33           HE1      TYR  33  61.462  -9.679  83.361
  689    HE2  TYR  33           HE2      TYR  33  65.699 -10.320  83.640
  690    HH   TYR  33           HH       TYR  33  63.517 -11.352  85.039
  691    H    ALA  34           HN       ALA  34  66.242  -6.869  79.647
  692    HA   ALA  34           HA       ALA  34  66.408  -6.337  82.397
  693    HB1  ALA  34           HB1      ALA  34  68.200  -6.552  80.288
  694    HB2  ALA  34           HB2      ALA  34  68.633  -6.156  81.949
  695    HB3  ALA  34           HB3      ALA  34  68.370  -4.866  80.776
  696    H    ASN  35           HN       ASN  35  65.686  -4.136  79.635
  697    HA   ASN  35           HA       ASN  35  65.858  -1.778  81.221
  698    HB2  ASN  35           HB2      ASN  35  65.884  -2.157  78.596
  699    HB3  ASN  35           HB1      ASN  35  64.142  -1.943  78.763
  700   HD21  ASN  35          HD21      ASN  35  63.385   0.273  78.942
  701   HD22  ASN  35          HD22      ASN  35  64.421   1.594  79.188
  702    H    ASP  36           HN       ASP  36  63.171  -3.819  80.056
  703    HA   ASP  36           HA       ASP  36  61.106  -2.343  81.306
  704    HB2  ASP  36           HB2      ASP  36  60.901  -5.269  80.659
  705    HB3  ASP  36           HB1      ASP  36  59.667  -4.015  80.536
  706    H    ASN  37           HN       ASN  37  63.219  -4.903  82.562
  707    HA   ASN  37           HA       ASN  37  61.426  -5.377  84.802
  708    HB2  ASN  37           HB2      ASN  37  62.956  -7.080  85.452
  709    HB3  ASN  37           HB1      ASN  37  62.737  -7.182  83.709
  710   HD21  ASN  37          HD21      ASN  37  65.022  -8.380  84.351
  711   HD22  ASN  37          HD22      ASN  37  66.377  -7.382  84.129
  712    H    GLY  38           HN       GLY  38  64.258  -3.342  84.187
  713    HA2  GLY  38           HA2      GLY  38  64.268  -1.429  85.819
  714    HA3  GLY  38           HA1      GLY  38  64.285  -2.639  87.083
  715    H    VAL  39           HN       VAL  39  66.297  -3.979  84.836
  716    HA   VAL  39           HA       VAL  39  68.672  -2.533  85.911
  717    HB   VAL  39           HB       VAL  39  68.673  -4.631  86.999
  718   HG11  VAL  39          HG11      VAL  39  68.252  -6.730  85.945
  719   HG12  VAL  39          HG12      VAL  39  68.279  -6.005  84.341
  720   HG13  VAL  39          HG13      VAL  39  66.967  -5.650  85.445
  721   HG21  VAL  39          HG21      VAL  39  70.660  -5.708  86.181
  722   HG22  VAL  39          HG22      VAL  39  70.827  -3.993  85.826
  723   HG23  VAL  39          HG23      VAL  39  70.381  -5.113  84.550
  724    H    ASP  40           HN       ASP  40  69.482  -1.357  84.351
  725    HA   ASP  40           HA       ASP  40  70.035  -2.631  81.729
  726    HB2  ASP  40           HB2      ASP  40  68.168  -0.816  81.780
  727    HB3  ASP  40           HB1      ASP  40  69.489   0.323  82.022
  728    H    GLY  41           HN       GLY  41  72.277  -2.944  81.762
  729    HA2  GLY  41           HA2      GLY  41  73.923  -0.588  82.471
  730    HA3  GLY  41           HA1      GLY  41  74.232  -2.109  83.291
  731    H    GLU  42           HN       GLU  42  76.432  -2.122  82.405
  732    HA   GLU  42           HA       GLU  42  76.806  -2.112  79.591
  733    HB2  GLU  42           HB2      GLU  42  78.849  -3.248  81.471
  734    HB3  GLU  42           HB1      GLU  42  79.076  -2.245  80.043
  735    HG2  GLU  42           HG2      GLU  42  78.022  -1.354  82.739
  736    HG3  GLU  42           HG1      GLU  42  79.549  -0.893  81.990
  737    H    TRP  43           HN       TRP  43  76.937  -3.780  78.243
  738    HA   TRP  43           HA       TRP  43  76.140  -6.420  79.268
  739    HB2  TRP  43           HB2      TRP  43  75.916  -5.092  76.570
  740    HB3  TRP  43           HB1      TRP  43  75.541  -6.795  76.845
  741    HD1  TRP  43           HD1      TRP  43  74.293  -3.266  77.748
  742    HE1  TRP  43           HE1      TRP  43  71.908  -3.476  78.701
  743    HE3  TRP  43           HE3      TRP  43  73.893  -8.330  77.967
  744    HZ2  TRP  43           HZ2      TRP  43  70.075  -5.523  79.411
  745    HZ3  TRP  43           HZ3      TRP  43  71.816  -9.386  78.773
  746    HH2  TRP  43           HH2      TRP  43  69.899  -7.995  79.500
  747    H    THR  44           HN       THR  44  76.859  -8.230  78.190
  748    HA   THR  44           HA       THR  44  79.321  -8.246  76.689
  749    HB   THR  44           HB       THR  44  80.258  -8.084  78.933
  750    HG1  THR  44           HG1      THR  44  80.901  -9.820  77.341
  751   HG21  THR  44          HG21      THR  44  78.515  -8.666  80.396
  752   HG22  THR  44          HG22      THR  44  79.633 -10.018  80.539
  753   HG23  THR  44          HG23      THR  44  78.179 -10.182  79.561
  754    H    TYR  45           HN       TYR  45  79.759 -10.582  75.991
  755    HA   TYR  45           HA       TYR  45  77.638 -12.474  76.567
  756    HB2  TYR  45           HB2      TYR  45  76.454 -11.336  74.873
  757    HB3  TYR  45           HB1      TYR  45  77.890 -11.147  73.876
  758    HD1  TYR  45           HD1      TYR  45  76.216 -14.052  75.603
  759    HD2  TYR  45           HD2      TYR  45  77.832 -12.463  71.952
  760    HE1  TYR  45           HE1      TYR  45  75.703 -16.176  74.443
  761    HE2  TYR  45           HE2      TYR  45  77.320 -14.590  70.797
  762    HH   TYR  45           HH       TYR  45  76.230 -17.410  72.550
  763    H    ASP  46           HN       ASP  46  78.576 -14.351  76.771
  764    HA   ASP  46           HA       ASP  46  81.052 -14.881  75.259
  765    HB2  ASP  46           HB2      ASP  46  81.265 -15.266  77.671
  766    HB3  ASP  46           HB1      ASP  46  79.847 -16.326  77.648
  767    H    ASP  47           HN       ASP  47  80.642 -15.874  73.294
  768    HA   ASP  47           HA       ASP  47  78.206 -17.404  72.900
  769    HB2  ASP  47           HB2      ASP  47  79.346 -15.825  71.195
  770    HB3  ASP  47           HB1      ASP  47  80.459 -17.162  70.914
  771    H    ALA  48           HN       ALA  48  81.244 -18.023  74.092
  772    HA   ALA  48           HA       ALA  48  81.588 -20.688  73.032
  773    HB1  ALA  48           HB1      ALA  48  83.559 -20.752  74.303
  774    HB2  ALA  48           HB2      ALA  48  82.934 -19.623  75.505
  775    HB3  ALA  48           HB3      ALA  48  83.400 -19.042  73.907
  776    H    THR  49           HN       THR  49  79.918 -19.208  75.760
  777    HA   THR  49           HA       THR  49  79.142 -21.897  76.741
  778    HB   THR  49           HB       THR  49  78.905 -20.631  79.035
  779    HG1  THR  49           HG1      THR  49  79.506 -18.620  77.846
  780   HG21  THR  49          HG21      THR  49  81.570 -21.410  77.838
  781   HG22  THR  49          HG22      THR  49  80.475 -22.437  78.764
  782   HG23  THR  49          HG23      THR  49  81.314 -21.104  79.555
  783    H    LYS  50           HN       LYS  50  78.012 -19.510  74.963
  784    HA   LYS  50           HA       LYS  50  75.976 -18.459  74.673
  785    HB2  LYS  50           HB2      LYS  50  74.746 -20.810  76.103
  786    HB3  LYS  50           HB1      LYS  50  74.148 -19.933  74.698
  787    HG2  LYS  50           HG2      LYS  50  76.637 -21.678  74.682
  788    HG3  LYS  50           HG1      LYS  50  75.047 -22.206  74.145
  789    HD2  LYS  50           HD2      LYS  50  75.013 -20.383  72.476
  790    HD3  LYS  50           HD1      LYS  50  76.634 -19.903  72.975
  791    HE2  LYS  50           HE2      LYS  50  77.581 -21.950  72.204
  792    HE3  LYS  50           HE1      LYS  50  75.994 -22.700  72.029
  793    HZ1  LYS  50           HZ1      LYS  50  76.126 -22.042  69.919
  794    HZ2  LYS  50           HZ2      LYS  50  77.410 -20.973  70.226
  795    HZ3  LYS  50           HZ3      LYS  50  75.806 -20.478  70.492
  796    H    THR  51           HN       THR  51  77.231 -17.349  76.864
  797    HA   THR  51           HA       THR  51  74.993 -17.031  78.801
  798    HB   THR  51           HB       THR  51  77.944 -17.224  79.468
  799    HG1  THR  51           HG1      THR  51  75.727 -18.779  80.302
  800   HG21  THR  51          HG21      THR  51  76.970 -17.075  81.862
  801   HG22  THR  51          HG22      THR  51  75.534 -16.397  81.096
  802   HG23  THR  51          HG23      THR  51  77.085 -15.572  80.944
  803    H    PHE  52           HN       PHE  52  74.285 -14.957  79.101
  804    HA   PHE  52           HA       PHE  52  75.980 -12.694  78.224
  805    HB2  PHE  52           HB2      PHE  52  73.005 -13.069  78.574
  806    HB3  PHE  52           HB1      PHE  52  73.744 -11.492  78.291
  807    HD1  PHE  52           HD1      PHE  52  73.498 -14.956  76.884
  808    HD2  PHE  52           HD2      PHE  52  74.212 -10.789  76.113
  809    HE1  PHE  52           HE1      PHE  52  73.435 -15.383  74.440
  810    HE2  PHE  52           HE2      PHE  52  74.159 -11.225  73.679
  811    HZ   PHE  52           HZ       PHE  52  73.765 -13.516  72.843
  812    H    THR  53           HN       THR  53  75.889 -10.725  79.628
  813    HA   THR  53           HA       THR  53  74.707 -11.025  82.264
  814    HB   THR  53           HB       THR  53  76.652 -10.735  83.604
  815    HG1  THR  53           HG1      THR  53  77.947  -9.440  82.511
  816   HG21  THR  53          HG21      THR  53  77.388 -12.812  81.523
  817   HG22  THR  53          HG22      THR  53  76.261 -13.071  82.841
  818   HG23  THR  53          HG23      THR  53  77.947 -12.752  83.193
  819    H    VAL  54           HN       VAL  54  73.880  -9.000  82.909
  820    HA   VAL  54           HA       VAL  54  75.008  -6.603  81.552
  821    HB   VAL  54           HB       VAL  54  72.677  -7.125  80.925
  822   HG11  VAL  54          HG11      VAL  54  71.975  -6.591  83.817
  823   HG12  VAL  54          HG12      VAL  54  72.177  -8.215  83.171
  824   HG13  VAL  54          HG13      VAL  54  70.910  -7.166  82.537
  825   HG21  VAL  54          HG21      VAL  54  73.511  -4.747  81.072
  826   HG22  VAL  54          HG22      VAL  54  72.842  -4.660  82.701
  827   HG23  VAL  54          HG23      VAL  54  71.770  -4.894  81.321
  828    H    THR  55           HN       THR  55  76.030  -5.157  82.842
  829    HA   THR  55           HA       THR  55  75.424  -5.140  85.750
  830    HB   THR  55           HB       THR  55  77.675  -6.190  84.923
  831    HG1  THR  55           HG1      THR  55  76.909  -4.877  87.067
  832   HG21  THR  55          HG21      THR  55  78.167  -4.133  83.480
  833   HG22  THR  55          HG22      THR  55  79.479  -4.686  84.516
  834   HG23  THR  55          HG23      THR  55  78.516  -3.284  84.984
  835    H    GLU  56           HN       GLU  56  74.651  -3.211  86.491
  836    HA   GLU  56           HA       GLU  56  75.329  -0.754  84.967
  837    HB2  GLU  56           HB2      GLU  56  73.247   0.081  86.388
  838    HB3  GLU  56           HB1      GLU  56  73.012  -0.844  84.905
  839    HG2  GLU  56           HG2      GLU  56  72.803  -2.909  86.185
  840    HG3  GLU  56           HG1      GLU  56  73.102  -2.036  87.687
  841    H1   MET   1           HT1      MET   1  42.467 -35.700  78.936
  842    H2   MET   1           HT2      MET   1  41.765 -34.157  78.826
  843    H3   MET   1           HT3      MET   1  40.954 -35.408  79.642
  844    HA   MET   1           HA       MET   1  42.491 -35.435  81.390
  845    HB2  MET   1           HB2      MET   1  44.682 -34.893  81.044
  846    HB3  MET   1           HB1      MET   1  44.260 -34.599  79.370
  847    HG2  MET   1           HG2      MET   1  43.614 -32.190  80.225
  848    HG3  MET   1           HG1      MET   1  44.615 -32.619  81.609
  849    HE1  MET   1           HE1      MET   1  45.000 -33.395  77.592
  850    HE2  MET   1           HE2      MET   1  45.726 -31.827  77.302
  851    HE3  MET   1           HE3      MET   1  44.138 -31.924  78.054
  852    H    GLN   2           HN       GLN   2  43.054 -33.208  82.836
  853    HA   GLN   2           HA       GLN   2  40.684 -31.450  82.497
  854    HB2  GLN   2           HB2      GLN   2  41.813 -32.695  85.011
  855    HB3  GLN   2           HB1      GLN   2  40.633 -31.386  85.015
  856    HG2  GLN   2           HG2      GLN   2  39.026 -32.757  83.819
  857    HG3  GLN   2           HG1      GLN   2  40.215 -34.045  83.625
  858   HE21  GLN   2          HE21      GLN   2  41.199 -33.457  86.587
  859   HE22  GLN   2          HE22      GLN   2  40.021 -34.218  87.543
  860    H    TYR   3           HN       TYR   3  40.881 -29.343  83.028
  861    HA   TYR   3           HA       TYR   3  43.587 -28.310  83.664
  862    HB2  TYR   3           HB2      TYR   3  41.370 -27.060  82.032
  863    HB3  TYR   3           HB1      TYR   3  42.909 -26.293  82.438
  864    HD1  TYR   3           HD2      TYR   3  45.064 -27.428  81.729
  865    HD2  TYR   3           HD1      TYR   3  41.210 -28.563  80.209
  866    HE1  TYR   3           HE2      TYR   3  46.138 -28.519  79.785
  867    HE2  TYR   3           HE1      TYR   3  42.308 -29.656  78.268
  868    HH   TYR   3           HH       TYR   3  45.844 -29.780  77.995
  869    H    LYS   4           HN       LYS   4  43.685 -26.830  85.300
  870    HA   LYS   4           HA       LYS   4  41.123 -26.273  86.710
  871    HB2  LYS   4           HB2      LYS   4  42.781 -27.937  87.761
  872    HB3  LYS   4           HB1      LYS   4  43.802 -26.540  88.069
  873    HG2  LYS   4           HG2      LYS   4  42.551 -25.926  89.881
  874    HG3  LYS   4           HG1      LYS   4  41.059 -25.991  88.958
  875    HD2  LYS   4           HD2      LYS   4  41.081 -28.510  89.258
  876    HD3  LYS   4           HD1      LYS   4  42.442 -28.301  90.359
  877    HE2  LYS   4           HE2      LYS   4  39.828 -26.832  90.742
  878    HE3  LYS   4           HE1      LYS   4  40.117 -28.430  91.428
  879    HZ1  LYS   4           HZ1      LYS   4  42.094 -26.298  91.844
  880    HZ2  LYS   4           HZ2      LYS   4  41.744 -27.648  92.814
  881    HZ3  LYS   4           HZ3      LYS   4  40.685 -26.319  92.789
  882    H    LEU   5           HN       LEU   5  40.636 -24.189  87.059
  883    HA   LEU   5           HA       LEU   5  42.767 -22.168  86.667
  884    HB2  LEU   5           HB2      LEU   5  40.977 -22.008  85.033
  885    HB3  LEU   5           HB1      LEU   5  39.774 -22.024  86.292
  886    HG   LEU   5           HG       LEU   5  40.414 -19.773  85.104
  887   HD11  LEU   5          HD11      LEU   5  40.033 -19.983  88.086
  888   HD12  LEU   5          HD12      LEU   5  38.795 -19.818  86.851
  889   HD13  LEU   5          HD13      LEU   5  39.907 -18.490  87.168
  890   HD21  LEU   5          HD21      LEU   5  42.903 -20.097  85.759
  891   HD22  LEU   5          HD22      LEU   5  42.402 -19.500  87.328
  892   HD23  LEU   5          HD23      LEU   5  42.183 -18.509  85.902
  893    H    ILE   6           HN       ILE   6  43.336 -20.882  88.337
  894    HA   ILE   6           HA       ILE   6  41.829 -21.144  90.870
  895    HB   ILE   6           HB       ILE   6  44.495 -19.793  90.401
  896   HG12  ILE   6          HG12      ILE   6  44.734 -22.138  89.805
  897   HG13  ILE   6          HG11      ILE   6  45.462 -21.889  91.389
  898   HG21  ILE   6          HG21      ILE   6  43.392 -19.044  92.401
  899   HG22  ILE   6          HG22      ILE   6  44.673 -20.158  92.880
  900   HG23  ILE   6          HG23      ILE   6  42.996 -20.699  92.862
  901   HD11  ILE   6          HD11      ILE   6  42.867 -23.231  90.681
  902   HD12  ILE   6          HD12      ILE   6  43.132 -22.593  92.304
  903   HD13  ILE   6          HD13      ILE   6  44.196 -23.843  91.662
  904    H    LEU   7           HN       LEU   7  40.652 -19.521  91.594
  905    HA   LEU   7           HA       LEU   7  40.525 -17.070  89.997
  906    HB2  LEU   7           HB2      LEU   7  38.777 -18.290  92.129
  907    HB3  LEU   7           HB1      LEU   7  38.594 -16.602  91.677
  908    HG   LEU   7           HG       LEU   7  38.562 -17.736  89.186
  909   HD11  LEU   7          HD11      LEU   7  37.148 -19.764  89.307
  910   HD12  LEU   7          HD12      LEU   7  37.323 -19.768  91.061
  911   HD13  LEU   7          HD13      LEU   7  38.732 -20.029  90.034
  912   HD21  LEU   7          HD21      LEU   7  36.876 -16.202  90.151
  913   HD22  LEU   7          HD22      LEU   7  36.191 -17.550  91.057
  914   HD23  LEU   7          HD23      LEU   7  36.122 -17.547  89.299
  915    H    ASN   8           HN       ASN   8  41.810 -15.493  90.501
  916    HA   ASN   8           HA       ASN   8  42.074 -14.673  93.314
  917    HB2  ASN   8           HB2      ASN   8  44.465 -13.953  92.506
  918    HB3  ASN   8           HB1      ASN   8  44.188 -15.617  93.017
  919   HD21  ASN   8          HD21      ASN   8  45.743 -13.947  90.650
  920   HD22  ASN   8          HD22      ASN   8  45.604 -15.054  89.370
  921    H    GLY   9           HN       GLY   9  40.424 -13.173  92.786
  922    HA2  GLY   9           HA2      GLY   9  41.258 -10.996  90.944
  923    HA3  GLY   9           HA1      GLY   9  39.586 -11.506  91.140
  924    H    LYS  10           HN       LYS  10  39.096  -9.304  91.698
  925    HA   LYS  10           HA       LYS  10  40.286  -8.085  93.974
  926    HB2  LYS  10           HB2      LYS  10  37.537  -7.364  92.953
  927    HB3  LYS  10           HB1      LYS  10  38.757  -6.315  93.676
  928    HG2  LYS  10           HG2      LYS  10  40.212  -7.056  91.594
  929    HG3  LYS  10           HG1      LYS  10  38.647  -7.459  90.890
  930    HD2  LYS  10           HD2      LYS  10  37.871  -5.141  91.363
  931    HD3  LYS  10           HD1      LYS  10  39.482  -4.752  91.969
  932    HE2  LYS  10           HE2      LYS  10  40.382  -5.519  89.713
  933    HE3  LYS  10           HE1      LYS  10  38.710  -5.543  89.153
  934    HZ1  LYS  10           HZ1      LYS  10  40.423  -3.284  89.780
  935    HZ2  LYS  10           HZ2      LYS  10  38.806  -3.145  90.283
  936    HZ3  LYS  10           HZ3      LYS  10  39.168  -3.414  88.645
  937    H    THR  11           HN       THR  11  37.080  -9.750  93.594
  938    HA   THR  11           HA       THR  11  37.244 -10.429  96.469
  939    HB   THR  11           HB       THR  11  34.716 -10.141  96.502
  940    HG1  THR  11           HG1      THR  11  35.061  -8.331  94.416
  941   HG21  THR  11          HG21      THR  11  34.952  -7.648  96.744
  942   HG22  THR  11          HG22      THR  11  36.587  -7.804  96.101
  943   HG23  THR  11          HG23      THR  11  36.159  -8.584  97.624
  944    H    LEU  12           HN       LEU  12  36.839 -11.495  93.272
  945    HA   LEU  12           HA       LEU  12  35.269 -13.824  93.992
  946    HB2  LEU  12           HB2      LEU  12  35.648 -12.344  91.639
  947    HB3  LEU  12           HB1      LEU  12  36.494 -13.852  91.312
  948    HG   LEU  12           HG       LEU  12  33.603 -13.506  92.140
  949   HD11  LEU  12          HD11      LEU  12  33.131 -14.545  89.993
  950   HD12  LEU  12          HD12      LEU  12  34.848 -14.789  89.689
  951   HD13  LEU  12          HD13      LEU  12  34.180 -13.154  89.735
  952   HD21  LEU  12          HD21      LEU  12  33.908 -16.191  91.614
  953   HD22  LEU  12          HD22      LEU  12  33.906 -15.492  93.224
  954   HD23  LEU  12          HD23      LEU  12  35.434 -15.827  92.417
  955    H    LYS  13           HN       LYS  13  36.288 -15.408  95.084
  956    HA   LYS  13           HA       LYS  13  38.845 -16.402  93.993
  957    HB2  LYS  13           HB2      LYS  13  38.291 -15.732  96.894
  958    HB3  LYS  13           HB1      LYS  13  39.569 -16.834  96.403
  959    HG2  LYS  13           HG2      LYS  13  40.882 -14.962  96.296
  960    HG3  LYS  13           HG1      LYS  13  40.091 -14.677  94.753
  961    HD2  LYS  13           HD2      LYS  13  38.257 -13.499  96.327
  962    HD3  LYS  13           HD1      LYS  13  39.646 -13.330  97.401
  963    HE2  LYS  13           HE2      LYS  13  39.675 -11.359  96.091
  964    HE3  LYS  13           HE1      LYS  13  40.883 -12.397  95.330
  965    HZ1  LYS  13           HZ1      LYS  13  38.167 -12.731  94.377
  966    HZ2  LYS  13           HZ2      LYS  13  39.623 -12.677  93.509
  967    HZ3  LYS  13           HZ3      LYS  13  38.876 -11.237  94.008
  968    H    GLY  14           HN       GLY  14  39.032 -18.519  93.897
  969    HA2  GLY  14           HA2      GLY  14  37.929 -20.484  95.496
  970    HA3  GLY  14           HA1      GLY  14  36.746 -20.182  94.222
  971    H    GLU  15           HN       GLU  15  37.144 -22.344  93.332
  972    HA   GLU  15           HA       GLU  15  39.632 -22.484  91.722
  973    HB2  GLU  15           HB2      GLU  15  38.178 -24.893  92.828
  974    HB3  GLU  15           HB1      GLU  15  39.724 -24.855  91.981
  975    HG2  GLU  15           HG2      GLU  15  39.263 -23.420  94.586
  976    HG3  GLU  15           HG1      GLU  15  39.829 -25.082  94.498
  977    H    THR  16           HN       THR  16  39.353 -23.722  89.711
  978    HA   THR  16           HA       THR  16  36.594 -24.247  88.888
  979    HB   THR  16           HB       THR  16  37.729 -22.827  86.692
  980    HG1  THR  16           HG1      THR  16  39.130 -21.852  88.177
  981   HG21  THR  16          HG21      THR  16  35.362 -22.942  87.184
  982   HG22  THR  16          HG22      THR  16  35.877 -21.255  87.138
  983   HG23  THR  16          HG23      THR  16  35.604 -22.052  88.687
  984    H    THR  17           HN       THR  17  36.458 -25.887  87.412
  985    HA   THR  17           HA       THR  17  38.898 -26.671  86.000
  986    HB   THR  17           HB       THR  17  37.443 -28.838  87.486
  987    HG1  THR  17           HG1      THR  17  38.086 -27.185  88.978
  988   HG21  THR  17          HG21      THR  17  39.450 -30.041  87.155
  989   HG22  THR  17          HG22      THR  17  40.382 -28.578  86.852
  990   HG23  THR  17          HG23      THR  17  39.243 -29.165  85.646
  991    H    THR  18           HN       THR  18  38.603 -28.189  84.345
  992    HA   THR  18           HA       THR  18  35.937 -28.922  83.513
  993    HB   THR  18           HB       THR  18  36.300 -26.532  82.714
  994    HG1  THR  18           HG1      THR  18  36.010 -28.587  80.783
  995   HG21  THR  18          HG21      THR  18  37.922 -26.024  81.128
  996   HG22  THR  18          HG22      THR  18  38.074 -27.697  80.596
  997   HG23  THR  18          HG23      THR  18  38.801 -27.189  82.119
  998    H    GLU  19           HN       GLU  19  35.990 -30.461  81.801
  999    HA   GLU  19           HA       GLU  19  38.578 -31.878  81.551
 1000    HB2  GLU  19           HB2      GLU  19  36.556 -33.073  82.476
 1001    HB3  GLU  19           HB1      GLU  19  35.771 -32.832  80.920
 1002    HG2  GLU  19           HG2      GLU  19  36.668 -34.929  80.528
 1003    HG3  GLU  19           HG1      GLU  19  38.045 -33.961  80.017
 1004    H    ALA  20           HN       ALA  20  39.651 -31.349  79.736
 1005    HA   ALA  20           HA       ALA  20  38.226 -31.391  77.165
 1006    HB1  ALA  20           HB1      ALA  20  39.001 -29.282  76.453
 1007    HB2  ALA  20           HB2      ALA  20  40.121 -29.133  77.800
 1008    HB3  ALA  20           HB3      ALA  20  38.388 -28.999  78.078
 1009    H    VAL  21           HN       VAL  21  39.654 -31.543  75.333
 1010    HA   VAL  21           HA       VAL  21  41.814 -33.354  75.771
 1011    HB   VAL  21           HB       VAL  21  40.708 -33.715  73.737
 1012   HG11  VAL  21          HG11      VAL  21  40.712 -30.702  73.462
 1013   HG12  VAL  21          HG12      VAL  21  39.325 -31.774  73.616
 1014   HG13  VAL  21          HG13      VAL  21  40.278 -31.772  72.135
 1015   HG21  VAL  21          HG21      VAL  21  42.867 -31.842  72.742
 1016   HG22  VAL  21          HG22      VAL  21  42.310 -33.353  72.025
 1017   HG23  VAL  21          HG23      VAL  21  43.267 -33.381  73.505
 1018    H    ASP  22           HN       ASP  22  41.481 -29.969  74.847
 1019    HA   ASP  22           HA       ASP  22  44.407 -29.618  75.248
 1020    HB2  ASP  22           HB2      ASP  22  43.594 -29.236  72.919
 1021    HB3  ASP  22           HB1      ASP  22  42.592 -27.925  73.538
 1022    H    ALA  23           HN       ALA  23  45.124 -27.690  76.140
 1023    HA   ALA  23           HA       ALA  23  43.482 -26.737  78.294
 1024    HB1  ALA  23           HB1      ALA  23  45.456 -26.061  79.183
 1025    HB2  ALA  23           HB2      ALA  23  45.972 -25.255  77.697
 1026    HB3  ALA  23           HB3      ALA  23  46.180 -26.995  77.877
 1027    H    ALA  24           HN       ALA  24  44.783 -25.371  75.291
 1028    HA   ALA  24           HA       ALA  24  43.813 -22.752  75.592
 1029    HB1  ALA  24           HB1      ALA  24  44.240 -22.459  73.278
 1030    HB2  ALA  24           HB2      ALA  24  43.950 -24.163  72.923
 1031    HB3  ALA  24           HB3      ALA  24  45.410 -23.678  73.785
 1032    H    THR  25           HN       THR  25  42.105 -25.739  74.320
 1033    HA   THR  25           HA       THR  25  39.786 -24.326  73.458
 1034    HB   THR  25           HB       THR  25  40.616 -26.808  72.948
 1035    HG1  THR  25           HG1      THR  25  38.311 -25.449  72.755
 1036   HG21  THR  25          HG21      THR  25  39.604 -28.545  74.164
 1037   HG22  THR  25          HG22      THR  25  38.404 -27.476  74.887
 1038   HG23  THR  25          HG23      THR  25  40.070 -27.433  75.446
 1039    H    ALA  26           HN       ALA  26  40.750 -25.826  76.512
 1040    HA   ALA  26           HA       ALA  26  38.237 -25.516  77.827
 1041    HB1  ALA  26           HB1      ALA  26  39.554 -27.124  78.864
 1042    HB2  ALA  26           HB2      ALA  26  39.876 -25.741  79.903
 1043    HB3  ALA  26           HB3      ALA  26  41.035 -26.192  78.659
 1044    H    GLU  27           HN       GLU  27  41.105 -23.559  77.501
 1045    HA   GLU  27           HA       GLU  27  40.675 -21.626  79.467
 1046    HB2  GLU  27           HB2      GLU  27  42.582 -20.730  78.592
 1047    HB3  GLU  27           HB1      GLU  27  42.560 -22.077  77.459
 1048    HG2  GLU  27           HG2      GLU  27  41.135 -20.658  75.922
 1049    HG3  GLU  27           HG1      GLU  27  41.393 -19.310  77.020
 1050    H    LYS  28           HN       LYS  28  39.178 -22.039  76.349
 1051    HA   LYS  28           HA       LYS  28  38.253 -19.457  75.865
 1052    HB2  LYS  28           HB2      LYS  28  36.785 -22.058  75.333
 1053    HB3  LYS  28           HB1      LYS  28  36.436 -20.507  74.574
 1054    HG2  LYS  28           HG2      LYS  28  38.894 -20.522  73.803
 1055    HG3  LYS  28           HG1      LYS  28  38.896 -22.229  74.253
 1056    HD2  LYS  28           HD2      LYS  28  37.096 -20.885  72.206
 1057    HD3  LYS  28           HD1      LYS  28  38.342 -22.094  71.892
 1058    HE2  LYS  28           HE2      LYS  28  36.987 -23.630  73.499
 1059    HE3  LYS  28           HE1      LYS  28  35.677 -22.476  73.291
 1060    HZ1  LYS  28           HZ1      LYS  28  36.981 -24.029  71.027
 1061    HZ2  LYS  28           HZ2      LYS  28  35.708 -22.923  70.832
 1062    HZ3  LYS  28           HZ3      LYS  28  35.451 -24.370  71.684
 1063    H    VAL  29           HN       VAL  29  36.844 -22.032  77.845
 1064    HA   VAL  29           HA       VAL  29  34.546 -20.515  78.606
 1065    HB   VAL  29           HB       VAL  29  35.767 -22.816  80.134
 1066   HG11  VAL  29          HG11      VAL  29  33.434 -23.219  80.770
 1067   HG12  VAL  29          HG12      VAL  29  32.906 -21.876  79.755
 1068   HG13  VAL  29          HG13      VAL  29  33.890 -21.567  81.185
 1069   HG21  VAL  29          HG21      VAL  29  34.336 -24.262  78.690
 1070   HG22  VAL  29          HG22      VAL  29  35.606 -23.454  77.772
 1071   HG23  VAL  29          HG23      VAL  29  33.950 -22.854  77.701
 1072    H    PHE  30           HN       PHE  30  37.562 -21.358  80.319
 1073    HA   PHE  30           HA       PHE  30  37.069 -19.938  82.673
 1074    HB2  PHE  30           HB2      PHE  30  39.700 -20.610  81.379
 1075    HB3  PHE  30           HB1      PHE  30  39.508 -20.051  83.028
 1076    HD1  PHE  30           HD1      PHE  30  37.217 -21.561  84.102
 1077    HD2  PHE  30           HD2      PHE  30  40.320 -22.853  81.409
 1078    HE1  PHE  30           HE1      PHE  30  36.873 -23.896  84.813
 1079    HE2  PHE  30           HE2      PHE  30  39.972 -25.182  82.148
 1080    HZ   PHE  30           HZ       PHE  30  38.250 -25.706  83.843
 1081    H    LYS  31           HN       LYS  31  38.834 -18.835  79.748
 1082    HA   LYS  31           HA       LYS  31  39.502 -16.327  80.938
 1083    HB2  LYS  31           HB2      LYS  31  39.613 -17.454  78.167
 1084    HB3  LYS  31           HB1      LYS  31  39.658 -15.701  78.323
 1085    HG2  LYS  31           HG2      LYS  31  41.551 -15.990  79.988
 1086    HG3  LYS  31           HG1      LYS  31  41.579 -17.700  79.549
 1087    HD2  LYS  31           HD2      LYS  31  41.997 -17.102  77.208
 1088    HD3  LYS  31           HD1      LYS  31  41.911 -15.393  77.615
 1089    HE2  LYS  31           HE2      LYS  31  43.871 -15.551  79.003
 1090    HE3  LYS  31           HE1      LYS  31  43.895 -17.311  78.852
 1091    HZ1  LYS  31           HZ1      LYS  31  45.019 -15.395  77.136
 1092    HZ2  LYS  31           HZ2      LYS  31  43.818 -16.244  76.285
 1093    HZ3  LYS  31           HZ3      LYS  31  45.094 -17.087  77.025
 1094    H    GLN  32           HN       GLN  32  36.874 -17.373  78.796
 1095    HA   GLN  32           HA       GLN  32  35.664 -14.796  78.628
 1096    HB2  GLN  32           HB2      GLN  32  35.345 -16.766  77.055
 1097    HB3  GLN  32           HB1      GLN  32  34.296 -17.462  78.291
 1098    HG2  GLN  32           HG2      GLN  32  32.910 -15.398  78.240
 1099    HG3  GLN  32           HG1      GLN  32  33.926 -14.771  76.945
 1100   HE21  GLN  32          HE21      GLN  32  30.984 -16.354  77.459
 1101   HE22  GLN  32          HE22      GLN  32  30.847 -17.155  75.970
 1102    H    TYR  33           HN       TYR  33  35.394 -17.543  80.785
 1103    HA   TYR  33           HA       TYR  33  33.037 -16.779  82.130
 1104    HB2  TYR  33           HB2      TYR  33  33.769 -19.027  82.304
 1105    HB3  TYR  33           HB1      TYR  33  35.381 -18.526  82.807
 1106    HD1  TYR  33           HD1      TYR  33  31.809 -18.127  83.822
 1107    HD2  TYR  33           HD2      TYR  33  35.895 -18.542  85.086
 1108    HE1  TYR  33           HE1      TYR  33  31.074 -18.177  86.190
 1109    HE2  TYR  33           HE2      TYR  33  35.158 -18.594  87.449
 1110    HH   TYR  33           HH       TYR  33  33.061 -19.180  88.710
 1111    H    ALA  34           HN       ALA  34  36.482 -16.173  82.765
 1112    HA   ALA  34           HA       ALA  34  36.198 -14.954  85.276
 1113    HB1  ALA  34           HB1      ALA  34  38.313 -15.573  83.594
 1114    HB2  ALA  34           HB2      ALA  34  38.461 -14.701  85.119
 1115    HB3  ALA  34           HB3      ALA  34  38.341 -13.811  83.602
 1116    H    ASN  35           HN       ASN  35  35.871 -13.570  81.961
 1117    HA   ASN  35           HA       ASN  35  35.704 -10.881  82.877
 1118    HB2  ASN  35           HB2      ASN  35  36.185 -11.910  80.487
 1119    HB3  ASN  35           HB1      ASN  35  34.434 -11.804  80.317
 1120   HD21  ASN  35          HD21      ASN  35  33.617  -9.711  79.671
 1121   HD22  ASN  35          HD22      ASN  35  34.525  -8.280  79.762
 1122    H    ASP  36           HN       ASP  36  33.314 -13.352  81.933
 1123    HA   ASP  36           HA       ASP  36  31.018 -11.760  82.353
 1124    HB2  ASP  36           HB2      ASP  36  31.068 -14.757  82.568
 1125    HB3  ASP  36           HB1      ASP  36  29.795 -13.715  81.931
 1126    H    ASN  37           HN       ASN  37  32.980 -13.614  84.632
 1127    HA   ASN  37           HA       ASN  37  30.834 -13.596  86.606
 1128    HB2  ASN  37           HB2      ASN  37  32.235 -14.974  87.911
 1129    HB3  ASN  37           HB1      ASN  37  32.393 -15.521  86.248
 1130   HD21  ASN  37          HD21      ASN  37  34.502 -16.355  87.612
 1131   HD22  ASN  37          HD22      ASN  37  35.860 -15.355  87.421
 1132    H    GLY  38           HN       GLY  38  33.689 -11.630  85.886
 1133    HA2  GLY  38           HA2      GLY  38  33.371  -9.343  86.912
 1134    HA3  GLY  38           HA1      GLY  38  33.262 -10.178  88.449
 1135    H    VAL  39           HN       VAL  39  35.578 -11.994  87.111
 1136    HA   VAL  39           HA       VAL  39  37.750 -10.129  87.939
 1137    HB   VAL  39           HB       VAL  39  37.688 -11.788  89.597
 1138   HG11  VAL  39          HG11      VAL  39  37.463 -14.185  89.124
 1139   HG12  VAL  39          HG12      VAL  39  37.386 -13.844  87.396
 1140   HG13  VAL  39          HG13      VAL  39  36.105 -13.286  88.464
 1141   HG21  VAL  39          HG21      VAL  39  39.745 -12.989  89.360
 1142   HG22  VAL  39          HG22      VAL  39  39.947 -11.500  88.439
 1143   HG23  VAL  39          HG23      VAL  39  39.608 -13.010  87.605
 1144    H    ASP  40           HN       ASP  40  38.734  -9.396  86.213
 1145    HA   ASP  40           HA       ASP  40  39.714 -11.315  84.174
 1146    HB2  ASP  40           HB2      ASP  40  37.794  -9.717  83.448
 1147    HB3  ASP  40           HB1      ASP  40  39.013  -8.450  83.529
 1148    H    GLY  41           HN       GLY  41  41.947 -11.425  84.580
 1149    HA2  GLY  41           HA2      GLY  41  43.375  -8.836  84.773
 1150    HA3  GLY  41           HA1      GLY  41  43.633 -10.038  86.022
 1151    H    GLU  42           HN       GLU  42  45.916 -10.182  85.498
 1152    HA   GLU  42           HA       GLU  42  46.762 -10.854  82.873
 1153    HB2  GLU  42           HB2      GLU  42  48.436 -11.371  85.299
 1154    HB3  GLU  42           HB1      GLU  42  48.923 -10.766  83.720
 1155    HG2  GLU  42           HG2      GLU  42  47.416  -9.256  85.871
 1156    HG3  GLU  42           HG1      GLU  42  49.040  -8.924  85.275
 1157    H    TRP  43           HN       TRP  43  47.594 -12.902  82.204
 1158    HA   TRP  43           HA       TRP  43  46.525 -15.197  83.761
 1159    HB2  TRP  43           HB2      TRP  43  46.552 -14.695  80.796
 1160    HB3  TRP  43           HB1      TRP  43  46.134 -16.241  81.529
 1161    HD1  TRP  43           HD1      TRP  43  44.809 -12.623  81.231
 1162    HE1  TRP  43           HE1      TRP  43  42.296 -12.677  81.823
 1163    HE3  TRP  43           HE3      TRP  43  44.408 -17.445  82.724
 1164    HZ2  TRP  43           HZ2      TRP  43  40.369 -14.563  82.784
 1165    HZ3  TRP  43           HZ3      TRP  43  42.249 -18.361  83.457
 1166    HH2  TRP  43           HH2      TRP  43  40.221 -16.937  83.495
 1167    H    THR  44           HN       THR  44  47.570 -16.930  83.863
 1168    HA   THR  44           HA       THR  44  50.004 -17.409  82.338
 1169    HB   THR  44           HB       THR  44  50.738 -16.784  84.550
 1170    HG1  THR  44           HG1      THR  44  51.609 -18.677  83.549
 1171   HG21  THR  44          HG21      THR  44  48.602 -16.999  85.668
 1172   HG22  THR  44          HG22      THR  44  49.834 -17.929  86.519
 1173   HG23  THR  44          HG23      THR  44  48.670 -18.752  85.483
 1174    H    TYR  45           HN       TYR  45  50.437 -19.869  82.069
 1175    HA   TYR  45           HA       TYR  45  48.056 -21.396  82.852
 1176    HB2  TYR  45           HB2      TYR  45  47.317 -20.916  80.701
 1177    HB3  TYR  45           HB1      TYR  45  48.943 -20.981  80.028
 1178    HD1  TYR  45           HD1      TYR  45  47.144 -23.400  82.300
 1179    HD2  TYR  45           HD2      TYR  45  48.992 -22.723  78.480
 1180    HE1  TYR  45           HE1      TYR  45  46.958 -25.803  81.774
 1181    HE2  TYR  45           HE2      TYR  45  48.793 -25.129  77.958
 1182    HH   TYR  45           HH       TYR  45  47.789 -27.440  80.373
 1183    H    ASP  46           HN       ASP  46  48.712 -23.048  83.938
 1184    HA   ASP  46           HA       ASP  46  51.377 -24.029  83.383
 1185    HB2  ASP  46           HB2      ASP  46  50.449 -23.865  85.848
 1186    HB3  ASP  46           HB1      ASP  46  49.524 -25.298  85.406
 1187    H    ASP  47           HN       ASP  47  51.644 -25.345  81.728
 1188    HA   ASP  47           HA       ASP  47  49.436 -27.240  81.110
 1189    HB2  ASP  47           HB2      ASP  47  50.772 -25.803  79.312
 1190    HB3  ASP  47           HB1      ASP  47  51.956 -27.100  79.487
 1191    H    ALA  48           HN       ALA  48  52.231 -26.818  82.718
 1192    HA   ALA  48           HA       ALA  48  53.451 -29.369  82.510
 1193    HB1  ALA  48           HB1      ALA  48  55.047 -28.367  83.871
 1194    HB2  ALA  48           HB2      ALA  48  53.845 -27.503  84.825
 1195    HB3  ALA  48           HB3      ALA  48  54.275 -26.924  83.214
 1196    H    THR  49           HN       THR  49  50.929 -27.937  84.489
 1197    HA   THR  49           HA       THR  49  50.402 -30.471  85.900
 1198    HB   THR  49           HB       THR  49  49.537 -28.839  87.794
 1199    HG1  THR  49           HG1      THR  49  50.168 -27.045  86.258
 1200   HG21  THR  49          HG21      THR  49  52.432 -29.464  87.245
 1201   HG22  THR  49          HG22      THR  49  51.307 -30.335  88.288
 1202   HG23  THR  49          HG23      THR  49  51.886 -28.735  88.754
 1203    H    LYS  50           HN       LYS  50  49.353 -28.422  83.573
 1204    HA   LYS  50           HA       LYS  50  47.302 -27.907  82.671
 1205    HB2  LYS  50           HB2      LYS  50  46.043 -29.929  84.520
 1206    HB3  LYS  50           HB1      LYS  50  45.578 -29.497  82.877
 1207    HG2  LYS  50           HG2      LYS  50  48.139 -30.957  83.620
 1208    HG3  LYS  50           HG1      LYS  50  46.685 -31.722  82.993
 1209    HD2  LYS  50           HD2      LYS  50  46.849 -30.355  80.952
 1210    HD3  LYS  50           HD1      LYS  50  48.320 -29.610  81.566
 1211    HE2  LYS  50           HE2      LYS  50  49.509 -31.675  81.500
 1212    HE3  LYS  50           HE1      LYS  50  48.032 -32.595  81.214
 1213    HZ1  LYS  50           HZ1      LYS  50  48.509 -32.372  79.066
 1214    HZ2  LYS  50           HZ2      LYS  50  49.691 -31.187  79.354
 1215    HZ3  LYS  50           HZ3      LYS  50  48.057 -30.746  79.218
 1216    H    THR  51           HN       THR  51  48.107 -26.103  84.599
 1217    HA   THR  51           HA       THR  51  45.531 -25.520  85.960
 1218    HB   THR  51           HB       THR  51  48.259 -25.404  87.278
 1219    HG1  THR  51           HG1      THR  51  45.912 -26.701  88.134
 1220   HG21  THR  51          HG21      THR  51  46.862 -24.637  89.280
 1221   HG22  THR  51          HG22      THR  51  45.577 -24.288  88.124
 1222   HG23  THR  51          HG23      THR  51  47.118 -23.436  88.013
 1223    H    PHE  52           HN       PHE  52  44.742 -23.487  85.610
 1224    HA   PHE  52           HA       PHE  52  46.512 -21.411  84.485
 1225    HB2  PHE  52           HB2      PHE  52  43.531 -21.847  84.483
 1226    HB3  PHE  52           HB1      PHE  52  44.286 -20.374  83.881
 1227    HD1  PHE  52           HD1      PHE  52  44.364 -24.108  83.491
 1228    HD2  PHE  52           HD2      PHE  52  44.940 -20.267  81.648
 1229    HE1  PHE  52           HE1      PHE  52  44.607 -25.193  81.270
 1230    HE2  PHE  52           HE2      PHE  52  45.193 -21.358  79.444
 1231    HZ   PHE  52           HZ       PHE  52  45.018 -23.810  79.254
 1232    H    THR  53           HN       THR  53  46.217 -19.172  85.294
 1233    HA   THR  53           HA       THR  53  44.619 -18.849  87.717
 1234    HB   THR  53           HB       THR  53  46.364 -18.034  89.148
 1235    HG1  THR  53           HG1      THR  53  47.779 -17.057  87.881
 1236   HG21  THR  53          HG21      THR  53  47.503 -20.554  87.926
 1237   HG22  THR  53          HG22      THR  53  46.084 -20.548  88.955
 1238   HG23  THR  53          HG23      THR  53  47.624 -20.014  89.599
 1239    H    VAL  54           HN       VAL  54  43.610 -16.798  87.631
 1240    HA   VAL  54           HA       VAL  54  44.881 -14.782  85.869
 1241    HB   VAL  54           HB       VAL  54  42.697 -15.601  85.059
 1242   HG11  VAL  54          HG11      VAL  54  41.538 -14.268  87.513
 1243   HG12  VAL  54          HG12      VAL  54  41.819 -16.004  87.415
 1244   HG13  VAL  54          HG13      VAL  54  40.687 -15.230  86.307
 1245   HG21  VAL  54          HG21      VAL  54  43.528 -13.244  84.653
 1246   HG22  VAL  54          HG22      VAL  54  42.566 -12.725  86.036
 1247   HG23  VAL  54          HG23      VAL  54  41.772 -13.395  84.613
 1248    H    THR  55           HN       THR  55  45.569 -12.922  86.778
 1249    HA   THR  55           HA       THR  55  44.533 -12.160  89.453
 1250    HB   THR  55           HB       THR  55  46.956 -13.162  89.228
 1251    HG1  THR  55           HG1      THR  55  45.782 -11.432  90.825
 1252   HG21  THR  55          HG21      THR  55  47.518 -11.522  87.362
 1253   HG22  THR  55          HG22      THR  55  48.674 -11.593  88.675
 1254   HG23  THR  55          HG23      THR  55  47.539 -10.259  88.588
 1255    H    GLU  56           HN       GLU  56  43.584 -10.161  89.516
 1256    HA   GLU  56           HA       GLU  56  44.332  -8.192  87.418
 1257    HB2  GLU  56           HB2      GLU  56  42.007  -7.204  88.253
 1258    HB3  GLU  56           HB1      GLU  56  42.060  -8.518  87.077
 1259    HG2  GLU  56           HG2      GLU  56  41.773 -10.166  88.851
 1260    HG3  GLU  56           HG1      GLU  56  41.796  -8.893  90.071
 1261    H1   MET   1           HT1      MET   1  62.075 -16.370  98.939
 1262    H2   MET   1           HT2      MET   1  63.057 -17.706  99.303
 1263    H3   MET   1           HT3      MET   1  63.681 -16.130  99.424
 1264    HA   MET   1           HA       MET   1  62.420 -15.624 101.288
 1265    HB2  MET   1           HB2      MET   1  60.314 -16.440 101.512
 1266    HB3  MET   1           HB1      MET   1  60.576 -17.348 100.048
 1267    HG2  MET   1           HG2      MET   1  61.636 -19.160 101.603
 1268    HG3  MET   1           HG1      MET   1  60.859 -18.270 102.909
 1269    HE1  MET   1           HE1      MET   1  59.263 -18.921  99.128
 1270    HE2  MET   1           HE2      MET   1  59.167 -20.624  99.477
 1271    HE3  MET   1           HE3      MET   1  60.714 -19.796  99.612
 1272    H    GLN   2           HN       GLN   2  62.407 -17.096 103.504
 1273    HA   GLN   2           HA       GLN   2  64.926 -18.660 103.413
 1274    HB2  GLN   2           HB2      GLN   2  64.006 -16.601 105.426
 1275    HB3  GLN   2           HB1      GLN   2  65.356 -17.701 105.699
 1276    HG2  GLN   2           HG2      GLN   2  66.543 -16.803 103.775
 1277    HG3  GLN   2           HG1      GLN   2  65.160 -15.794 103.350
 1278   HE21  GLN   2          HE21      GLN   2  64.732 -15.215 106.438
 1279   HE22  GLN   2          HE22      GLN   2  65.919 -14.052 106.783
 1280    H    TYR   3           HN       TYR   3  65.056 -20.441 104.563
 1281    HA   TYR   3           HA       TYR   3  62.721 -21.313 106.166
 1282    HB2  TYR   3           HB2      TYR   3  64.740 -22.959 104.631
 1283    HB3  TYR   3           HB1      TYR   3  63.425 -23.599 105.624
 1284    HD1  TYR   3           HD2      TYR   3  61.046 -23.032 105.045
 1285    HD2  TYR   3           HD1      TYR   3  64.341 -22.177 102.424
 1286    HE1  TYR   3           HE2      TYR   3  59.484 -22.839 103.135
 1287    HE2  TYR   3           HE1      TYR   3  62.765 -21.971 100.520
 1288    HH   TYR   3           HH       TYR   3  59.259 -22.321 100.999
 1289    H    LYS   4           HN       LYS   4  63.164 -22.012 108.203
 1290    HA   LYS   4           HA       LYS   4  66.003 -21.803 109.076
 1291    HB2  LYS   4           HB2      LYS   4  64.310 -20.013 109.818
 1292    HB3  LYS   4           HB1      LYS   4  63.609 -21.268 110.830
 1293    HG2  LYS   4           HG2      LYS   4  65.252 -21.035 112.401
 1294    HG3  LYS   4           HG1      LYS   4  66.521 -21.190 111.197
 1295    HD2  LYS   4           HD2      LYS   4  66.127 -18.761 110.587
 1296    HD3  LYS   4           HD1      LYS   4  65.039 -18.658 111.970
 1297    HE2  LYS   4           HE2      LYS   4  67.889 -19.628 112.243
 1298    HE3  LYS   4           HE1      LYS   4  67.464 -17.922 112.362
 1299    HZ1  LYS   4           HZ1      LYS   4  65.987 -19.905 113.952
 1300    HZ2  LYS   4           HZ2      LYS   4  66.251 -18.256 114.262
 1301    HZ3  LYS   4           HZ3      LYS   4  67.509 -19.377 114.480
 1302    H    LEU   5           HN       LEU   5  66.887 -23.542 110.026
 1303    HA   LEU   5           HA       LEU   5  65.088 -25.738 110.880
 1304    HB2  LEU   5           HB2      LEU   5  66.554 -26.348 109.043
 1305    HB3  LEU   5           HB1      LEU   5  67.944 -25.738 109.894
 1306    HG   LEU   5           HG       LEU   5  67.503 -28.321 109.768
 1307   HD11  LEU   5          HD11      LEU   5  68.380 -26.941 112.299
 1308   HD12  LEU   5          HD12      LEU   5  69.380 -27.466 110.953
 1309   HD13  LEU   5          HD13      LEU   5  68.587 -28.657 111.979
 1310   HD21  LEU   5          HD21      LEU   5  65.155 -27.996 110.822
 1311   HD22  LEU   5          HD22      LEU   5  66.033 -27.893 112.337
 1312   HD23  LEU   5          HD23      LEU   5  66.153 -29.336 111.354
 1313    H    ILE   6           HN       ILE   6  65.052 -26.324 112.985
 1314    HA   ILE   6           HA       ILE   6  66.924 -24.979 114.841
 1315    HB   ILE   6           HB       ILE   6  64.479 -26.637 115.508
 1316   HG12  ILE   6          HG12      ILE   6  63.746 -24.731 114.191
 1317   HG13  ILE   6          HG11      ILE   6  63.368 -24.417 115.882
 1318   HG21  ILE   6          HG21      ILE   6  66.028 -26.461 117.339
 1319   HG22  ILE   6          HG22      ILE   6  64.685 -25.367 117.666
 1320   HG23  ILE   6          HG23      ILE   6  66.219 -24.728 117.077
 1321   HD11  ILE   6          HD11      ILE   6  65.530 -23.224 114.169
 1322   HD12  ILE   6          HD12      ILE   6  65.675 -23.216 115.926
 1323   HD13  ILE   6          HD13      ILE   6  64.318 -22.405 115.149
 1324    H    LEU   7           HN       LEU   7  68.460 -26.089 115.817
 1325    HA   LEU   7           HA       LEU   7  68.716 -28.944 115.213
 1326    HB2  LEU   7           HB2      LEU   7  70.577 -26.847 116.319
 1327    HB3  LEU   7           HB1      LEU   7  70.959 -28.556 116.473
 1328    HG   LEU   7           HG       LEU   7  70.369 -28.471 113.802
 1329   HD11  LEU   7          HD11      LEU   7  71.419 -26.436 112.866
 1330   HD12  LEU   7          HD12      LEU   7  71.552 -25.769 114.492
 1331   HD13  LEU   7          HD13      LEU   7  69.962 -26.055 113.785
 1332   HD21  LEU   7          HD21      LEU   7  72.428 -29.358 114.846
 1333   HD22  LEU   7          HD22      LEU   7  73.023 -27.710 115.040
 1334   HD23  LEU   7          HD23      LEU   7  72.790 -28.377 113.427
 1335    H    ASN   8           HN       ASN   8  67.819 -30.314 116.518
 1336    HA   ASN   8           HA       ASN   8  68.168 -30.007 119.423
 1337    HB2  ASN   8           HB2      ASN   8  65.828 -31.192 119.466
 1338    HB3  ASN   8           HB1      ASN   8  65.909 -29.443 119.263
 1339   HD21  ASN   8          HD21      ASN   8  64.252 -32.006 118.075
 1340   HD22  ASN   8          HD22      ASN   8  64.010 -31.494 116.475
 1341    H    GLY   9           HN       GLY   9  69.930 -31.439 119.130
 1342    HA2  GLY   9           HA2      GLY   9  69.174 -34.223 118.421
 1343    HA3  GLY   9           HA1      GLY   9  70.747 -33.528 118.054
 1344    H    LYS  10           HN       LYS  10  71.679 -35.288 119.240
 1345    HA   LYS  10           HA       LYS  10  71.113 -35.635 122.007
 1346    HB2  LYS  10           HB2      LYS  10  73.716 -36.472 120.727
 1347    HB3  LYS  10           HB1      LYS  10  72.817 -37.260 122.025
 1348    HG2  LYS  10           HG2      LYS  10  70.926 -37.483 120.185
 1349    HG3  LYS  10           HG1      LYS  10  72.266 -37.261 119.061
 1350    HD2  LYS  10           HD2      LYS  10  73.453 -39.158 120.152
 1351    HD3  LYS  10           HD1      LYS  10  72.053 -39.404 121.194
 1352    HE2  LYS  10           HE2      LYS  10  70.659 -39.651 119.090
 1353    HE3  LYS  10           HE1      LYS  10  72.170 -39.675 118.182
 1354    HZ1  LYS  10           HZ1      LYS  10  71.028 -41.689 119.937
 1355    HZ2  LYS  10           HZ2      LYS  10  72.709 -41.471 120.056
 1356    HZ3  LYS  10           HZ3      LYS  10  72.004 -41.874 118.564
 1357    H    THR  11           HN       THR  11  73.878 -33.988 120.329
 1358    HA   THR  11           HA       THR  11  74.140 -32.276 122.726
 1359    HB   THR  11           HB       THR  11  76.644 -32.319 122.272
 1360    HG1  THR  11           HG1      THR  11  76.222 -34.812 121.112
 1361   HG21  THR  11          HG21      THR  11  76.872 -34.529 123.441
 1362   HG22  THR  11          HG22      THR  11  75.147 -34.782 123.174
 1363   HG23  THR  11          HG23      THR  11  75.697 -33.441 124.176
 1364    H    LEU  12           HN       LEU  12  73.779 -32.491 119.356
 1365    HA   LEU  12           HA       LEU  12  75.040 -29.936 118.817
 1366    HB2  LEU  12           HB2      LEU  12  74.497 -32.237 117.300
 1367    HB3  LEU  12           HB1      LEU  12  73.374 -31.043 116.656
 1368    HG   LEU  12           HG       LEU  12  76.383 -30.803 116.882
 1369   HD11  LEU  12          HD11      LEU  12  76.300 -30.639 114.458
 1370   HD12  LEU  12          HD12      LEU  12  74.539 -30.670 114.477
 1371   HD13  LEU  12          HD13      LEU  12  75.455 -32.102 114.959
 1372   HD21  LEU  12          HD21      LEU  12  75.552 -28.564 115.507
 1373   HD22  LEU  12          HD22      LEU  12  75.961 -28.584 117.214
 1374   HD23  LEU  12          HD23      LEU  12  74.278 -28.717 116.714
 1375    H    LYS  13           HN       LYS  13  73.985 -28.148 119.463
 1376    HA   LYS  13           HA       LYS  13  71.145 -27.876 118.706
 1377    HB2  LYS  13           HB2      LYS  13  72.314 -27.326 121.445
 1378    HB3  LYS  13           HB1      LYS  13  70.806 -26.608 120.899
 1379    HG2  LYS  13           HG2      LYS  13  69.821 -28.479 121.777
 1380    HG3  LYS  13           HG1      LYS  13  70.352 -29.269 120.300
 1381    HD2  LYS  13           HD2      LYS  13  72.612 -29.592 121.725
 1382    HD3  LYS  13           HD1      LYS  13  71.486 -29.455 123.074
 1383    HE2  LYS  13           HE2      LYS  13  71.548 -31.773 122.594
 1384    HE3  LYS  13           HE1      LYS  13  70.068 -31.213 121.812
 1385    HZ1  LYS  13           HZ1      LYS  13  72.485 -31.045 120.216
 1386    HZ2  LYS  13           HZ2      LYS  13  70.922 -31.526 119.770
 1387    HZ3  LYS  13           HZ3      LYS  13  71.954 -32.616 120.563
 1388    H    GLY  14           HN       GLY  14  70.598 -25.982 117.901
 1389    HA2  GLY  14           HA2      GLY  14  71.634 -23.467 118.395
 1390    HA3  GLY  14           HA1      GLY  14  72.604 -24.137 117.081
 1391    H    GLU  15           HN       GLU  15  71.706 -22.523 115.591
 1392    HA   GLU  15           HA       GLU  15  68.981 -23.219 114.647
 1393    HB2  GLU  15           HB2      GLU  15  70.197 -20.457 114.472
 1394    HB3  GLU  15           HB1      GLU  15  68.554 -20.944 114.057
 1395    HG2  GLU  15           HG2      GLU  15  69.687 -21.237 116.830
 1396    HG3  GLU  15           HG1      GLU  15  68.845 -19.792 116.288
 1397    H    THR  16           HN       THR  16  68.688 -22.835 112.324
 1398    HA   THR  16           HA       THR  16  71.128 -22.424 110.757
 1399    HB   THR  16           HB       THR  16  69.871 -24.673 109.537
 1400    HG1  THR  16           HG1      THR  16  68.939 -25.138 111.536
 1401   HG21  THR  16          HG21      THR  16  72.235 -24.167 109.402
 1402   HG22  THR  16          HG22      THR  16  72.008 -25.782 110.073
 1403   HG23  THR  16          HG23      THR  16  72.417 -24.436 111.136
 1404    H    THR  17           HN       THR  17  70.722 -21.462 108.814
 1405    HA   THR  17           HA       THR  17  67.976 -21.510 107.798
 1406    HB   THR  17           HB       THR  17  69.276 -18.814 108.054
 1407    HG1  THR  17           HG1      THR  17  69.190 -19.807 110.141
 1408   HG21  THR  17          HG21      THR  17  67.035 -18.033 107.824
 1409   HG22  THR  17          HG22      THR  17  66.365 -19.624 108.171
 1410   HG23  THR  17          HG23      THR  17  67.190 -19.329 106.646
 1411    H    THR  18           HN       THR  18  67.722 -20.716 105.699
 1412    HA   THR  18           HA       THR  18  70.033 -20.116 104.078
 1413    HB   THR  18           HB       THR  18  69.952 -22.651 104.284
 1414    HG1  THR  18           HG1      THR  18  69.522 -21.500 101.729
 1415   HG21  THR  18          HG21      THR  18  68.185 -23.879 103.404
 1416   HG22  THR  18          HG22      THR  18  67.656 -22.562 102.359
 1417   HG23  THR  18          HG23      THR  18  67.310 -22.507 104.086
 1418    H    GLU  19           HN       GLU  19  69.414 -19.373 101.976
 1419    HA   GLU  19           HA       GLU  19  66.627 -18.389 101.841
 1420    HB2  GLU  19           HB2      GLU  19  68.582 -16.779 101.751
 1421    HB3  GLU  19           HB1      GLU  19  69.052 -17.541 100.236
 1422    HG2  GLU  19           HG2      GLU  19  67.756 -15.828  99.376
 1423    HG3  GLU  19           HG1      GLU  19  66.489 -17.028  99.604
 1424    H    ALA  20           HN       ALA  20  65.289 -19.540 100.530
 1425    HA   ALA  20           HA       ALA  20  66.267 -20.489  97.943
 1426    HB1  ALA  20           HB1      ALA  20  65.754 -22.775  98.299
 1427    HB2  ALA  20           HB2      ALA  20  64.926 -22.444  99.817
 1428    HB3  ALA  20           HB3      ALA  20  66.679 -22.299  99.720
 1429    H    VAL  21           HN       VAL  21  64.561 -21.207  96.559
 1430    HA   VAL  21           HA       VAL  21  62.212 -19.617  96.820
 1431    HB   VAL  21           HB       VAL  21  62.851 -19.942  94.599
 1432   HG11  VAL  21          HG11      VAL  21  63.469 -22.759  95.456
 1433   HG12  VAL  21          HG12      VAL  21  64.573 -21.532  94.844
 1434   HG13  VAL  21          HG13      VAL  21  63.413 -22.292  93.761
 1435   HG21  VAL  21          HG21      VAL  21  61.007 -22.328  94.855
 1436   HG22  VAL  21          HG22      VAL  21  61.116 -21.174  93.527
 1437   HG23  VAL  21          HG23      VAL  21  60.407 -20.685  95.066
 1438    H    ASP  22           HN       ASP  22  62.980 -23.070  97.080
 1439    HA   ASP  22           HA       ASP  22  60.262 -23.488  98.222
 1440    HB2  ASP  22           HB2      ASP  22  60.821 -24.718  96.110
 1441    HB3  ASP  22           HB1      ASP  22  62.053 -25.585  97.024
 1442    H    ALA  23           HN       ALA  23  59.989 -24.858  99.932
 1443    HA   ALA  23           HA       ALA  23  62.072 -24.754 101.916
 1444    HB1  ALA  23           HB1      ALA  23  60.388 -25.239 103.387
 1445    HB2  ALA  23           HB2      ALA  23  59.753 -26.548 102.389
 1446    HB3  ALA  23           HB3      ALA  23  59.339 -24.878 102.018
 1447    H    ALA  24           HN       ALA  24  60.616 -27.218  99.846
 1448    HA   ALA  24           HA       ALA  24  61.983 -29.458 100.916
 1449    HB1  ALA  24           HB1      ALA  24  61.226 -30.657  99.013
 1450    HB2  ALA  24           HB2      ALA  24  61.160 -29.201  98.019
 1451    HB3  ALA  24           HB3      ALA  24  59.975 -29.448  99.300
 1452    H    THR  25           HN       THR  25  62.958 -27.105  98.262
 1453    HA   THR  25           HA       THR  25  65.290 -28.557  97.513
 1454    HB   THR  25           HB       THR  25  64.037 -26.553  96.297
 1455    HG1  THR  25           HG1      THR  25  66.431 -27.705  96.145
 1456   HG21  THR  25          HG21      THR  25  64.932 -24.395  96.563
 1457   HG22  THR  25          HG22      THR  25  66.376 -24.987  97.382
 1458   HG23  THR  25          HG23      THR  25  64.835 -24.954  98.230
 1459    H    ALA  26           HN       ALA  26  64.653 -26.062  99.936
 1460    HA   ALA  26           HA       ALA  26  67.373 -25.629 100.676
 1461    HB1  ALA  26           HB1      ALA  26  66.005 -23.869 101.331
 1462    HB2  ALA  26           HB2      ALA  26  66.112 -24.764 102.844
 1463    HB3  ALA  26           HB3      ALA  26  64.691 -24.936 101.819
 1464    H    GLU  27           HN       GLU  27  64.854 -27.803 101.718
 1465    HA   GLU  27           HA       GLU  27  65.936 -28.796 104.094
 1466    HB2  GLU  27           HB2      GLU  27  64.071 -30.109 104.045
 1467    HB3  GLU  27           HB1      GLU  27  63.679 -29.308 102.527
 1468    HG2  GLU  27           HG2      GLU  27  65.026 -31.089 101.333
 1469    HG3  GLU  27           HG1      GLU  27  65.183 -31.920 102.874
 1470    H    LYS  28           HN       LYS  28  66.768 -29.480 100.779
 1471    HA   LYS  28           HA       LYS  28  68.004 -31.962 101.054
 1472    HB2  LYS  28           HB2      LYS  28  68.902 -29.653  99.303
 1473    HB3  LYS  28           HB1      LYS  28  69.359 -31.342  99.093
 1474    HG2  LYS  28           HG2      LYS  28  66.834 -31.831  98.955
 1475    HG3  LYS  28           HG1      LYS  28  66.632 -30.091  98.749
 1476    HD2  LYS  28           HD2      LYS  28  68.227 -31.965  96.965
 1477    HD3  LYS  28           HD1      LYS  28  66.764 -31.076  96.535
 1478    HE2  LYS  28           HE2      LYS  28  68.116 -28.935  97.120
 1479    HE3  LYS  28           HE1      LYS  28  69.538 -29.964  97.059
 1480    HZ1  LYS  28           HZ1      LYS  28  67.624 -29.528  94.739
 1481    HZ2  LYS  28           HZ2      LYS  28  69.004 -30.516  94.681
 1482    HZ3  LYS  28           HZ3      LYS  28  69.171 -28.836  94.866
 1483    H    VAL  29           HN       VAL  29  69.312 -28.716 101.595
 1484    HA   VAL  29           HA       VAL  29  71.926 -29.626 102.300
 1485    HB   VAL  29           HB       VAL  29  70.640 -27.026 103.143
 1486   HG11  VAL  29          HG11      VAL  29  72.950 -26.214 103.041
 1487   HG12  VAL  29          HG12      VAL  29  73.500 -27.790 102.474
 1488   HG13  VAL  29          HG13      VAL  29  72.856 -27.614 104.108
 1489   HG21  VAL  29          HG21      VAL  29  71.523 -26.128 100.991
 1490   HG22  VAL  29          HG22      VAL  29  70.261 -27.334 100.740
 1491   HG23  VAL  29          HG23      VAL  29  71.953 -27.769 100.508
 1492    H    PHE  30           HN       PHE  30  69.174 -28.450 104.233
 1493    HA   PHE  30           HA       PHE  30  70.300 -28.807 106.762
 1494    HB2  PHE  30           HB2      PHE  30  67.409 -28.916 105.937
 1495    HB3  PHE  30           HB1      PHE  30  67.974 -28.788 107.591
 1496    HD1  PHE  30           HD1      PHE  30  70.139 -26.782 107.511
 1497    HD2  PHE  30           HD2      PHE  30  66.429 -26.894 105.327
 1498    HE1  PHE  30           HE1      PHE  30  70.203 -24.331 107.259
 1499    HE2  PHE  30           HE2      PHE  30  66.503 -24.439 105.101
 1500    HZ   PHE  30           HZ       PHE  30  68.387 -23.156 106.059
 1501    H    LYS  31           HN       LYS  31  68.270 -31.093 104.886
 1502    HA   LYS  31           HA       LYS  31  68.227 -33.004 107.008
 1503    HB2  LYS  31           HB2      LYS  31  67.490 -33.060 104.099
 1504    HB3  LYS  31           HB1      LYS  31  67.698 -34.600 104.928
 1505    HG2  LYS  31           HG2      LYS  31  66.097 -33.708 106.716
 1506    HG3  LYS  31           HG1      LYS  31  65.745 -32.385 105.603
 1507    HD2  LYS  31           HD2      LYS  31  64.995 -33.963 103.910
 1508    HD3  LYS  31           HD1      LYS  31  65.472 -35.322 104.918
 1509    HE2  LYS  31           HE2      LYS  31  63.801 -34.802 106.556
 1510    HE3  LYS  31           HE1      LYS  31  63.442 -33.257 105.782
 1511    HZ1  LYS  31           HZ1      LYS  31  62.367 -35.788 105.214
 1512    HZ2  LYS  31           HZ2      LYS  31  63.214 -35.241 103.847
 1513    HZ3  LYS  31           HZ3      LYS  31  61.974 -34.293 104.517
 1514    H    GLN  32           HN       GLN  32  70.243 -32.636 104.117
 1515    HA   GLN  32           HA       GLN  32  71.798 -34.974 104.616
 1516    HB2  GLN  32           HB2      GLN  32  71.517 -33.732 102.415
 1517    HB3  GLN  32           HB1      GLN  32  72.645 -32.537 103.057
 1518    HG2  GLN  32           HG2      GLN  32  74.311 -34.340 103.430
 1519    HG3  GLN  32           HG1      GLN  32  73.192 -35.501 102.718
 1520   HE21  GLN  32          HE21      GLN  32  75.883 -33.606 101.938
 1521   HE22  GLN  32          HE22      GLN  32  75.617 -33.438 100.270
 1522    H    TYR  33           HN       TYR  33  71.991 -31.601 105.532
 1523    HA   TYR  33           HA       TYR  33  74.636 -31.576 106.496
 1524    HB2  TYR  33           HB2      TYR  33  73.578 -29.512 106.021
 1525    HB3  TYR  33           HB1      TYR  33  72.186 -29.926 107.018
 1526    HD1  TYR  33           HD1      TYR  33  75.896 -29.577 107.274
 1527    HD2  TYR  33           HD2      TYR  33  72.083 -29.082 109.195
 1528    HE1  TYR  33           HE1      TYR  33  77.014 -28.554 109.237
 1529    HE2  TYR  33           HE2      TYR  33  73.204 -28.059 111.152
 1530    HH   TYR  33           HH       TYR  33  75.351 -26.852 111.620
 1531    H    ALA  34           HN       ALA  34  71.513 -32.189 108.094
 1532    HA   ALA  34           HA       ALA  34  72.468 -32.329 110.728
 1533    HB1  ALA  34           HB1      ALA  34  69.998 -32.580 109.495
 1534    HB2  ALA  34           HB2      ALA  34  70.292 -32.803 111.219
 1535    HB3  ALA  34           HB3      ALA  34  70.266 -34.198 110.140
 1536    H    ASN  35           HN       ASN  35  72.386 -34.844 108.145
 1537    HA   ASN  35           HA       ASN  35  73.155 -36.953 109.890
 1538    HB2  ASN  35           HB2      ASN  35  72.089 -36.960 107.465
 1539    HB3  ASN  35           HB1      ASN  35  73.774 -36.978 106.952
 1540   HD21  ASN  35          HD21      ASN  35  74.807 -39.079 106.952
 1541   HD22  ASN  35          HD22      ASN  35  74.164 -40.438 107.739
 1542    H    ASP  36           HN       ASP  36  74.893 -34.829 107.617
 1543    HA   ASP  36           HA       ASP  36  77.460 -35.934 108.042
 1544    HB2  ASP  36           HB2      ASP  36  76.947 -33.100 107.182
 1545    HB3  ASP  36           HB1      ASP  36  78.247 -34.187 106.691
 1546    H    ASN  37           HN       ASN  37  75.649 -33.522 109.889
 1547    HA   ASN  37           HA       ASN  37  78.083 -32.599 111.202
 1548    HB2  ASN  37           HB2      ASN  37  76.729 -30.954 112.214
 1549    HB3  ASN  37           HB1      ASN  37  76.190 -31.099 110.548
 1550   HD21  ASN  37          HD21      ASN  37  74.245 -29.996 111.960
 1551   HD22  ASN  37          HD22      ASN  37  73.060 -31.107 112.451
 1552    H    GLY  38           HN       GLY  38  75.514 -34.933 111.895
 1553    HA2  GLY  38           HA2      GLY  38  76.388 -36.617 113.566
 1554    HA3  GLY  38           HA1      GLY  38  76.627 -35.253 114.638
 1555    H    VAL  39           HN       VAL  39  73.850 -34.268 113.347
 1556    HA   VAL  39           HA       VAL  39  72.203 -35.866 115.246
 1557    HB   VAL  39           HB       VAL  39  72.286 -33.691 116.124
 1558   HG11  VAL  39          HG11      VAL  39  72.004 -31.662 114.779
 1559   HG12  VAL  39          HG12      VAL  39  71.808 -32.639 113.326
 1560   HG13  VAL  39          HG13      VAL  39  73.345 -32.624 114.178
 1561   HG21  VAL  39          HG21      VAL  39  70.044 -32.859 115.950
 1562   HG22  VAL  39          HG22      VAL  39  69.941 -34.606 115.744
 1563   HG23  VAL  39          HG23      VAL  39  69.847 -33.548 114.342
 1564    H    ASP  40           HN       ASP  40  71.062 -37.297 114.180
 1565    HA   ASP  40           HA       ASP  40  69.424 -36.416 111.867
 1566    HB2  ASP  40           HB2      ASP  40  71.422 -38.002 111.346
 1567    HB3  ASP  40           HB1      ASP  40  70.462 -39.238 112.153
 1568    H    GLY  41           HN       GLY  41  67.314 -36.353 112.707
 1569    HA2  GLY  41           HA2      GLY  41  66.405 -38.768 114.160
 1570    HA3  GLY  41           HA1      GLY  41  66.189 -37.198 114.916
 1571    H    GLU  42           HN       GLU  42  63.843 -37.534 114.925
 1572    HA   GLU  42           HA       GLU  42  62.478 -37.954 112.472
 1573    HB2  GLU  42           HB2      GLU  42  61.116 -36.802 114.885
 1574    HB3  GLU  42           HB1      GLU  42  60.531 -37.998 113.734
 1575    HG2  GLU  42           HG2      GLU  42  62.615 -38.421 115.892
 1576    HG3  GLU  42           HG1      GLU  42  61.002 -39.125 115.823
 1577    H    TRP  43           HN       TRP  43  61.618 -36.498 111.142
 1578    HA   TRP  43           HA       TRP  43  62.344 -33.680 111.564
 1579    HB2  TRP  43           HB2      TRP  43  61.739 -35.316 109.105
 1580    HB3  TRP  43           HB1      TRP  43  61.944 -33.563 109.076
 1581    HD1  TRP  43           HD1      TRP  43  63.923 -36.804 109.708
 1582    HE1  TRP  43           HE1      TRP  43  66.437 -36.235 109.654
 1583    HE3  TRP  43           HE3      TRP  43  63.655 -31.738 109.357
 1584    HZ2  TRP  43           HZ2      TRP  43  68.099 -33.936 109.445
 1585    HZ3  TRP  43           HZ3      TRP  43  65.710 -30.384 109.220
 1586    HH2  TRP  43           HH2      TRP  43  67.937 -31.468 109.265
 1587    H    THR  44           HN       THR  44  61.025 -32.107 110.700
 1588    HA   THR  44           HA       THR  44  58.205 -32.536 110.269
 1589    HB   THR  44           HB       THR  44  58.198 -32.492 112.705
 1590    HG1  THR  44           HG1      THR  44  56.779 -31.044 111.342
 1591   HG21  THR  44          HG21      THR  44  60.245 -31.562 113.359
 1592   HG22  THR  44          HG22      THR  44  59.097 -30.290 113.763
 1593   HG23  THR  44          HG23      THR  44  60.072 -30.160 112.304
 1594    H    TYR  45           HN       TYR  45  57.210 -30.366 109.604
 1595    HA   TYR  45           HA       TYR  45  59.102 -28.214 109.154
 1596    HB2  TYR  45           HB2      TYR  45  59.713 -29.443 107.235
 1597    HB3  TYR  45           HB1      TYR  45  58.049 -29.900 106.892
 1598    HD1  TYR  45           HD1      TYR  45  59.821 -26.644 107.588
 1599    HD2  TYR  45           HD2      TYR  45  57.204 -28.849 104.989
 1600    HE1  TYR  45           HE1      TYR  45  59.561 -24.651 106.148
 1601    HE2  TYR  45           HE2      TYR  45  56.944 -26.850 103.553
 1602    HH   TYR  45           HH       TYR  45  58.242 -23.734 104.500
 1603    H    ASP  46           HN       ASP  46  58.066 -26.414 109.510
 1604    HA   ASP  46           HA       ASP  46  55.153 -26.329 109.051
 1605    HB2  ASP  46           HB2      ASP  46  55.802 -25.657 111.316
 1606    HB3  ASP  46           HB1      ASP  46  56.951 -24.479 110.660
 1607    H    ASP  47           HN       ASP  47  54.656 -25.563 107.005
 1608    HA   ASP  47           HA       ASP  47  56.535 -23.868 105.580
 1609    HB2  ASP  47           HB2      ASP  47  55.088 -25.766 104.581
 1610    HB3  ASP  47           HB1      ASP  47  53.770 -24.598 104.632
 1611    H    ALA  48           HN       ALA  48  54.096 -23.397 107.783
 1612    HA   ALA  48           HA       ALA  48  53.017 -20.943 106.706
 1613    HB1  ALA  48           HB1      ALA  48  51.672 -20.891 108.628
 1614    HB2  ALA  48           HB2      ALA  48  52.839 -21.806 109.583
 1615    HB3  ALA  48           HB3      ALA  48  51.892 -22.616 108.336
 1616    H    THR  49           HN       THR  49  55.761 -21.881 108.703
 1617    HA   THR  49           HA       THR  49  56.462 -19.023 109.079
 1618    HB   THR  49           HB       THR  49  57.706 -19.938 111.205
 1619    HG1  THR  49           HG1      THR  49  57.013 -22.142 110.519
 1620   HG21  THR  49          HG21      THR  49  54.705 -19.604 111.062
 1621   HG22  THR  49          HG22      THR  49  55.903 -18.357 111.407
 1622   HG23  THR  49          HG23      THR  49  55.617 -19.652 112.570
 1623    H    LYS  50           HN       LYS  50  57.170 -21.511 107.221
 1624    HA   LYS  50           HA       LYS  50  59.079 -22.391 106.264
 1625    HB2  LYS  50           HB2      LYS  50  60.413 -19.763 106.896
 1626    HB3  LYS  50           HB1      LYS  50  60.563 -20.762 105.453
 1627    HG2  LYS  50           HG2      LYS  50  58.026 -19.283 106.239
 1628    HG3  LYS  50           HG1      LYS  50  59.214 -18.680 105.089
 1629    HD2  LYS  50           HD2      LYS  50  58.897 -20.722 103.722
 1630    HD3  LYS  50           HD1      LYS  50  57.636 -21.254 104.829
 1631    HE2  LYS  50           HE2      LYS  50  56.237 -19.401 104.263
 1632    HE3  LYS  50           HE1      LYS  50  57.550 -18.586 103.414
 1633    HZ1  LYS  50           HZ1      LYS  50  56.697 -19.552 101.610
 1634    HZ2  LYS  50           HZ2      LYS  50  55.795 -20.679 102.506
 1635    HZ3  LYS  50           HZ3      LYS  50  57.435 -20.973 102.169
 1636    H    THR  51           HN       THR  51  58.895 -23.322 108.846
 1637    HA   THR  51           HA       THR  51  61.706 -23.155 109.801
 1638    HB   THR  51           HB       THR  51  59.213 -23.161 111.524
 1639    HG1  THR  51           HG1      THR  51  61.355 -21.318 111.327
 1640   HG21  THR  51          HG21      THR  51  61.023 -22.907 113.368
 1641   HG22  THR  51          HG22      THR  51  62.137 -23.572 112.172
 1642   HG23  THR  51          HG23      THR  51  60.749 -24.520 112.710
 1643    H    PHE  52           HN       PHE  52  62.762 -25.093 109.975
 1644    HA   PHE  52           HA       PHE  52  61.199 -27.605 110.013
 1645    HB2  PHE  52           HB2      PHE  52  64.008 -26.902 109.158
 1646    HB3  PHE  52           HB1      PHE  52  63.445 -28.566 109.318
 1647    HD1  PHE  52           HD1      PHE  52  62.660 -25.312 107.633
 1648    HD2  PHE  52           HD2      PHE  52  62.307 -29.594 107.557
 1649    HE1  PHE  52           HE1      PHE  52  61.749 -25.211 105.327
 1650    HE2  PHE  52           HE2      PHE  52  61.388 -29.482 105.263
 1651    HZ   PHE  52           HZ       PHE  52  61.114 -27.295 104.147
 1652    H    THR  53           HN       THR  53  62.080 -29.349 111.437
 1653    HA   THR  53           HA       THR  53  64.095 -28.585 113.386
 1654    HB   THR  53           HB       THR  53  62.849 -28.856 115.386
 1655    HG1  THR  53           HG1      THR  53  61.481 -30.454 115.003
 1656   HG21  THR  53          HG21      THR  53  61.066 -27.224 113.556
 1657   HG22  THR  53          HG22      THR  53  62.534 -26.634 114.314
 1658   HG23  THR  53          HG23      THR  53  61.167 -27.094 115.311
 1659    H    VAL  54           HN       VAL  54  65.375 -30.418 113.837
 1660    HA   VAL  54           HA       VAL  54  64.165 -33.068 113.225
 1661    HB   VAL  54           HB       VAL  54  66.020 -32.401 111.721
 1662   HG11  VAL  54          HG11      VAL  54  67.784 -32.554 114.170
 1663   HG12  VAL  54          HG12      VAL  54  67.173 -31.032 113.531
 1664   HG13  VAL  54          HG13      VAL  54  68.234 -32.039 112.547
 1665   HG21  VAL  54          HG21      VAL  54  65.588 -34.812 112.362
 1666   HG22  VAL  54          HG22      VAL  54  66.836 -34.650 113.598
 1667   HG23  VAL  54          HG23      VAL  54  67.257 -34.488 111.894
 1668    H    THR  55           HN       THR  55  63.911 -34.431 114.917
 1669    HA   THR  55           HA       THR  55  65.524 -33.997 117.371
 1670    HB   THR  55           HB       THR  55  62.999 -33.301 117.368
 1671    HG1  THR  55           HG1      THR  55  64.675 -34.240 119.168
 1672   HG21  THR  55          HG21      THR  55  62.316 -35.572 116.406
 1673   HG22  THR  55          HG22      THR  55  61.411 -35.022 117.813
 1674   HG23  THR  55          HG23      THR  55  62.672 -36.242 117.996
 1675    H    GLU  56           HN       GLU  56  66.786 -35.713 117.906
 1676    HA   GLU  56           HA       GLU  56  65.984 -38.407 116.955
 1677    HB2  GLU  56           HB2      GLU  56  68.539 -38.804 117.594
 1678    HB3  GLU  56           HB1      GLU  56  68.094 -38.085 116.047
 1679    HG2  GLU  56           HG2      GLU  56  68.414 -35.843 116.959
 1680    HG3  GLU  56           HG1      GLU  56  68.801 -36.520 118.541
 1681    H1   MET   1           HT1      MET   1  51.772  16.884  96.125
 1682    H2   MET   1           HT2      MET   1  52.650  15.464  96.439
 1683    H3   MET   1           HT3      MET   1  53.373  16.984  96.677
 1684    HA   MET   1           HA       MET   1  52.024  17.478  98.509
 1685    HB2  MET   1           HB2      MET   1  49.897  16.667  98.669
 1686    HB3  MET   1           HB1      MET   1  50.181  15.856  97.143
 1687    HG2  MET   1           HG2      MET   1  51.218  13.953  98.660
 1688    HG3  MET   1           HG1      MET   1  50.287  14.736  99.933
 1689    HE1  MET   1           HE1      MET   1  49.549  14.020  95.976
 1690    HE2  MET   1           HE2      MET   1  48.933  12.411  96.297
 1691    HE3  MET   1           HE3      MET   1  50.558  12.837  96.817
 1692    H    GLN   2           HN       GLN   2  51.903  15.882 100.677
 1693    HA   GLN   2           HA       GLN   2  54.408  14.287 100.627
 1694    HB2  GLN   2           HB2      GLN   2  53.434  16.270 102.694
 1695    HB3  GLN   2           HB1      GLN   2  54.754  15.137 102.973
 1696    HG2  GLN   2           HG2      GLN   2  56.046  16.103 101.164
 1697    HG3  GLN   2           HG1      GLN   2  54.696  17.139 100.700
 1698   HE21  GLN   2          HE21      GLN   2  54.088  17.627 103.765
 1699   HE22  GLN   2          HE22      GLN   2  55.268  18.759 104.224
 1700    H    TYR   3           HN       TYR   3  54.520  12.514 101.913
 1701    HA   TYR   3           HA       TYR   3  52.030  11.615 103.248
 1702    HB2  TYR   3           HB2      TYR   3  54.167   9.984 101.865
 1703    HB3  TYR   3           HB1      TYR   3  52.777   9.331 102.740
 1704    HD1  TYR   3           HD2      TYR   3  50.447   9.939 101.985
 1705    HD2  TYR   3           HD1      TYR   3  53.945  10.768  99.635
 1706    HE1  TYR   3           HE2      TYR   3  49.040  10.162  99.960
 1707    HE2  TYR   3           HE1      TYR   3  52.527  10.998  97.613
 1708    HH   TYR   3           HH       TYR   3  48.986  10.705  97.815
 1709    H    LYS   4           HN       LYS   4  52.277  10.834 105.299
 1710    HA   LYS   4           HA       LYS   4  55.021  11.014 106.439
 1711    HB2  LYS   4           HB2      LYS   4  53.294  12.821 107.052
 1712    HB3  LYS   4           HB1      LYS   4  52.487  11.564 107.977
 1713    HG2  LYS   4           HG2      LYS   4  53.982  11.756 109.693
 1714    HG3  LYS   4           HG1      LYS   4  55.352  11.584 108.608
 1715    HD2  LYS   4           HD2      LYS   4  55.060  14.029 107.989
 1716    HD3  LYS   4           HD1      LYS   4  53.861  14.141 109.276
 1717    HE2  LYS   4           HE2      LYS   4  56.657  13.108 109.779
 1718    HE3  LYS   4           HE1      LYS   4  56.256  14.821 109.882
 1719    HZ1  LYS   4           HZ1      LYS   4  54.602  12.861 111.312
 1720    HZ2  LYS   4           HZ2      LYS   4  54.892  14.496 111.672
 1721    HZ3  LYS   4           HZ3      LYS   4  56.091  13.332 111.974
 1722    H    LEU   5           HN       LEU   5  55.785   9.247 107.440
 1723    HA   LEU   5           HA       LEU   5  53.880   7.071 108.096
 1724    HB2  LEU   5           HB2      LEU   5  55.490   6.459 106.383
 1725    HB3  LEU   5           HB1      LEU   5  56.812   7.029 107.362
 1726    HG   LEU   5           HG       LEU   5  56.332   4.457 107.155
 1727   HD11  LEU   5          HD11      LEU   5  57.024   5.793 109.767
 1728   HD12  LEU   5          HD12      LEU   5  58.120   5.244 108.509
 1729   HD13  LEU   5          HD13      LEU   5  57.209   4.074 109.456
 1730   HD21  LEU   5          HD21      LEU   5  53.910   4.813 108.012
 1731   HD22  LEU   5          HD22      LEU   5  54.657   4.879 109.599
 1732   HD23  LEU   5          HD23      LEU   5  54.834   3.447 108.608
 1733    H    ILE   6           HN       ILE   6  53.653   6.461 110.184
 1734    HA   ILE   6           HA       ILE   6  55.381   7.752 112.210
 1735    HB   ILE   6           HB       ILE   6  52.861   6.131 112.642
 1736   HG12  ILE   6          HG12      ILE   6  52.277   8.064 111.293
 1737   HG13  ILE   6          HG11      ILE   6  51.760   8.367 112.949
 1738   HG21  ILE   6          HG21      ILE   6  54.249   6.258 114.603
 1739   HG22  ILE   6          HG22      ILE   6  52.901   7.373 114.827
 1740   HG23  ILE   6          HG23      ILE   6  54.492   7.990 114.381
 1741   HD11  ILE   6          HD11      ILE   6  54.082   9.539 111.439
 1742   HD12  ILE   6          HD12      ILE   6  54.077   9.524 113.202
 1743   HD13  ILE   6          HD13      ILE   6  52.805  10.370 112.324
 1744    H    LEU   7           HN       LEU   7  56.811   6.602 113.303
 1745    HA   LEU   7           HA       LEU   7  57.059   3.749 112.683
 1746    HB2  LEU   7           HB2      LEU   7  58.866   5.792 113.965
 1747    HB3  LEU   7           HB1      LEU   7  59.199   4.074 114.128
 1748    HG   LEU   7           HG       LEU   7  58.829   4.203 111.417
 1749   HD11  LEU   7          HD11      LEU   7  60.006   6.223 110.602
 1750   HD12  LEU   7          HD12      LEU   7  60.016   6.866 112.243
 1751   HD13  LEU   7          HD13      LEU   7  58.487   6.627 111.399
 1752   HD21  LEU   7          HD21      LEU   7  60.774   3.251 112.615
 1753   HD22  LEU   7          HD22      LEU   7  61.393   4.882 112.876
 1754   HD23  LEU   7          HD23      LEU   7  61.273   4.237 111.242
 1755    H    ASN   8           HN       ASN   8  56.033   2.382 113.885
 1756    HA   ASN   8           HA       ASN   8  56.135   2.642 116.815
 1757    HB2  ASN   8           HB2      ASN   8  53.780   1.502 116.636
 1758    HB3  ASN   8           HB1      ASN   8  53.909   3.251 116.466
 1759   HD21  ASN   8          HD21      ASN   8  52.325   0.729 115.097
 1760   HD22  ASN   8          HD22      ASN   8  52.229   1.270 113.492
 1761    H    GLY   9           HN       GLY   9  57.889   1.177 116.657
 1762    HA2  GLY   9           HA2      GLY   9  57.146  -1.581 115.840
 1763    HA3  GLY   9           HA1      GLY   9  58.757  -0.912 115.619
 1764    H    LYS  10           HN       LYS  10  59.554  -2.704 116.855
 1765    HA   LYS  10           HA       LYS  10  58.743  -3.076 119.559
 1766    HB2  LYS  10           HB2      LYS  10  61.432  -3.949 118.496
 1767    HB3  LYS  10           HB1      LYS  10  60.410  -4.734 119.701
 1768    HG2  LYS  10           HG2      LYS  10  58.681  -4.896 117.702
 1769    HG3  LYS  10           HG1      LYS  10  60.118  -4.694 116.703
 1770    HD2  LYS  10           HD2      LYS  10  61.166  -6.623 117.886
 1771    HD3  LYS  10           HD1      LYS  10  59.661  -6.856 118.776
 1772    HE2  LYS  10           HE2      LYS  10  58.489  -7.041 116.531
 1773    HE3  LYS  10           HE1      LYS  10  60.088  -7.097 115.790
 1774    HZ1  LYS  10           HZ1      LYS  10  58.711  -9.096 117.383
 1775    HZ2  LYS  10           HZ2      LYS  10  60.373  -8.922 117.694
 1776    HZ3  LYS  10           HZ3      LYS  10  59.833  -9.293 116.127
 1777    H    THR  11           HN       THR  11  61.673  -1.465 118.146
 1778    HA   THR  11           HA       THR  11  61.758   0.216 120.579
 1779    HB   THR  11           HB       THR  11  64.289   0.129 120.346
 1780    HG1  THR  11           HG1      THR  11  63.925  -2.341 119.115
 1781   HG21  THR  11          HG21      THR  11  64.377  -2.094 121.505
 1782   HG22  THR  11          HG22      THR  11  62.682  -2.325 121.073
 1783   HG23  THR  11          HG23      THR  11  63.148  -1.001 122.140
 1784    H    LEU  12           HN       LEU  12  61.683   0.045 117.190
 1785    HA   LEU  12           HA       LEU  12  63.037   2.578 116.792
 1786    HB2  LEU  12           HB2      LEU  12  62.580   0.308 115.207
 1787    HB3  LEU  12           HB1      LEU  12  61.538   1.527 114.485
 1788    HG   LEU  12           HG       LEU  12  64.522   1.706 114.964
 1789   HD11  LEU  12          HD11      LEU  12  64.644   1.898 112.545
 1790   HD12  LEU  12          HD12      LEU  12  62.887   1.903 112.416
 1791   HD13  LEU  12          HD13      LEU  12  63.732   0.449 112.956
 1792   HD21  LEU  12          HD21      LEU  12  63.856   3.978 113.555
 1793   HD22  LEU  12          HD22      LEU  12  64.113   3.930 115.290
 1794   HD23  LEU  12          HD23      LEU  12  62.478   3.837 114.643
 1795    H    LYS  13           HN       LYS  13  61.963   4.380 117.378
 1796    HA   LYS  13           HA       LYS  13  59.206   4.719 116.377
 1797    HB2  LYS  13           HB2      LYS  13  60.139   5.212 119.216
 1798    HB3  LYS  13           HB1      LYS  13  58.698   5.964 118.548
 1799    HG2  LYS  13           HG2      LYS  13  57.606   4.102 119.309
 1800    HG3  LYS  13           HG1      LYS  13  58.252   3.320 117.874
 1801    HD2  LYS  13           HD2      LYS  13  60.370   2.937 119.489
 1802    HD3  LYS  13           HD1      LYS  13  59.131   3.078 120.735
 1803    HE2  LYS  13           HE2      LYS  13  59.193   0.766 120.230
 1804    HE3  LYS  13           HE1      LYS  13  57.800   1.365 119.326
 1805    HZ1  LYS  13           HZ1      LYS  13  60.351   1.508 117.954
 1806    HZ2  LYS  13           HZ2      LYS  13  58.825   1.057 117.365
 1807    HZ3  LYS  13           HZ3      LYS  13  59.767  -0.059 118.232
 1808    H    GLY  14           HN       GLY  14  58.764   6.632 115.556
 1809    HA2  GLY  14           HA2      GLY  14  59.796   9.121 116.173
 1810    HA3  GLY  14           HA1      GLY  14  60.864   8.452 114.937
 1811    H    GLU  15           HN       GLU  15  60.124  10.098 113.399
 1812    HA   GLU  15           HA       GLU  15  57.480   9.461 112.213
 1813    HB2  GLU  15           HB2      GLU  15  58.754  12.203 112.176
 1814    HB3  GLU  15           HB1      GLU  15  57.142  11.749 111.621
 1815    HG2  GLU  15           HG2      GLU  15  58.032  11.403 114.475
 1816    HG3  GLU  15           HG1      GLU  15  57.275  12.874 113.885
 1817    H    THR  16           HN       THR  16  57.396   9.886 109.878
 1818    HA   THR  16           HA       THR  16  59.970  10.263 108.534
 1819    HB   THR  16           HB       THR  16  58.784   8.064 107.167
 1820    HG1  THR  16           HG1      THR  16  57.656   7.592 109.064
 1821   HG21  THR  16          HG21      THR  16  61.162   8.517 107.270
 1822   HG22  THR  16          HG22      THR  16  60.836   6.894 107.879
 1823   HG23  THR  16          HG23      THR  16  61.172   8.208 109.006
 1824    H    THR  17           HN       THR  17  59.754  11.248 106.570
 1825    HA   THR  17           HA       THR  17  57.103  11.278 105.331
 1826    HB   THR  17           HB       THR  17  58.435  13.941 105.724
 1827    HG1  THR  17           HG1      THR  17  58.147  12.902 107.782
 1828   HG21  THR  17          HG21      THR  17  56.272  14.784 105.272
 1829   HG22  THR  17          HG22      THR  17  55.499  13.246 105.640
 1830   HG23  THR  17          HG23      THR  17  56.430  13.432 104.159
 1831    H    THR  18           HN       THR  18  57.042  12.088 103.221
 1832    HA   THR  18           HA       THR  18  59.501  12.651 101.815
 1833    HB   THR  18           HB       THR  18  59.337  10.114 101.983
 1834    HG1  THR  18           HG1      THR  18  59.186  11.340  99.431
 1835   HG21  THR  18          HG21      THR  18  57.627   8.945 100.924
 1836   HG22  THR  18          HG22      THR  18  57.221  10.295  99.865
 1837   HG23  THR  18          HG23      THR  18  56.731  10.326 101.557
 1838    H    GLU  19           HN       GLU  19  59.091  13.439  99.692
 1839    HA   GLU  19           HA       GLU  19  56.343  14.473  99.310
 1840    HB2  GLU  19           HB2      GLU  19  58.307  16.062  99.456
 1841    HB3  GLU  19           HB1      GLU  19  58.936  15.321  97.988
 1842    HG2  GLU  19           HG2      GLU  19  57.760  17.052  97.007
 1843    HG3  GLU  19           HG1      GLU  19  56.449  15.879  97.098
 1844    H    ALA  20           HN       ALA  20  55.169  13.208  97.983
 1845    HA   ALA  20           HA       ALA  20  56.329  12.367  95.407
 1846    HB1  ALA  20           HB1      ALA  20  55.659  10.107  95.642
 1847    HB2  ALA  20           HB2      ALA  20  54.732  10.444  97.100
 1848    HB3  ALA  20           HB3      ALA  20  56.494  10.498  97.141
 1849    H    VAL  21           HN       VAL  21  54.726  11.746  93.835
 1850    HA   VAL  21           HA       VAL  21  52.442  13.454  93.854
 1851    HB   VAL  21           HB       VAL  21  53.281  13.064  91.702
 1852   HG11  VAL  21          HG11      VAL  21  53.543  10.179  92.574
 1853   HG12  VAL  21          HG12      VAL  21  54.827  11.297  92.128
 1854   HG13  VAL  21          HG13      VAL  21  53.725  10.683  90.899
 1855   HG21  VAL  21          HG21      VAL  21  51.223  10.846  91.789
 1856   HG22  VAL  21          HG22      VAL  21  51.539  12.001  90.493
 1857   HG23  VAL  21          HG23      VAL  21  50.757  12.537  91.980
 1858    H    ASP  22           HN       ASP  22  53.006   9.982  94.224
 1859    HA   ASP  22           HA       ASP  22  50.186   9.677  95.126
 1860    HB2  ASP  22           HB2      ASP  22  50.767   8.476  93.022
 1861    HB3  ASP  22           HB1      ASP  22  51.957   7.549  93.933
 1862    H    ALA  23           HN       ALA  23  49.747   8.168  96.748
 1863    HA   ALA  23           HA       ALA  23  51.669   8.193  98.884
 1864    HB1  ALA  23           HB1      ALA  23  49.866   7.728 100.206
 1865    HB2  ALA  23           HB2      ALA  23  49.299   6.430  99.154
 1866    HB3  ALA  23           HB3      ALA  23  48.931   8.108  98.763
 1867    H    ALA  24           HN       ALA  24  50.247   5.726  96.770
 1868    HA   ALA  24           HA       ALA  24  51.530   3.477  97.866
 1869    HB1  ALA  24           HB1      ALA  24  50.889   2.311  95.906
 1870    HB2  ALA  24           HB2      ALA  24  50.951   3.770  94.916
 1871    HB3  ALA  24           HB3      ALA  24  49.654   3.558  96.090
 1872    H    THR  25           HN       THR  25  52.753   5.862  95.358
 1873    HA   THR  25           HA       THR  25  55.101   4.365  94.751
 1874    HB   THR  25           HB       THR  25  53.962   6.425  93.496
 1875    HG1  THR  25           HG1      THR  25  56.407   5.271  93.517
 1876   HG21  THR  25          HG21      THR  25  54.928   8.544  93.839
 1877   HG22  THR  25          HG22      THR  25  56.289   7.885  94.745
 1878   HG23  THR  25          HG23      THR  25  54.696   7.971  95.488
 1879    H    ALA  26           HN       ALA  26  54.327   6.826  97.169
 1880    HA   ALA  26           HA       ALA  26  56.997   7.213  98.093
 1881    HB1  ALA  26           HB1      ALA  26  55.628   8.987  98.698
 1882    HB2  ALA  26           HB2      ALA  26  55.599   8.061 100.194
 1883    HB3  ALA  26           HB3      ALA  26  54.257   7.942  99.061
 1884    H    GLU  27           HN       GLU  27  54.386   5.071  98.958
 1885    HA   GLU  27           HA       GLU  27  55.333   4.047 101.376
 1886    HB2  GLU  27           HB2      GLU  27  53.464   2.758 101.249
 1887    HB3  GLU  27           HB1      GLU  27  53.134   3.600  99.740
 1888    HG2  GLU  27           HG2      GLU  27  54.432   1.828  98.528
 1889    HG3  GLU  27           HG1      GLU  27  54.599   0.963 100.041
 1890    H    LYS  28           HN       LYS  28  56.315   3.368  98.108
 1891    HA   LYS  28           HA       LYS  28  57.524   0.878  98.384
 1892    HB2  LYS  28           HB2      LYS  28  58.582   3.270  96.841
 1893    HB3  LYS  28           HB1      LYS  28  59.057   1.595  96.584
 1894    HG2  LYS  28           HG2      LYS  28  56.556   1.143  96.182
 1895    HG3  LYS  28           HG1      LYS  28  56.383   2.887  96.043
 1896    HD2  LYS  28           HD2      LYS  28  58.105   1.065  94.331
 1897    HD3  LYS  28           HD1      LYS  28  56.710   2.011  93.811
 1898    HE2  LYS  28           HE2      LYS  28  58.035   4.092  94.575
 1899    HE3  LYS  28           HE1      LYS  28  59.438   3.037  94.667
 1900    HZ1  LYS  28           HZ1      LYS  28  57.828   3.550  92.141
 1901    HZ2  LYS  28           HZ2      LYS  28  59.184   2.533  92.231
 1902    HZ3  LYS  28           HZ3      LYS  28  59.363   4.204  92.466
 1903    H    VAL  29           HN       VAL  29  58.817   4.103  99.119
 1904    HA   VAL  29           HA       VAL  29  61.352   3.141 100.017
 1905    HB   VAL  29           HB       VAL  29  60.030   5.750 100.770
 1906   HG11  VAL  29          HG11      VAL  29  62.342   6.532 100.933
 1907   HG12  VAL  29          HG12      VAL  29  62.935   4.962 100.393
 1908   HG13  VAL  29          HG13      VAL  29  62.127   5.112 101.954
 1909   HG21  VAL  29          HG21      VAL  29  61.157   6.651  98.733
 1910   HG22  VAL  29          HG22      VAL  29  59.898   5.478  98.342
 1911   HG23  VAL  29          HG23      VAL  29  61.596   5.004  98.279
 1912    H    PHE  30           HN       PHE  30  58.486   4.350 101.757
 1913    HA   PHE  30           HA       PHE  30  59.420   3.949 104.355
 1914    HB2  PHE  30           HB2      PHE  30  56.591   3.901 103.338
 1915    HB3  PHE  30           HB1      PHE  30  57.045   4.004 105.026
 1916    HD1  PHE  30           HD1      PHE  30  59.222   5.971 105.138
 1917    HD2  PHE  30           HD2      PHE  30  55.699   5.940 102.661
 1918    HE1  PHE  30           HE1      PHE  30  59.337   8.426 104.930
 1919    HE2  PHE  30           HE2      PHE  30  55.822   8.397 102.476
 1920    HZ   PHE  30           HZ       PHE  30  57.637   9.641 103.603
 1921    H    LYS  31           HN       LYS  31  57.486   1.713 102.322
 1922    HA   LYS  31           HA       LYS  31  57.245  -0.168 104.467
 1923    HB2  LYS  31           HB2      LYS  31  56.466  -0.025 101.630
 1924    HB3  LYS  31           HB1      LYS  31  56.734  -1.646 102.222
 1925    HG2  LYS  31           HG2      LYS  31  55.053  -1.446 103.860
 1926    HG3  LYS  31           HG1      LYS  31  55.041   0.300 103.767
 1927    HD2  LYS  31           HD2      LYS  31  53.617   0.349 101.989
 1928    HD3  LYS  31           HD1      LYS  31  54.420  -0.992 101.186
 1929    HE2  LYS  31           HE2      LYS  31  53.030  -2.090 103.441
 1930    HE3  LYS  31           HE1      LYS  31  51.923  -1.023 102.582
 1931    HZ1  LYS  31           HZ1      LYS  31  52.444  -3.507 101.821
 1932    HZ2  LYS  31           HZ2      LYS  31  53.617  -2.676 100.914
 1933    HZ3  LYS  31           HZ3      LYS  31  51.974  -2.278 100.752
 1934    H    GLN  32           HN       GLN  32  59.467   0.216 101.757
 1935    HA   GLN  32           HA       GLN  32  60.866  -2.240 102.263
 1936    HB2  GLN  32           HB2      GLN  32  60.805  -0.965 100.074
 1937    HB3  GLN  32           HB1      GLN  32  61.891   0.205 100.822
 1938    HG2  GLN  32           HG2      GLN  32  63.488  -1.641 101.317
 1939    HG3  GLN  32           HG1      GLN  32  62.423  -2.758 100.467
 1940   HE21  GLN  32          HE21      GLN  32  65.208  -0.899 100.006
 1941   HE22  GLN  32          HE22      GLN  32  65.108  -0.675  98.327
 1942    H    TYR  33           HN       TYR  33  61.091   1.100 103.263
 1943    HA   TYR  33           HA       TYR  33  63.651   1.035 104.439
 1944    HB2  TYR  33           HB2      TYR  33  62.709   3.134 103.897
 1945    HB3  TYR  33           HB1      TYR  33  61.216   2.753 104.747
 1946    HD1  TYR  33           HD1      TYR  33  64.887   3.043 105.355
 1947    HD2  TYR  33           HD2      TYR  33  60.919   3.543 106.929
 1948    HE1  TYR  33           HE1      TYR  33  65.831   4.025 107.427
 1949    HE2  TYR  33           HE2      TYR  33  61.865   4.525 108.998
 1950    HH   TYR  33           HH       TYR  33  64.010   5.734 109.645
 1951    H    ALA  34           HN       ALA  34  60.385   0.484 105.744
 1952    HA   ALA  34           HA       ALA  34  61.088   0.317 108.456
 1953    HB1  ALA  34           HB1      ALA  34  58.738   0.108 107.002
 1954    HB2  ALA  34           HB2      ALA  34  58.870  -0.141 108.742
 1955    HB3  ALA  34           HB3      ALA  34  58.928  -1.521 107.646
 1956    H    ASN  35           HN       ASN  35  61.210  -2.180 105.857
 1957    HA   ASN  35           HA       ASN  35  61.792  -4.315 107.644
 1958    HB2  ASN  35           HB2      ASN  35  60.943  -4.278 105.134
 1959    HB3  ASN  35           HB1      ASN  35  62.667  -4.324 104.771
 1960   HD21  ASN  35          HD21      ASN  35  63.659  -6.442 104.844
 1961   HD22  ASN  35          HD22      ASN  35  62.924  -7.797 105.555
 1962    H    ASP  36           HN       ASP  36  63.749  -2.193 105.556
 1963    HA   ASP  36           HA       ASP  36  66.255  -3.341 106.180
 1964    HB2  ASP  36           HB2      ASP  36  65.861  -0.487 105.323
 1965    HB3  ASP  36           HB1      ASP  36  67.178  -1.591 104.923
 1966    H    ASN  37           HN       ASN  37  64.329  -0.932 107.907
 1967    HA   ASN  37           HA       ASN  37  66.658  -0.064 109.434
 1968    HB2  ASN  37           HB2      ASN  37  65.253   1.597 110.343
 1969    HB3  ASN  37           HB1      ASN  37  64.856   1.478 108.635
 1970   HD21  ASN  37          HD21      ASN  37  62.821   2.607 109.896
 1971   HD22  ASN  37          HD22      ASN  37  61.575   1.515 110.267
 1972    H    GLY  38           HN       GLY  38  63.994  -2.354 109.873
 1973    HA2  GLY  38           HA2      GLY  38  64.687  -4.072 111.590
 1974    HA3  GLY  38           HA1      GLY  38  64.860  -2.724 112.697
 1975    H    VAL  39           HN       VAL  39  62.222  -1.673 111.178
 1976    HA   VAL  39           HA       VAL  39  60.389  -3.256 112.913
 1977    HB   VAL  39           HB       VAL  39  60.438  -1.092 113.823
 1978   HG11  VAL  39          HG11      VAL  39  60.312   0.958 112.482
 1979   HG12  VAL  39          HG12      VAL  39  60.231  -0.003 111.006
 1980   HG13  VAL  39          HG13      VAL  39  61.685  -0.026 111.994
 1981   HG21  VAL  39          HG21      VAL  39  58.235  -0.215 113.469
 1982   HG22  VAL  39          HG22      VAL  39  58.116  -1.956 113.224
 1983   HG23  VAL  39          HG23      VAL  39  58.165  -0.872 111.838
 1984    H    ASP  40           HN       ASP  40  59.318  -4.653 111.736
 1985    HA   ASP  40           HA       ASP  40  57.893  -3.718 109.308
 1986    HB2  ASP  40           HB2      ASP  40  59.904  -5.331 108.936
 1987    HB3  ASP  40           HB1      ASP  40  58.857  -6.561 109.641
 1988    H    GLY  41           HN       GLY  41  55.721  -3.632 109.970
 1989    HA2  GLY  41           HA2      GLY  41  54.657  -6.049 111.310
 1990    HA3  GLY  41           HA1      GLY  41  54.403  -4.486 112.069
 1991    H    GLU  42           HN       GLU  42  52.061  -4.755 111.879
 1992    HA   GLU  42           HA       GLU  42  50.892  -5.140 109.321
 1993    HB2  GLU  42           HB2      GLU  42  49.368  -3.956 111.620
 1994    HB3  GLU  42           HB1      GLU  42  48.846  -5.131 110.418
 1995    HG2  GLU  42           HG2      GLU  42  50.736  -5.621 112.734
 1996    HG3  GLU  42           HG1      GLU  42  49.116  -6.283 112.527
 1997    H    TRP  43           HN       TRP  43  50.066  -3.648 107.971
 1998    HA   TRP  43           HA       TRP  43  50.877  -0.856 108.446
 1999    HB2  TRP  43           HB2      TRP  43  50.465  -2.492 105.948
 2000    HB3  TRP  43           HB1      TRP  43  50.708  -0.744 105.929
 2001    HD1  TRP  43           HD1      TRP  43  52.559  -4.010 106.865
 2002    HE1  TRP  43           HE1      TRP  43  55.074  -3.477 107.034
 2003    HE3  TRP  43           HE3      TRP  43  52.406   1.021 106.226
 2004    HZ2  TRP  43           HZ2      TRP  43  56.791  -1.206 106.865
 2005    HZ3  TRP  43           HZ3      TRP  43  54.480   2.343 106.218
 2006    HH2  TRP  43           HH2      TRP  43  56.677   1.248 106.535
 2007    H    THR  44           HN       THR  44  49.693   0.751 107.490
 2008    HA   THR  44           HA       THR  44  46.909   0.416 106.806
 2009    HB   THR  44           HB       THR  44  46.709   0.443 109.238
 2010    HG1  THR  44           HG1      THR  44  45.444   1.937 107.768
 2011   HG21  THR  44          HG21      THR  44  48.735   1.320 110.038
 2012   HG22  THR  44          HG22      THR  44  47.573   2.595 110.396
 2013   HG23  THR  44          HG23      THR  44  48.647   2.749 109.009
 2014    H    TYR  45           HN       TYR  45  46.042   2.620 106.081
 2015    HA   TYR  45           HA       TYR  45  48.019   4.723 105.825
 2016    HB2  TYR  45           HB2      TYR  45  48.774   3.506 103.951
 2017    HB3  TYR  45           HB1      TYR  45  47.139   3.088 103.456
 2018    HD1  TYR  45           HD1      TYR  45  48.900   6.301 104.351
 2019    HD2  TYR  45           HD2      TYR  45  46.489   4.177 101.497
 2020    HE1  TYR  45           HE1      TYR  45  48.806   8.317 102.920
 2021    HE2  TYR  45           HE2      TYR  45  46.396   6.196 100.071
 2022    HH   TYR  45           HH       TYR  45  47.629   9.278 101.177
 2023    H    ASP  46           HN       ASP  46  46.980   6.533 106.145
 2024    HA   ASP  46           HA       ASP  46  44.126   6.684 105.418
 2025    HB2  ASP  46           HB2      ASP  46  44.588   7.319 107.739
 2026    HB3  ASP  46           HB1      ASP  46  45.810   8.483 107.199
 2027    H    ASP  47           HN       ASP  47  43.824   7.477 103.346
 2028    HA   ASP  47           HA       ASP  47  45.848   9.151 102.105
 2029    HB2  ASP  47           HB2      ASP  47  44.453   7.293 100.964
 2030    HB3  ASP  47           HB1      ASP  47  43.157   8.486 100.921
 2031    H    ALA  48           HN       ALA  48  43.241   9.644 104.103
 2032    HA   ALA  48           HA       ALA  48  42.294  12.128 102.974
 2033    HB1  ALA  48           HB1      ALA  48  40.797  12.180 104.780
 2034    HB2  ALA  48           HB2      ALA  48  41.868  11.237 105.817
 2035    HB3  ALA  48           HB3      ALA  48  41.014  10.455 104.487
 2036    H    THR  49           HN       THR  49  44.849  11.121 105.179
 2037    HA   THR  49           HA       THR  49  45.566  13.961 105.645
 2038    HB   THR  49           HB       THR  49  46.608  13.001 107.859
 2039    HG1  THR  49           HG1      THR  49  45.930  10.818 107.090
 2040   HG21  THR  49          HG21      THR  49  43.638  13.404 107.460
 2041   HG22  THR  49          HG22      THR  49  44.828  14.617 107.931
 2042   HG23  THR  49          HG23      THR  49  44.411  13.313 109.042
 2043    H    LYS  50           HN       LYS  50  46.387  11.490 103.817
 2044    HA   LYS  50           HA       LYS  50  48.355  10.582 103.015
 2045    HB2  LYS  50           HB2      LYS  50  49.677  13.175 103.800
 2046    HB3  LYS  50           HB1      LYS  50  49.933  12.194 102.360
 2047    HG2  LYS  50           HG2      LYS  50  47.368  13.715 102.949
 2048    HG3  LYS  50           HG1      LYS  50  48.662  14.305 101.912
 2049    HD2  LYS  50           HD2      LYS  50  48.409  12.312 100.472
 2050    HD3  LYS  50           HD1      LYS  50  47.073  11.761 101.480
 2051    HE2  LYS  50           HE2      LYS  50  45.715  13.619 100.863
 2052    HE3  LYS  50           HE1      LYS  50  47.084  14.474 100.151
 2053    HZ1  LYS  50           HZ1      LYS  50  46.421  13.568  98.245
 2054    HZ2  LYS  50           HZ2      LYS  50  45.402  12.447  99.014
 2055    HZ3  LYS  50           HZ3      LYS  50  47.056  12.107  98.827
 2056    H    THR  51           HN       THR  51  47.929   9.631 105.568
 2057    HA   THR  51           HA       THR  51  50.652   9.728 106.760
 2058    HB   THR  51           HB       THR  51  48.020   9.748 108.262
 2059    HG1  THR  51           HG1      THR  51  50.199  11.558 108.277
 2060   HG21  THR  51          HG21      THR  51  49.659   9.943 110.260
 2061   HG22  THR  51          HG22      THR  51  50.874   9.298 109.158
 2062   HG23  THR  51          HG23      THR  51  49.442   8.345 109.547
 2063    H    PHE  52           HN       PHE  52  51.652   7.767 107.001
 2064    HA   PHE  52           HA       PHE  52  50.046   5.285 106.870
 2065    HB2  PHE  52           HB2      PHE  52  52.930   5.944 106.272
 2066    HB3  PHE  52           HB1      PHE  52  52.325   4.290 106.361
 2067    HD1  PHE  52           HD1      PHE  52  51.750   7.577 104.659
 2068    HD2  PHE  52           HD2      PHE  52  51.326   3.304 104.495
 2069    HE1  PHE  52           HE1      PHE  52  51.046   7.725 102.283
 2070    HE2  PHE  52           HE2      PHE  52  50.614   3.461 102.131
 2071    HZ   PHE  52           HZ       PHE  52  50.479   5.665 101.025
 2072    H    THR  53           HN       THR  53  50.770   3.507 108.344
 2073    HA   THR  53           HA       THR  53  52.622   4.216 110.470
 2074    HB   THR  53           HB       THR  53  51.198   3.935 112.349
 2075    HG1  THR  53           HG1      THR  53  49.831   2.382 111.831
 2076   HG21  THR  53          HG21      THR  53  49.621   5.633 110.396
 2077   HG22  THR  53          HG22      THR  53  51.027   6.180 111.288
 2078   HG23  THR  53          HG23      THR  53  49.569   5.736 112.154
 2079    H    VAL  54           HN       VAL  54  53.829   2.354 111.013
 2080    HA   VAL  54           HA       VAL  54  52.630  -0.266 110.266
 2081    HB   VAL  54           HB       VAL  54  54.614   0.336 108.930
 2082   HG11  VAL  54          HG11      VAL  54  56.165   0.221 111.522
 2083   HG12  VAL  54          HG12      VAL  54  55.622   1.735 110.805
 2084   HG13  VAL  54          HG13      VAL  54  56.755   0.701 109.932
 2085   HG21  VAL  54          HG21      VAL  54  54.119  -2.053 109.565
 2086   HG22  VAL  54          HG22      VAL  54  55.226  -1.875 110.926
 2087   HG23  VAL  54          HG23      VAL  54  55.832  -1.749 109.274
 2088    H    THR  55           HN       THR  55  52.198  -1.643 111.910
 2089    HA   THR  55           HA       THR  55  53.606  -1.275 114.498
 2090    HB   THR  55           HB       THR  55  51.103  -0.523 114.289
 2091    HG1  THR  55           HG1      THR  55  52.606  -1.528 116.214
 2092   HG21  THR  55          HG21      THR  55  50.456  -2.768 113.257
 2093   HG22  THR  55          HG22      THR  55  49.452  -2.217 114.594
 2094   HG23  THR  55          HG23      THR  55  50.673  -3.461 114.862
 2095    H    GLU  56           HN       GLU  56  54.781  -3.023 115.111
 2096    HA   GLU  56           HA       GLU  56  54.011  -5.686 114.053
 2097    HB2  GLU  56           HB2      GLU  56  56.493  -6.143 114.919
 2098    HB3  GLU  56           HB1      GLU  56  56.200  -5.407 113.344
 2099    HG2  GLU  56           HG2      GLU  56  56.476  -3.174 114.306
 2100    HG3  GLU  56           HG1      GLU  56  56.720  -3.875 115.905
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  53.425  -1.006 100.041
    2    H2   MET   1           HT2      MET   1  53.571  -2.689  99.863
    3    H3   MET   1           HT3      MET   1  52.099  -1.919  99.509
    4    HA   MET   1           HA       MET   1  52.989  -0.847  97.632
    5    HB2  MET   1           HB2      MET   1  55.187  -0.305  97.558
    6    HB3  MET   1           HB1      MET   1  55.370  -1.083  99.106
    7    HG2  MET   1           HG2      MET   1  55.690  -3.283  97.772
    8    HG3  MET   1           HG1      MET   1  55.870  -2.244  96.359
    9    HE1  MET   1           HE1      MET   1  57.343  -1.381 100.151
   10    HE2  MET   1           HE2      MET   1  58.404  -2.756 100.029
   11    HE3  MET   1           HE3      MET   1  56.669  -2.977  99.827
   12    H    GLN   2           HN       GLN   2  54.025  -2.199  95.609
   13    HA   GLN   2           HA       GLN   2  52.696  -4.847  95.756
   14    HB2  GLN   2           HB2      GLN   2  52.798  -2.772  93.563
   15    HB3  GLN   2           HB1      GLN   2  52.320  -4.441  93.260
   16    HG2  GLN   2           HG2      GLN   2  50.433  -4.269  94.713
   17    HG3  GLN   2           HG1      GLN   2  51.007  -2.751  95.398
   18   HE21  GLN   2          HE21      GLN   2  49.042  -4.095  92.770
   19   HE22  GLN   2          HE22      GLN   2  48.756  -2.623  91.974
   20    H    TYR   3           HN       TYR   3  53.703  -6.566  95.086
   21    HA   TYR   3           HA       TYR   3  56.354  -6.339  93.777
   22    HB2  TYR   3           HB2      TYR   3  55.244  -8.453  95.634
   23    HB3  TYR   3           HB1      TYR   3  56.786  -8.567  94.779
   24    HD1  TYR   3           HD1      TYR   3  58.429  -6.589  95.053
   25    HD2  TYR   3           HD2      TYR   3  55.159  -7.381  97.724
   26    HE1  TYR   3           HE1      TYR   3  59.548  -5.286  96.830
   27    HE2  TYR   3           HE2      TYR   3  56.290  -6.052  99.490
   28    HH   TYR   3           HH       TYR   3  59.541  -4.737  98.981
   29    H    LYS   4           HN       LYS   4  56.571  -7.444  91.900
   30    HA   LYS   4           HA       LYS   4  54.193  -8.979  90.954
   31    HB2  LYS   4           HB2      LYS   4  54.610  -6.733  89.889
   32    HB3  LYS   4           HB1      LYS   4  56.128  -7.376  89.274
   33    HG2  LYS   4           HG2      LYS   4  54.928  -9.102  88.019
   34    HG3  LYS   4           HG1      LYS   4  53.390  -8.554  88.689
   35    HD2  LYS   4           HD2      LYS   4  53.551  -6.430  87.577
   36    HD3  LYS   4           HD1      LYS   4  55.229  -6.721  87.127
   37    HE2  LYS   4           HE2      LYS   4  54.056  -7.170  85.139
   38    HE3  LYS   4           HE1      LYS   4  54.288  -8.773  85.827
   39    HZ1  LYS   4           HZ1      LYS   4  51.855  -7.090  86.003
   40    HZ2  LYS   4           HZ2      LYS   4  52.071  -8.541  86.860
   41    HZ3  LYS   4           HZ3      LYS   4  52.029  -8.552  85.161
   42    H    LEU   5           HN       LEU   5  54.536 -11.055  90.420
   43    HA   LEU   5           HA       LEU   5  57.309 -11.931  89.879
   44    HB2  LEU   5           HB2      LEU   5  56.391 -12.992  91.861
   45    HB3  LEU   5           HB1      LEU   5  54.957 -13.461  90.991
   46    HG   LEU   5           HG       LEU   5  56.833 -15.227  91.468
   47   HD11  LEU   5          HD11      LEU   5  54.815 -15.660  90.153
   48   HD12  LEU   5          HD12      LEU   5  56.218 -16.513  89.523
   49   HD13  LEU   5          HD13      LEU   5  55.630 -15.074  88.706
   50   HD21  LEU   5          HD21      LEU   5  58.613 -15.457  89.993
   51   HD22  LEU   5          HD22      LEU   5  58.607 -13.738  90.307
   52   HD23  LEU   5          HD23      LEU   5  57.930 -14.357  88.818
   53    H    ILE   6           HN       ILE   6  57.771 -12.679  87.931
   54    HA   ILE   6           HA       ILE   6  55.621 -12.931  85.927
   55    HB   ILE   6           HB       ILE   6  58.616 -13.011  85.495
   56   HG12  ILE   6          HG12      ILE   6  57.953 -10.896  86.626
   57   HG13  ILE   6          HG11      ILE   6  58.533 -10.628  84.988
   58   HG21  ILE   6          HG21      ILE   6  57.992 -12.403  83.195
   59   HG22  ILE   6          HG22      ILE   6  56.292 -12.434  83.655
   60   HG23  ILE   6          HG23      ILE   6  57.241 -13.918  83.696
   61   HD11  ILE   6          HD11      ILE   6  56.105 -10.598  84.260
   62   HD12  ILE   6          HD12      ILE   6  56.584  -9.270  85.311
   63   HD13  ILE   6          HD13      ILE   6  55.675 -10.626  85.968
   64    H    LEU   7           HN       LEU   7  55.098 -14.847  85.101
   65    HA   LEU   7           HA       LEU   7  56.403 -17.226  86.209
   66    HB2  LEU   7           HB2      LEU   7  54.001 -16.819  84.447
   67    HB3  LEU   7           HB1      LEU   7  54.620 -18.403  84.820
   68    HG   LEU   7           HG       LEU   7  54.379 -17.247  87.352
   69   HD11  LEU   7          HD11      LEU   7  53.084 -15.383  86.946
   70   HD12  LEU   7          HD12      LEU   7  51.802 -16.566  87.146
   71   HD13  LEU   7          HD13      LEU   7  52.301 -16.062  85.541
   72   HD21  LEU   7          HD21      LEU   7  52.250 -18.823  85.903
   73   HD22  LEU   7          HD22      LEU   7  52.502 -18.755  87.642
   74   HD23  LEU   7          HD23      LEU   7  53.699 -19.532  86.609
   75    H    ASN   8           HN       ASN   8  58.157 -17.952  85.179
   76    HA   ASN   8           HA       ASN   8  58.069 -18.228  82.254
   77    HB2  ASN   8           HB2      ASN   8  60.663 -17.768  82.490
   78    HB3  ASN   8           HB1      ASN   8  59.532 -16.432  82.302
   79   HD21  ASN   8          HD21      ASN   8  62.218 -17.100  83.971
   80   HD22  ASN   8          HD22      ASN   8  61.883 -16.325  85.444
   81    H    GLY   9           HN       GLY   9  57.490 -20.396  82.689
   82    HA2  GLY   9           HA2      GLY   9  59.696 -22.060  83.781
   83    HA3  GLY   9           HA1      GLY   9  58.008 -22.402  84.131
   84    H    LYS  10           HN       LYS  10  58.326 -24.508  83.223
   85    HA   LYS  10           HA       LYS  10  59.164 -24.885  80.552
   86    HB2  LYS  10           HB2      LYS  10  57.257 -26.780  81.930
   87    HB3  LYS  10           HB1      LYS  10  58.574 -27.145  80.813
   88    HG2  LYS  10           HG2      LYS  10  59.999 -25.931  82.802
   89    HG3  LYS  10           HG1      LYS  10  58.679 -26.599  83.756
   90    HD2  LYS  10           HD2      LYS  10  59.147 -28.837  82.823
   91    HD3  LYS  10           HD1      LYS  10  60.474 -28.160  81.877
   92    HE2  LYS  10           HE2      LYS  10  61.652 -27.508  83.900
   93    HE3  LYS  10           HE1      LYS  10  60.291 -28.016  84.899
   94    HZ1  LYS  10           HZ1      LYS  10  62.352 -29.581  84.408
   95    HZ2  LYS  10           HZ2      LYS  10  61.396 -29.994  83.067
   96    HZ3  LYS  10           HZ3      LYS  10  60.786 -30.190  84.640
   97    H    THR  11           HN       THR  11  55.767 -24.832  81.881
   98    HA   THR  11           HA       THR  11  55.020 -23.537  79.410
   99    HB   THR  11           HB       THR  11  52.905 -25.258  80.483
  100    HG1  THR  11           HG1      THR  11  54.495 -26.740  80.859
  101   HG21  THR  11          HG21      THR  11  54.299 -24.906  77.845
  102   HG22  THR  11          HG22      THR  11  52.916 -23.968  78.413
  103   HG23  THR  11          HG23      THR  11  52.756 -25.685  78.087
  104    H    LEU  12           HN       LEU  12  55.241 -23.321  82.714
  105    HA   LEU  12           HA       LEU  12  52.665 -21.987  82.915
  106    HB2  LEU  12           HB2      LEU  12  54.623 -22.951  84.809
  107    HB3  LEU  12           HB1      LEU  12  54.291 -21.259  85.157
  108    HG   LEU  12           HG       LEU  12  52.353 -23.485  84.946
  109   HD11  LEU  12          HD11      LEU  12  51.737 -22.731  87.247
  110   HD12  LEU  12          HD12      LEU  12  53.183 -21.732  87.193
  111   HD13  LEU  12          HD13      LEU  12  53.311 -23.492  87.071
  112   HD21  LEU  12          HD21      LEU  12  50.913 -21.279  85.855
  113   HD22  LEU  12          HD22      LEU  12  50.829 -21.946  84.274
  114   HD23  LEU  12          HD23      LEU  12  51.913 -20.645  84.563
  115    H    LYS  13           HN       LYS  13  52.399 -20.051  81.941
  116    HA   LYS  13           HA       LYS  13  54.405 -17.964  82.500
  117    HB2  LYS  13           HB2      LYS  13  53.460 -18.689  79.726
  118    HB3  LYS  13           HB1      LYS  13  54.237 -17.160  80.112
  119    HG2  LYS  13           HG2      LYS  13  56.198 -18.211  79.668
  120    HG3  LYS  13           HG1      LYS  13  56.003 -18.986  81.232
  121    HD2  LYS  13           HD2      LYS  13  54.534 -20.713  79.818
  122    HD3  LYS  13           HD1      LYS  13  55.503 -20.092  78.482
  123    HE2  LYS  13           HE2      LYS  13  56.740 -21.932  79.300
  124    HE3  LYS  13           HE1      LYS  13  57.538 -20.531  80.016
  125    HZ1  LYS  13           HZ1      LYS  13  56.864 -21.094  82.060
  126    HZ2  LYS  13           HZ2      LYS  13  56.617 -22.641  81.407
  127    HZ3  LYS  13           HZ3      LYS  13  55.321 -21.554  81.542
  128    H    GLY  14           HN       GLY  14  53.587 -16.088  82.980
  129    HA2  GLY  14           HA2      GLY  14  51.473 -14.671  81.881
  130    HA3  GLY  14           HA1      GLY  14  50.825 -15.559  83.261
  131    H    GLU  15           HN       GLU  15  50.494 -13.476  84.469
  132    HA   GLU  15           HA       GLU  15  53.093 -12.587  85.640
  133    HB2  GLU  15           HB2      GLU  15  50.681 -10.795  85.526
  134    HB3  GLU  15           HB1      GLU  15  52.333 -10.390  85.951
  135    HG2  GLU  15           HG2      GLU  15  51.588 -11.427  83.231
  136    HG3  GLU  15           HG1      GLU  15  51.552  -9.717  83.632
  137    H    THR  16           HN       THR  16  52.949 -11.872  87.889
  138    HA   THR  16           HA       THR  16  50.551 -12.706  89.363
  139    HB   THR  16           HB       THR  16  52.735 -13.655  90.923
  140    HG1  THR  16           HG1      THR  16  52.968 -14.087  88.192
  141   HG21  THR  16          HG21      THR  16  50.644 -15.119  89.313
  142   HG22  THR  16          HG22      THR  16  50.496 -14.580  90.986
  143   HG23  THR  16          HG23      THR  16  51.650 -15.847  90.566
  144    H    THR  17           HN       THR  17  50.191 -11.494  91.223
  145    HA   THR  17           HA       THR  17  52.357  -9.759  92.171
  146    HB   THR  17           HB       THR  17  49.720  -8.445  91.579
  147    HG1  THR  17           HG1      THR  17  51.754  -8.130  89.751
  148   HG21  THR  17          HG21      THR  17  52.514  -7.305  91.475
  149   HG22  THR  17          HG22      THR  17  51.634  -7.427  92.994
  150   HG23  THR  17          HG23      THR  17  50.992  -6.449  91.686
  151    H    THR  18           HN       THR  18  51.948  -8.683  94.148
  152    HA   THR  18           HA       THR  18  49.635  -9.377  95.725
  153    HB   THR  18           HB       THR  18  51.232 -11.356  95.898
  154    HG1  THR  18           HG1      THR  18  49.727 -10.240  97.612
  155   HG21  THR  18          HG21      THR  18  52.851  -9.620  97.732
  156   HG22  THR  18          HG22      THR  18  53.239  -9.648  96.013
  157   HG23  THR  18          HG23      THR  18  53.295 -11.139  96.957
  158    H    GLU  19           HN       GLU  19  49.550  -8.140  97.686
  159    HA   GLU  19           HA       GLU  19  51.178  -5.666  97.605
  160    HB2  GLU  19           HB2      GLU  19  48.646  -5.578  97.493
  161    HB3  GLU  19           HB1      GLU  19  48.619  -6.251  99.119
  162    HG2  GLU  19           HG2      GLU  19  48.571  -4.016  99.698
  163    HG3  GLU  19           HG1      GLU  19  50.318  -4.198  99.572
  164    H    ALA  20           HN       ALA  20  52.851  -5.601  99.053
  165    HA   ALA  20           HA       ALA  20  52.418  -6.541 101.785
  166    HB1  ALA  20           HB1      ALA  20  54.774  -7.616 100.228
  167    HB2  ALA  20           HB2      ALA  20  53.261  -8.505 100.370
  168    HB3  ALA  20           HB3      ALA  20  54.193  -8.115 101.813
  169    H    VAL  21           HN       VAL  21  54.127  -5.915 103.223
  170    HA   VAL  21           HA       VAL  21  55.118  -3.310 102.632
  171    HB   VAL  21           HB       VAL  21  54.618  -3.589 104.898
  172   HG11  VAL  21          HG11      VAL  21  55.440  -5.660 106.150
  173   HG12  VAL  21          HG12      VAL  21  55.801  -6.337 104.568
  174   HG13  VAL  21          HG13      VAL  21  54.147  -5.899 104.981
  175   HG21  VAL  21          HG21      VAL  21  57.496  -4.484 105.086
  176   HG22  VAL  21          HG22      VAL  21  56.641  -3.320 106.090
  177   HG23  VAL  21          HG23      VAL  21  57.110  -2.889 104.449
  178    H    ASP  22           HN       ASP  22  56.494  -6.541 103.014
  179    HA   ASP  22           HA       ASP  22  59.032  -5.501 101.865
  180    HB2  ASP  22           HB2      ASP  22  58.528  -7.838 103.690
  181    HB3  ASP  22           HB1      ASP  22  60.071  -7.506 102.905
  182    H    ALA  23           HN       ALA  23  60.120  -6.684 100.387
  183    HA   ALA  23           HA       ALA  23  58.473  -8.130  98.528
  184    HB1  ALA  23           HB1      ALA  23  61.423  -8.257  98.226
  185    HB2  ALA  23           HB2      ALA  23  60.743  -6.638  98.326
  186    HB3  ALA  23           HB3      ALA  23  60.185  -7.746  97.074
  187    H    ALA  24           HN       ALA  24  61.022  -8.905 100.852
  188    HA   ALA  24           HA       ALA  24  61.296 -11.644 100.235
  189    HB1  ALA  24           HB1      ALA  24  62.943 -10.536 101.646
  190    HB2  ALA  24           HB2      ALA  24  62.204 -11.851 102.561
  191    HB3  ALA  24           HB3      ALA  24  61.715 -10.184 102.862
  192    H    THR  25           HN       THR  25  58.920  -9.941 102.454
  193    HA   THR  25           HA       THR  25  57.838 -12.366 103.505
  194    HB   THR  25           HB       THR  25  57.612  -9.862 104.369
  195    HG1  THR  25           HG1      THR  25  55.327 -10.865 105.060
  196   HG21  THR  25          HG21      THR  25  56.128  -9.370 102.217
  197   HG22  THR  25          HG22      THR  25  55.696  -8.662 103.767
  198   HG23  THR  25          HG23      THR  25  54.855 -10.098 103.189
  199    H    ALA  26           HN       ALA  26  57.137 -10.371 100.683
  200    HA   ALA  26           HA       ALA  26  54.695 -11.661  99.966
  201    HB1  ALA  26           HB1      ALA  26  55.447 -10.591  97.632
  202    HB2  ALA  26           HB2      ALA  26  56.589  -9.743  98.668
  203    HB3  ALA  26           HB3      ALA  26  54.857  -9.583  98.953
  204    H    GLU  27           HN       GLU  27  58.057 -12.171  99.228
  205    HA   GLU  27           HA       GLU  27  57.836 -13.968  97.100
  206    HB2  GLU  27           HB2      GLU  27  60.102 -13.951  97.194
  207    HB3  GLU  27           HB1      GLU  27  59.910 -12.797  98.509
  208    HG2  GLU  27           HG2      GLU  27  59.878 -14.711 100.121
  209    HG3  GLU  27           HG1      GLU  27  60.202 -15.802  98.789
  210    H    LYS  28           HN       LYS  28  57.462 -14.486 100.529
  211    HA   LYS  28           HA       LYS  28  57.858 -17.240 100.707
  212    HB2  LYS  28           HB2      LYS  28  55.630 -15.664 102.042
  213    HB3  LYS  28           HB1      LYS  28  56.266 -17.216 102.574
  214    HG2  LYS  28           HG2      LYS  28  58.532 -16.026 102.759
  215    HG3  LYS  28           HG1      LYS  28  57.631 -14.524 102.622
  216    HD2  LYS  28           HD2      LYS  28  57.271 -16.669 104.745
  217    HD3  LYS  28           HD1      LYS  28  57.942 -15.057 104.988
  218    HE2  LYS  28           HE2      LYS  28  55.683 -14.168 104.083
  219    HE3  LYS  28           HE1      LYS  28  55.077 -15.802 104.318
  220    HZ1  LYS  28           HZ1      LYS  28  56.432 -14.594 106.679
  221    HZ2  LYS  28           HZ2      LYS  28  55.035 -15.557 106.632
  222    HZ3  LYS  28           HZ3      LYS  28  54.936 -13.901 106.267
  223    H    VAL  29           HN       VAL  29  55.013 -15.402  99.668
  224    HA   VAL  29           HA       VAL  29  53.387 -17.701  99.184
  225    HB   VAL  29           HB       VAL  29  53.083 -14.970  97.930
  226   HG11  VAL  29          HG11      VAL  29  51.636 -16.775  97.057
  227   HG12  VAL  29          HG12      VAL  29  50.695 -15.585  97.957
  228   HG13  VAL  29          HG13      VAL  29  51.099 -17.135  98.697
  229   HG21  VAL  29          HG21      VAL  29  52.200 -15.974 100.656
  230   HG22  VAL  29          HG22      VAL  29  51.668 -14.460  99.925
  231   HG23  VAL  29          HG23      VAL  29  53.366 -14.688 100.344
  232    H    PHE  30           HN       PHE  30  55.132 -15.482  96.996
  233    HA   PHE  30           HA       PHE  30  54.537 -16.783  94.596
  234    HB2  PHE  30           HB2      PHE  30  56.931 -15.114  95.312
  235    HB3  PHE  30           HB1      PHE  30  56.523 -15.607  93.686
  236    HD1  PHE  30           HD1      PHE  30  53.656 -15.178  93.386
  237    HD2  PHE  30           HD2      PHE  30  56.527 -12.840  95.582
  238    HE1  PHE  30           HE1      PHE  30  52.220 -13.185  93.162
  239    HE2  PHE  30           HE2      PHE  30  55.087 -10.858  95.342
  240    HZ   PHE  30           HZ       PHE  30  52.932 -11.023  94.136
  241    H    LYS  31           HN       LYS  31  57.407 -17.200  96.709
  242    HA   LYS  31           HA       LYS  31  58.613 -19.035  94.874
  243    HB2  LYS  31           HB2      LYS  31  59.211 -17.961  97.558
  244    HB3  LYS  31           HB1      LYS  31  59.897 -19.532  97.222
  245    HG2  LYS  31           HG2      LYS  31  61.163 -18.723  95.412
  246    HG3  LYS  31           HG1      LYS  31  60.169 -17.294  95.236
  247    HD2  LYS  31           HD2      LYS  31  61.296 -16.118  96.832
  248    HD3  LYS  31           HD1      LYS  31  61.451 -17.506  97.896
  249    HE2  LYS  31           HE2      LYS  31  63.184 -17.978  95.662
  250    HE3  LYS  31           HE1      LYS  31  63.462 -16.334  96.228
  251    HZ1  LYS  31           HZ1      LYS  31  63.089 -18.192  98.367
  252    HZ2  LYS  31           HZ2      LYS  31  64.327 -17.056  98.114
  253    HZ3  LYS  31           HZ3      LYS  31  64.416 -18.590  97.388
  254    H    GLN  32           HN       GLN  32  56.553 -19.370  97.712
  255    HA   GLN  32           HA       GLN  32  56.725 -22.237  97.795
  256    HB2  GLN  32           HB2      GLN  32  56.097 -20.828  99.748
  257    HB3  GLN  32           HB1      GLN  32  54.609 -20.387  98.912
  258    HG2  GLN  32           HG2      GLN  32  53.993 -22.799  98.793
  259    HG3  GLN  32           HG1      GLN  32  55.445 -23.189  99.712
  260   HE21  GLN  32          HE21      GLN  32  55.005 -23.496 101.926
  261   HE22  GLN  32          HE22      GLN  32  53.808 -22.660 102.793
  262    H    TYR  33           HN       TYR  33  54.721 -19.817  96.276
  263    HA   TYR  33           HA       TYR  33  52.618 -21.478  95.386
  264    HB2  TYR  33           HB2      TYR  33  52.242 -19.145  95.473
  265    HB3  TYR  33           HB1      TYR  33  53.723 -18.811  94.584
  266    HD1  TYR  33           HD2      TYR  33  50.297 -20.155  94.320
  267    HD2  TYR  33           HD1      TYR  33  53.819 -18.908  92.197
  268    HE1  TYR  33           HE2      TYR  33  49.037 -20.226  92.185
  269    HE2  TYR  33           HE1      TYR  33  52.558 -18.979  90.064
  270    HH   TYR  33           HH       TYR  33  50.551 -20.115  89.153
  271    H    ALA  34           HN       ALA  34  55.696 -20.463  93.965
  272    HA   ALA  34           HA       ALA  34  55.289 -21.414  91.360
  273    HB1  ALA  34           HB1      ALA  34  58.045 -21.675  92.434
  274    HB2  ALA  34           HB2      ALA  34  57.309 -20.088  92.647
  275    HB3  ALA  34           HB3      ALA  34  57.465 -20.773  91.031
  276    H    ASN  35           HN       ASN  35  56.376 -23.153  94.332
  277    HA   ASN  35           HA       ASN  35  57.032 -25.542  92.924
  278    HB2  ASN  35           HB2      ASN  35  57.675 -24.679  95.345
  279    HB3  ASN  35           HB1      ASN  35  56.214 -25.543  95.813
  280   HD21  ASN  35          HD21      ASN  35  56.544 -27.807  96.247
  281   HD22  ASN  35          HD22      ASN  35  57.851 -28.706  95.642
  282    H    ASP  36           HN       ASP  36  54.209 -24.369  94.735
  283    HA   ASP  36           HA       ASP  36  52.655 -26.716  94.510
  284    HB2  ASP  36           HB2      ASP  36  51.477 -23.965  94.773
  285    HB3  ASP  36           HB1      ASP  36  50.943 -25.477  95.508
  286    H    ASN  37           HN       ASN  37  53.196 -24.089  92.221
  287    HA   ASN  37           HA       ASN  37  50.810 -24.859  90.710
  288    HB2  ASN  37           HB2      ASN  37  51.166 -22.898  89.443
  289    HB3  ASN  37           HB1      ASN  37  51.469 -22.479  91.122
  290   HD21  ASN  37          HD21      ASN  37  52.671 -20.702  89.523
  291   HD22  ASN  37          HD22      ASN  37  54.325 -21.021  89.324
  292    H    GLY  38           HN       GLY  38  54.306 -25.426  90.569
  293    HA2  GLY  38           HA2      GLY  38  54.777 -27.520  89.270
  294    HA3  GLY  38           HA1      GLY  38  53.901 -26.782  87.945
  295    H    VAL  39           HN       VAL  39  55.392 -24.120  88.853
  296    HA   VAL  39           HA       VAL  39  57.832 -24.728  87.265
  297    HB   VAL  39           HB       VAL  39  56.552 -23.119  86.096
  298   HG11  VAL  39          HG11      VAL  39  55.092 -22.568  88.069
  299   HG12  VAL  39          HG12      VAL  39  55.529 -21.191  87.085
  300   HG13  VAL  39          HG13      VAL  39  56.341 -21.476  88.617
  301   HG21  VAL  39          HG21      VAL  39  58.459 -21.431  87.730
  302   HG22  VAL  39          HG22      VAL  39  57.939 -21.153  86.073
  303   HG23  VAL  39          HG23      VAL  39  58.984 -22.515  86.452
  304    H    ASP  40           HN       ASP  40  59.513 -25.076  88.521
  305    HA   ASP  40           HA       ASP  40  60.134 -23.120  90.664
  306    HB2  ASP  40           HB2      ASP  40  59.385 -25.498  91.417
  307    HB3  ASP  40           HB1      ASP  40  60.956 -26.020  90.815
  308    H    GLY  41           HN       GLY  41  61.871 -21.933  89.824
  309    HA2  GLY  41           HA2      GLY  41  64.158 -23.503  88.793
  310    HA3  GLY  41           HA1      GLY  41  63.490 -22.235  87.786
  311    H    GLU  42           HN       GLU  42  65.550 -21.078  87.825
  312    HA   GLU  42           HA       GLU  42  66.684 -20.271  90.301
  313    HB2  GLU  42           HB2      GLU  42  67.279 -18.813  87.767
  314    HB3  GLU  42           HB1      GLU  42  68.373 -19.314  89.047
  315    HG2  GLU  42           HG2      GLU  42  67.113 -21.080  86.932
  316    HG3  GLU  42           HG1      GLU  42  68.821 -20.701  87.122
  317    H    TRP  43           HN       TRP  43  66.694 -18.134  91.138
  318    HA   TRP  43           HA       TRP  43  64.330 -16.526  90.340
  319    HB2  TRP  43           HB2      TRP  43  65.470 -17.173  93.047
  320    HB3  TRP  43           HB1      TRP  43  64.227 -15.953  92.774
  321    HD1  TRP  43           HD1      TRP  43  64.737 -19.795  92.512
  322    HE1  TRP  43           HE1      TRP  43  62.390 -20.870  92.522
  323    HE3  TRP  43           HE3      TRP  43  61.914 -15.604  92.398
  324    HZ2  TRP  43           HZ2      TRP  43  59.654 -20.016  92.522
  325    HZ3  TRP  43           HZ3      TRP  43  59.467 -15.734  92.422
  326    HH2  TRP  43           HH2      TRP  43  58.317 -17.927  92.484
  327    H    THR  44           HN       THR  44  64.410 -14.476  90.375
  328    HA   THR  44           HA       THR  44  66.746 -13.050  91.365
  329    HB   THR  44           HB       THR  44  67.021 -13.034  88.989
  330    HG1  THR  44           HG1      THR  44  66.390 -10.876  90.404
  331   HG21  THR  44          HG21      THR  44  64.065 -12.484  89.016
  332   HG22  THR  44          HG22      THR  44  64.949 -13.719  88.124
  333   HG23  THR  44          HG23      THR  44  65.051 -12.032  87.629
  334    H    TYR  45           HN       TYR  45  66.172 -10.708  92.036
  335    HA   TYR  45           HA       TYR  45  63.252 -10.408  92.197
  336    HB2  TYR  45           HB2      TYR  45  63.527 -11.296  94.327
  337    HB3  TYR  45           HB1      TYR  45  65.094 -10.524  94.547
  338    HD1  TYR  45           HD1      TYR  45  61.818  -9.072  93.350
  339    HD2  TYR  45           HD2      TYR  45  64.899  -9.060  96.347
  340    HE1  TYR  45           HE1      TYR  45  60.828  -7.056  94.375
  341    HE2  TYR  45           HE2      TYR  45  63.897  -7.050  97.371
  342    HH   TYR  45           HH       TYR  45  62.190  -5.647  97.345
  343    H    ASP  46           HN       ASP  46  62.735  -8.560  91.381
  344    HA   ASP  46           HA       ASP  46  64.797  -6.530  91.333
  345    HB2  ASP  46           HB2      ASP  46  63.173  -6.919  89.276
  346    HB3  ASP  46           HB1      ASP  46  62.007  -6.063  90.269
  347    H    ASP  47           HN       ASP  47  65.092  -5.374  93.094
  348    HA   ASP  47           HA       ASP  47  62.677  -4.705  94.702
  349    HB2  ASP  47           HB2      ASP  47  65.005  -5.577  95.695
  350    HB3  ASP  47           HB1      ASP  47  65.423  -3.869  95.555
  351    H    ALA  48           HN       ALA  48  64.562  -3.728  92.300
  352    HA   ALA  48           HA       ALA  48  64.707  -0.916  92.773
  353    HB1  ALA  48           HB1      ALA  48  65.055  -2.236  90.101
  354    HB2  ALA  48           HB2      ALA  48  66.184  -2.651  91.392
  355    HB3  ALA  48           HB3      ALA  48  66.028  -0.977  90.859
  356    H    THR  49           HN       THR  49  62.498  -3.162  91.214
  357    HA   THR  49           HA       THR  49  60.570  -1.031  90.542
  358    HB   THR  49           HB       THR  49  59.886  -2.688  88.618
  359    HG1  THR  49           HG1      THR  49  62.512  -3.371  88.365
  360   HG21  THR  49          HG21      THR  49  60.765  -0.532  88.071
  361   HG22  THR  49          HG22      THR  49  61.630  -1.718  87.094
  362   HG23  THR  49          HG23      THR  49  62.397  -1.022  88.521
  363    H    LYS  50           HN       LYS  50  61.232  -3.556  92.549
  364    HA   LYS  50           HA       LYS  50  59.944  -4.999  93.795
  365    HB2  LYS  50           HB2      LYS  50  57.475  -3.624  92.742
  366    HB3  LYS  50           HB1      LYS  50  57.737  -4.361  94.319
  367    HG2  LYS  50           HG2      LYS  50  59.089  -1.825  93.335
  368    HG3  LYS  50           HG1      LYS  50  57.739  -1.890  94.457
  369    HD2  LYS  50           HD2      LYS  50  59.119  -3.220  96.012
  370    HD3  LYS  50           HD1      LYS  50  60.481  -3.091  94.909
  371    HE2  LYS  50           HE2      LYS  50  60.616  -0.736  95.193
  372    HE3  LYS  50           HE1      LYS  50  59.054  -0.676  96.006
  373    HZ1  LYS  50           HZ1      LYS  50  61.616  -1.186  97.101
  374    HZ2  LYS  50           HZ2      LYS  50  60.570  -2.488  97.420
  375    HZ3  LYS  50           HZ3      LYS  50  60.147  -0.915  97.902
  376    H    THR  51           HN       THR  51  60.814  -6.125  91.483
  377    HA   THR  51           HA       THR  51  58.456  -7.707  90.642
  378    HB   THR  51           HB       THR  51  60.410  -6.425  88.707
  379    HG1  THR  51           HG1      THR  51  58.471  -5.537  87.914
  380   HG21  THR  51          HG21      THR  51  58.956  -7.606  86.981
  381   HG22  THR  51          HG22      THR  51  58.331  -8.588  88.305
  382   HG23  THR  51          HG23      THR  51  60.045  -8.652  87.894
  383    H    PHE  52           HN       PHE  52  58.770  -9.890  90.749
  384    HA   PHE  52           HA       PHE  52  61.506 -10.974  90.922
  385    HB2  PHE  52           HB2      PHE  52  58.796 -12.014  91.728
  386    HB3  PHE  52           HB1      PHE  52  60.269 -12.973  91.827
  387    HD1  PHE  52           HD2      PHE  52  58.812  -9.690  92.923
  388    HD2  PHE  52           HD1      PHE  52  61.511 -12.919  93.797
  389    HE1  PHE  52           HE2      PHE  52  59.197  -8.772  95.197
  390    HE2  PHE  52           HE1      PHE  52  61.878 -12.005  96.065
  391    HZ   PHE  52           HZ       PHE  52  60.725  -9.942  96.765
  392    H    THR  53           HN       THR  53  61.955 -13.003  89.744
  393    HA   THR  53           HA       THR  53  59.974 -13.876  87.784
  394    HB   THR  53           HB       THR  53  61.419 -13.725  85.844
  395    HG1  THR  53           HG1      THR  53  63.440 -12.959  85.957
  396   HG21  THR  53          HG21      THR  53  61.610 -10.975  87.046
  397   HG22  THR  53          HG22      THR  53  60.049 -11.677  86.672
  398   HG23  THR  53          HG23      THR  53  61.214 -11.439  85.393
  399    H    VAL  54           HN       VAL  54  60.053 -16.172  87.630
  400    HA   VAL  54           HA       VAL  54  62.529 -17.458  88.648
  401    HB   VAL  54           HB       VAL  54  60.570 -17.876  90.064
  402   HG11  VAL  54          HG11      VAL  54  59.380 -19.313  87.681
  403   HG12  VAL  54          HG12      VAL  54  58.945 -17.660  88.108
  404   HG13  VAL  54          HG13      VAL  54  58.613 -18.977  89.232
  405   HG21  VAL  54          HG21      VAL  54  60.835 -20.288  90.178
  406   HG22  VAL  54          HG22      VAL  54  62.389 -19.609  89.692
  407   HG23  VAL  54          HG23      VAL  54  61.341 -20.363  88.490
  408    H    THR  55           HN       THR  55  63.694 -18.687  87.249
  409    HA   THR  55           HA       THR  55  62.398 -19.627  84.744
  410    HB   THR  55           HB       THR  55  64.142 -17.646  84.698
  411    HG1  THR  55           HG1      THR  55  63.373 -19.492  83.028
  412   HG21  THR  55          HG21      THR  55  66.037 -20.010  84.582
  413   HG22  THR  55          HG22      THR  55  65.816 -19.039  86.033
  414   HG23  THR  55          HG23      THR  55  66.447 -18.304  84.579
  415    H    GLU  56           HN       GLU  56  62.428 -21.837  84.450
  416    HA   GLU  56           HA       GLU  56  64.513 -23.399  85.886
  417    HB2  GLU  56           HB2      GLU  56  62.714 -25.291  85.430
  418    HB3  GLU  56           HB1      GLU  56  62.534 -24.195  86.799
  419    HG2  GLU  56           HG2      GLU  56  61.051 -22.763  85.516
  420    HG3  GLU  56           HG1      GLU  56  61.278 -23.761  84.081
  421    H1   MET   1           HT1      MET   1  69.447 -24.922  69.688
  422    H2   MET   1           HT2      MET   1  69.030 -23.339  70.140
  423    H3   MET   1           HT3      MET   1  68.163 -24.660  70.762
  424    HA   MET   1           HA       MET   1  70.032 -25.421  71.989
  425    HB2  MET   1           HB2      MET   1  72.167 -24.852  71.408
  426    HB3  MET   1           HB1      MET   1  71.464 -24.056  70.016
  427    HG2  MET   1           HG2      MET   1  71.210 -22.000  71.643
  428    HG3  MET   1           HG1      MET   1  72.409 -22.853  72.610
  429    HE1  MET   1           HE1      MET   1  71.901 -22.371  68.593
  430    HE2  MET   1           HE2      MET   1  72.782 -20.857  68.566
  431    HE3  MET   1           HE3      MET   1  71.378 -21.023  69.611
  432    H    GLN   2           HN       GLN   2  71.147 -23.735  73.886
  433    HA   GLN   2           HA       GLN   2  68.845 -22.056  74.736
  434    HB2  GLN   2           HB2      GLN   2  70.571 -23.978  76.305
  435    HB3  GLN   2           HB1      GLN   2  69.587 -22.743  77.088
  436    HG2  GLN   2           HG2      GLN   2  67.560 -23.684  76.257
  437    HG3  GLN   2           HG1      GLN   2  68.419 -24.709  75.108
  438   HE21  GLN   2          HE21      GLN   2  67.250 -24.576  78.471
  439   HE22  GLN   2          HE22      GLN   2  67.881 -26.078  78.943
  440    H    TYR   3           HN       TYR   3  69.226 -20.142  75.662
  441    HA   TYR   3           HA       TYR   3  72.025 -19.213  75.940
  442    HB2  TYR   3           HB2      TYR   3  69.548 -17.707  75.085
  443    HB3  TYR   3           HB1      TYR   3  71.104 -16.956  75.450
  444    HD1  TYR   3           HD1      TYR   3  73.178 -17.887  74.213
  445    HD2  TYR   3           HD2      TYR   3  69.131 -18.522  72.921
  446    HE1  TYR   3           HE1      TYR   3  73.978 -18.349  71.916
  447    HE2  TYR   3           HE2      TYR   3  69.941 -19.001  70.627
  448    HH   TYR   3           HH       TYR   3  73.368 -18.638  69.786
  449    H    LYS   4           HN       LYS   4  72.507 -18.299  77.863
  450    HA   LYS   4           HA       LYS   4  70.294 -18.087  79.853
  451    HB2  LYS   4           HB2      LYS   4  71.944 -19.980  80.153
  452    HB3  LYS   4           HB1      LYS   4  73.186 -18.761  80.417
  453    HG2  LYS   4           HG2      LYS   4  71.963 -17.885  82.350
  454    HG3  LYS   4           HG1      LYS   4  70.647 -19.027  82.065
  455    HD2  LYS   4           HD2      LYS   4  72.052 -20.916  82.543
  456    HD3  LYS   4           HD1      LYS   4  73.507 -19.923  82.515
  457    HE2  LYS   4           HE2      LYS   4  73.084 -20.228  84.814
  458    HE3  LYS   4           HE1      LYS   4  72.415 -18.634  84.484
  459    HZ1  LYS   4           HZ1      LYS   4  70.926 -21.191  84.650
  460    HZ2  LYS   4           HZ2      LYS   4  70.240 -19.719  84.150
  461    HZ3  LYS   4           HZ3      LYS   4  70.836 -19.888  85.731
  462    H    LEU   5           HN       LEU   5  69.989 -16.135  80.740
  463    HA   LEU   5           HA       LEU   5  72.173 -14.140  80.550
  464    HB2  LEU   5           HB2      LEU   5  70.218 -13.467  79.285
  465    HB3  LEU   5           HB1      LEU   5  69.170 -13.808  80.631
  466    HG   LEU   5           HG       LEU   5  69.804 -11.332  80.057
  467   HD11  LEU   5          HD11      LEU   5  68.431 -11.925  81.953
  468   HD12  LEU   5          HD12      LEU   5  69.569 -10.658  82.394
  469   HD13  LEU   5          HD13      LEU   5  69.857 -12.312  82.910
  470   HD21  LEU   5          HD21      LEU   5  71.743 -10.406  80.917
  471   HD22  LEU   5          HD22      LEU   5  72.326 -11.910  80.237
  472   HD23  LEU   5          HD23      LEU   5  72.065 -11.771  81.966
  473    H    ILE   6           HN       ILE   6  73.038 -13.421  82.396
  474    HA   ILE   6           HA       ILE   6  71.916 -14.365  84.957
  475    HB   ILE   6           HB       ILE   6  74.546 -12.953  84.457
  476   HG12  ILE   6          HG12      ILE   6  74.430 -15.017  83.106
  477   HG13  ILE   6          HG11      ILE   6  75.598 -15.173  84.415
  478   HG21  ILE   6          HG21      ILE   6  75.149 -13.984  86.619
  479   HG22  ILE   6          HG22      ILE   6  73.528 -14.665  86.731
  480   HG23  ILE   6          HG23      ILE   6  73.752 -12.918  86.759
  481   HD11  ILE   6          HD11      ILE   6  73.731 -16.309  85.738
  482   HD12  ILE   6          HD12      ILE   6  74.362 -17.206  84.363
  483   HD13  ILE   6          HD13      ILE   6  72.827 -16.355  84.227
  484    H    LEU   7           HN       LEU   7  71.029 -13.001  86.359
  485    HA   LEU   7           HA       LEU   7  70.769 -10.195  85.567
  486    HB2  LEU   7           HB2      LEU   7  69.528 -11.859  87.756
  487    HB3  LEU   7           HB1      LEU   7  69.299 -10.125  87.643
  488    HG   LEU   7           HG       LEU   7  68.709 -11.035  85.039
  489   HD11  LEU   7          HD11      LEU   7  68.648 -13.358  86.252
  490   HD12  LEU   7          HD12      LEU   7  67.351 -12.906  85.155
  491   HD13  LEU   7          HD13      LEU   7  67.113 -12.782  86.880
  492   HD21  LEU   7          HD21      LEU   7  66.835 -10.535  87.336
  493   HD22  LEU   7          HD22      LEU   7  66.416 -10.450  85.637
  494   HD23  LEU   7          HD23      LEU   7  67.552  -9.293  86.329
  495    H    ASN   8           HN       ASN   8  72.258  -8.827  86.196
  496    HA   ASN   8           HA       ASN   8  73.202  -8.882  88.975
  497    HB2  ASN   8           HB2      ASN   8  75.434  -8.032  87.876
  498    HB3  ASN   8           HB1      ASN   8  75.116  -9.761  87.987
  499   HD21  ASN   8          HD21      ASN   8  76.383  -7.642  85.870
  500   HD22  ASN   8          HD22      ASN   8  75.859  -8.314  84.402
  501    H    GLY   9           HN       GLY   9  71.629  -7.213  89.284
  502    HA2  GLY   9           HA2      GLY   9  72.311  -4.634  87.958
  503    HA3  GLY   9           HA1      GLY   9  70.660  -5.107  88.328
  504    H    LYS  10           HN       LYS  10  70.446  -3.156  89.548
  505    HA   LYS  10           HA       LYS  10  72.116  -2.631  91.787
  506    HB2  LYS  10           HB2      LYS  10  69.265  -1.649  91.588
  507    HB3  LYS  10           HB1      LYS  10  70.668  -0.843  92.293
  508    HG2  LYS  10           HG2      LYS  10  71.571  -1.114  89.742
  509    HG3  LYS  10           HG1      LYS  10  69.841  -1.052  89.418
  510    HD2  LYS  10           HD2      LYS  10  69.702   1.071  90.695
  511    HD3  LYS  10           HD1      LYS  10  71.447   1.011  90.952
  512    HE2  LYS  10           HE2      LYS  10  71.857   1.136  88.561
  513    HE3  LYS  10           HE1      LYS  10  70.130   1.027  88.222
  514    HZ1  LYS  10           HZ1      LYS  10  71.411   3.328  88.394
  515    HZ2  LYS  10           HZ2      LYS  10  70.982   3.147  90.028
  516    HZ3  LYS  10           HZ3      LYS  10  69.780   3.158  88.827
  517    H    THR  11           HN       THR  11  68.798  -4.098  91.583
  518    HA   THR  11           HA       THR  11  69.571  -5.717  93.843
  519    HB   THR  11           HB       THR  11  66.703  -5.050  93.793
  520    HG1  THR  11           HG1      THR  11  67.346  -2.995  93.352
  521   HG21  THR  11          HG21      THR  11  68.904  -4.929  95.827
  522   HG22  THR  11          HG22      THR  11  67.983  -6.381  95.427
  523   HG23  THR  11          HG23      THR  11  67.189  -4.997  96.151
  524    H    LEU  12           HN       LEU  12  68.617  -5.635  90.621
  525    HA   LEU  12           HA       LEU  12  67.012  -8.019  90.985
  526    HB2  LEU  12           HB2      LEU  12  67.549  -6.271  88.729
  527    HB3  LEU  12           HB1      LEU  12  67.730  -7.952  88.246
  528    HG   LEU  12           HG       LEU  12  65.400  -6.658  89.486
  529   HD11  LEU  12          HD11      LEU  12  64.278  -7.644  87.385
  530   HD12  LEU  12          HD12      LEU  12  65.927  -7.729  86.792
  531   HD13  LEU  12          HD13      LEU  12  65.238  -6.180  87.259
  532   HD21  LEU  12          HD21      LEU  12  65.288  -9.502  88.626
  533   HD22  LEU  12          HD22      LEU  12  64.245  -8.707  89.738
  534   HD23  LEU  12          HD23      LEU  12  65.830  -9.168  90.240
  535    H    LYS  13           HN       LYS  13  67.937  -9.951  91.465
  536    HA   LYS  13           HA       LYS  13  70.242 -10.756  89.815
  537    HB2  LYS  13           HB2      LYS  13  70.290 -10.784  92.837
  538    HB3  LYS  13           HB1      LYS  13  71.403 -11.716  91.846
  539    HG2  LYS  13           HG2      LYS  13  72.744  -9.887  91.917
  540    HG3  LYS  13           HG1      LYS  13  71.656  -9.200  90.724
  541    HD2  LYS  13           HD2      LYS  13  70.270  -8.493  92.911
  542    HD3  LYS  13           HD1      LYS  13  71.856  -8.639  93.670
  543    HE2  LYS  13           HE2      LYS  13  71.740  -6.381  92.966
  544    HE3  LYS  13           HE1      LYS  13  72.704  -7.177  91.717
  545    HZ1  LYS  13           HZ1      LYS  13  71.071  -6.973  90.202
  546    HZ2  LYS  13           HZ2      LYS  13  70.554  -5.698  91.194
  547    HZ3  LYS  13           HZ3      LYS  13  69.838  -7.229  91.329
  548    H    GLY  14           HN       GLY  14  70.119 -12.718  89.129
  549    HA2  GLY  14           HA2      GLY  14  69.582 -15.081  90.418
  550    HA3  GLY  14           HA1      GLY  14  68.035 -14.581  89.776
  551    H    GLU  15           HN       GLU  15  68.017 -16.341  88.085
  552    HA   GLU  15           HA       GLU  15  69.976 -15.729  85.910
  553    HB2  GLU  15           HB2      GLU  15  68.805 -18.482  86.180
  554    HB3  GLU  15           HB1      GLU  15  70.208 -17.954  85.273
  555    HG2  GLU  15           HG2      GLU  15  70.114 -17.757  88.273
  556    HG3  GLU  15           HG1      GLU  15  70.624 -19.224  87.452
  557    H    THR  16           HN       THR  16  69.262 -16.365  83.722
  558    HA   THR  16           HA       THR  16  66.359 -16.513  83.308
  559    HB   THR  16           HB       THR  16  67.261 -14.583  81.431
  560    HG1  THR  16           HG1      THR  16  68.189 -14.207  84.059
  561   HG21  THR  16          HG21      THR  16  65.572 -14.316  83.915
  562   HG22  THR  16          HG22      THR  16  65.003 -14.725  82.295
  563   HG23  THR  16          HG23      THR  16  65.665 -13.122  82.620
  564    H    THR  17           HN       THR  17  65.817 -17.625  81.430
  565    HA   THR  17           HA       THR  17  67.950 -18.115  79.474
  566    HB   THR  17           HB       THR  17  66.480 -20.521  80.512
  567    HG1  THR  17           HG1      THR  17  69.003 -20.042  81.497
  568   HG21  THR  17          HG21      THR  17  69.309 -20.287  79.484
  569   HG22  THR  17          HG22      THR  17  67.948 -20.437  78.378
  570   HG23  THR  17          HG23      THR  17  68.278 -21.712  79.538
  571    H    THR  18           HN       THR  18  67.269 -19.092  77.516
  572    HA   THR  18           HA       THR  18  64.454 -19.377  76.957
  573    HB   THR  18           HB       THR  18  64.973 -16.885  76.790
  574    HG1  THR  18           HG1      THR  18  63.500 -18.436  75.376
  575   HG21  THR  18          HG21      THR  18  66.279 -17.554  74.171
  576   HG22  THR  18          HG22      THR  18  67.263 -17.500  75.633
  577   HG23  THR  18          HG23      THR  18  66.372 -16.068  75.113
  578    H    GLU  19           HN       GLU  19  64.098 -20.358  74.900
  579    HA   GLU  19           HA       GLU  19  66.455 -21.802  73.836
  580    HB2  GLU  19           HB2      GLU  19  64.468 -23.088  74.721
  581    HB3  GLU  19           HB1      GLU  19  63.501 -22.357  73.446
  582    HG2  GLU  19           HG2      GLU  19  64.105 -24.296  72.339
  583    HG3  GLU  19           HG1      GLU  19  65.499 -23.314  71.904
  584    H    ALA  20           HN       ALA  20  67.293 -20.890  72.042
  585    HA   ALA  20           HA       ALA  20  65.494 -20.041  69.876
  586    HB1  ALA  20           HB1      ALA  20  67.734 -18.233  70.786
  587    HB2  ALA  20           HB2      ALA  20  66.083 -18.057  71.382
  588    HB3  ALA  20           HB3      ALA  20  66.422 -17.877  69.664
  589    H    VAL  21           HN       VAL  21  66.590 -19.735  67.839
  590    HA   VAL  21           HA       VAL  21  68.595 -21.716  67.362
  591    HB   VAL  21           HB       VAL  21  67.160 -21.413  65.533
  592   HG11  VAL  21          HG11      VAL  21  66.688 -19.081  64.627
  593   HG12  VAL  21          HG12      VAL  21  67.443 -18.450  66.084
  594   HG13  VAL  21          HG13      VAL  21  65.991 -19.439  66.203
  595   HG21  VAL  21          HG21      VAL  21  69.328 -19.457  64.733
  596   HG22  VAL  21          HG22      VAL  21  68.523 -20.672  63.739
  597   HG23  VAL  21          HG23      VAL  21  69.681 -21.170  64.973
  598    H    ASP  22           HN       ASP  22  68.472 -18.184  67.473
  599    HA   ASP  22           HA       ASP  22  71.449 -18.132  67.436
  600    HB2  ASP  22           HB2      ASP  22  69.464 -16.076  66.471
  601    HB3  ASP  22           HB1      ASP  22  71.199 -15.800  66.603
  602    H    ALA  23           HN       ALA  23  72.498 -16.564  68.673
  603    HA   ALA  23           HA       ALA  23  71.346 -16.204  71.280
  604    HB1  ALA  23           HB1      ALA  23  73.828 -14.716  70.635
  605    HB2  ALA  23           HB2      ALA  23  73.905 -16.447  70.325
  606    HB3  ALA  23           HB3      ALA  23  73.503 -15.865  71.936
  607    H    ALA  24           HN       ALA  24  72.249 -14.080  68.585
  608    HA   ALA  24           HA       ALA  24  71.573 -11.624  69.775
  609    HB1  ALA  24           HB1      ALA  24  72.821 -11.680  67.686
  610    HB2  ALA  24           HB2      ALA  24  71.317 -10.795  67.425
  611    HB3  ALA  24           HB3      ALA  24  71.471 -12.459  66.859
  612    H    THR  25           HN       THR  25  69.425 -14.022  68.006
  613    HA   THR  25           HA       THR  25  67.135 -12.331  68.003
  614    HB   THR  25           HB       THR  25  67.656 -14.600  66.692
  615    HG1  THR  25           HG1      THR  25  65.068 -14.679  66.996
  616   HG21  THR  25          HG21      THR  25  67.448 -15.890  68.966
  617   HG22  THR  25          HG22      THR  25  66.666 -16.560  67.540
  618   HG23  THR  25          HG23      THR  25  65.715 -15.680  68.736
  619    H    ALA  26           HN       ALA  26  68.438 -14.669  70.310
  620    HA   ALA  26           HA       ALA  26  66.191 -14.687  72.067
  621    HB1  ALA  26           HB1      ALA  26  68.130 -15.507  73.697
  622    HB2  ALA  26           HB2      ALA  26  69.032 -15.629  72.190
  623    HB3  ALA  26           HB3      ALA  26  67.542 -16.545  72.402
  624    H    GLU  27           HN       GLU  27  69.092 -12.776  71.794
  625    HA   GLU  27           HA       GLU  27  69.100 -11.454  74.251
  626    HB2  GLU  27           HB2      GLU  27  70.907 -10.403  73.341
  627    HB3  GLU  27           HB1      GLU  27  70.611 -11.370  71.901
  628    HG2  GLU  27           HG2      GLU  27  69.070  -9.541  71.082
  629    HG3  GLU  27           HG1      GLU  27  69.586  -8.569  72.454
  630    H    LYS  28           HN       LYS  28  67.129 -10.954  71.415
  631    HA   LYS  28           HA       LYS  28  66.287  -8.327  71.833
  632    HB2  LYS  28           HB2      LYS  28  64.625 -10.651  70.812
  633    HB3  LYS  28           HB1      LYS  28  64.247  -8.943  70.595
  634    HG2  LYS  28           HG2      LYS  28  66.568  -8.756  69.486
  635    HG3  LYS  28           HG1      LYS  28  66.536 -10.517  69.410
  636    HD2  LYS  28           HD2      LYS  28  64.545  -8.600  68.148
  637    HD3  LYS  28           HD1      LYS  28  65.656  -9.684  67.308
  638    HE2  LYS  28           HE2      LYS  28  64.450 -11.602  68.586
  639    HE3  LYS  28           HE1      LYS  28  63.201 -10.416  68.935
  640    HZ1  LYS  28           HZ1      LYS  28  63.968 -10.655  66.067
  641    HZ2  LYS  28           HZ2      LYS  28  62.424 -10.446  66.742
  642    HZ3  LYS  28           HZ3      LYS  28  63.134 -11.988  66.712
  643    H    VAL  29           HN       VAL  29  65.056 -11.355  73.187
  644    HA   VAL  29           HA       VAL  29  62.969 -10.118  74.693
  645    HB   VAL  29           HB       VAL  29  64.303 -12.766  75.271
  646   HG11  VAL  29          HG11      VAL  29  62.722 -11.912  76.970
  647   HG12  VAL  29          HG12      VAL  29  62.069 -13.329  76.148
  648   HG13  VAL  29          HG13      VAL  29  61.491 -11.719  75.721
  649   HG21  VAL  29          HG21      VAL  29  62.100 -12.080  73.298
  650   HG22  VAL  29          HG22      VAL  29  62.563 -13.719  73.757
  651   HG23  VAL  29          HG23      VAL  29  63.707 -12.688  72.897
  652    H    PHE  30           HN       PHE  30  66.166 -11.416  75.597
  653    HA   PHE  30           HA       PHE  30  66.106 -10.737  78.307
  654    HB2  PHE  30           HB2      PHE  30  68.454 -11.031  76.452
  655    HB3  PHE  30           HB1      PHE  30  68.580 -10.912  78.194
  656    HD1  PHE  30           HD1      PHE  30  66.486 -12.645  79.280
  657    HD2  PHE  30           HD2      PHE  30  68.930 -13.205  75.777
  658    HE1  PHE  30           HE1      PHE  30  66.169 -15.085  79.438
  659    HE2  PHE  30           HE2      PHE  30  68.616 -15.645  75.964
  660    HZ   PHE  30           HZ       PHE  30  67.234 -16.588  77.787
  661    H    LYS  31           HN       LYS  31  67.460  -8.853  75.566
  662    HA   LYS  31           HA       LYS  31  68.430  -6.789  77.281
  663    HB2  LYS  31           HB2      LYS  31  68.035  -7.062  74.318
  664    HB3  LYS  31           HB1      LYS  31  68.267  -5.444  74.974
  665    HG2  LYS  31           HG2      LYS  31  70.347  -6.341  76.148
  666    HG3  LYS  31           HG1      LYS  31  70.156  -7.804  75.181
  667    HD2  LYS  31           HD2      LYS  31  70.323  -6.502  73.127
  668    HD3  LYS  31           HD1      LYS  31  70.386  -5.006  74.048
  669    HE2  LYS  31           HE2      LYS  31  72.505  -5.590  75.008
  670    HE3  LYS  31           HE1      LYS  31  72.408  -7.231  74.362
  671    HZ1  LYS  31           HZ1      LYS  31  72.066  -5.653  72.180
  672    HZ2  LYS  31           HZ2      LYS  31  73.510  -6.427  72.624
  673    HZ3  LYS  31           HZ3      LYS  31  73.237  -4.812  73.073
  674    H    GLN  32           HN       GLN  32  65.463  -7.147  75.369
  675    HA   GLN  32           HA       GLN  32  64.380  -4.618  76.104
  676    HB2  GLN  32           HB2      GLN  32  63.673  -5.986  74.136
  677    HB3  GLN  32           HB1      GLN  32  62.923  -7.126  75.255
  678    HG2  GLN  32           HG2      GLN  32  61.516  -5.292  76.154
  679    HG3  GLN  32           HG1      GLN  32  62.237  -4.185  74.987
  680   HE21  GLN  32          HE21      GLN  32  60.929  -3.883  73.138
  681   HE22  GLN  32          HE22      GLN  32  59.912  -5.071  72.479
  682    H    TYR  33           HN       TYR  33  64.326  -7.835  77.468
  683    HA   TYR  33           HA       TYR  33  62.268  -7.468  79.361
  684    HB2  TYR  33           HB2      TYR  33  62.871  -9.681  78.823
  685    HB3  TYR  33           HB1      TYR  33  64.582  -9.336  79.036
  686    HD1  TYR  33           HD2      TYR  33  61.381  -9.848  80.814
  687    HD2  TYR  33           HD1      TYR  33  65.636  -9.374  81.161
  688    HE1  TYR  33           HE2      TYR  33  61.271 -10.548  83.195
  689    HE2  TYR  33           HE1      TYR  33  65.524 -10.070  83.529
  690    HH   TYR  33           HH       TYR  33  63.602  -9.989  85.377
  691    H    ALA  34           HN       ALA  34  65.785  -7.014  79.483
  692    HA   ALA  34           HA       ALA  34  66.039  -6.574  82.240
  693    HB1  ALA  34           HB1      ALA  34  67.831  -4.989  80.493
  694    HB2  ALA  34           HB2      ALA  34  67.760  -6.712  80.122
  695    HB3  ALA  34           HB3      ALA  34  68.234  -6.180  81.733
  696    H    ASN  35           HN       ASN  35  65.127  -4.290  79.597
  697    HA   ASN  35           HA       ASN  35  65.271  -1.997  81.277
  698    HB2  ASN  35           HB2      ASN  35  65.199  -2.264  78.638
  699    HB3  ASN  35           HB1      ASN  35  63.460  -2.131  78.886
  700   HD21  ASN  35          HD21      ASN  35  62.680   0.063  78.927
  701   HD22  ASN  35          HD22      ASN  35  63.648   1.406  79.304
  702    H    ASP  36           HN       ASP  36  62.690  -4.191  80.206
  703    HA   ASP  36           HA       ASP  36  60.556  -2.870  81.510
  704    HB2  ASP  36           HB2      ASP  36  60.570  -5.812  80.899
  705    HB3  ASP  36           HB1      ASP  36  59.235  -4.663  80.801
  706    H    ASN  37           HN       ASN  37  62.931  -5.198  82.727
  707    HA   ASN  37           HA       ASN  37  61.250  -5.781  85.043
  708    HB2  ASN  37           HB2      ASN  37  62.855  -7.430  85.596
  709    HB3  ASN  37           HB1      ASN  37  62.600  -7.513  83.859
  710   HD21  ASN  37          HD21      ASN  37  64.951  -8.628  84.463
  711   HD22  ASN  37          HD22      ASN  37  66.257  -7.575  84.210
  712    H    GLY  38           HN       GLY  38  63.971  -3.634  84.294
  713    HA2  GLY  38           HA2      GLY  38  64.000  -1.707  85.893
  714    HA3  GLY  38           HA1      GLY  38  64.071  -2.893  87.179
  715    H    VAL  39           HN       VAL  39  66.059  -4.339  85.069
  716    HA   VAL  39           HA       VAL  39  68.436  -2.822  86.031
  717    HB   VAL  39           HB       VAL  39  68.469  -4.924  87.099
  718   HG11  VAL  39          HG11      VAL  39  66.724  -5.935  85.592
  719   HG12  VAL  39          HG12      VAL  39  68.022  -7.023  86.036
  720   HG13  VAL  39          HG13      VAL  39  67.999  -6.276  84.441
  721   HG21  VAL  39          HG21      VAL  39  70.127  -5.376  84.608
  722   HG22  VAL  39          HG22      VAL  39  70.426  -6.021  86.217
  723   HG23  VAL  39          HG23      VAL  39  70.604  -4.298  85.911
  724    H    ASP  40           HN       ASP  40  69.225  -1.627  84.460
  725    HA   ASP  40           HA       ASP  40  69.719  -2.883  81.814
  726    HB2  ASP  40           HB2      ASP  40  67.859  -1.061  81.933
  727    HB3  ASP  40           HB1      ASP  40  69.191   0.071  82.143
  728    H    GLY  41           HN       GLY  41  71.961  -3.201  81.777
  729    HA2  GLY  41           HA2      GLY  41  73.631  -0.856  82.465
  730    HA3  GLY  41           HA1      GLY  41  73.959  -2.385  83.260
  731    H    GLU  42           HN       GLU  42  76.133  -2.398  82.316
  732    HA   GLU  42           HA       GLU  42  76.435  -2.354  79.495
  733    HB2  GLU  42           HB2      GLU  42  78.510  -3.520  81.322
  734    HB3  GLU  42           HB1      GLU  42  78.716  -2.521  79.887
  735    HG2  GLU  42           HG2      GLU  42  77.731  -1.618  82.606
  736    HG3  GLU  42           HG1      GLU  42  79.243  -1.170  81.821
  737    H    TRP  43           HN       TRP  43  76.555  -4.013  78.123
  738    HA   TRP  43           HA       TRP  43  75.744  -6.655  79.132
  739    HB2  TRP  43           HB2      TRP  43  75.491  -5.300  76.450
  740    HB3  TRP  43           HB1      TRP  43  75.103  -7.001  76.718
  741    HD1  TRP  43           HD1      TRP  43  73.910  -3.469  77.682
  742    HE1  TRP  43           HE1      TRP  43  71.544  -3.664  78.684
  743    HE3  TRP  43           HE3      TRP  43  73.453  -8.532  77.840
  744    HZ2  TRP  43           HZ2      TRP  43  69.707  -5.694  79.402
  745    HZ3  TRP  43           HZ3      TRP  43  71.378  -9.571  78.675
  746    HH2  TRP  43           HH2      TRP  43  69.496  -8.165  79.461
  747    H    THR  44           HN       THR  44  76.433  -8.461  78.040
  748    HA   THR  44           HA       THR  44  78.875  -8.482  76.503
  749    HB   THR  44           HB       THR  44  79.861  -8.346  78.719
  750    HG1  THR  44           HG1      THR  44  79.802 -10.786  77.382
  751   HG21  THR  44          HG21      THR  44  77.736 -10.380  79.398
  752   HG22  THR  44          HG22      THR  44  78.150  -8.882  80.232
  753   HG23  THR  44          HG23      THR  44  79.222 -10.276  80.339
  754    H    TYR  45           HN       TYR  45  79.280 -10.775  75.740
  755    HA   TYR  45           HA       TYR  45  77.170 -12.686  76.335
  756    HB2  TYR  45           HB2      TYR  45  75.987 -11.548  74.644
  757    HB3  TYR  45           HB1      TYR  45  77.427 -11.345  73.653
  758    HD1  TYR  45           HD1      TYR  45  75.750 -14.262  75.354
  759    HD2  TYR  45           HD2      TYR  45  77.398 -12.658  71.726
  760    HE1  TYR  45           HE1      TYR  45  75.260 -16.387  74.183
  761    HE2  TYR  45           HE2      TYR  45  76.910 -14.784  70.560
  762    HH   TYR  45           HH       TYR  45  75.781 -16.732  70.701
  763    H    ASP  46           HN       ASP  46  78.141 -14.544  76.571
  764    HA   ASP  46           HA       ASP  46  80.609 -15.070  75.051
  765    HB2  ASP  46           HB2      ASP  46  80.811 -15.456  77.464
  766    HB3  ASP  46           HB1      ASP  46  79.405 -16.533  77.428
  767    H    ASP  47           HN       ASP  47  80.211 -16.059  73.083
  768    HA   ASP  47           HA       ASP  47  77.781 -17.596  72.677
  769    HB2  ASP  47           HB2      ASP  47  78.907 -15.995  70.985
  770    HB3  ASP  47           HB1      ASP  47  80.033 -17.319  70.695
  771    H    ALA  48           HN       ALA  48  80.840 -18.208  73.840
  772    HA   ALA  48           HA       ALA  48  81.175 -20.867  72.762
  773    HB1  ALA  48           HB1      ALA  48  82.542 -19.787  75.219
  774    HB2  ALA  48           HB2      ALA  48  83.003 -19.241  73.608
  775    HB3  ALA  48           HB3      ALA  48  83.150 -20.945  74.036
  776    H    THR  49           HN       THR  49  79.522 -19.400  75.500
  777    HA   THR  49           HA       THR  49  78.768 -22.090  76.492
  778    HB   THR  49           HB       THR  49  78.533 -20.814  78.783
  779    HG1  THR  49           HG1      THR  49  80.689 -19.335  78.292
  780   HG21  THR  49          HG21      THR  49  80.126 -22.628  78.415
  781   HG22  THR  49          HG22      THR  49  80.880 -21.334  79.347
  782   HG23  THR  49          HG23      THR  49  81.242 -21.511  77.630
  783    H    LYS  50           HN       LYS  50  77.623 -19.712  74.712
  784    HA   LYS  50           HA       LYS  50  75.584 -18.662  74.434
  785    HB2  LYS  50           HB2      LYS  50  74.373 -21.039  75.838
  786    HB3  LYS  50           HB1      LYS  50  73.761 -20.146  74.448
  787    HG2  LYS  50           HG2      LYS  50  76.262 -21.872  74.399
  788    HG3  LYS  50           HG1      LYS  50  74.675 -22.398  73.850
  789    HD2  LYS  50           HD2      LYS  50  74.637 -20.530  72.220
  790    HD3  LYS  50           HD1      LYS  50  76.264 -20.077  72.722
  791    HE2  LYS  50           HE2      LYS  50  77.194 -22.099  71.892
  792    HE3  LYS  50           HE1      LYS  50  75.606 -22.853  71.734
  793    HZ1  LYS  50           HZ1      LYS  50  76.999 -21.204  69.889
  794    HZ2  LYS  50           HZ2      LYS  50  75.478 -20.541  70.253
  795    HZ3  LYS  50           HZ3      LYS  50  75.596 -22.127  69.654
  796    H    THR  51           HN       THR  51  76.816 -17.543  76.618
  797    HA   THR  51           HA       THR  51  74.577 -17.253  78.554
  798    HB   THR  51           HB       THR  51  77.523 -17.481  79.230
  799    HG1  THR  51           HG1      THR  51  76.553 -19.208  80.550
  800   HG21  THR  51          HG21      THR  51  76.575 -17.312  81.624
  801   HG22  THR  51          HG22      THR  51  75.127 -16.639  80.876
  802   HG23  THR  51          HG23      THR  51  76.674 -15.811  80.703
  803    H    PHE  52           HN       PHE  52  73.880 -15.178  78.883
  804    HA   PHE  52           HA       PHE  52  75.580 -12.912  78.031
  805    HB2  PHE  52           HB2      PHE  52  72.606 -13.266  78.410
  806    HB3  PHE  52           HB1      PHE  52  73.358 -11.698  78.123
  807    HD1  PHE  52           HD2      PHE  52  73.093 -15.159  76.707
  808    HD2  PHE  52           HD1      PHE  52  73.760 -10.983  75.939
  809    HE1  PHE  52           HE2      PHE  52  72.998 -15.579  74.262
  810    HE2  PHE  52           HE1      PHE  52  73.653 -11.409  73.505
  811    HZ   PHE  52           HZ       PHE  52  73.273 -13.700  72.667
  812    H    THR  53           HN       THR  53  75.489 -10.963  79.465
  813    HA   THR  53           HA       THR  53  74.330 -11.300  82.104
  814    HB   THR  53           HB       THR  53  76.288 -11.032  83.433
  815    HG1  THR  53           HG1      THR  53  78.301 -10.731  82.527
  816   HG21  THR  53          HG21      THR  53  76.997 -13.092  81.326
  817   HG22  THR  53          HG22      THR  53  75.887 -13.361  82.657
  818   HG23  THR  53          HG23      THR  53  77.579 -13.047  82.987
  819    H    VAL  54           HN       VAL  54  73.530  -9.272  82.792
  820    HA   VAL  54           HA       VAL  54  74.657  -6.874  81.431
  821    HB   VAL  54           HB       VAL  54  72.308  -7.370  80.851
  822   HG11  VAL  54          HG11      VAL  54  71.664  -6.851  83.757
  823   HG12  VAL  54          HG12      VAL  54  71.853  -8.475  83.104
  824   HG13  VAL  54          HG13      VAL  54  70.577  -7.422  82.496
  825   HG21  VAL  54          HG21      VAL  54  71.441  -5.137  81.251
  826   HG22  VAL  54          HG22      VAL  54  73.185  -4.995  81.028
  827   HG23  VAL  54          HG23      VAL  54  72.497  -4.925  82.649
  828    H    THR  55           HN       THR  55  75.734  -5.465  82.714
  829    HA   THR  55           HA       THR  55  75.181  -5.462  85.631
  830    HB   THR  55           HB       THR  55  77.392  -6.552  84.760
  831    HG1  THR  55           HG1      THR  55  76.706  -5.179  86.918
  832   HG21  THR  55          HG21      THR  55  78.302  -3.666  84.825
  833   HG22  THR  55          HG22      THR  55  77.903  -4.491  83.321
  834   HG23  THR  55          HG23      THR  55  79.221  -5.087  84.326
  835    H    GLU  56           HN       GLU  56  74.444  -3.538  86.390
  836    HA   GLU  56           HA       GLU  56  75.115  -1.075  84.879
  837    HB2  GLU  56           HB2      GLU  56  73.106  -0.234  86.414
  838    HB3  GLU  56           HB1      GLU  56  72.799  -1.112  84.917
  839    HG2  GLU  56           HG2      GLU  56  72.606  -3.212  86.149
  840    HG3  GLU  56           HG1      GLU  56  72.970  -2.382  87.661
  841    H1   MET   1           HT1      MET   1  42.167 -35.253  77.978
  842    H2   MET   1           HT2      MET   1  41.700 -33.620  77.924
  843    H3   MET   1           HT3      MET   1  40.662 -34.783  78.602
  844    HA   MET   1           HA       MET   1  42.133 -35.175  80.405
  845    HB2  MET   1           HB2      MET   1  44.365 -34.716  80.251
  846    HB3  MET   1           HB1      MET   1  44.057 -34.275  78.584
  847    HG2  MET   1           HG2      MET   1  43.493 -31.907  79.566
  848    HG3  MET   1           HG1      MET   1  44.358 -32.486  80.987
  849    HE1  MET   1           HE1      MET   1  45.015 -33.023  76.976
  850    HE2  MET   1           HE2      MET   1  45.856 -31.493  76.840
  851    HE3  MET   1           HE3      MET   1  44.210 -31.529  77.461
  852    H    GLN   2           HN       GLN   2  42.794 -33.066  82.066
  853    HA   GLN   2           HA       GLN   2  40.403 -31.307  81.902
  854    HB2  GLN   2           HB2      GLN   2  41.693 -32.697  84.253
  855    HB3  GLN   2           HB1      GLN   2  40.588 -31.340  84.459
  856    HG2  GLN   2           HG2      GLN   2  38.777 -32.530  83.467
  857    HG3  GLN   2           HG1      GLN   2  39.846 -33.780  82.836
  858   HE21  GLN   2          HE21      GLN   2  37.912 -32.889  85.673
  859   HE22  GLN   2          HE22      GLN   2  38.409 -34.181  86.656
  860    H    TYR   3           HN       TYR   3  40.591 -29.206  82.360
  861    HA   TYR   3           HA       TYR   3  43.268 -28.104  83.002
  862    HB2  TYR   3           HB2      TYR   3  41.061 -26.999  81.257
  863    HB3  TYR   3           HB1      TYR   3  42.497 -26.097  81.749
  864    HD1  TYR   3           HD1      TYR   3  44.788 -27.264  81.340
  865    HD2  TYR   3           HD2      TYR   3  41.151 -28.299  79.303
  866    HE1  TYR   3           HE1      TYR   3  46.092 -28.263  79.495
  867    HE2  TYR   3           HE2      TYR   3  42.478 -29.305  77.461
  868    HH   TYR   3           HH       TYR   3  46.014 -29.077  77.427
  869    H    LYS   4           HN       LYS   4  43.309 -26.707  84.686
  870    HA   LYS   4           HA       LYS   4  40.696 -26.102  85.993
  871    HB2  LYS   4           HB2      LYS   4  42.215 -27.761  87.149
  872    HB3  LYS   4           HB1      LYS   4  43.367 -26.447  87.361
  873    HG2  LYS   4           HG2      LYS   4  41.732 -25.172  88.657
  874    HG3  LYS   4           HG1      LYS   4  40.506 -26.412  88.380
  875    HD2  LYS   4           HD2      LYS   4  41.733 -28.042  89.654
  876    HD3  LYS   4           HD1      LYS   4  43.156 -27.005  89.727
  877    HE2  LYS   4           HE2      LYS   4  42.162 -26.733  91.848
  878    HE3  LYS   4           HE1      LYS   4  41.609 -25.320  90.954
  879    HZ1  LYS   4           HZ1      LYS   4  40.107 -27.838  91.402
  880    HZ2  LYS   4           HZ2      LYS   4  39.579 -26.573  90.399
  881    HZ3  LYS   4           HZ3      LYS   4  39.761 -26.318  92.070
  882    H    LEU   5           HN       LEU   5  40.205 -23.996  86.247
  883    HA   LEU   5           HA       LEU   5  42.397 -22.011  86.028
  884    HB2  LEU   5           HB2      LEU   5  40.789 -21.788  84.230
  885    HB3  LEU   5           HB1      LEU   5  39.459 -21.808  85.355
  886    HG   LEU   5           HG       LEU   5  40.260 -19.543  84.293
  887   HD11  LEU   5          HD11      LEU   5  38.467 -19.693  85.912
  888   HD12  LEU   5          HD12      LEU   5  39.480 -18.292  86.237
  889   HD13  LEU   5          HD13      LEU   5  39.625 -19.729  87.236
  890   HD21  LEU   5          HD21      LEU   5  41.955 -18.330  85.306
  891   HD22  LEU   5          HD22      LEU   5  42.662 -19.926  85.214
  892   HD23  LEU   5          HD23      LEU   5  41.992 -19.352  86.725
  893    H    ILE   6           HN       ILE   6  42.852 -20.809  87.771
  894    HA   ILE   6           HA       ILE   6  41.132 -21.062  90.158
  895    HB   ILE   6           HB       ILE   6  43.860 -19.774  89.942
  896   HG12  ILE   6          HG12      ILE   6  43.979 -22.122  89.191
  897   HG13  ILE   6          HG11      ILE   6  44.789 -21.908  90.739
  898   HG21  ILE   6          HG21      ILE   6  43.880 -20.188  92.382
  899   HG22  ILE   6          HG22      ILE   6  42.249 -20.847  92.268
  900   HG23  ILE   6          HG23      ILE   6  42.541 -19.149  91.894
  901   HD11  ILE   6          HD11      ILE   6  42.604 -22.687  91.810
  902   HD12  ILE   6          HD12      ILE   6  43.509 -23.902  90.921
  903   HD13  ILE   6          HD13      ILE   6  42.093 -23.155  90.190
  904    H    LEU   7           HN       LEU   7  39.986 -19.425  90.875
  905    HA   LEU   7           HA       LEU   7  40.022 -16.926  89.352
  906    HB2  LEU   7           HB2      LEU   7  38.136 -18.138  91.367
  907    HB3  LEU   7           HB1      LEU   7  38.030 -16.435  90.946
  908    HG   LEU   7           HG       LEU   7  38.058 -17.474  88.437
  909   HD11  LEU   7          HD11      LEU   7  38.211 -19.805  89.225
  910   HD12  LEU   7          HD12      LEU   7  36.680 -19.517  88.399
  911   HD13  LEU   7          HD13      LEU   7  36.731 -19.586  90.160
  912   HD21  LEU   7          HD21      LEU   7  35.634 -17.354  90.250
  913   HD22  LEU   7          HD22      LEU   7  35.603 -17.307  88.490
  914   HD23  LEU   7          HD23      LEU   7  36.339 -15.984  89.393
  915    H    ASN   8           HN       ASN   8  41.362 -15.433  89.971
  916    HA   ASN   8           HA       ASN   8  41.518 -14.709  92.817
  917    HB2  ASN   8           HB2      ASN   8  43.981 -14.093  92.159
  918    HB3  ASN   8           HB1      ASN   8  43.592 -15.755  92.597
  919   HD21  ASN   8          HD21      ASN   8  45.375 -14.117  90.387
  920   HD22  ASN   8          HD22      ASN   8  45.237 -15.162  89.056
  921    H    GLY   9           HN       GLY   9  39.979 -13.103  92.259
  922    HA2  GLY   9           HA2      GLY   9  41.028 -10.921  90.535
  923    HA3  GLY   9           HA1      GLY   9  39.325 -11.354  90.605
  924    H    LYS  10           HN       LYS  10  38.857  -9.181  91.209
  925    HA   LYS  10           HA       LYS  10  39.956  -8.060  93.586
  926    HB2  LYS  10           HB2      LYS  10  37.312  -7.203  92.406
  927    HB3  LYS  10           HB1      LYS  10  38.522  -6.223  93.237
  928    HG2  LYS  10           HG2      LYS  10  40.083  -6.958  91.240
  929    HG3  LYS  10           HG1      LYS  10  38.560  -7.298  90.421
  930    HD2  LYS  10           HD2      LYS  10  37.825  -4.958  90.940
  931    HD3  LYS  10           HD1      LYS  10  39.433  -4.644  91.593
  932    HE2  LYS  10           HE2      LYS  10  40.429  -5.238  89.405
  933    HE3  LYS  10           HE1      LYS  10  38.813  -5.513  88.754
  934    HZ1  LYS  10           HZ1      LYS  10  40.067  -3.185  88.591
  935    HZ2  LYS  10           HZ2      LYS  10  39.254  -2.956  90.064
  936    HZ3  LYS  10           HZ3      LYS  10  38.378  -3.320  88.655
  937    H    THR  11           HN       THR  11  36.719  -9.585  92.948
  938    HA   THR  11           HA       THR  11  36.662 -10.331  95.812
  939    HB   THR  11           HB       THR  11  34.151  -9.938  95.687
  940    HG1  THR  11           HG1      THR  11  34.737  -8.127  93.645
  941   HG21  THR  11          HG21      THR  11  36.138  -7.674  95.461
  942   HG22  THR  11          HG22      THR  11  35.576  -8.462  96.934
  943   HG23  THR  11          HG23      THR  11  34.471  -7.461  95.994
  944    H    LEU  12           HN       LEU  12  36.430 -11.307  92.573
  945    HA   LEU  12           HA       LEU  12  34.729 -13.592  93.119
  946    HB2  LEU  12           HB2      LEU  12  35.340 -12.062  90.841
  947    HB3  LEU  12           HB1      LEU  12  36.128 -13.605  90.530
  948    HG   LEU  12           HG       LEU  12  33.212 -13.135  91.192
  949   HD11  LEU  12          HD11      LEU  12  32.803 -14.021  88.985
  950   HD12  LEU  12          HD12      LEU  12  34.505 -14.417  88.772
  951   HD13  LEU  12          HD13      LEU  12  33.990 -12.729  88.836
  952   HD21  LEU  12          HD21      LEU  12  33.460 -15.822  90.561
  953   HD22  LEU  12          HD22      LEU  12  33.323 -15.177  92.189
  954   HD23  LEU  12          HD23      LEU  12  34.911 -15.537  91.522
  955    H    LYS  13           HN       LYS  13  35.609 -15.258  94.217
  956    HA   LYS  13           HA       LYS  13  38.199 -16.308  93.274
  957    HB2  LYS  13           HB2      LYS  13  37.492 -15.673  96.147
  958    HB3  LYS  13           HB1      LYS  13  38.751 -16.823  95.720
  959    HG2  LYS  13           HG2      LYS  13  40.144 -15.005  95.736
  960    HG3  LYS  13           HG1      LYS  13  39.475 -14.667  94.147
  961    HD2  LYS  13           HD2      LYS  13  37.587 -13.432  95.615
  962    HD3  LYS  13           HD1      LYS  13  38.909 -13.335  96.778
  963    HE2  LYS  13           HE2      LYS  13  39.118 -11.354  95.509
  964    HE3  LYS  13           HE1      LYS  13  40.311 -12.437  94.789
  965    HZ1  LYS  13           HZ1      LYS  13  39.125 -12.631  92.903
  966    HZ2  LYS  13           HZ2      LYS  13  38.445 -11.154  93.387
  967    HZ3  LYS  13           HZ3      LYS  13  37.631 -12.611  93.698
  968    H    GLY  14           HN       GLY  14  38.334 -18.429  93.139
  969    HA2  GLY  14           HA2      GLY  14  37.073 -20.395  94.618
  970    HA3  GLY  14           HA1      GLY  14  35.984 -20.028  93.278
  971    H    GLU  15           HN       GLU  15  36.380 -22.180  92.359
  972    HA   GLU  15           HA       GLU  15  38.962 -22.348  90.907
  973    HB2  GLU  15           HB2      GLU  15  37.384 -24.748  91.850
  974    HB3  GLU  15           HB1      GLU  15  38.982 -24.724  91.106
  975    HG2  GLU  15           HG2      GLU  15  38.371 -23.371  93.724
  976    HG3  GLU  15           HG1      GLU  15  38.938 -25.032  93.610
  977    H    THR  16           HN       THR  16  38.779 -23.538  88.856
  978    HA   THR  16           HA       THR  16  36.063 -23.960  87.848
  979    HB   THR  16           HB       THR  16  37.382 -22.513  85.775
  980    HG1  THR  16           HG1      THR  16  37.601 -21.373  88.346
  981   HG21  THR  16          HG21      THR  16  35.155 -21.713  87.650
  982   HG22  THR  16          HG22      THR  16  34.977 -22.573  86.120
  983   HG23  THR  16          HG23      THR  16  35.547 -20.905  86.133
  984    H    THR  17           HN       THR  17  35.973 -25.518  86.263
  985    HA   THR  17           HA       THR  17  38.492 -26.376  85.050
  986    HB   THR  17           HB       THR  17  36.808 -28.513  86.317
  987    HG1  THR  17           HG1      THR  17  39.016 -27.633  87.705
  988   HG21  THR  17          HG21      THR  17  39.801 -28.379  85.970
  989   HG22  THR  17          HG22      THR  17  38.755 -28.874  84.643
  990   HG23  THR  17          HG23      THR  17  38.779 -29.801  86.133
  991    H    THR  18           HN       THR  18  38.276 -27.848  83.324
  992    HA   THR  18           HA       THR  18  35.666 -28.412  82.233
  993    HB   THR  18           HB       THR  18  36.229 -26.024  81.540
  994    HG1  THR  18           HG1      THR  18  35.089 -27.924  80.300
  995   HG21  THR  18          HG21      THR  18  38.118 -27.264  79.564
  996   HG22  THR  18          HG22      THR  18  38.726 -26.788  81.149
  997   HG23  THR  18          HG23      THR  18  37.995 -25.585  80.085
  998    H    GLU  19           HN       GLU  19  35.798 -29.910  80.486
  999    HA   GLU  19           HA       GLU  19  38.324 -31.454  80.430
 1000    HB2  GLU  19           HB2      GLU  19  36.174 -32.569  81.134
 1001    HB3  GLU  19           HB1      GLU  19  35.538 -32.241  79.526
 1002    HG2  GLU  19           HG2      GLU  19  36.356 -34.373  79.149
 1003    HG3  GLU  19           HG1      GLU  19  37.816 -33.464  78.775
 1004    H    ALA  20           HN       ALA  20  39.582 -30.961  78.727
 1005    HA   ALA  20           HA       ALA  20  38.395 -30.856  76.042
 1006    HB1  ALA  20           HB1      ALA  20  40.321 -28.705  76.911
 1007    HB2  ALA  20           HB2      ALA  20  38.577 -28.498  77.037
 1008    HB3  ALA  20           HB3      ALA  20  39.321 -28.766  75.465
 1009    H    VAL  21           HN       VAL  21  39.971 -31.026  74.339
 1010    HA   VAL  21           HA       VAL  21  42.020 -32.930  74.925
 1011    HB   VAL  21           HB       VAL  21  41.065 -33.239  72.807
 1012   HG11  VAL  21          HG11      VAL  21  40.816 -31.271  71.199
 1013   HG12  VAL  21          HG12      VAL  21  41.183 -30.225  72.564
 1014   HG13  VAL  21          HG13      VAL  21  39.755 -31.254  72.603
 1015   HG21  VAL  21          HG21      VAL  21  43.350 -31.424  72.000
 1016   HG22  VAL  21          HG22      VAL  21  42.806 -32.914  71.228
 1017   HG23  VAL  21          HG23      VAL  21  43.644 -32.980  72.778
 1018    H    ASP  22           HN       ASP  22  41.859 -29.531  74.017
 1019    HA   ASP  22           HA       ASP  22  44.755 -29.269  74.643
 1020    HB2  ASP  22           HB2      ASP  22  43.044 -27.694  72.721
 1021    HB3  ASP  22           HB1      ASP  22  44.699 -27.276  73.161
 1022    H    ALA  23           HN       ALA  23  45.450 -27.388  75.638
 1023    HA   ALA  23           HA       ALA  23  43.661 -26.427  77.668
 1024    HB1  ALA  23           HB1      ALA  23  46.231 -25.008  77.332
 1025    HB2  ALA  23           HB2      ALA  23  46.381 -26.757  77.461
 1026    HB3  ALA  23           HB3      ALA  23  45.571 -25.852  78.737
 1027    H    ALA  24           HN       ALA  24  45.255 -25.042  74.819
 1028    HA   ALA  24           HA       ALA  24  44.345 -22.398  75.102
 1029    HB1  ALA  24           HB1      ALA  24  46.066 -22.962  73.462
 1030    HB2  ALA  24           HB2      ALA  24  44.694 -22.228  72.633
 1031    HB3  ALA  24           HB3      ALA  24  44.927 -23.975  72.574
 1032    H    THR  25           HN       THR  25  42.659 -25.302  73.630
 1033    HA   THR  25           HA       THR  25  40.457 -23.800  72.617
 1034    HB   THR  25           HB       THR  25  41.260 -26.298  72.120
 1035    HG1  THR  25           HG1      THR  25  38.679 -26.451  71.817
 1036   HG21  THR  25          HG21      THR  25  40.481 -26.948  74.553
 1037   HG22  THR  25          HG22      THR  25  40.111 -28.027  73.215
 1038   HG23  THR  25          HG23      THR  25  38.871 -26.942  73.843
 1039    H    ALA  26           HN       ALA  26  41.150 -25.373  75.704
 1040    HA   ALA  26           HA       ALA  26  38.549 -25.037  76.831
 1041    HB1  ALA  26           HB1      ALA  26  40.044 -25.316  79.021
 1042    HB2  ALA  26           HB2      ALA  26  41.261 -25.798  77.845
 1043    HB3  ALA  26           HB3      ALA  26  39.740 -26.682  77.951
 1044    H    GLU  27           HN       GLU  27  41.471 -23.137  76.755
 1045    HA   GLU  27           HA       GLU  27  40.921 -21.223  78.711
 1046    HB2  GLU  27           HB2      GLU  27  42.913 -20.360  78.010
 1047    HB3  GLU  27           HB1      GLU  27  42.954 -21.685  76.853
 1048    HG2  GLU  27           HG2      GLU  27  41.690 -20.210  75.234
 1049    HG3  GLU  27           HG1      GLU  27  41.882 -18.887  76.377
 1050    H    LYS  28           HN       LYS  28  39.687 -21.556  75.467
 1051    HA   LYS  28           HA       LYS  28  38.837 -18.948  74.969
 1052    HB2  LYS  28           HB2      LYS  28  37.407 -21.523  74.240
 1053    HB3  LYS  28           HB1      LYS  28  37.125 -19.948  73.501
 1054    HG2  LYS  28           HG2      LYS  28  39.645 -19.954  72.948
 1055    HG3  LYS  28           HG1      LYS  28  39.598 -21.674  73.335
 1056    HD2  LYS  28           HD2      LYS  28  37.990 -20.244  71.190
 1057    HD3  LYS  28           HD1      LYS  28  39.253 -21.450  70.942
 1058    HE2  LYS  28           HE2      LYS  28  37.759 -23.035  72.363
 1059    HE3  LYS  28           HE1      LYS  28  36.476 -21.863  72.096
 1060    HZ1  LYS  28           HZ1      LYS  28  37.892 -22.793  69.644
 1061    HZ2  LYS  28           HZ2      LYS  28  36.236 -22.489  69.866
 1062    HZ3  LYS  28           HZ3      LYS  28  36.909 -23.952  70.404
 1063    H    VAL  29           HN       VAL  29  37.254 -21.555  76.757
 1064    HA   VAL  29           HA       VAL  29  34.906 -20.047  77.361
 1065    HB   VAL  29           HB       VAL  29  35.995 -22.392  78.921
 1066   HG11  VAL  29          HG11      VAL  29  34.060 -21.189  79.885
 1067   HG12  VAL  29          HG12      VAL  29  33.600 -22.802  79.339
 1068   HG13  VAL  29          HG13      VAL  29  33.185 -21.389  78.367
 1069   HG21  VAL  29          HG21      VAL  29  34.372 -22.350  76.355
 1070   HG22  VAL  29          HG22      VAL  29  34.660 -23.787  77.336
 1071   HG23  VAL  29          HG23      VAL  29  36.010 -22.976  76.543
 1072    H    PHE  30           HN       PHE  30  37.770 -20.943  79.291
 1073    HA   PHE  30           HA       PHE  30  37.094 -19.580  81.632
 1074    HB2  PHE  30           HB2      PHE  30  39.807 -20.256  80.527
 1075    HB3  PHE  30           HB1      PHE  30  39.513 -19.696  82.159
 1076    HD1  PHE  30           HD1      PHE  30  37.154 -21.179  83.095
 1077    HD2  PHE  30           HD2      PHE  30  40.389 -22.507  80.579
 1078    HE1  PHE  30           HE1      PHE  30  36.741 -23.510  83.779
 1079    HE2  PHE  30           HE2      PHE  30  39.970 -24.833  81.292
 1080    HZ   PHE  30           HZ       PHE  30  38.148 -25.338  82.889
 1081    H    LYS  31           HN       LYS  31  39.104 -18.424  78.890
 1082    HA   LYS  31           HA       LYS  31  39.676 -15.943  80.184
 1083    HB2  LYS  31           HB2      LYS  31  40.017 -17.010  77.404
 1084    HB3  LYS  31           HB1      LYS  31  40.085 -15.264  77.619
 1085    HG2  LYS  31           HG2      LYS  31  41.812 -15.648  79.439
 1086    HG3  LYS  31           HG1      LYS  31  41.844 -17.343  78.949
 1087    HD2  LYS  31           HD2      LYS  31  42.508 -16.699  76.688
 1088    HD3  LYS  31           HD1      LYS  31  42.388 -14.997  77.113
 1089    HE2  LYS  31           HE2      LYS  31  44.207 -15.173  78.665
 1090    HE3  LYS  31           HE1      LYS  31  44.223 -16.934  78.533
 1091    HZ1  LYS  31           HZ1      LYS  31  44.441 -16.087  75.964
 1092    HZ2  LYS  31           HZ2      LYS  31  45.722 -16.630  76.940
 1093    HZ3  LYS  31           HZ3      LYS  31  45.392 -14.968  76.811
 1094    H    GLN  32           HN       GLN  32  37.250 -16.927  77.786
 1095    HA   GLN  32           HA       GLN  32  36.068 -14.349  77.546
 1096    HB2  GLN  32           HB2      GLN  32  35.825 -16.212  75.902
 1097    HB3  GLN  32           HB1      GLN  32  34.814 -17.057  77.074
 1098    HG2  GLN  32           HG2      GLN  32  33.258 -15.126  77.103
 1099    HG3  GLN  32           HG1      GLN  32  34.254 -14.322  75.889
 1100   HE21  GLN  32          HE21      GLN  32  33.427 -14.570  73.774
 1101   HE22  GLN  32          HE22      GLN  32  32.583 -15.937  73.229
 1102    H    TYR  33           HN       TYR  33  35.627 -17.094  79.666
 1103    HA   TYR  33           HA       TYR  33  33.181 -16.321  80.847
 1104    HB2  TYR  33           HB2      TYR  33  33.856 -18.579  81.049
 1105    HB3  TYR  33           HB1      TYR  33  35.450 -18.115  81.638
 1106    HD1  TYR  33           HD2      TYR  33  31.858 -18.255  82.482
 1107    HD2  TYR  33           HD1      TYR  33  35.846 -17.577  83.927
 1108    HE1  TYR  33           HE2      TYR  33  31.024 -18.321  84.817
 1109    HE2  TYR  33           HE1      TYR  33  35.011 -17.644  86.258
 1110    HH   TYR  33           HH       TYR  33  32.901 -17.293  87.466
 1111    H    ALA  34           HN       ALA  34  36.577 -15.720  81.675
 1112    HA   ALA  34           HA       ALA  34  36.182 -14.589  84.209
 1113    HB1  ALA  34           HB1      ALA  34  38.363 -13.393  82.597
 1114    HB2  ALA  34           HB2      ALA  34  38.365 -15.154  82.644
 1115    HB3  ALA  34           HB3      ALA  34  38.443 -14.237  84.145
 1116    H    ASN  35           HN       ASN  35  35.962 -13.087  80.935
 1117    HA   ASN  35           HA       ASN  35  35.721 -10.437  81.944
 1118    HB2  ASN  35           HB2      ASN  35  36.294 -11.373  79.531
 1119    HB3  ASN  35           HB1      ASN  35  34.548 -11.281  79.311
 1120   HD21  ASN  35          HD21      ASN  35  33.820  -9.206  78.551
 1121   HD22  ASN  35          HD22      ASN  35  34.667  -7.754  78.796
 1122    H    ASP  36           HN       ASP  36  33.453 -12.971  80.933
 1123    HA   ASP  36           HA       ASP  36  31.076 -11.473  81.246
 1124    HB2  ASP  36           HB2      ASP  36  31.251 -14.461  81.532
 1125    HB3  ASP  36           HB1      ASP  36  29.958 -13.491  80.826
 1126    H    ASN  37           HN       ASN  37  33.056 -13.174  83.623
 1127    HA   ASN  37           HA       ASN  37  30.842 -13.175  85.537
 1128    HB2  ASN  37           HB2      ASN  37  32.176 -14.583  86.858
 1129    HB3  ASN  37           HB1      ASN  37  32.421 -15.103  85.199
 1130   HD21  ASN  37          HD21      ASN  37  34.444 -15.923  86.748
 1131   HD22  ASN  37          HD22      ASN  37  35.815 -14.932  86.603
 1132    H    GLY  38           HN       GLY  38  33.725 -11.237  84.868
 1133    HA2  GLY  38           HA2      GLY  38  33.439  -8.937  85.836
 1134    HA3  GLY  38           HA1      GLY  38  33.211  -9.726  87.384
 1135    H    VAL  39           HN       VAL  39  35.509 -11.687  86.478
 1136    HA   VAL  39           HA       VAL  39  37.676  -9.863  87.369
 1137    HB   VAL  39           HB       VAL  39  37.441 -11.570  88.964
 1138   HG11  VAL  39          HG11      VAL  39  35.935 -13.003  87.640
 1139   HG12  VAL  39          HG12      VAL  39  37.203 -13.942  88.411
 1140   HG13  VAL  39          HG13      VAL  39  37.303 -13.565  86.691
 1141   HG21  VAL  39          HG21      VAL  39  39.511 -12.731  87.084
 1142   HG22  VAL  39          HG22      VAL  39  39.482 -12.841  88.838
 1143   HG23  VAL  39          HG23      VAL  39  39.794 -11.294  88.058
 1144    H    ASP  40           HN       ASP  40  38.814  -9.107  85.733
 1145    HA   ASP  40           HA       ASP  40  39.869 -11.002  83.706
 1146    HB2  ASP  40           HB2      ASP  40  38.052  -9.314  82.914
 1147    HB3  ASP  40           HB1      ASP  40  39.313  -8.099  83.095
 1148    H    GLY  41           HN       GLY  41  42.066 -11.203  84.235
 1149    HA2  GLY  41           HA2      GLY  41  43.579  -8.682  84.577
 1150    HA3  GLY  41           HA1      GLY  41  43.719  -9.919  85.814
 1151    H    GLU  42           HN       GLU  42  46.019 -10.144  85.413
 1152    HA   GLU  42           HA       GLU  42  46.984 -10.805  82.826
 1153    HB2  GLU  42           HB2      GLU  42  48.495 -11.417  85.340
 1154    HB3  GLU  42           HB1      GLU  42  49.096 -10.817  83.798
 1155    HG2  GLU  42           HG2      GLU  42  47.525  -9.269  85.876
 1156    HG3  GLU  42           HG1      GLU  42  49.190  -8.992  85.376
 1157    H    TRP  43           HN       TRP  43  47.766 -12.880  82.162
 1158    HA   TRP  43           HA       TRP  43  46.495 -15.144  83.606
 1159    HB2  TRP  43           HB2      TRP  43  46.786 -14.610  80.665
 1160    HB3  TRP  43           HB1      TRP  43  46.251 -16.149  81.334
 1161    HD1  TRP  43           HD1      TRP  43  45.099 -12.470  81.013
 1162    HE1  TRP  43           HE1      TRP  43  42.552 -12.424  81.428
 1163    HE3  TRP  43           HE3      TRP  43  44.387 -17.298  82.363
 1164    HZ2  TRP  43           HZ2      TRP  43  40.483 -14.241  82.208
 1165    HZ3  TRP  43           HZ3      TRP  43  42.146 -18.131  82.921
 1166    HH2  TRP  43           HH2      TRP  43  40.184 -16.620  82.849
 1167    H    THR  44           HN       THR  44  47.440 -16.918  83.794
 1168    HA   THR  44           HA       THR  44  50.021 -17.487  82.569
 1169    HB   THR  44           HB       THR  44  50.761 -17.331  84.743
 1170    HG1  THR  44           HG1      THR  44  50.523 -19.636  83.997
 1171   HG21  THR  44          HG21      THR  44  47.964 -18.092  85.558
 1172   HG22  THR  44          HG22      THR  44  48.668 -16.473  85.632
 1173   HG23  THR  44          HG23      THR  44  49.287 -17.753  86.675
 1174    H    TYR  45           HN       TYR  45  50.384 -19.897  82.118
 1175    HA   TYR  45           HA       TYR  45  47.907 -21.399  82.549
 1176    HB2  TYR  45           HB2      TYR  45  47.395 -20.821  80.354
 1177    HB3  TYR  45           HB1      TYR  45  49.078 -20.925  79.839
 1178    HD1  TYR  45           HD1      TYR  45  46.994 -23.329  81.893
 1179    HD2  TYR  45           HD2      TYR  45  49.247 -22.660  78.293
 1180    HE1  TYR  45           HE1      TYR  45  46.837 -25.726  81.340
 1181    HE2  TYR  45           HE2      TYR  45  49.074 -25.061  77.743
 1182    HH   TYR  45           HH       TYR  45  48.197 -27.004  78.314
 1183    H    ASP  46           HN       ASP  46  48.522 -22.977  83.738
 1184    HA   ASP  46           HA       ASP  46  51.195 -24.003  83.346
 1185    HB2  ASP  46           HB2      ASP  46  50.209 -23.701  85.697
 1186    HB3  ASP  46           HB1      ASP  46  49.143 -25.055  85.303
 1187    H    ASP  47           HN       ASP  47  51.538 -25.338  81.729
 1188    HA   ASP  47           HA       ASP  47  49.345 -27.195  80.968
 1189    HB2  ASP  47           HB2      ASP  47  50.853 -25.822  79.278
 1190    HB3  ASP  47           HB1      ASP  47  52.006 -27.123  79.572
 1191    H    ALA  48           HN       ALA  48  52.066 -26.830  82.752
 1192    HA   ALA  48           HA       ALA  48  53.219 -29.404  82.655
 1193    HB1  ALA  48           HB1      ALA  48  53.426 -27.480  84.958
 1194    HB2  ALA  48           HB2      ALA  48  54.089 -27.030  83.388
 1195    HB3  ALA  48           HB3      ALA  48  54.685 -28.466  84.219
 1196    H    THR  49           HN       THR  49  50.559 -27.944  84.412
 1197    HA   THR  49           HA       THR  49  49.875 -30.473  85.755
 1198    HB   THR  49           HB       THR  49  48.873 -28.839  87.578
 1199    HG1  THR  49           HG1      THR  49  51.024 -27.223  87.204
 1200   HG21  THR  49          HG21      THR  49  50.599 -30.406  88.142
 1201   HG22  THR  49          HG22      THR  49  51.068 -28.833  88.788
 1202   HG23  THR  49          HG23      THR  49  51.817 -29.439  87.311
 1203    H    LYS  50           HN       LYS  50  49.077 -28.387  83.362
 1204    HA   LYS  50           HA       LYS  50  47.123 -27.820  82.287
 1205    HB2  LYS  50           HB2      LYS  50  45.677 -29.848  83.990
 1206    HB3  LYS  50           HB1      LYS  50  45.357 -29.382  82.322
 1207    HG2  LYS  50           HG2      LYS  50  47.822 -30.896  83.252
 1208    HG3  LYS  50           HG1      LYS  50  46.417 -31.623  82.483
 1209    HD2  LYS  50           HD2      LYS  50  46.778 -30.198  80.499
 1210    HD3  LYS  50           HD1      LYS  50  48.214 -29.519  81.254
 1211    HE2  LYS  50           HE2      LYS  50  49.345 -31.613  81.219
 1212    HE3  LYS  50           HE1      LYS  50  47.869 -32.481  80.791
 1213    HZ1  LYS  50           HZ1      LYS  50  49.727 -31.172  79.097
 1214    HZ2  LYS  50           HZ2      LYS  50  48.176 -30.510  78.887
 1215    HZ3  LYS  50           HZ3      LYS  50  48.427 -32.178  78.680
 1216    H    THR  51           HN       THR  51  47.778 -26.050  84.294
 1217    HA   THR  51           HA       THR  51  45.104 -25.430  85.417
 1218    HB   THR  51           HB       THR  51  47.687 -25.463  87.004
 1219    HG1  THR  51           HG1      THR  51  46.436 -26.870  88.289
 1220   HG21  THR  51          HG21      THR  51  46.182 -24.644  88.884
 1221   HG22  THR  51          HG22      THR  51  44.987 -24.250  87.649
 1222   HG23  THR  51          HG23      THR  51  46.554 -23.442  87.650
 1223    H    PHE  52           HN       PHE  52  44.417 -23.362  85.068
 1224    HA   PHE  52           HA       PHE  52  46.346 -21.314  84.177
 1225    HB2  PHE  52           HB2      PHE  52  43.356 -21.609  83.926
 1226    HB3  PHE  52           HB1      PHE  52  44.241 -20.182  83.397
 1227    HD1  PHE  52           HD2      PHE  52  44.153 -23.913  82.988
 1228    HD2  PHE  52           HD1      PHE  52  45.014 -20.100  81.202
 1229    HE1  PHE  52           HE2      PHE  52  44.485 -25.008  80.784
 1230    HE2  PHE  52           HE1      PHE  52  45.327 -21.193  79.008
 1231    HZ   PHE  52           HZ       PHE  52  45.059 -23.634  78.796
 1232    H    THR  53           HN       THR  53  45.979 -19.076  85.016
 1233    HA   THR  53           HA       THR  53  44.174 -18.793  87.271
 1234    HB   THR  53           HB       THR  53  45.698 -18.176  88.965
 1235    HG1  THR  53           HG1      THR  53  47.903 -17.960  88.565
 1236   HG21  THR  53          HG21      THR  53  46.968 -20.565  87.600
 1237   HG22  THR  53          HG22      THR  53  45.578 -20.626  88.671
 1238   HG23  THR  53          HG23      THR  53  47.138 -20.127  89.299
 1239    H    VAL  54           HN       VAL  54  43.280 -16.698  87.199
 1240    HA   VAL  54           HA       VAL  54  44.763 -14.705  85.587
 1241    HB   VAL  54           HB       VAL  54  42.615 -15.415  84.605
 1242   HG11  VAL  54          HG11      VAL  54  41.338 -14.118  87.018
 1243   HG12  VAL  54          HG12      VAL  54  41.553 -15.859  86.868
 1244   HG13  VAL  54          HG13      VAL  54  40.534 -14.993  85.719
 1245   HG21  VAL  54          HG21      VAL  54  41.799 -13.174  84.153
 1246   HG22  VAL  54          HG22      VAL  54  43.551 -13.075  84.333
 1247   HG23  VAL  54          HG23      VAL  54  42.498 -12.565  85.653
 1248    H    THR  55           HN       THR  55  45.489 -12.923  86.601
 1249    HA   THR  55           HA       THR  55  44.300 -12.167  89.213
 1250    HB   THR  55           HB       THR  55  46.663 -13.304  89.152
 1251    HG1  THR  55           HG1      THR  55  45.486 -11.511  90.683
 1252   HG21  THR  55          HG21      THR  55  47.482 -10.439  88.619
 1253   HG22  THR  55          HG22      THR  55  47.459 -11.668  87.359
 1254   HG23  THR  55          HG23      THR  55  48.517 -11.857  88.748
 1255    H    GLU  56           HN       GLU  56  43.434 -10.147  89.252
 1256    HA   GLU  56           HA       GLU  56  44.412  -8.156  87.280
 1257    HB2  GLU  56           HB2      GLU  56  42.094  -7.075  88.030
 1258    HB3  GLU  56           HB1      GLU  56  42.151  -8.344  86.807
 1259    HG2  GLU  56           HG2      GLU  56  41.685 -10.043  88.496
 1260    HG3  GLU  56           HG1      GLU  56  41.694  -8.817  89.764
 1261    H1   MET   1           HT1      MET   1  62.257 -16.519  99.140
 1262    H2   MET   1           HT2      MET   1  63.176 -17.876  99.585
 1263    H3   MET   1           HT3      MET   1  63.850 -16.318  99.683
 1264    HA   MET   1           HA       MET   1  62.470 -15.706 101.458
 1265    HB2  MET   1           HB2      MET   1  60.384 -16.567 101.640
 1266    HB3  MET   1           HB1      MET   1  60.732 -17.546 100.244
 1267    HG2  MET   1           HG2      MET   1  61.766 -19.248 101.910
 1268    HG3  MET   1           HG1      MET   1  60.973 -18.299 103.164
 1269    HE1  MET   1           HE1      MET   1  59.308 -19.104  99.434
 1270    HE2  MET   1           HE2      MET   1  59.345 -20.801  99.822
 1271    HE3  MET   1           HE3      MET   1  60.831 -19.863  99.894
 1272    H    GLN   2           HN       GLN   2  62.409 -17.041 103.740
 1273    HA   GLN   2           HA       GLN   2  65.052 -18.382 103.867
 1274    HB2  GLN   2           HB2      GLN   2  63.715 -16.413 105.726
 1275    HB3  GLN   2           HB1      GLN   2  65.087 -17.401 106.224
 1276    HG2  GLN   2           HG2      GLN   2  66.518 -16.414 104.587
 1277    HG3  GLN   2           HG1      GLN   2  65.161 -15.666 103.746
 1278   HE21  GLN   2          HE21      GLN   2  67.538 -15.097 106.300
 1279   HE22  GLN   2          HE22      GLN   2  66.879 -13.637 106.860
 1280    H    TYR   3           HN       TYR   3  65.244 -20.217 104.870
 1281    HA   TYR   3           HA       TYR   3  62.962 -21.344 106.389
 1282    HB2  TYR   3           HB2      TYR   3  65.109 -22.708 104.754
 1283    HB3  TYR   3           HB1      TYR   3  63.937 -23.544 105.779
 1284    HD1  TYR   3           HD1      TYR   3  61.442 -23.016 105.395
 1285    HD2  TYR   3           HD2      TYR   3  64.536 -22.152 102.545
 1286    HE1  TYR   3           HE1      TYR   3  59.762 -22.961 103.580
 1287    HE2  TYR   3           HE2      TYR   3  62.842 -22.077 100.734
 1288    HH   TYR   3           HH       TYR   3  59.459 -22.918 101.369
 1289    H    LYS   4           HN       LYS   4  63.431 -22.015 108.430
 1290    HA   LYS   4           HA       LYS   4  66.253 -21.678 109.340
 1291    HB2  LYS   4           HB2      LYS   4  64.574 -19.961 110.115
 1292    HB3  LYS   4           HB1      LYS   4  63.746 -21.254 110.975
 1293    HG2  LYS   4           HG2      LYS   4  65.753 -21.694 112.309
 1294    HG3  LYS   4           HG1      LYS   4  66.647 -20.466 111.411
 1295    HD2  LYS   4           HD2      LYS   4  65.258 -18.697 112.256
 1296    HD3  LYS   4           HD1      LYS   4  64.093 -19.841 112.919
 1297    HE2  LYS   4           HE2      LYS   4  65.335 -19.166 114.805
 1298    HE3  LYS   4           HE1      LYS   4  66.076 -20.701 114.361
 1299    HZ1  LYS   4           HZ1      LYS   4  67.060 -17.990 113.670
 1300    HZ2  LYS   4           HZ2      LYS   4  67.734 -19.433 113.079
 1301    HZ3  LYS   4           HZ3      LYS   4  67.780 -19.089 114.742
 1302    H    LEU   5           HN       LEU   5  67.213 -23.430 110.220
 1303    HA   LEU   5           HA       LEU   5  65.492 -25.672 111.111
 1304    HB2  LEU   5           HB2      LEU   5  66.919 -26.276 109.240
 1305    HB3  LEU   5           HB1      LEU   5  68.322 -25.635 110.049
 1306    HG   LEU   5           HG       LEU   5  67.912 -28.226 109.973
 1307   HD11  LEU   5          HD11      LEU   5  69.786 -27.217 111.123
 1308   HD12  LEU   5          HD12      LEU   5  69.118 -28.538 112.075
 1309   HD13  LEU   5          HD13      LEU   5  68.782 -26.875 112.527
 1310   HD21  LEU   5          HD21      LEU   5  66.618 -29.234 111.611
 1311   HD22  LEU   5          HD22      LEU   5  65.586 -27.922 111.077
 1312   HD23  LEU   5          HD23      LEU   5  66.497 -27.774 112.571
 1313    H    ILE   6           HN       ILE   6  65.506 -26.205 113.213
 1314    HA   ILE   6           HA       ILE   6  67.383 -24.810 115.020
 1315    HB   ILE   6           HB       ILE   6  64.992 -26.509 115.763
 1316   HG12  ILE   6          HG12      ILE   6  64.275 -24.653 114.301
 1317   HG13  ILE   6          HG11      ILE   6  63.720 -24.412 115.954
 1318   HG21  ILE   6          HG21      ILE   6  65.158 -25.232 117.875
 1319   HG22  ILE   6          HG22      ILE   6  66.584 -24.407 117.246
 1320   HG23  ILE   6          HG23      ILE   6  66.626 -26.146 117.532
 1321   HD11  ILE   6          HD11      ILE   6  65.792 -22.952 116.276
 1322   HD12  ILE   6          HD12      ILE   6  64.550 -22.310 115.210
 1323   HD13  ILE   6          HD13      ILE   6  66.001 -23.038 114.528
 1324    H    LEU   7           HN       LEU   7  68.924 -25.865 116.037
 1325    HA   LEU   7           HA       LEU   7  69.256 -28.721 115.481
 1326    HB2  LEU   7           HB2      LEU   7  71.048 -26.564 116.591
 1327    HB3  LEU   7           HB1      LEU   7  71.470 -28.262 116.764
 1328    HG   LEU   7           HG       LEU   7  70.946 -28.243 114.099
 1329   HD11  LEU   7          HD11      LEU   7  70.380 -25.838 114.071
 1330   HD12  LEU   7          HD12      LEU   7  71.825 -26.168 113.114
 1331   HD13  LEU   7          HD13      LEU   7  71.975 -25.461 114.723
 1332   HD21  LEU   7          HD21      LEU   7  73.522 -27.291 115.378
 1333   HD22  LEU   7          HD22      LEU   7  73.369 -27.979 113.764
 1334   HD23  LEU   7          HD23      LEU   7  73.039 -28.976 115.180
 1335    H    ASN   8           HN       ASN   8  68.338 -30.073 116.801
 1336    HA   ASN   8           HA       ASN   8  68.639 -29.703 119.704
 1337    HB2  ASN   8           HB2      ASN   8  66.308 -30.901 119.739
 1338    HB3  ASN   8           HB1      ASN   8  66.379 -29.159 119.492
 1339   HD21  ASN   8          HD21      ASN   8  64.754 -31.756 118.346
 1340   HD22  ASN   8          HD22      ASN   8  64.535 -31.288 116.729
 1341    H    GLY   9           HN       GLY   9  70.415 -31.133 119.480
 1342    HA2  GLY   9           HA2      GLY   9  69.679 -33.935 118.822
 1343    HA3  GLY   9           HA1      GLY   9  71.248 -33.242 118.441
 1344    H    LYS  10           HN       LYS  10  72.231 -34.924 119.658
 1345    HA   LYS  10           HA       LYS  10  71.655 -35.244 122.433
 1346    HB2  LYS  10           HB2      LYS  10  74.272 -36.064 121.168
 1347    HB3  LYS  10           HB1      LYS  10  73.384 -36.843 122.478
 1348    HG2  LYS  10           HG2      LYS  10  71.499 -37.138 120.654
 1349    HG3  LYS  10           HG1      LYS  10  72.824 -36.895 119.517
 1350    HD2  LYS  10           HD2      LYS  10  74.072 -38.742 120.659
 1351    HD3  LYS  10           HD1      LYS  10  72.646 -39.032 121.658
 1352    HE2  LYS  10           HE2      LYS  10  71.309 -39.444 119.615
 1353    HE3  LYS  10           HE1      LYS  10  72.748 -39.187 118.630
 1354    HZ1  LYS  10           HZ1      LYS  10  71.991 -41.572 119.499
 1355    HZ2  LYS  10           HZ2      LYS  10  72.994 -41.115 120.792
 1356    HZ3  LYS  10           HZ3      LYS  10  73.612 -41.169 119.210
 1357    H    THR  11           HN       THR  11  74.400 -33.586 120.727
 1358    HA   THR  11           HA       THR  11  74.634 -31.833 123.100
 1359    HB   THR  11           HB       THR  11  77.139 -31.851 122.658
 1360    HG1  THR  11           HG1      THR  11  76.694 -34.352 121.490
 1361   HG21  THR  11          HG21      THR  11  75.665 -34.320 123.585
 1362   HG22  THR  11          HG22      THR  11  76.204 -32.962 124.573
 1363   HG23  THR  11          HG23      THR  11  77.388 -34.052 123.849
 1364    H    LEU  12           HN       LEU  12  74.283 -32.106 119.736
 1365    HA   LEU  12           HA       LEU  12  75.510 -29.544 119.150
 1366    HB2  LEU  12           HB2      LEU  12  74.989 -31.885 117.682
 1367    HB3  LEU  12           HB1      LEU  12  73.861 -30.714 117.011
 1368    HG   LEU  12           HG       LEU  12  76.866 -30.435 117.253
 1369   HD11  LEU  12          HD11      LEU  12  76.831 -30.381 114.843
 1370   HD12  LEU  12          HD12      LEU  12  75.072 -30.359 114.816
 1371   HD13  LEU  12          HD13      LEU  12  75.931 -31.803 115.361
 1372   HD21  LEU  12          HD21      LEU  12  75.982 -28.249 115.798
 1373   HD22  LEU  12          HD22      LEU  12  76.433 -28.215 117.495
 1374   HD23  LEU  12          HD23      LEU  12  74.740 -28.384 117.041
 1375    H    LYS  13           HN       LYS  13  74.426 -27.752 119.752
 1376    HA   LYS  13           HA       LYS  13  71.584 -27.545 118.990
 1377    HB2  LYS  13           HB2      LYS  13  72.727 -26.953 121.729
 1378    HB3  LYS  13           HB1      LYS  13  71.215 -26.252 121.169
 1379    HG2  LYS  13           HG2      LYS  13  70.244 -28.124 122.061
 1380    HG3  LYS  13           HG1      LYS  13  70.782 -28.918 120.588
 1381    HD2  LYS  13           HD2      LYS  13  73.043 -29.216 122.020
 1382    HD3  LYS  13           HD1      LYS  13  71.910 -29.087 123.365
 1383    HE2  LYS  13           HE2      LYS  13  71.978 -31.401 122.902
 1384    HE3  LYS  13           HE1      LYS  13  70.516 -30.858 122.078
 1385    HZ1  LYS  13           HZ1      LYS  13  71.426 -31.184 120.060
 1386    HZ2  LYS  13           HZ2      LYS  13  72.445 -32.258 120.891
 1387    HZ3  LYS  13           HZ3      LYS  13  72.969 -30.681 120.543
 1388    H    GLY  14           HN       GLY  14  70.990 -25.674 118.166
 1389    HA2  GLY  14           HA2      GLY  14  71.967 -23.129 118.627
 1390    HA3  GLY  14           HA1      GLY  14  72.947 -23.791 117.317
 1391    H    GLU  15           HN       GLU  15  72.000 -22.223 115.808
 1392    HA   GLU  15           HA       GLU  15  69.294 -23.011 114.884
 1393    HB2  GLU  15           HB2      GLU  15  70.417 -20.214 114.657
 1394    HB3  GLU  15           HB1      GLU  15  68.788 -20.764 114.267
 1395    HG2  GLU  15           HG2      GLU  15  69.962 -20.949 117.031
 1396    HG3  GLU  15           HG1      GLU  15  69.048 -19.558 116.467
 1397    H    THR  16           HN       THR  16  68.982 -22.654 112.557
 1398    HA   THR  16           HA       THR  16  71.405 -22.190 110.984
 1399    HB   THR  16           HB       THR  16  70.226 -24.494 109.797
 1400    HG1  THR  16           HG1      THR  16  70.519 -24.628 112.597
 1401   HG21  THR  16          HG21      THR  16  72.755 -24.161 111.408
 1402   HG22  THR  16          HG22      THR  16  72.580 -23.922 109.669
 1403   HG23  THR  16          HG23      THR  16  72.393 -25.533 110.361
 1404    H    THR  17           HN       THR  17  70.975 -21.339 108.978
 1405    HA   THR  17           HA       THR  17  68.212 -21.417 108.019
 1406    HB   THR  17           HB       THR  17  69.517 -18.716 108.155
 1407    HG1  THR  17           HG1      THR  17  67.713 -19.379 110.131
 1408   HG21  THR  17          HG21      THR  17  66.604 -19.471 108.405
 1409   HG22  THR  17          HG22      THR  17  67.375 -19.317 106.829
 1410   HG23  THR  17          HG23      THR  17  67.297 -17.932 107.905
 1411    H    THR  18           HN       THR  18  67.919 -20.672 105.890
 1412    HA   THR  18           HA       THR  18  70.208 -20.130 104.220
 1413    HB   THR  18           HB       THR  18  70.108 -22.661 104.491
 1414    HG1  THR  18           HG1      THR  18  70.652 -21.193 102.490
 1415   HG21  THR  18          HG21      THR  18  67.785 -22.573 102.595
 1416   HG22  THR  18          HG22      THR  18  67.477 -22.518 104.329
 1417   HG23  THR  18          HG23      THR  18  68.330 -23.893 103.628
 1418    H    GLU  19           HN       GLU  19  69.561 -19.434 102.113
 1419    HA   GLU  19           HA       GLU  19  66.778 -18.436 101.995
 1420    HB2  GLU  19           HB2      GLU  19  68.742 -16.841 101.843
 1421    HB3  GLU  19           HB1      GLU  19  69.187 -17.639 100.339
 1422    HG2  GLU  19           HG2      GLU  19  67.887 -15.949  99.447
 1423    HG3  GLU  19           HG1      GLU  19  66.607 -17.121  99.745
 1424    H    ALA  20           HN       ALA  20  65.416 -19.613 100.725
 1425    HA   ALA  20           HA       ALA  20  66.361 -20.623  98.148
 1426    HB1  ALA  20           HB1      ALA  20  65.041 -22.528 100.090
 1427    HB2  ALA  20           HB2      ALA  20  66.794 -22.389  99.961
 1428    HB3  ALA  20           HB3      ALA  20  65.845 -22.901  98.567
 1429    H    VAL  21           HN       VAL  21  64.636 -21.375  96.798
 1430    HA   VAL  21           HA       VAL  21  62.287 -19.782  97.066
 1431    HB   VAL  21           HB       VAL  21  62.891 -20.131  94.834
 1432   HG11  VAL  21          HG11      VAL  21  63.452 -22.489  94.016
 1433   HG12  VAL  21          HG12      VAL  21  63.534 -22.939  95.715
 1434   HG13  VAL  21          HG13      VAL  21  64.625 -21.714  95.075
 1435   HG21  VAL  21          HG21      VAL  21  61.085 -22.540  95.076
 1436   HG22  VAL  21          HG22      VAL  21  61.111 -21.305  93.821
 1437   HG23  VAL  21          HG23      VAL  21  60.455 -20.929  95.413
 1438    H    ASP  22           HN       ASP  22  63.088 -23.215  97.362
 1439    HA   ASP  22           HA       ASP  22  60.397 -23.645  98.560
 1440    HB2  ASP  22           HB2      ASP  22  62.201 -25.549  97.085
 1441    HB3  ASP  22           HB1      ASP  22  60.747 -26.035  97.956
 1442    H    ALA  23           HN       ALA  23  60.175 -24.991 100.288
 1443    HA   ALA  23           HA       ALA  23  62.299 -24.838 102.225
 1444    HB1  ALA  23           HB1      ALA  23  59.994 -26.638 102.761
 1445    HB2  ALA  23           HB2      ALA  23  59.577 -24.969 102.388
 1446    HB3  ALA  23           HB3      ALA  23  60.651 -25.323 103.737
 1447    H    ALA  24           HN       ALA  24  60.808 -27.362 100.244
 1448    HA   ALA  24           HA       ALA  24  62.224 -29.564 101.318
 1449    HB1  ALA  24           HB1      ALA  24  60.264 -29.934  99.921
 1450    HB2  ALA  24           HB2      ALA  24  61.661 -30.692  99.155
 1451    HB3  ALA  24           HB3      ALA  24  61.051 -29.152  98.549
 1452    H    THR  25           HN       THR  25  63.121 -27.254  98.599
 1453    HA   THR  25           HA       THR  25  65.461 -28.687  97.839
 1454    HB   THR  25           HB       THR  25  64.154 -26.720  96.613
 1455    HG1  THR  25           HG1      THR  25  66.577 -26.286  95.839
 1456   HG21  THR  25          HG21      THR  25  64.990 -25.081  98.502
 1457   HG22  THR  25          HG22      THR  25  65.024 -24.548  96.827
 1458   HG23  THR  25          HG23      THR  25  66.504 -25.109  97.603
 1459    H    ALA  26           HN       ALA  26  64.814 -26.181 100.241
 1460    HA   ALA  26           HA       ALA  26  67.534 -25.668 100.925
 1461    HB1  ALA  26           HB1      ALA  26  66.271 -24.834 103.119
 1462    HB2  ALA  26           HB2      ALA  26  64.853 -25.026 102.094
 1463    HB3  ALA  26           HB3      ALA  26  66.149 -23.936 101.608
 1464    H    GLU  27           HN       GLU  27  65.093 -27.900 102.028
 1465    HA   GLU  27           HA       GLU  27  66.252 -28.847 104.386
 1466    HB2  GLU  27           HB2      GLU  27  64.419 -30.202 104.390
 1467    HB3  GLU  27           HB1      GLU  27  63.973 -29.425 102.875
 1468    HG2  GLU  27           HG2      GLU  27  65.332 -31.183 101.665
 1469    HG3  GLU  27           HG1      GLU  27  65.549 -31.996 103.209
 1470    H    LYS  28           HN       LYS  28  67.013 -29.545 101.051
 1471    HA   LYS  28           HA       LYS  28  68.334 -31.984 101.328
 1472    HB2  LYS  28           HB2      LYS  28  69.092 -29.674  99.514
 1473    HB3  LYS  28           HB1      LYS  28  69.614 -31.347  99.319
 1474    HG2  LYS  28           HG2      LYS  28  67.104 -31.938  99.270
 1475    HG3  LYS  28           HG1      LYS  28  66.830 -30.212  99.030
 1476    HD2  LYS  28           HD2      LYS  28  68.444 -32.069  97.247
 1477    HD3  LYS  28           HD1      LYS  28  66.938 -31.248  96.837
 1478    HE2  LYS  28           HE2      LYS  28  68.224 -29.043  97.334
 1479    HE3  LYS  28           HE1      LYS  28  69.682 -30.020  97.251
 1480    HZ1  LYS  28           HZ1      LYS  28  67.827 -30.289  94.934
 1481    HZ2  LYS  28           HZ2      LYS  28  69.524 -30.233  94.937
 1482    HZ3  LYS  28           HZ3      LYS  28  68.628 -28.795  95.058
 1483    H    VAL  29           HN       VAL  29  69.530 -28.689 101.794
 1484    HA   VAL  29           HA       VAL  29  72.199 -29.483 102.427
 1485    HB   VAL  29           HB       VAL  29  70.824 -26.929 103.271
 1486   HG11  VAL  29          HG11      VAL  29  73.063 -27.362 104.219
 1487   HG12  VAL  29          HG12      VAL  29  73.112 -26.024 103.071
 1488   HG13  VAL  29          HG13      VAL  29  73.700 -27.618 102.595
 1489   HG21  VAL  29          HG21      VAL  29  72.115 -27.657 100.623
 1490   HG22  VAL  29          HG22      VAL  29  71.640 -26.025 101.091
 1491   HG23  VAL  29          HG23      VAL  29  70.414 -27.275 100.882
 1492    H    PHE  30           HN       PHE  30  69.456 -28.398 104.428
 1493    HA   PHE  30           HA       PHE  30  70.666 -28.683 106.928
 1494    HB2  PHE  30           HB2      PHE  30  67.764 -28.897 106.172
 1495    HB3  PHE  30           HB1      PHE  30  68.353 -28.762 107.815
 1496    HD1  PHE  30           HD1      PHE  30  70.437 -26.683 107.731
 1497    HD2  PHE  30           HD2      PHE  30  66.715 -26.907 105.575
 1498    HE1  PHE  30           HE1      PHE  30  70.414 -24.230 107.497
 1499    HE2  PHE  30           HE2      PHE  30  66.703 -24.448 105.366
 1500    HZ   PHE  30           HZ       PHE  30  68.551 -23.108 106.322
 1501    H    LYS  31           HN       LYS  31  68.659 -31.059 105.140
 1502    HA   LYS  31           HA       LYS  31  68.756 -32.952 107.275
 1503    HB2  LYS  31           HB2      LYS  31  67.922 -33.059 104.394
 1504    HB3  LYS  31           HB1      LYS  31  68.209 -34.583 105.229
 1505    HG2  LYS  31           HG2      LYS  31  66.640 -33.738 107.060
 1506    HG3  LYS  31           HG1      LYS  31  66.215 -32.423 105.964
 1507    HD2  LYS  31           HD2      LYS  31  65.450 -34.017 104.292
 1508    HD3  LYS  31           HD1      LYS  31  65.999 -35.365 105.281
 1509    HE2  LYS  31           HE2      LYS  31  64.368 -34.901 106.971
 1510    HE3  LYS  31           HE1      LYS  31  63.947 -33.357 106.225
 1511    HZ1  LYS  31           HZ1      LYS  31  63.637 -35.168 104.221
 1512    HZ2  LYS  31           HZ2      LYS  31  62.386 -34.487 105.149
 1513    HZ3  LYS  31           HZ3      LYS  31  63.046 -35.993 105.580
 1514    H    GLN  32           HN       GLN  32  70.659 -32.538 104.315
 1515    HA   GLN  32           HA       GLN  32  72.312 -34.816 104.763
 1516    HB2  GLN  32           HB2      GLN  32  71.971 -33.677 102.564
 1517    HB3  GLN  32           HB1      GLN  32  72.919 -32.320 103.171
 1518    HG2  GLN  32           HG2      GLN  32  74.824 -33.857 103.580
 1519    HG3  GLN  32           HG1      GLN  32  73.879 -35.184 102.908
 1520   HE21  GLN  32          HE21      GLN  32  74.386 -35.606 100.720
 1521   HE22  GLN  32          HE22      GLN  32  74.874 -34.425  99.603
 1522    H    TYR  33           HN       TYR  33  72.405 -31.445 105.691
 1523    HA   TYR  33           HA       TYR  33  75.074 -31.328 106.597
 1524    HB2  TYR  33           HB2      TYR  33  73.955 -29.294 106.142
 1525    HB3  TYR  33           HB1      TYR  33  72.576 -29.758 107.133
 1526    HD1  TYR  33           HD2      TYR  33  76.119 -28.725 107.210
 1527    HD2  TYR  33           HD1      TYR  33  72.566 -29.481 109.503
 1528    HE1  TYR  33           HE2      TYR  33  77.172 -27.669 109.192
 1529    HE2  TYR  33           HE1      TYR  33  73.619 -28.427 111.482
 1530    HH   TYR  33           HH       TYR  33  75.857 -27.942 112.333
 1531    H    ALA  34           HN       ALA  34  72.006 -32.099 108.207
 1532    HA   ALA  34           HA       ALA  34  72.939 -32.139 110.849
 1533    HB1  ALA  34           HB1      ALA  34  70.875 -34.155 110.159
 1534    HB2  ALA  34           HB2      ALA  34  70.517 -32.507 109.643
 1535    HB3  ALA  34           HB3      ALA  34  70.819 -32.848 111.345
 1536    H    ASN  35           HN       ASN  35  73.065 -34.698 108.305
 1537    HA   ASN  35           HA       ASN  35  73.967 -36.716 110.097
 1538    HB2  ASN  35           HB2      ASN  35  72.942 -36.833 107.651
 1539    HB3  ASN  35           HB1      ASN  35  74.634 -36.742 107.168
 1540   HD21  ASN  35          HD21      ASN  35  75.687 -38.814 107.064
 1541   HD22  ASN  35          HD22      ASN  35  75.179 -40.182 107.932
 1542    H    ASP  36           HN       ASP  36  75.518 -34.412 107.892
 1543    HA   ASP  36           HA       ASP  36  78.178 -35.295 108.258
 1544    HB2  ASP  36           HB2      ASP  36  77.401 -32.482 107.536
 1545    HB3  ASP  36           HB1      ASP  36  78.788 -33.422 106.985
 1546    H    ASN  37           HN       ASN  37  76.160 -33.165 110.226
 1547    HA   ASN  37           HA       ASN  37  78.522 -32.111 111.591
 1548    HB2  ASN  37           HB2      ASN  37  77.077 -30.546 112.574
 1549    HB3  ASN  37           HB1      ASN  37  76.537 -30.723 110.912
 1550   HD21  ASN  37          HD21      ASN  37  74.574 -29.721 112.422
 1551   HD22  ASN  37          HD22      ASN  37  73.442 -30.898 112.882
 1552    H    GLY  38           HN       GLY  38  76.067 -34.593 112.161
 1553    HA2  GLY  38           HA2      GLY  38  76.946 -36.296 113.785
 1554    HA3  GLY  38           HA1      GLY  38  77.174 -34.965 114.902
 1555    H    VAL  39           HN       VAL  39  74.430 -33.857 113.841
 1556    HA   VAL  39           HA       VAL  39  72.818 -35.544 115.674
 1557    HB   VAL  39           HB       VAL  39  72.860 -33.349 116.509
 1558   HG11  VAL  39          HG11      VAL  39  73.851 -32.294 114.517
 1559   HG12  VAL  39          HG12      VAL  39  72.504 -31.353 115.137
 1560   HG13  VAL  39          HG13      VAL  39  72.295 -32.359 113.704
 1561   HG21  VAL  39          HG21      VAL  39  70.380 -33.344 114.771
 1562   HG22  VAL  39          HG22      VAL  39  70.589 -32.560 116.332
 1563   HG23  VAL  39          HG23      VAL  39  70.538 -34.318 116.228
 1564    H    ASP  40           HN       ASP  40  71.691 -37.026 114.638
 1565    HA   ASP  40           HA       ASP  40  70.030 -36.217 112.313
 1566    HB2  ASP  40           HB2      ASP  40  72.064 -37.771 111.825
 1567    HB3  ASP  40           HB1      ASP  40  71.121 -39.013 112.642
 1568    H    GLY  41           HN       GLY  41  67.916 -36.185 113.143
 1569    HA2  GLY  41           HA2      GLY  41  67.051 -38.597 114.626
 1570    HA3  GLY  41           HA1      GLY  41  66.802 -37.023 115.362
 1571    H    GLU  42           HN       GLU  42  64.463 -37.397 115.369
 1572    HA   GLU  42           HA       GLU  42  63.112 -37.881 112.920
 1573    HB2  GLU  42           HB2      GLU  42  61.734 -36.713 115.318
 1574    HB3  GLU  42           HB1      GLU  42  61.161 -37.927 114.179
 1575    HG2  GLU  42           HG2      GLU  42  63.250 -38.307 116.338
 1576    HG3  GLU  42           HG1      GLU  42  61.646 -39.032 116.274
 1577    H    TRP  43           HN       TRP  43  62.197 -36.459 111.578
 1578    HA   TRP  43           HA       TRP  43  62.897 -33.625 111.945
 1579    HB2  TRP  43           HB2      TRP  43  62.294 -35.308 109.516
 1580    HB3  TRP  43           HB1      TRP  43  62.478 -33.554 109.459
 1581    HD1  TRP  43           HD1      TRP  43  64.500 -36.760 110.139
 1582    HE1  TRP  43           HE1      TRP  43  67.006 -36.164 110.068
 1583    HE3  TRP  43           HE3      TRP  43  64.171 -31.706 109.687
 1584    HZ2  TRP  43           HZ2      TRP  43  68.636 -33.854 109.809
 1585    HZ3  TRP  43           HZ3      TRP  43  66.212 -30.333 109.516
 1586    HH2  TRP  43           HH2      TRP  43  68.450 -31.392 109.577
 1587    H    THR  44           HN       THR  44  61.554 -32.081 111.076
 1588    HA   THR  44           HA       THR  44  58.736 -32.555 110.674
 1589    HB   THR  44           HB       THR  44  58.732 -32.479 113.103
 1590    HG1  THR  44           HG1      THR  44  57.882 -30.252 111.662
 1591   HG21  THR  44          HG21      THR  44  60.619 -30.165 112.672
 1592   HG22  THR  44          HG22      THR  44  60.772 -31.543 113.761
 1593   HG23  THR  44          HG23      THR  44  59.631 -30.252 114.129
 1594    H    TYR  45           HN       TYR  45  57.700 -30.436 109.968
 1595    HA   TYR  45           HA       TYR  45  59.551 -28.251 109.470
 1596    HB2  TYR  45           HB2      TYR  45  60.127 -29.483 107.547
 1597    HB3  TYR  45           HB1      TYR  45  58.464 -29.978 107.259
 1598    HD1  TYR  45           HD1      TYR  45  60.194 -26.682 107.864
 1599    HD2  TYR  45           HD2      TYR  45  57.533 -28.962 105.378
 1600    HE1  TYR  45           HE1      TYR  45  59.840 -24.706 106.417
 1601    HE2  TYR  45           HE2      TYR  45  57.180 -26.983 103.936
 1602    HH   TYR  45           HH       TYR  45  57.955 -24.922 103.435
 1603    H    ASP  46           HN       ASP  46  58.488 -26.492 109.934
 1604    HA   ASP  46           HA       ASP  46  55.570 -26.434 109.541
 1605    HB2  ASP  46           HB2      ASP  46  56.320 -25.704 111.766
 1606    HB3  ASP  46           HB1      ASP  46  57.399 -24.509 111.024
 1607    H    ASP  47           HN       ASP  47  54.983 -25.710 107.497
 1608    HA   ASP  47           HA       ASP  47  56.796 -24.015 105.985
 1609    HB2  ASP  47           HB2      ASP  47  55.344 -25.974 105.079
 1610    HB3  ASP  47           HB1      ASP  47  54.028 -24.802 105.101
 1611    H    ALA  48           HN       ALA  48  54.371 -23.556 108.222
 1612    HA   ALA  48           HA       ALA  48  53.248 -21.135 107.111
 1613    HB1  ALA  48           HB1      ALA  48  53.102 -21.965 110.000
 1614    HB2  ALA  48           HB2      ALA  48  52.153 -22.795 108.767
 1615    HB3  ALA  48           HB3      ALA  48  51.920 -21.069 109.045
 1616    H    THR  49           HN       THR  49  56.038 -21.999 109.053
 1617    HA   THR  49           HA       THR  49  56.685 -19.133 109.434
 1618    HB   THR  49           HB       THR  49  57.988 -20.070 111.532
 1619    HG1  THR  49           HG1      THR  49  56.036 -21.801 112.066
 1620   HG21  THR  49          HG21      THR  49  56.130 -18.481 111.681
 1621   HG22  THR  49          HG22      THR  49  56.003 -19.700 112.949
 1622   HG23  THR  49          HG23      THR  49  54.973 -19.802 111.521
 1623    H    LYS  50           HN       LYS  50  57.402 -21.610 107.556
 1624    HA   LYS  50           HA       LYS  50  59.308 -22.457 106.560
 1625    HB2  LYS  50           HB2      LYS  50  60.585 -19.789 107.145
 1626    HB3  LYS  50           HB1      LYS  50  60.741 -20.798 105.709
 1627    HG2  LYS  50           HG2      LYS  50  58.182 -19.376 106.527
 1628    HG3  LYS  50           HG1      LYS  50  59.327 -18.767 105.338
 1629    HD2  LYS  50           HD2      LYS  50  59.024 -20.854 104.023
 1630    HD3  LYS  50           HD1      LYS  50  57.789 -21.372 105.166
 1631    HE2  LYS  50           HE2      LYS  50  56.350 -19.568 104.572
 1632    HE3  LYS  50           HE1      LYS  50  57.640 -18.734 103.705
 1633    HZ1  LYS  50           HZ1      LYS  50  55.871 -20.758 102.781
 1634    HZ2  LYS  50           HZ2      LYS  50  57.490 -21.224 102.563
 1635    HZ3  LYS  50           HZ3      LYS  50  56.926 -19.767 101.895
 1636    H    THR  51           HN       THR  51  59.214 -23.382 109.145
 1637    HA   THR  51           HA       THR  51  62.045 -23.148 110.023
 1638    HB   THR  51           HB       THR  51  59.601 -23.145 111.816
 1639    HG1  THR  51           HG1      THR  51  60.639 -21.147 112.459
 1640   HG21  THR  51          HG21      THR  51  61.419 -22.874 113.623
 1641   HG22  THR  51          HG22      THR  51  62.550 -23.479 112.413
 1642   HG23  THR  51          HG23      THR  51  61.210 -24.492 112.951
 1643    H    PHE  52           HN       PHE  52  63.131 -25.065 110.213
 1644    HA   PHE  52           HA       PHE  52  61.615 -27.599 110.329
 1645    HB2  PHE  52           HB2      PHE  52  64.401 -26.871 109.423
 1646    HB3  PHE  52           HB1      PHE  52  63.856 -28.538 109.610
 1647    HD1  PHE  52           HD2      PHE  52  62.995 -25.311 107.910
 1648    HD2  PHE  52           HD1      PHE  52  62.738 -29.600 107.859
 1649    HE1  PHE  52           HE2      PHE  52  62.050 -25.239 105.616
 1650    HE2  PHE  52           HE1      PHE  52  61.805 -29.521 105.569
 1651    HZ   PHE  52           HZ       PHE  52  61.463 -27.349 104.448
 1652    H    THR  53           HN       THR  53  62.553 -29.297 111.767
 1653    HA   THR  53           HA       THR  53  64.583 -28.463 113.669
 1654    HB   THR  53           HB       THR  53  63.367 -28.724 115.693
 1655    HG1  THR  53           HG1      THR  53  61.258 -29.418 115.736
 1656   HG21  THR  53          HG21      THR  53  61.554 -27.126 113.864
 1657   HG22  THR  53          HG22      THR  53  63.023 -26.517 114.606
 1658   HG23  THR  53          HG23      THR  53  61.665 -26.979 115.616
 1659    H    VAL  54           HN       VAL  54  65.888 -30.272 114.147
 1660    HA   VAL  54           HA       VAL  54  64.708 -32.946 113.580
 1661    HB   VAL  54           HB       VAL  54  66.550 -32.283 112.059
 1662   HG11  VAL  54          HG11      VAL  54  68.323 -32.367 114.503
 1663   HG12  VAL  54          HG12      VAL  54  67.690 -30.865 113.837
 1664   HG13  VAL  54          HG13      VAL  54  68.763 -31.877 112.870
 1665   HG21  VAL  54          HG21      VAL  54  67.812 -34.350 112.260
 1666   HG22  VAL  54          HG22      VAL  54  66.152 -34.687 112.749
 1667   HG23  VAL  54          HG23      VAL  54  67.407 -34.487 113.971
 1668    H    THR  55           HN       THR  55  64.462 -34.276 115.299
 1669    HA   THR  55           HA       THR  55  66.081 -33.788 117.737
 1670    HB   THR  55           HB       THR  55  63.553 -33.105 117.729
 1671    HG1  THR  55           HG1      THR  55  65.237 -34.048 119.546
 1672   HG21  THR  55          HG21      THR  55  63.245 -36.033 118.422
 1673   HG22  THR  55          HG22      THR  55  62.881 -35.400 116.818
 1674   HG23  THR  55          HG23      THR  55  61.977 -34.825 118.215
 1675    H    GLU  56           HN       GLU  56  67.362 -35.474 118.292
 1676    HA   GLU  56           HA       GLU  56  66.593 -38.194 117.393
 1677    HB2  GLU  56           HB2      GLU  56  69.145 -38.548 118.085
 1678    HB3  GLU  56           HB1      GLU  56  68.713 -37.876 116.515
 1679    HG2  GLU  56           HG2      GLU  56  68.991 -35.603 117.375
 1680    HG3  GLU  56           HG1      GLU  56  69.372 -36.239 118.975
 1681    H1   MET   1           HT1      MET   1  51.876  16.664  96.181
 1682    H2   MET   1           HT2      MET   1  52.599  15.187  96.605
 1683    H3   MET   1           HT3      MET   1  53.450  16.643  96.811
 1684    HA   MET   1           HA       MET   1  51.962  17.372  98.499
 1685    HB2  MET   1           HB2      MET   1  49.842  16.538  98.677
 1686    HB3  MET   1           HB1      MET   1  50.181  15.654  97.204
 1687    HG2  MET   1           HG2      MET   1  51.179  13.837  98.830
 1688    HG3  MET   1           HG1      MET   1  50.234  14.680 100.053
 1689    HE1  MET   1           HE1      MET   1  49.547  13.780  96.136
 1690    HE2  MET   1           HE2      MET   1  48.901  12.197  96.512
 1691    HE3  MET   1           HE3      MET   1  50.524  12.619  97.040
 1692    H    GLN   2           HN       GLN   2  51.704  15.831 100.786
 1693    HA   GLN   2           HA       GLN   2  54.346  14.486 101.004
 1694    HB2  GLN   2           HB2      GLN   2  52.957  16.424 102.861
 1695    HB3  GLN   2           HB1      GLN   2  54.268  15.380 103.407
 1696    HG2  GLN   2           HG2      GLN   2  55.832  16.387 101.924
 1697    HG3  GLN   2           HG1      GLN   2  54.560  17.173 100.992
 1698   HE21  GLN   2          HE21      GLN   2  56.679  17.604 103.815
 1699   HE22  GLN   2          HE22      GLN   2  56.022  19.087 104.316
 1700    H    TYR   3           HN       TYR   3  54.499  12.661 102.155
 1701    HA   TYR   3           HA       TYR   3  52.046  11.527 103.376
 1702    HB2  TYR   3           HB2      TYR   3  54.322  10.161 101.930
 1703    HB3  TYR   3           HB1      TYR   3  53.052   9.321 102.825
 1704    HD1  TYR   3           HD1      TYR   3  50.605   9.899 102.222
 1705    HD2  TYR   3           HD2      TYR   3  53.964  10.746  99.683
 1706    HE1  TYR   3           HE1      TYR   3  49.100  10.008 100.260
 1707    HE2  TYR   3           HE2      TYR   3  52.448  10.870  97.723
 1708    HH   TYR   3           HH       TYR   3  49.006  10.082  98.024
 1709    H    LYS   4           HN       LYS   4  52.278  10.810 105.434
 1710    HA   LYS   4           HA       LYS   4  54.994  11.056 106.642
 1711    HB2  LYS   4           HB2      LYS   4  53.274  12.796 107.281
 1712    HB3  LYS   4           HB1      LYS   4  52.344  11.500 108.027
 1713    HG2  LYS   4           HG2      LYS   4  54.201  10.993 109.540
 1714    HG3  LYS   4           HG1      LYS   4  55.205  12.215 108.757
 1715    HD2  LYS   4           HD2      LYS   4  53.773  14.001 109.498
 1716    HD3  LYS   4           HD1      LYS   4  52.532  12.869 110.031
 1717    HE2  LYS   4           HE2      LYS   4  53.616  13.496 112.031
 1718    HE3  LYS   4           HE1      LYS   4  54.352  11.945 111.632
 1719    HZ1  LYS   4           HZ1      LYS   4  55.464  14.642 111.096
 1720    HZ2  LYS   4           HZ2      LYS   4  56.143  13.199 110.507
 1721    HZ3  LYS   4           HZ3      LYS   4  56.067  13.485 112.180
 1722    H    LEU   5           HN       LEU   5  55.814   9.262 107.568
 1723    HA   LEU   5           HA       LEU   5  53.957   7.046 108.226
 1724    HB2  LEU   5           HB2      LEU   5  55.544   6.441 106.489
 1725    HB3  LEU   5           HB1      LEU   5  56.877   7.028 107.445
 1726    HG   LEU   5           HG       LEU   5  56.407   4.448 107.269
 1727   HD11  LEU   5          HD11      LEU   5  58.195   5.364 108.605
 1728   HD12  LEU   5          HD12      LEU   5  57.391   4.067 109.481
 1729   HD13  LEU   5          HD13      LEU   5  57.078   5.740 109.913
 1730   HD21  LEU   5          HD21      LEU   5  54.940   3.446 108.762
 1731   HD22  LEU   5          HD22      LEU   5  53.996   4.794 108.162
 1732   HD23  LEU   5          HD23      LEU   5  54.767   4.890 109.735
 1733    H    ILE   6           HN       ILE   6  53.749   6.479 110.310
 1734    HA   ILE   6           HA       ILE   6  55.475   7.791 112.317
 1735    HB   ILE   6           HB       ILE   6  52.982   6.144 112.789
 1736   HG12  ILE   6          HG12      ILE   6  52.455   8.039 111.299
 1737   HG13  ILE   6          HG11      ILE   6  51.751   8.274 112.895
 1738   HG21  ILE   6          HG21      ILE   6  52.969   7.384 114.931
 1739   HG22  ILE   6          HG22      ILE   6  54.473   8.177 114.460
 1740   HG23  ILE   6          HG23      ILE   6  54.439   6.434 114.718
 1741   HD11  ILE   6          HD11      ILE   6  53.821   9.669 113.437
 1742   HD12  ILE   6          HD12      ILE   6  52.704  10.361 112.269
 1743   HD13  ILE   6          HD13      ILE   6  54.192   9.605 111.715
 1744    H    LEU   7           HN       LEU   7  56.884   6.681 113.459
 1745    HA   LEU   7           HA       LEU   7  57.193   3.826 112.884
 1746    HB2  LEU   7           HB2      LEU   7  58.929   5.913 114.196
 1747    HB3  LEU   7           HB1      LEU   7  59.287   4.202 114.380
 1748    HG   LEU   7           HG       LEU   7  59.011   4.282 111.674
 1749   HD11  LEU   7          HD11      LEU   7  58.539   6.700 111.632
 1750   HD12  LEU   7          HD12      LEU   7  60.067   6.342 110.828
 1751   HD13  LEU   7          HD13      LEU   7  60.065   7.013 112.459
 1752   HD21  LEU   7          HD21      LEU   7  61.492   5.114 113.199
 1753   HD22  LEU   7          HD22      LEU   7  61.460   4.450 111.567
 1754   HD23  LEU   7          HD23      LEU   7  60.966   3.452 112.935
 1755    H    ASN   8           HN       ASN   8  56.121   2.478 114.085
 1756    HA   ASN   8           HA       ASN   8  56.149   2.792 117.011
 1757    HB2  ASN   8           HB2      ASN   8  53.796   1.660 116.798
 1758    HB3  ASN   8           HB1      ASN   8  53.935   3.403 116.587
 1759   HD21  ASN   8          HD21      ASN   8  52.366   0.863 115.246
 1760   HD22  ASN   8          HD22      ASN   8  52.317   1.360 113.623
 1761    H    GLY   9           HN       GLY   9  57.900   1.314 116.932
 1762    HA2  GLY   9           HA2      GLY   9  57.155  -1.455 116.154
 1763    HA3  GLY   9           HA1      GLY   9  58.773  -0.802 115.938
 1764    H    LYS  10           HN       LYS  10  59.595  -2.523 117.213
 1765    HA   LYS  10           HA       LYS  10  58.742  -2.875 119.913
 1766    HB2  LYS  10           HB2      LYS  10  61.450  -3.743 118.896
 1767    HB3  LYS  10           HB1      LYS  10  60.417  -4.520 120.097
 1768    HG2  LYS  10           HG2      LYS  10  58.717  -4.732 118.086
 1769    HG3  LYS  10           HG1      LYS  10  60.156  -4.511 117.094
 1770    HD2  LYS  10           HD2      LYS  10  61.231  -6.409 118.326
 1771    HD3  LYS  10           HD1      LYS  10  59.704  -6.674 119.168
 1772    HE2  LYS  10           HE2      LYS  10  58.572  -7.025 116.998
 1773    HE3  LYS  10           HE1      LYS  10  60.105  -6.780 116.163
 1774    HZ1  LYS  10           HZ1      LYS  10  59.223  -9.165 116.901
 1775    HZ2  LYS  10           HZ2      LYS  10  60.098  -8.755 118.298
 1776    HZ3  LYS  10           HZ3      LYS  10  60.873  -8.789 116.786
 1777    H    THR  11           HN       THR  11  61.681  -1.264 118.513
 1778    HA   THR  11           HA       THR  11  61.726   0.444 120.930
 1779    HB   THR  11           HB       THR  11  64.260   0.367 120.733
 1780    HG1  THR  11           HG1      THR  11  63.891  -2.108 119.495
 1781   HG21  THR  11          HG21      THR  11  62.653  -2.086 121.461
 1782   HG22  THR  11          HG22      THR  11  63.102  -0.753 122.523
 1783   HG23  THR  11          HG23      THR  11  64.342  -1.847 121.911
 1784    H    LEU  12           HN       LEU  12  61.698   0.234 117.545
 1785    HA   LEU  12           HA       LEU  12  63.039   2.772 117.127
 1786    HB2  LEU  12           HB2      LEU  12  62.606   0.469 115.574
 1787    HB3  LEU  12           HB1      LEU  12  61.578   1.681 114.818
 1788    HG   LEU  12           HG       LEU  12  64.550   1.877 115.355
 1789   HD11  LEU  12          HD11      LEU  12  64.752   1.966 112.956
 1790   HD12  LEU  12          HD12      LEU  12  63.005   2.037 112.759
 1791   HD13  LEU  12          HD13      LEU  12  63.769   0.562 113.358
 1792   HD21  LEU  12          HD21      LEU  12  63.868   4.106 113.860
 1793   HD22  LEU  12          HD22      LEU  12  64.148   4.104 115.595
 1794   HD23  LEU  12          HD23      LEU  12  62.506   3.986 114.973
 1795    H    LYS  13           HN       LYS  13  61.946   4.583 117.656
 1796    HA   LYS  13           HA       LYS  13  59.199   4.875 116.623
 1797    HB2  LYS  13           HB2      LYS  13  60.078   5.393 119.472
 1798    HB3  LYS  13           HB1      LYS  13  58.648   6.142 118.779
 1799    HG2  LYS  13           HG2      LYS  13  57.548   4.281 119.536
 1800    HG3  LYS  13           HG1      LYS  13  58.207   3.499 118.107
 1801    HD2  LYS  13           HD2      LYS  13  60.309   3.117 119.749
 1802    HD3  LYS  13           HD1      LYS  13  59.051   3.252 120.977
 1803    HE2  LYS  13           HE2      LYS  13  59.108   0.946 120.478
 1804    HE3  LYS  13           HE1      LYS  13  57.749   1.541 119.522
 1805    HZ1  LYS  13           HZ1      LYS  13  58.849   1.227 117.600
 1806    HZ2  LYS  13           HZ2      LYS  13  59.753   0.111 118.506
 1807    HZ3  LYS  13           HZ3      LYS  13  60.347   1.678 118.245
 1808    H    GLY  14           HN       GLY  14  58.735   6.774 115.778
 1809    HA2  GLY  14           HA2      GLY  14  59.720   9.285 116.383
 1810    HA3  GLY  14           HA1      GLY  14  60.811   8.620 115.164
 1811    H    GLU  15           HN       GLU  15  60.057  10.237 113.599
 1812    HA   GLU  15           HA       GLU  15  57.437   9.533 112.399
 1813    HB2  GLU  15           HB2      GLU  15  58.647  12.302 112.328
 1814    HB3  GLU  15           HB1      GLU  15  57.050  11.801 111.774
 1815    HG2  GLU  15           HG2      GLU  15  57.947  11.549 114.635
 1816    HG3  GLU  15           HG1      GLU  15  57.125  12.971 114.009
 1817    H    THR  16           HN       THR  16  57.367   9.942 110.056
 1818    HA   THR  16           HA       THR  16  59.950  10.352 108.742
 1819    HB   THR  16           HB       THR  16  58.834   8.113 107.389
 1820    HG1  THR  16           HG1      THR  16  58.797   7.922 110.201
 1821   HG21  THR  16          HG21      THR  16  61.182   8.331 109.271
 1822   HG22  THR  16          HG22      THR  16  61.202   8.602 107.529
 1823   HG23  THR  16          HG23      THR  16  60.891   6.987 108.167
 1824    H    THR  17           HN       THR  17  59.749  11.242 106.716
 1825    HA   THR  17           HA       THR  17  57.092  11.274 105.497
 1826    HB   THR  17           HB       THR  17  58.464  13.926 105.810
 1827    HG1  THR  17           HG1      THR  17  56.458  13.285 107.590
 1828   HG21  THR  17          HG21      THR  17  55.518  13.276 105.770
 1829   HG22  THR  17          HG22      THR  17  56.439  13.412 104.274
 1830   HG23  THR  17          HG23      THR  17  56.313  14.790 105.355
 1831    H    THR  18           HN       THR  18  57.027  12.053 103.359
 1832    HA   THR  18           HA       THR  18  59.487  12.538 101.931
 1833    HB   THR  18           HB       THR  18  59.271  10.007 102.153
 1834    HG1  THR  18           HG1      THR  18  60.035  11.500 100.218
 1835   HG21  THR  18          HG21      THR  18  57.153  10.222 100.035
 1836   HG22  THR  18          HG22      THR  18  56.681  10.241 101.734
 1837   HG23  THR  18          HG23      THR  18  57.552   8.855 101.074
 1838    H    GLU  19           HN       GLU  19  59.080  13.293  99.795
 1839    HA   GLU  19           HA       GLU  19  56.346  14.362  99.403
 1840    HB2  GLU  19           HB2      GLU  19  58.328  15.928  99.512
 1841    HB3  GLU  19           HB1      GLU  19  58.949  15.149  98.061
 1842    HG2  GLU  19           HG2      GLU  19  57.795  16.873  97.042
 1843    HG3  GLU  19           HG1      GLU  19  56.470  15.720  97.155
 1844    H    ALA  20           HN       ALA  20  55.143  13.112  98.085
 1845    HA   ALA  20           HA       ALA  20  56.287  12.201  95.529
 1846    HB1  ALA  20           HB1      ALA  20  54.674  10.321  97.255
 1847    HB2  ALA  20           HB2      ALA  20  56.438  10.367  97.306
 1848    HB3  ALA  20           HB3      ALA  20  55.611   9.952  95.808
 1849    H    VAL  21           HN       VAL  21  54.674  11.565  93.975
 1850    HA   VAL  21           HA       VAL  21  52.389  13.281  93.989
 1851    HB   VAL  21           HB       VAL  21  53.224  12.891  91.835
 1852   HG11  VAL  21          HG11      VAL  21  53.682  10.516  91.030
 1853   HG12  VAL  21          HG12      VAL  21  53.493  10.004  92.701
 1854   HG13  VAL  21          HG13      VAL  21  54.778  11.126  92.266
 1855   HG21  VAL  21          HG21      VAL  21  51.175  10.665  91.929
 1856   HG22  VAL  21          HG22      VAL  21  51.482  11.820  90.633
 1857   HG23  VAL  21          HG23      VAL  21  50.704  12.354  92.123
 1858    H    ASP  22           HN       ASP  22  52.972   9.813  94.359
 1859    HA   ASP  22           HA       ASP  22  50.157   9.491  95.271
 1860    HB2  ASP  22           HB2      ASP  22  51.988   7.519  93.909
 1861    HB3  ASP  22           HB1      ASP  22  50.421   7.108  94.605
 1862    H    ALA  23           HN       ALA  23  49.736   7.999  96.909
 1863    HA   ALA  23           HA       ALA  23  51.668   8.054  99.035
 1864    HB1  ALA  23           HB1      ALA  23  49.306   6.287  99.337
 1865    HB2  ALA  23           HB2      ALA  23  48.931   7.958  98.926
 1866    HB3  ALA  23           HB3      ALA  23  49.874   7.601 100.370
 1867    H    ALA  24           HN       ALA  24  50.242   5.554  96.961
 1868    HA   ALA  24           HA       ALA  24  51.541   3.326  98.076
 1869    HB1  ALA  24           HB1      ALA  24  49.711   3.030  96.494
 1870    HB2  ALA  24           HB2      ALA  24  51.155   2.248  95.849
 1871    HB3  ALA  24           HB3      ALA  24  50.644   3.813  95.219
 1872    H    THR  25           HN       THR  25  52.742   5.696  95.547
 1873    HA   THR  25           HA       THR  25  55.100   4.207  94.949
 1874    HB   THR  25           HB       THR  25  53.934   6.239  93.669
 1875    HG1  THR  25           HG1      THR  25  56.462   6.585  93.132
 1876   HG21  THR  25          HG21      THR  25  54.682   7.809  95.645
 1877   HG22  THR  25          HG22      THR  25  54.863   8.372  93.989
 1878   HG23  THR  25          HG23      THR  25  56.259   7.743  94.865
 1879    H    ALA  26           HN       ALA  26  54.291   6.665  97.350
 1880    HA   ALA  26           HA       ALA  26  56.955   7.127  98.255
 1881    HB1  ALA  26           HB1      ALA  26  55.532   7.937 100.365
 1882    HB2  ALA  26           HB2      ALA  26  54.202   7.799  99.219
 1883    HB3  ALA  26           HB3      ALA  26  55.557   8.870  98.871
 1884    H    GLU  27           HN       GLU  27  54.405   4.924  99.139
 1885    HA   GLU  27           HA       GLU  27  55.404   3.936 101.552
 1886    HB2  GLU  27           HB2      GLU  27  53.555   2.619 101.471
 1887    HB3  GLU  27           HB1      GLU  27  53.183   3.451  99.966
 1888    HG2  GLU  27           HG2      GLU  27  54.467   1.693  98.731
 1889    HG3  GLU  27           HG1      GLU  27  54.693   0.837 100.242
 1890    H    LYS  28           HN       LYS  28  56.337   3.238  98.272
 1891    HA   LYS  28           HA       LYS  28  57.604   0.775  98.563
 1892    HB2  LYS  28           HB2      LYS  28  58.558   3.177  96.968
 1893    HB3  LYS  28           HB1      LYS  28  59.104   1.520  96.736
 1894    HG2  LYS  28           HG2      LYS  28  56.619   0.952  96.379
 1895    HG3  LYS  28           HG1      LYS  28  56.373   2.684  96.200
 1896    HD2  LYS  28           HD2      LYS  28  58.148   0.888  94.515
 1897    HD3  LYS  28           HD1      LYS  28  56.711   1.767  93.988
 1898    HE2  LYS  28           HE2      LYS  28  57.967   3.915  94.694
 1899    HE3  LYS  28           HE1      LYS  28  59.409   2.914  94.777
 1900    HZ1  LYS  28           HZ1      LYS  28  57.865   2.754  92.231
 1901    HZ2  LYS  28           HZ2      LYS  28  59.548   2.748  92.455
 1902    HZ3  LYS  28           HZ3      LYS  28  58.691   4.214  92.502
 1903    H    VAL  29           HN       VAL  29  58.812   4.041  99.245
 1904    HA   VAL  29           HA       VAL  29  61.393   3.172 100.108
 1905    HB   VAL  29           HB       VAL  29  59.997   5.742 100.862
 1906   HG11  VAL  29          HG11      VAL  29  62.112   5.243 102.033
 1907   HG12  VAL  29          HG12      VAL  29  62.313   6.595 100.919
 1908   HG13  VAL  29          HG13      VAL  29  62.913   4.995 100.483
 1909   HG21  VAL  29          HG21      VAL  29  61.554   5.036  98.354
 1910   HG22  VAL  29          HG22      VAL  29  61.047   6.666  98.800
 1911   HG23  VAL  29          HG23      VAL  29  59.837   5.435  98.435
 1912    H    PHE  30           HN       PHE  30  58.513   4.298 101.883
 1913    HA   PHE  30           HA       PHE  30  59.500   3.947 104.468
 1914    HB2  PHE  30           HB2      PHE  30  56.663   3.821 103.490
 1915    HB3  PHE  30           HB1      PHE  30  57.130   3.922 105.173
 1916    HD1  PHE  30           HD1      PHE  30  59.238   5.944 105.309
 1917    HD2  PHE  30           HD2      PHE  30  55.730   5.844 102.815
 1918    HE1  PHE  30           HE1      PHE  30  59.289   8.403 105.123
 1919    HE2  PHE  30           HE2      PHE  30  55.789   8.303 102.650
 1920    HZ   PHE  30           HZ       PHE  30  57.566   9.585 103.799
 1921    H    LYS  31           HN       LYS  31  57.594   1.646 102.480
 1922    HA   LYS  31           HA       LYS  31  57.442  -0.230 104.638
 1923    HB2  LYS  31           HB2      LYS  31  56.607  -0.124 101.812
 1924    HB3  LYS  31           HB1      LYS  31  56.919  -1.733 102.416
 1925    HG2  LYS  31           HG2      LYS  31  55.252  -1.561 104.068
 1926    HG3  LYS  31           HG1      LYS  31  55.222   0.184 103.988
 1927    HD2  LYS  31           HD2      LYS  31  53.779   0.238 102.224
 1928    HD3  LYS  31           HD1      LYS  31  54.557  -1.113 101.413
 1929    HE2  LYS  31           HE2      LYS  31  53.201  -2.173 103.713
 1930    HE3  LYS  31           HE1      LYS  31  52.086  -1.119 102.848
 1931    HZ1  LYS  31           HZ1      LYS  31  53.706  -2.723 101.112
 1932    HZ2  LYS  31           HZ2      LYS  31  52.026  -2.474 101.115
 1933    HZ3  LYS  31           HZ3      LYS  31  52.716  -3.645 102.134
 1934    H    GLN  32           HN       GLN  32  59.611   0.216 101.903
 1935    HA   GLN  32           HA       GLN  32  61.084  -2.204 102.371
 1936    HB2  GLN  32           HB2      GLN  32  61.002  -1.016 100.180
 1937    HB3  GLN  32           HB1      GLN  32  61.910   0.310 100.906
 1938    HG2  GLN  32           HG2      GLN  32  63.743  -1.274 101.457
 1939    HG3  GLN  32           HG1      GLN  32  62.843  -2.564 100.664
 1940   HE21  GLN  32          HE21      GLN  32  63.568  -2.945  98.534
 1941   HE22  GLN  32          HE22      GLN  32  64.174  -1.744  97.497
 1942    H    TYR  33           HN       TYR  33  61.217   1.130 103.390
 1943    HA   TYR  33           HA       TYR  33  63.790   1.138 104.550
 1944    HB2  TYR  33           HB2      TYR  33  62.803   3.215 104.012
 1945    HB3  TYR  33           HB1      TYR  33  61.309   2.788 104.837
 1946    HD1  TYR  33           HD2      TYR  33  64.841   3.732 105.316
 1947    HD2  TYR  33           HD1      TYR  33  61.048   3.020 107.205
 1948    HE1  TYR  33           HE2      TYR  33  65.695   4.740 107.415
 1949    HE2  TYR  33           HE1      TYR  33  61.903   4.029 109.302
 1950    HH   TYR  33           HH       TYR  33  64.099   4.426 110.387
 1951    H    ALA  34           HN       ALA  34  60.554   0.437 105.826
 1952    HA   ALA  34           HA       ALA  34  61.203   0.360 108.550
 1953    HB1  ALA  34           HB1      ALA  34  59.184  -1.615 107.633
 1954    HB2  ALA  34           HB2      ALA  34  58.908   0.042 107.099
 1955    HB3  ALA  34           HB3      ALA  34  59.030  -0.316 108.819
 1956    H    ASN  35           HN       ASN  35  61.552  -2.176 106.008
 1957    HA   ASN  35           HA       ASN  35  62.238  -4.230 107.857
 1958    HB2  ASN  35           HB2      ASN  35  61.468  -4.287 105.315
 1959    HB3  ASN  35           HB1      ASN  35  63.202  -4.241 105.015
 1960   HD21  ASN  35          HD21      ASN  35  64.183  -6.349 104.965
 1961   HD22  ASN  35          HD22      ASN  35  63.556  -7.707 105.765
 1962    H    ASP  36           HN       ASP  36  64.037  -1.929 105.846
 1963    HA   ASP  36           HA       ASP  36  66.633  -2.864 106.451
 1964    HB2  ASP  36           HB2      ASP  36  65.991  -0.023 105.710
 1965    HB3  ASP  36           HB1      ASP  36  67.393  -0.996 105.263
 1966    H    ASN  37           HN       ASN  37  64.470  -0.744 108.259
 1967    HA   ASN  37           HA       ASN  37  66.710   0.246 109.866
 1968    HB2  ASN  37           HB2      ASN  37  65.209   1.835 110.718
 1969    HB3  ASN  37           HB1      ASN  37  64.833   1.691 109.010
 1970   HD21  ASN  37          HD21      ASN  37  62.756   2.725 110.342
 1971   HD22  ASN  37          HD22      ASN  37  61.555   1.569 110.667
 1972    H    GLY  38           HN       GLY  38  64.152  -2.182 110.137
 1973    HA2  GLY  38           HA2      GLY  38  64.815  -3.933 111.808
 1974    HA3  GLY  38           HA1      GLY  38  64.967  -2.628 112.967
 1975    H    VAL  39           HN       VAL  39  62.367  -1.432 111.652
 1976    HA   VAL  39           HA       VAL  39  60.542  -3.102 113.292
 1977    HB   VAL  39           HB       VAL  39  60.555  -0.924 114.168
 1978   HG11  VAL  39          HG11      VAL  39  61.768   0.138 112.309
 1979   HG12  VAL  39          HG12      VAL  39  60.386   1.103 112.803
 1980   HG13  VAL  39          HG13      VAL  39  60.302   0.124 111.339
 1981   HG21  VAL  39          HG21      VAL  39  58.261  -0.817 112.194
 1982   HG22  VAL  39          HG22      VAL  39  58.333  -0.073 113.786
 1983   HG23  VAL  39          HG23      VAL  39  58.249  -1.827 113.635
 1984    H    ASP  40           HN       ASP  40  59.488  -4.539 112.128
 1985    HA   ASP  40           HA       ASP  40  58.076  -3.656 109.671
 1986    HB2  ASP  40           HB2      ASP  40  60.114  -5.250 109.352
 1987    HB3  ASP  40           HB1      ASP  40  59.067  -6.482 110.050
 1988    H    GLY  41           HN       GLY  41  55.894  -3.589 110.292
 1989    HA2  GLY  41           HA2      GLY  41  54.838  -6.001 111.648
 1990    HA3  GLY  41           HA1      GLY  41  54.552  -4.430 112.379
 1991    H    GLU  42           HN       GLU  42  52.218  -4.731 112.158
 1992    HA   GLU  42           HA       GLU  42  51.092  -5.165 109.589
 1993    HB2  GLU  42           HB2      GLU  42  49.533  -3.965 111.857
 1994    HB3  GLU  42           HB1      GLU  42  49.028  -5.149 110.656
 1995    HG2  GLU  42           HG2      GLU  42  50.893  -5.618 112.996
 1996    HG3  GLU  42           HG1      GLU  42  49.279  -6.288 112.775
 1997    H    TRP  43           HN       TRP  43  50.238  -3.693 108.218
 1998    HA   TRP  43           HA       TRP  43  51.040  -0.893 108.660
 1999    HB2  TRP  43           HB2      TRP  43  50.646  -2.558 106.179
 2000    HB3  TRP  43           HB1      TRP  43  50.884  -0.810 106.142
 2001    HD1  TRP  43           HD1      TRP  43  52.739  -4.060 107.120
 2002    HE1  TRP  43           HE1      TRP  43  55.250  -3.519 107.304
 2003    HE3  TRP  43           HE3      TRP  43  52.578   0.964 106.433
 2004    HZ2  TRP  43           HZ2      TRP  43  56.961  -1.247 107.132
 2005    HZ3  TRP  43           HZ3      TRP  43  54.649   2.291 106.430
 2006    HH2  TRP  43           HH2      TRP  43  56.845   1.204 106.776
 2007    H    THR  44           HN       THR  44  49.854   0.700 107.690
 2008    HA   THR  44           HA       THR  44  47.074   0.344 107.001
 2009    HB   THR  44           HB       THR  44  46.846   0.390 109.423
 2010    HG1  THR  44           HG1      THR  44  46.210   2.659 107.936
 2011   HG21  THR  44          HG21      THR  44  48.829   2.656 109.204
 2012   HG22  THR  44          HG22      THR  44  48.857   1.249 110.265
 2013   HG23  THR  44          HG23      THR  44  47.718   2.559 110.569
 2014    H    TYR  45           HN       TYR  45  46.192   2.499 106.227
 2015    HA   TYR  45           HA       TYR  45  48.141   4.636 105.956
 2016    HB2  TYR  45           HB2      TYR  45  48.884   3.423 104.078
 2017    HB3  TYR  45           HB1      TYR  45  47.248   2.973 103.612
 2018    HD1  TYR  45           HD1      TYR  45  48.985   6.214 104.450
 2019    HD2  TYR  45           HD2      TYR  45  46.532   4.045 101.669
 2020    HE1  TYR  45           HE1      TYR  45  48.828   8.222 103.011
 2021    HE2  TYR  45           HE2      TYR  45  46.377   6.055 100.233
 2022    HH   TYR  45           HH       TYR  45  47.230   8.103  99.854
 2023    H    ASP  46           HN       ASP  46  47.073   6.417 106.328
 2024    HA   ASP  46           HA       ASP  46  44.213   6.540 105.628
 2025    HB2  ASP  46           HB2      ASP  46  44.717   7.191 107.939
 2026    HB3  ASP  46           HB1      ASP  46  45.902   8.377 107.364
 2027    H    ASP  47           HN       ASP  47  43.864   7.319 103.560
 2028    HA   ASP  47           HA       ASP  47  45.848   9.010 102.276
 2029    HB2  ASP  47           HB2      ASP  47  44.471   7.121 101.167
 2030    HB3  ASP  47           HB1      ASP  47  43.154   8.290 101.133
 2031    H    ALA  48           HN       ALA  48  43.237   9.474 104.286
 2032    HA   ALA  48           HA       ALA  48  42.259  11.941 103.143
 2033    HB1  ALA  48           HB1      ALA  48  41.844  11.062 105.992
 2034    HB2  ALA  48           HB2      ALA  48  41.003  10.258 104.668
 2035    HB3  ALA  48           HB3      ALA  48  40.760  11.982 104.948
 2036    H    THR  49           HN       THR  49  44.837  10.975 105.333
 2037    HA   THR  49           HA       THR  49  45.515  13.823 105.801
 2038    HB   THR  49           HB       THR  49  46.594  12.866 108.001
 2039    HG1  THR  49           HG1      THR  49  44.566  11.132 108.289
 2040   HG21  THR  49          HG21      THR  49  44.746  14.461 108.004
 2041   HG22  THR  49          HG22      THR  49  44.478  13.223 109.231
 2042   HG23  THR  49          HG23      THR  49  43.597  13.158 107.705
 2043    H    LYS  50           HN       LYS  50  46.347  11.364 103.960
 2044    HA   LYS  50           HA       LYS  50  48.319  10.476 103.143
 2045    HB2  LYS  50           HB2      LYS  50  49.598  13.102 103.884
 2046    HB3  LYS  50           HB1      LYS  50  49.863  12.109 102.454
 2047    HG2  LYS  50           HG2      LYS  50  47.274  13.585 103.049
 2048    HG3  LYS  50           HG1      LYS  50  48.542  14.182 101.984
 2049    HD2  LYS  50           HD2      LYS  50  48.310  12.143 100.594
 2050    HD3  LYS  50           HD1      LYS  50  46.982  11.608 101.621
 2051    HE2  LYS  50           HE2      LYS  50  45.603  13.425 100.957
 2052    HE3  LYS  50           HE1      LYS  50  46.961  14.293 100.239
 2053    HZ1  LYS  50           HZ1      LYS  50  45.282  12.324  99.077
 2054    HZ2  LYS  50           HZ2      LYS  50  46.906  11.833  99.005
 2055    HZ3  LYS  50           HZ3      LYS  50  46.436  13.321  98.335
 2056    H    THR  51           HN       THR  51  47.955   9.520 105.691
 2057    HA   THR  51           HA       THR  51  50.692   9.670 106.842
 2058    HB   THR  51           HB       THR  51  48.085   9.702 108.389
 2059    HG1  THR  51           HG1      THR  51  49.175  11.657 109.184
 2060   HG21  THR  51          HG21      THR  51  49.733   9.913 110.366
 2061   HG22  THR  51          HG22      THR  51  50.952   9.283 109.259
 2062   HG23  THR  51          HG23      THR  51  49.538   8.308 109.660
 2063    H    PHE  52           HN       PHE  52  51.710   7.723 107.108
 2064    HA   PHE  52           HA       PHE  52  50.129   5.226 107.025
 2065    HB2  PHE  52           HB2      PHE  52  53.008   5.899 106.416
 2066    HB3  PHE  52           HB1      PHE  52  52.410   4.243 106.519
 2067    HD1  PHE  52           HD2      PHE  52  51.795   7.515 104.796
 2068    HD2  PHE  52           HD1      PHE  52  51.450   3.234 104.648
 2069    HE1  PHE  52           HE2      PHE  52  51.086   7.641 102.421
 2070    HE2  PHE  52           HE1      PHE  52  50.752   3.369 102.278
 2071    HZ   PHE  52           HZ       PHE  52  50.573   5.565 101.166
 2072    H    THR  53           HN       THR  53  50.880   3.481 108.521
 2073    HA   THR  53           HA       THR  53  52.733   4.236 110.627
 2074    HB   THR  53           HB       THR  53  51.316   3.967 112.516
 2075    HG1  THR  53           HG1      THR  53  49.215   3.305 112.350
 2076   HG21  THR  53          HG21      THR  53  49.732   5.646 110.551
 2077   HG22  THR  53          HG22      THR  53  51.136   6.202 111.444
 2078   HG23  THR  53          HG23      THR  53  49.676   5.759 112.308
 2079    H    VAL  54           HN       VAL  54  53.944   2.386 111.204
 2080    HA   VAL  54           HA       VAL  54  52.759  -0.246 110.479
 2081    HB   VAL  54           HB       VAL  54  54.751   0.349 109.151
 2082   HG11  VAL  54          HG11      VAL  54  56.282   0.270 111.755
 2083   HG12  VAL  54          HG12      VAL  54  55.741   1.772 111.016
 2084   HG13  VAL  54          HG13      VAL  54  56.883   0.732 110.166
 2085   HG21  VAL  54          HG21      VAL  54  55.953  -1.731 109.498
 2086   HG22  VAL  54          HG22      VAL  54  54.250  -2.039 109.840
 2087   HG23  VAL  54          HG23      VAL  54  55.392  -1.834 111.168
 2088    H    THR  55           HN       THR  55  52.308  -1.597 112.140
 2089    HA   THR  55           HA       THR  55  53.694  -1.195 114.732
 2090    HB   THR  55           HB       THR  55  51.196  -0.442 114.490
 2091    HG1  THR  55           HG1      THR  55  52.674  -1.458 116.446
 2092   HG21  THR  55          HG21      THR  55  50.755  -3.371 115.105
 2093   HG22  THR  55          HG22      THR  55  50.554  -2.705 113.487
 2094   HG23  THR  55          HG23      THR  55  49.540  -2.128 114.805
 2095    H    GLU  56           HN       GLU  56  54.866  -2.927 115.382
 2096    HA   GLU  56           HA       GLU  56  54.119  -5.608 114.360
 2097    HB2  GLU  56           HB2      GLU  56  56.583  -6.042 115.291
 2098    HB3  GLU  56           HB1      GLU  56  56.323  -5.337 113.697
 2099    HG2  GLU  56           HG2      GLU  56  56.572  -3.084 114.618
 2100    HG3  GLU  56           HG1      GLU  56  56.782  -3.753 116.236
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  52.149  -1.908  99.671
    2    H2   MET   1           HT2      MET   1  53.516  -1.009 100.119
    3    H3   MET   1           HT3      MET   1  53.599  -2.702 100.046
    4    HA   MET   1           HA       MET   1  53.026  -0.998  97.713
    5    HB2  MET   1           HB2      MET   1  55.231  -0.488  97.612
    6    HB3  MET   1           HB1      MET   1  55.445  -1.237  99.172
    7    HG2  MET   1           HG2      MET   1  55.666  -3.477  97.872
    8    HG3  MET   1           HG1      MET   1  55.844  -2.465  96.437
    9    HE1  MET   1           HE1      MET   1  58.400  -3.069 100.057
   10    HE2  MET   1           HE2      MET   1  56.644  -3.082  99.925
   11    HE3  MET   1           HE3      MET   1  57.495  -1.569 100.199
   12    H    GLN   2           HN       GLN   2  53.836  -2.418  95.763
   13    HA   GLN   2           HA       GLN   2  52.801  -5.169  96.168
   14    HB2  GLN   2           HB2      GLN   2  52.278  -3.236  93.897
   15    HB3  GLN   2           HB1      GLN   2  51.863  -4.948  93.851
   16    HG2  GLN   2           HG2      GLN   2  50.358  -4.693  95.736
   17    HG3  GLN   2           HG1      GLN   2  50.866  -3.020  95.966
   18   HE21  GLN   2          HE21      GLN   2  50.878  -2.880  92.726
   19   HE22  GLN   2          HE22      GLN   2  49.238  -2.607  92.383
   20    H    TYR   3           HN       TYR   3  53.842  -6.782  95.167
   21    HA   TYR   3           HA       TYR   3  56.197  -6.100  93.508
   22    HB2  TYR   3           HB2      TYR   3  55.814  -8.673  95.015
   23    HB3  TYR   3           HB1      TYR   3  57.290  -8.022  94.292
   24    HD1  TYR   3           HD2      TYR   3  54.790  -7.536  96.977
   25    HD2  TYR   3           HD1      TYR   3  58.675  -6.488  95.471
   26    HE1  TYR   3           HE2      TYR   3  55.324  -6.420  99.123
   27    HE2  TYR   3           HE1      TYR   3  59.207  -5.376  97.622
   28    HH   TYR   3           HH       TYR   3  58.550  -5.196  99.803
   29    H    LYS   4           HN       LYS   4  56.511  -7.372  91.674
   30    HA   LYS   4           HA       LYS   4  54.107  -8.908  90.802
   31    HB2  LYS   4           HB2      LYS   4  54.448  -6.675  89.706
   32    HB3  LYS   4           HB1      LYS   4  55.981  -7.271  89.079
   33    HG2  LYS   4           HG2      LYS   4  54.801  -9.067  87.871
   34    HG3  LYS   4           HG1      LYS   4  53.258  -8.493  88.509
   35    HD2  LYS   4           HD2      LYS   4  53.451  -6.394  87.339
   36    HD3  LYS   4           HD1      LYS   4  55.124  -6.725  86.896
   37    HE2  LYS   4           HE2      LYS   4  53.937  -7.227  84.928
   38    HE3  LYS   4           HE1      LYS   4  54.153  -8.809  85.673
   39    HZ1  LYS   4           HZ1      LYS   4  51.889  -8.564  84.994
   40    HZ2  LYS   4           HZ2      LYS   4  51.741  -7.088  85.823
   41    HZ3  LYS   4           HZ3      LYS   4  51.941  -8.536  86.688
   42    H    LEU   5           HN       LEU   5  54.456 -10.992  90.258
   43    HA   LEU   5           HA       LEU   5  57.230 -11.846  89.683
   44    HB2  LEU   5           HB2      LEU   5  56.251 -12.954  91.643
   45    HB3  LEU   5           HB1      LEU   5  54.875 -13.448  90.692
   46    HG   LEU   5           HG       LEU   5  56.798 -15.160  91.228
   47   HD11  LEU   5          HD11      LEU   5  54.913 -15.787  89.905
   48   HD12  LEU   5          HD12      LEU   5  56.370 -16.367  89.105
   49   HD13  LEU   5          HD13      LEU   5  55.543 -14.943  88.493
   50   HD21  LEU   5          HD21      LEU   5  58.558 -13.582  90.134
   51   HD22  LEU   5          HD22      LEU   5  57.963 -14.242  88.619
   52   HD23  LEU   5          HD23      LEU   5  58.647 -15.307  89.828
   53    H    ILE   6           HN       ILE   6  57.732 -12.571  87.768
   54    HA   ILE   6           HA       ILE   6  55.628 -12.766  85.710
   55    HB   ILE   6           HB       ILE   6  58.637 -12.842  85.366
   56   HG12  ILE   6          HG12      ILE   6  58.057 -10.731  86.433
   57   HG13  ILE   6          HG11      ILE   6  58.436 -10.437  84.739
   58   HG21  ILE   6          HG21      ILE   6  57.414 -13.752  83.503
   59   HG22  ILE   6          HG22      ILE   6  58.012 -12.158  83.045
   60   HG23  ILE   6          HG23      ILE   6  56.318 -12.370  83.488
   61   HD11  ILE   6          HD11      ILE   6  55.750 -10.471  86.101
   62   HD12  ILE   6          HD12      ILE   6  55.898 -10.634  84.351
   63   HD13  ILE   6          HD13      ILE   6  56.486  -9.181  85.153
   64    H    LEU   7           HN       LEU   7  55.102 -14.696  84.871
   65    HA   LEU   7           HA       LEU   7  56.475 -17.048  85.956
   66    HB2  LEU   7           HB2      LEU   7  53.977 -16.720  84.290
   67    HB3  LEU   7           HB1      LEU   7  54.687 -18.279  84.649
   68    HG   LEU   7           HG       LEU   7  54.561 -17.068  87.179
   69   HD11  LEU   7          HD11      LEU   7  52.852 -15.478  85.727
   70   HD12  LEU   7          HD12      LEU   7  52.742 -15.786  87.446
   71   HD13  LEU   7          HD13      LEU   7  51.764 -16.714  86.343
   72   HD21  LEU   7          HD21      LEU   7  54.036 -19.326  86.998
   73   HD22  LEU   7          HD22      LEU   7  52.845 -19.063  85.743
   74   HD23  LEU   7          HD23      LEU   7  52.484 -18.611  87.402
   75    H    ASN   8           HN       ASN   8  58.128 -17.849  84.947
   76    HA   ASN   8           HA       ASN   8  58.110 -18.072  82.016
   77    HB2  ASN   8           HB2      ASN   8  59.591 -16.192  82.600
   78    HB3  ASN   8           HB1      ASN   8  60.457 -17.225  83.734
   79   HD21  ASN   8          HD21      ASN   8  62.464 -16.990  82.467
   80   HD22  ASN   8          HD22      ASN   8  62.651 -17.802  80.987
   81    H    GLY   9           HN       GLY   9  57.390 -20.231  82.447
   82    HA2  GLY   9           HA2      GLY   9  59.467 -21.988  83.658
   83    HA3  GLY   9           HA1      GLY   9  57.742 -22.273  83.845
   84    H    LYS  10           HN       LYS  10  58.197 -24.394  82.952
   85    HA   LYS  10           HA       LYS  10  59.150 -24.671  80.292
   86    HB2  LYS  10           HB2      LYS  10  57.364 -26.618  81.783
   87    HB3  LYS  10           HB1      LYS  10  58.500 -26.981  80.476
   88    HG2  LYS  10           HG2      LYS  10  60.348 -26.078  81.930
   89    HG3  LYS  10           HG1      LYS  10  59.189 -25.957  83.247
   90    HD2  LYS  10           HD2      LYS  10  59.617 -28.561  81.789
   91    HD3  LYS  10           HD1      LYS  10  60.670 -28.078  83.117
   92    HE2  LYS  10           HE2      LYS  10  58.648 -27.807  84.565
   93    HE3  LYS  10           HE1      LYS  10  57.660 -28.424  83.242
   94    HZ1  LYS  10           HZ1      LYS  10  59.018 -29.895  85.147
   95    HZ2  LYS  10           HZ2      LYS  10  59.866 -30.130  83.694
   96    HZ3  LYS  10           HZ3      LYS  10  58.207 -30.485  83.778
   97    H    THR  11           HN       THR  11  55.791 -24.666  81.647
   98    HA   THR  11           HA       THR  11  54.986 -23.439  79.167
   99    HB   THR  11           HB       THR  11  52.874 -25.135  80.252
  100    HG1  THR  11           HG1      THR  11  54.392 -26.635  80.724
  101   HG21  THR  11          HG21      THR  11  52.789 -25.649  77.871
  102   HG22  THR  11          HG22      THR  11  54.348 -24.904  77.643
  103   HG23  THR  11          HG23      THR  11  52.959 -23.924  78.128
  104    H    LEU  12           HN       LEU  12  55.201 -23.151  82.490
  105    HA   LEU  12           HA       LEU  12  52.661 -21.770  82.592
  106    HB2  LEU  12           HB2      LEU  12  54.576 -22.610  84.601
  107    HB3  LEU  12           HB1      LEU  12  54.121 -20.931  84.863
  108    HG   LEU  12           HG       LEU  12  52.348 -23.292  84.679
  109   HD11  LEU  12          HD11      LEU  12  53.141 -21.501  86.889
  110   HD12  LEU  12          HD12      LEU  12  53.134 -23.264  86.819
  111   HD13  LEU  12          HD13      LEU  12  51.620 -22.386  86.963
  112   HD21  LEU  12          HD21      LEU  12  51.224 -20.631  85.362
  113   HD22  LEU  12          HD22      LEU  12  50.399 -21.972  84.684
  114   HD23  LEU  12          HD23      LEU  12  51.389 -20.984  83.670
  115    H    LYS  13           HN       LYS  13  52.400 -19.833  81.662
  116    HA   LYS  13           HA       LYS  13  54.453 -17.789  82.211
  117    HB2  LYS  13           HB2      LYS  13  53.498 -18.476  79.425
  118    HB3  LYS  13           HB1      LYS  13  54.308 -16.969  79.827
  119    HG2  LYS  13           HG2      LYS  13  56.241 -18.063  79.359
  120    HG3  LYS  13           HG1      LYS  13  56.039 -18.833  80.925
  121    HD2  LYS  13           HD2      LYS  13  54.517 -20.523  79.503
  122    HD3  LYS  13           HD1      LYS  13  55.519 -19.932  78.176
  123    HE2  LYS  13           HE2      LYS  13  56.679 -21.818  79.021
  124    HE3  LYS  13           HE1      LYS  13  57.522 -20.432  79.717
  125    HZ1  LYS  13           HZ1      LYS  13  55.261 -21.410  81.230
  126    HZ2  LYS  13           HZ2      LYS  13  56.782 -20.900  81.772
  127    HZ3  LYS  13           HZ3      LYS  13  56.578 -22.470  81.160
  128    H    GLY  14           HN       GLY  14  53.641 -15.941  82.746
  129    HA2  GLY  14           HA2      GLY  14  51.589 -14.464  81.648
  130    HA3  GLY  14           HA1      GLY  14  50.853 -15.415  82.912
  131    H    GLU  15           HN       GLU  15  50.486 -13.510  84.351
  132    HA   GLU  15           HA       GLU  15  53.058 -12.602  85.568
  133    HB2  GLU  15           HB2      GLU  15  50.635 -10.822  85.524
  134    HB3  GLU  15           HB1      GLU  15  52.306 -10.411  85.881
  135    HG2  GLU  15           HG2      GLU  15  51.457 -11.424  83.177
  136    HG3  GLU  15           HG1      GLU  15  51.398  -9.722  83.602
  137    H    THR  16           HN       THR  16  52.861 -11.818  87.803
  138    HA   THR  16           HA       THR  16  50.538 -12.745  89.316
  139    HB   THR  16           HB       THR  16  52.644 -13.648  90.916
  140    HG1  THR  16           HG1      THR  16  53.066 -14.162  88.181
  141   HG21  THR  16          HG21      THR  16  51.738 -15.875  90.421
  142   HG22  THR  16          HG22      THR  16  50.852 -15.204  89.052
  143   HG23  THR  16          HG23      THR  16  50.455 -14.697  90.694
  144    H    THR  17           HN       THR  17  50.218 -11.619  91.243
  145    HA   THR  17           HA       THR  17  52.329  -9.772  92.109
  146    HB   THR  17           HB       THR  17  49.602  -8.593  91.656
  147    HG1  THR  17           HG1      THR  17  50.386  -9.526  89.682
  148   HG21  THR  17          HG21      THR  17  50.763  -6.541  91.753
  149   HG22  THR  17          HG22      THR  17  52.315  -7.298  91.421
  150   HG23  THR  17          HG23      THR  17  51.547  -7.508  92.990
  151    H    THR  18           HN       THR  18  51.954  -8.747  94.129
  152    HA   THR  18           HA       THR  18  49.742  -9.582  95.782
  153    HB   THR  18           HB       THR  18  51.453 -11.476  95.851
  154    HG1  THR  18           HG1      THR  18  49.955 -10.440  97.651
  155   HG21  THR  18          HG21      THR  18  53.519 -11.163  96.900
  156   HG22  THR  18          HG22      THR  18  53.015  -9.654  97.660
  157   HG23  THR  18          HG23      THR  18  53.372  -9.693  95.935
  158    H    GLU  19           HN       GLU  19  49.654  -8.388  97.752
  159    HA   GLU  19           HA       GLU  19  51.161  -5.836  97.703
  160    HB2  GLU  19           HB2      GLU  19  48.645  -5.815  97.624
  161    HB3  GLU  19           HB1      GLU  19  48.635  -6.604  99.198
  162    HG2  GLU  19           HG2      GLU  19  48.425  -4.368  99.822
  163    HG3  GLU  19           HG1      GLU  19  50.172  -4.572  99.912
  164    H    ALA  20           HN       ALA  20  52.835  -5.690  99.153
  165    HA   ALA  20           HA       ALA  20  52.489  -6.747 101.850
  166    HB1  ALA  20           HB1      ALA  20  53.944  -8.195  99.807
  167    HB2  ALA  20           HB2      ALA  20  53.648  -8.668 101.475
  168    HB3  ALA  20           HB3      ALA  20  55.067  -7.702 101.073
  169    H    VAL  21           HN       VAL  21  54.251  -6.132 103.269
  170    HA   VAL  21           HA       VAL  21  55.170  -3.451 102.688
  171    HB   VAL  21           HB       VAL  21  54.532  -3.652 104.932
  172   HG11  VAL  21          HG11      VAL  21  55.230  -5.684 106.295
  173   HG12  VAL  21          HG12      VAL  21  55.732  -6.413 104.775
  174   HG13  VAL  21          HG13      VAL  21  54.045  -5.972 105.026
  175   HG21  VAL  21          HG21      VAL  21  56.500  -3.380 106.232
  176   HG22  VAL  21          HG22      VAL  21  57.052  -2.986 104.609
  177   HG23  VAL  21          HG23      VAL  21  57.389  -4.571 105.291
  178    H    ASP  22           HN       ASP  22  56.460  -6.690 103.220
  179    HA   ASP  22           HA       ASP  22  59.138  -5.714 102.402
  180    HB2  ASP  22           HB2      ASP  22  58.317  -8.217 103.859
  181    HB3  ASP  22           HB1      ASP  22  59.963  -7.825 103.369
  182    H    ALA  23           HN       ALA  23  60.372  -6.842 100.977
  183    HA   ALA  23           HA       ALA  23  58.965  -8.001  98.754
  184    HB1  ALA  23           HB1      ALA  23  61.221  -8.314  97.829
  185    HB2  ALA  23           HB2      ALA  23  61.921  -7.831  99.371
  186    HB3  ALA  23           HB3      ALA  23  60.994  -6.671  98.425
  187    H    ALA  24           HN       ALA  24  61.215  -9.179 101.240
  188    HA   ALA  24           HA       ALA  24  61.371 -11.852 100.400
  189    HB1  ALA  24           HB1      ALA  24  62.864 -10.847 102.121
  190    HB2  ALA  24           HB2      ALA  24  62.138 -12.359 102.669
  191    HB3  ALA  24           HB3      ALA  24  61.509 -10.817 103.249
  192    H    THR  25           HN       THR  25  58.860 -10.250 102.544
  193    HA   THR  25           HA       THR  25  57.564 -12.695 103.231
  194    HB   THR  25           HB       THR  25  57.345 -10.271 104.293
  195    HG1  THR  25           HG1      THR  25  54.971 -11.736 104.164
  196   HG21  THR  25          HG21      THR  25  56.134  -9.537 102.026
  197   HG22  THR  25          HG22      THR  25  55.586  -8.909 103.577
  198   HG23  THR  25          HG23      THR  25  54.729 -10.249 102.814
  199    H    ALA  26           HN       ALA  26  57.355 -10.501 100.505
  200    HA   ALA  26           HA       ALA  26  54.899 -11.467  99.435
  201    HB1  ALA  26           HB1      ALA  26  55.776  -9.268  98.828
  202    HB2  ALA  26           HB2      ALA  26  55.606 -10.261  97.385
  203    HB3  ALA  26           HB3      ALA  26  57.196 -10.011  98.097
  204    H    GLU  27           HN       GLU  27  58.234 -12.341  99.067
  205    HA   GLU  27           HA       GLU  27  57.934 -14.079  96.839
  206    HB2  GLU  27           HB2      GLU  27  60.201 -14.140  96.883
  207    HB3  GLU  27           HB1      GLU  27  60.061 -12.919  98.141
  208    HG2  GLU  27           HG2      GLU  27  60.017 -14.763  99.843
  209    HG3  GLU  27           HG1      GLU  27  60.323 -15.907  98.553
  210    H    LYS  28           HN       LYS  28  57.624 -14.572 100.288
  211    HA   LYS  28           HA       LYS  28  57.983 -17.331 100.455
  212    HB2  LYS  28           HB2      LYS  28  55.906 -15.596 101.826
  213    HB3  LYS  28           HB1      LYS  28  56.297 -17.246 102.301
  214    HG2  LYS  28           HG2      LYS  28  58.708 -16.450 102.517
  215    HG3  LYS  28           HG1      LYS  28  58.081 -14.812 102.402
  216    HD2  LYS  28           HD2      LYS  28  57.505 -16.892 104.529
  217    HD3  LYS  28           HD1      LYS  28  58.235 -15.303 104.744
  218    HE2  LYS  28           HE2      LYS  28  56.012 -14.326 103.877
  219    HE3  LYS  28           HE1      LYS  28  55.340 -15.940 104.071
  220    HZ1  LYS  28           HZ1      LYS  28  55.652 -13.938 106.104
  221    HZ2  LYS  28           HZ2      LYS  28  56.651 -15.245 106.529
  222    HZ3  LYS  28           HZ3      LYS  28  54.989 -15.492 106.286
  223    H    VAL  29           HN       VAL  29  55.136 -15.461  99.464
  224    HA   VAL  29           HA       VAL  29  53.482 -17.747  99.020
  225    HB   VAL  29           HB       VAL  29  53.184 -15.019  97.758
  226   HG11  VAL  29          HG11      VAL  29  51.722 -16.865  96.936
  227   HG12  VAL  29          HG12      VAL  29  50.810 -15.602  97.763
  228   HG13  VAL  29          HG13      VAL  29  51.159 -17.121  98.587
  229   HG21  VAL  29          HG21      VAL  29  51.755 -14.543  99.784
  230   HG22  VAL  29          HG22      VAL  29  53.478 -14.670 100.136
  231   HG23  VAL  29          HG23      VAL  29  52.400 -16.014 100.514
  232    H    PHE  30           HN       PHE  30  55.206 -15.552  96.797
  233    HA   PHE  30           HA       PHE  30  54.571 -16.867  94.415
  234    HB2  PHE  30           HB2      PHE  30  56.995 -15.211  95.052
  235    HB3  PHE  30           HB1      PHE  30  56.502 -15.689  93.442
  236    HD1  PHE  30           HD2      PHE  30  53.627 -15.237  93.295
  237    HD2  PHE  30           HD1      PHE  30  56.626 -12.933  95.351
  238    HE1  PHE  30           HE2      PHE  30  52.193 -13.235  93.168
  239    HE2  PHE  30           HE1      PHE  30  55.188 -10.940  95.197
  240    HZ   PHE  30           HZ       PHE  30  52.978 -11.087  94.109
  241    H    LYS  31           HN       LYS  31  57.476 -17.287  96.488
  242    HA   LYS  31           HA       LYS  31  58.658 -19.095  94.620
  243    HB2  LYS  31           HB2      LYS  31  59.280 -18.068  97.314
  244    HB3  LYS  31           HB1      LYS  31  59.954 -19.642  96.959
  245    HG2  LYS  31           HG2      LYS  31  61.215 -18.826  95.153
  246    HG3  LYS  31           HG1      LYS  31  60.225 -17.395  94.981
  247    HD2  LYS  31           HD2      LYS  31  61.353 -16.227  96.581
  248    HD3  LYS  31           HD1      LYS  31  61.531 -17.627  97.628
  249    HE2  LYS  31           HE2      LYS  31  63.229 -18.041  95.344
  250    HE3  LYS  31           HE1      LYS  31  63.516 -16.419  95.968
  251    HZ1  LYS  31           HZ1      LYS  31  64.612 -18.577  97.014
  252    HZ2  LYS  31           HZ2      LYS  31  63.195 -18.515  97.948
  253    HZ3  LYS  31           HZ3      LYS  31  64.257 -17.189  97.920
  254    H    GLN  32           HN       GLN  32  56.640 -19.517  97.480
  255    HA   GLN  32           HA       GLN  32  56.821 -22.382  97.431
  256    HB2  GLN  32           HB2      GLN  32  56.201 -20.871  99.412
  257    HB3  GLN  32           HB1      GLN  32  54.607 -20.754  98.666
  258    HG2  GLN  32           HG2      GLN  32  54.396 -22.574 100.159
  259    HG3  GLN  32           HG1      GLN  32  54.659 -23.343  98.597
  260   HE21  GLN  32          HE21      GLN  32  55.788 -23.254 101.866
  261   HE22  GLN  32          HE22      GLN  32  57.265 -24.057 101.629
  262    H    TYR  33           HN       TYR  33  54.766 -19.915  96.066
  263    HA   TYR  33           HA       TYR  33  52.646 -21.556  95.174
  264    HB2  TYR  33           HB2      TYR  33  52.268 -19.226  95.358
  265    HB3  TYR  33           HB1      TYR  33  53.713 -18.859  94.425
  266    HD1  TYR  33           HD2      TYR  33  50.268 -20.143  94.254
  267    HD2  TYR  33           HD1      TYR  33  53.743 -18.954  92.026
  268    HE1  TYR  33           HE2      TYR  33  48.934 -20.159  92.164
  269    HE2  TYR  33           HE1      TYR  33  52.408 -18.968  89.937
  270    HH   TYR  33           HH       TYR  33  49.346 -18.752  89.712
  271    H    ALA  34           HN       ALA  34  55.682 -20.474  93.718
  272    HA   ALA  34           HA       ALA  34  55.217 -21.326  91.088
  273    HB1  ALA  34           HB1      ALA  34  57.392 -20.681  90.732
  274    HB2  ALA  34           HB2      ALA  34  58.001 -21.623  92.092
  275    HB3  ALA  34           HB3      ALA  34  57.270 -20.045  92.368
  276    H    ASN  35           HN       ASN  35  56.344 -23.170  93.972
  277    HA   ASN  35           HA       ASN  35  56.977 -25.518  92.484
  278    HB2  ASN  35           HB2      ASN  35  57.565 -24.678  94.976
  279    HB3  ASN  35           HB1      ASN  35  56.195 -25.710  95.363
  280   HD21  ASN  35          HD21      ASN  35  59.347 -25.844  93.495
  281   HD22  ASN  35          HD22      ASN  35  59.599 -27.495  93.799
  282    H    ASP  36           HN       ASP  36  54.177 -24.414  94.375
  283    HA   ASP  36           HA       ASP  36  52.634 -26.761  94.109
  284    HB2  ASP  36           HB2      ASP  36  51.428 -24.036  94.474
  285    HB3  ASP  36           HB1      ASP  36  50.939 -25.573  95.188
  286    H    ASN  37           HN       ASN  37  53.059 -24.040  91.889
  287    HA   ASN  37           HA       ASN  37  50.659 -24.815  90.410
  288    HB2  ASN  37           HB2      ASN  37  51.003 -22.841  89.134
  289    HB3  ASN  37           HB1      ASN  37  51.274 -22.438  90.825
  290   HD21  ASN  37          HD21      ASN  37  52.475 -20.634  89.235
  291   HD22  ASN  37          HD22      ASN  37  54.138 -20.928  89.069
  292    H    GLY  38           HN       GLY  38  54.164 -25.325  90.152
  293    HA2  GLY  38           HA2      GLY  38  54.606 -27.399  88.800
  294    HA3  GLY  38           HA1      GLY  38  53.696 -26.633  87.515
  295    H    VAL  39           HN       VAL  39  55.424 -24.105  88.787
  296    HA   VAL  39           HA       VAL  39  57.762 -24.653  87.019
  297    HB   VAL  39           HB       VAL  39  56.497 -23.039  85.854
  298   HG11  VAL  39          HG11      VAL  39  56.242 -21.418  88.387
  299   HG12  VAL  39          HG12      VAL  39  55.005 -22.521  87.816
  300   HG13  VAL  39          HG13      VAL  39  55.449 -21.135  86.843
  301   HG21  VAL  39          HG21      VAL  39  58.934 -22.429  86.295
  302   HG22  VAL  39          HG22      VAL  39  58.346 -21.319  87.519
  303   HG23  VAL  39          HG23      VAL  39  57.890 -21.092  85.834
  304    H    ASP  40           HN       ASP  40  59.459 -24.998  88.246
  305    HA   ASP  40           HA       ASP  40  60.087 -23.061  90.406
  306    HB2  ASP  40           HB2      ASP  40  59.369 -25.465  91.123
  307    HB3  ASP  40           HB1      ASP  40  60.948 -25.951  90.510
  308    H    GLY  41           HN       GLY  41  61.806 -21.846  89.567
  309    HA2  GLY  41           HA2      GLY  41  64.093 -23.379  88.477
  310    HA3  GLY  41           HA1      GLY  41  63.402 -22.092  87.509
  311    H    GLU  42           HN       GLU  42  65.477 -20.952  87.543
  312    HA   GLU  42           HA       GLU  42  66.639 -20.176  90.016
  313    HB2  GLU  42           HB2      GLU  42  67.228 -18.702  87.484
  314    HB3  GLU  42           HB1      GLU  42  68.327 -19.225  88.753
  315    HG2  GLU  42           HG2      GLU  42  67.026 -20.967  86.643
  316    HG3  GLU  42           HG1      GLU  42  68.739 -20.601  86.810
  317    H    TRP  43           HN       TRP  43  66.668 -18.046  90.881
  318    HA   TRP  43           HA       TRP  43  64.314 -16.406  90.114
  319    HB2  TRP  43           HB2      TRP  43  65.454 -17.080  92.814
  320    HB3  TRP  43           HB1      TRP  43  64.196 -15.875  92.548
  321    HD1  TRP  43           HD1      TRP  43  64.753 -19.711  92.271
  322    HE1  TRP  43           HE1      TRP  43  62.420 -20.814  92.281
  323    HE3  TRP  43           HE3      TRP  43  61.880 -15.555  92.174
  324    HZ2  TRP  43           HZ2      TRP  43  59.668 -19.996  92.286
  325    HZ3  TRP  43           HZ3      TRP  43  59.435 -15.713  92.200
  326    HH2  TRP  43           HH2      TRP  43  58.310 -17.919  92.257
  327    H    THR  44           HN       THR  44  64.400 -14.347  90.196
  328    HA   THR  44           HA       THR  44  66.705 -12.942  91.271
  329    HB   THR  44           HB       THR  44  67.102 -12.940  88.897
  330    HG1  THR  44           HG1      THR  44  67.174 -10.967  90.232
  331   HG21  THR  44          HG21      THR  44  65.219 -11.791  87.481
  332   HG22  THR  44          HG22      THR  44  64.170 -12.323  88.784
  333   HG23  THR  44          HG23      THR  44  65.089 -13.507  87.861
  334    H    TYR  45           HN       TYR  45  66.153 -10.792  92.201
  335    HA   TYR  45           HA       TYR  45  63.211 -10.428  92.235
  336    HB2  TYR  45           HB2      TYR  45  63.619 -11.252  94.407
  337    HB3  TYR  45           HB1      TYR  45  65.113 -10.329  94.560
  338    HD1  TYR  45           HD1      TYR  45  61.718  -9.228  93.326
  339    HD2  TYR  45           HD2      TYR  45  64.777  -8.797  96.317
  340    HE1  TYR  45           HE1      TYR  45  60.527  -7.291  94.256
  341    HE2  TYR  45           HE2      TYR  45  63.565  -6.846  97.251
  342    HH   TYR  45           HH       TYR  45  60.986  -5.324  95.569
  343    H    ASP  46           HN       ASP  46  62.654  -8.591  91.327
  344    HA   ASP  46           HA       ASP  46  64.719  -6.549  91.266
  345    HB2  ASP  46           HB2      ASP  46  63.122  -6.921  89.197
  346    HB3  ASP  46           HB1      ASP  46  61.927  -6.092  90.188
  347    H    ASP  47           HN       ASP  47  65.025  -5.430  93.030
  348    HA   ASP  47           HA       ASP  47  62.643  -4.772  94.687
  349    HB2  ASP  47           HB2      ASP  47  64.978  -5.649  95.624
  350    HB3  ASP  47           HB1      ASP  47  65.430  -3.955  95.428
  351    H    ALA  48           HN       ALA  48  64.532  -3.764  92.272
  352    HA   ALA  48           HA       ALA  48  64.681  -0.965  92.775
  353    HB1  ALA  48           HB1      ALA  48  66.151  -2.670  91.379
  354    HB2  ALA  48           HB2      ALA  48  65.967  -1.005  90.828
  355    HB3  ALA  48           HB3      ALA  48  65.005  -2.285  90.095
  356    H    THR  49           HN       THR  49  62.432  -3.165  91.217
  357    HA   THR  49           HA       THR  49  60.516  -1.012  90.602
  358    HB   THR  49           HB       THR  49  59.801  -2.644  88.660
  359    HG1  THR  49           HG1      THR  49  62.535  -3.309  88.850
  360   HG21  THR  49          HG21      THR  49  62.294  -0.955  88.561
  361   HG22  THR  49          HG22      THR  49  60.652  -0.481  88.125
  362   HG23  THR  49          HG23      THR  49  61.529  -1.646  87.131
  363    H    LYS  50           HN       LYS  50  61.209  -3.603  92.529
  364    HA   LYS  50           HA       LYS  50  59.952  -5.098  93.735
  365    HB2  LYS  50           HB2      LYS  50  57.470  -3.638  92.838
  366    HB3  LYS  50           HB1      LYS  50  57.763  -4.480  94.358
  367    HG2  LYS  50           HG2      LYS  50  59.141  -1.917  93.490
  368    HG3  LYS  50           HG1      LYS  50  57.820  -2.021  94.648
  369    HD2  LYS  50           HD2      LYS  50  59.222  -3.477  96.091
  370    HD3  LYS  50           HD1      LYS  50  60.553  -3.297  94.950
  371    HE2  LYS  50           HE2      LYS  50  60.765  -0.983  95.372
  372    HE3  LYS  50           HE1      LYS  50  59.210  -0.910  96.196
  373    HZ1  LYS  50           HZ1      LYS  50  60.452  -2.748  97.651
  374    HZ2  LYS  50           HZ2      LYS  50  60.496  -1.088  98.010
  375    HZ3  LYS  50           HZ3      LYS  50  61.785  -1.814  97.174
  376    H    THR  51           HN       THR  51  60.758  -6.190  91.480
  377    HA   THR  51           HA       THR  51  58.424  -7.764  90.633
  378    HB   THR  51           HB       THR  51  60.157  -6.215  88.696
  379    HG1  THR  51           HG1      THR  51  58.372  -5.171  88.380
  380   HG21  THR  51          HG21      THR  51  58.840  -7.527  86.926
  381   HG22  THR  51          HG22      THR  51  58.453  -8.671  88.208
  382   HG23  THR  51          HG23      THR  51  60.131  -8.409  87.742
  383    H    PHE  52           HN       PHE  52  58.923  -9.967  90.719
  384    HA   PHE  52           HA       PHE  52  61.784 -10.700  90.422
  385    HB2  PHE  52           HB2      PHE  52  60.225 -12.873  91.543
  386    HB3  PHE  52           HB1      PHE  52  61.628 -12.083  92.201
  387    HD1  PHE  52           HD2      PHE  52  58.030 -11.108  91.663
  388    HD2  PHE  52           HD1      PHE  52  61.318 -11.424  94.397
  389    HE1  PHE  52           HE2      PHE  52  56.605 -10.238  93.480
  390    HE2  PHE  52           HE1      PHE  52  59.892 -10.569  96.219
  391    HZ   PHE  52           HZ       PHE  52  57.538  -9.977  95.769
  392    H    THR  53           HN       THR  53  62.189 -12.823  89.381
  393    HA   THR  53           HA       THR  53  60.020 -13.747  87.616
  394    HB   THR  53           HB       THR  53  61.526 -13.736  85.655
  395    HG1  THR  53           HG1      THR  53  63.331 -12.010  86.314
  396   HG21  THR  53          HG21      THR  53  60.108 -11.596  86.624
  397   HG22  THR  53          HG22      THR  53  60.910 -11.605  85.065
  398   HG23  THR  53          HG23      THR  53  61.706 -10.895  86.468
  399    H    VAL  54           HN       VAL  54  60.043 -16.049  87.400
  400    HA   VAL  54           HA       VAL  54  62.479 -17.406  88.413
  401    HB   VAL  54           HB       VAL  54  60.465 -17.780  89.798
  402   HG11  VAL  54          HG11      VAL  54  58.560 -18.943  88.920
  403   HG12  VAL  54          HG12      VAL  54  59.379 -19.263  87.393
  404   HG13  VAL  54          HG13      VAL  54  58.892 -17.620  87.802
  405   HG21  VAL  54          HG21      VAL  54  60.748 -20.206  89.925
  406   HG22  VAL  54          HG22      VAL  54  62.312 -19.481  89.553
  407   HG23  VAL  54          HG23      VAL  54  61.374 -20.256  88.277
  408    H    THR  55           HN       THR  55  63.618 -18.638  87.003
  409    HA   THR  55           HA       THR  55  62.319 -19.505  84.474
  410    HB   THR  55           HB       THR  55  64.065 -17.529  84.456
  411    HG1  THR  55           HG1      THR  55  64.876 -18.504  82.428
  412   HG21  THR  55          HG21      THR  55  65.738 -18.945  85.769
  413   HG22  THR  55          HG22      THR  55  66.367 -18.182  84.325
  414   HG23  THR  55          HG23      THR  55  65.960 -19.889  84.299
  415    H    GLU  56           HN       GLU  56  62.337 -21.713  84.147
  416    HA   GLU  56           HA       GLU  56  64.444 -23.300  85.525
  417    HB2  GLU  56           HB2      GLU  56  62.619 -25.175  85.127
  418    HB3  GLU  56           HB1      GLU  56  62.486 -24.076  86.501
  419    HG2  GLU  56           HG2      GLU  56  60.966 -22.646  85.288
  420    HG3  GLU  56           HG1      GLU  56  61.168 -23.599  83.821
  421    H1   MET   1           HT1      MET   1  68.249 -24.172  70.018
  422    H2   MET   1           HT2      MET   1  69.612 -24.228  69.004
  423    H3   MET   1           HT3      MET   1  68.995 -22.732  69.521
  424    HA   MET   1           HA       MET   1  70.039 -24.780  71.377
  425    HB2  MET   1           HB2      MET   1  72.162 -24.217  70.763
  426    HB3  MET   1           HB1      MET   1  71.491 -23.255  69.462
  427    HG2  MET   1           HG2      MET   1  71.255 -21.373  71.278
  428    HG3  MET   1           HG1      MET   1  72.377 -22.364  72.207
  429    HE1  MET   1           HE1      MET   1  72.818 -20.030  68.414
  430    HE2  MET   1           HE2      MET   1  71.391 -20.824  69.070
  431    HE3  MET   1           HE3      MET   1  72.499 -21.724  68.043
  432    H    GLN   2           HN       GLN   2  70.881 -23.316  73.380
  433    HA   GLN   2           HA       GLN   2  68.741 -21.340  73.992
  434    HB2  GLN   2           HB2      GLN   2  69.919 -23.490  75.770
  435    HB3  GLN   2           HB1      GLN   2  68.885 -22.186  76.348
  436    HG2  GLN   2           HG2      GLN   2  67.050 -22.950  74.956
  437    HG3  GLN   2           HG1      GLN   2  68.081 -24.165  74.199
  438   HE21  GLN   2          HE21      GLN   2  69.312 -24.524  77.186
  439   HE22  GLN   2          HE22      GLN   2  68.185 -25.572  77.900
  440    H    TYR   3           HN       TYR   3  69.318 -19.534  75.129
  441    HA   TYR   3           HA       TYR   3  72.183 -19.207  75.792
  442    HB2  TYR   3           HB2      TYR   3  70.288 -16.945  75.215
  443    HB3  TYR   3           HB1      TYR   3  72.052 -16.921  75.290
  444    HD1  TYR   3           HD2      TYR   3  69.151 -18.210  73.381
  445    HD2  TYR   3           HD1      TYR   3  73.375 -17.435  73.389
  446    HE1  TYR   3           HE2      TYR   3  69.239 -18.657  70.948
  447    HE2  TYR   3           HE1      TYR   3  73.459 -17.879  70.950
  448    HH   TYR   3           HH       TYR   3  72.221 -18.174  69.100
  449    H    LYS   4           HN       LYS   4  72.631 -18.075  77.711
  450    HA   LYS   4           HA       LYS   4  70.343 -17.960  79.625
  451    HB2  LYS   4           HB2      LYS   4  71.941 -19.860  79.968
  452    HB3  LYS   4           HB1      LYS   4  73.223 -18.682  80.218
  453    HG2  LYS   4           HG2      LYS   4  71.993 -17.745  82.144
  454    HG3  LYS   4           HG1      LYS   4  70.704 -18.926  81.897
  455    HD2  LYS   4           HD2      LYS   4  72.193 -20.773  82.358
  456    HD3  LYS   4           HD1      LYS   4  73.599 -19.709  82.361
  457    HE2  LYS   4           HE2      LYS   4  73.141 -20.035  84.652
  458    HE3  LYS   4           HE1      LYS   4  72.401 -18.474  84.303
  459    HZ1  LYS   4           HZ1      LYS   4  70.875 -19.842  85.525
  460    HZ2  LYS   4           HZ2      LYS   4  71.023 -21.101  84.394
  461    HZ3  LYS   4           HZ3      LYS   4  70.287 -19.636  83.948
  462    H    LEU   5           HN       LEU   5  69.996 -16.004  80.541
  463    HA   LEU   5           HA       LEU   5  72.187 -14.012  80.466
  464    HB2  LEU   5           HB2      LEU   5  70.188 -13.317  79.225
  465    HB3  LEU   5           HB1      LEU   5  69.198 -13.609  80.627
  466    HG   LEU   5           HG       LEU   5  69.898 -11.159  80.004
  467   HD11  LEU   5          HD11      LEU   5  68.589 -11.653  81.954
  468   HD12  LEU   5          HD12      LEU   5  69.832 -10.478  82.368
  469   HD13  LEU   5          HD13      LEU   5  70.019 -12.157  82.848
  470   HD21  LEU   5          HD21      LEU   5  72.414 -11.806  80.068
  471   HD22  LEU   5          HD22      LEU   5  72.234 -11.672  81.814
  472   HD23  LEU   5          HD23      LEU   5  71.906 -10.287  80.793
  473    H    ILE   6           HN       ILE   6  73.026 -13.297  82.268
  474    HA   ILE   6           HA       ILE   6  71.985 -14.317  84.831
  475    HB   ILE   6           HB       ILE   6  74.573 -12.837  84.287
  476   HG12  ILE   6          HG12      ILE   6  74.577 -14.854  82.928
  477   HG13  ILE   6          HG11      ILE   6  75.645 -15.088  84.307
  478   HG21  ILE   6          HG21      ILE   6  73.891 -12.807  86.598
  479   HG22  ILE   6          HG22      ILE   6  75.218 -13.957  86.432
  480   HG23  ILE   6          HG23      ILE   6  73.559 -14.538  86.572
  481   HD11  ILE   6          HD11      ILE   6  72.894 -16.223  83.837
  482   HD12  ILE   6          HD12      ILE   6  73.617 -16.183  85.443
  483   HD13  ILE   6          HD13      ILE   6  74.399 -17.086  84.149
  484    H    LEU   7           HN       LEU   7  71.073 -12.969  86.254
  485    HA   LEU   7           HA       LEU   7  70.802 -10.154  85.473
  486    HB2  LEU   7           HB2      LEU   7  69.518 -11.843  87.613
  487    HB3  LEU   7           HB1      LEU   7  69.314 -10.104  87.547
  488    HG   LEU   7           HG       LEU   7  68.747 -10.932  84.911
  489   HD11  LEU   7          HD11      LEU   7  68.678 -13.282  86.003
  490   HD12  LEU   7          HD12      LEU   7  67.338 -12.786  84.975
  491   HD13  LEU   7          HD13      LEU   7  67.170 -12.738  86.716
  492   HD21  LEU   7          HD21      LEU   7  67.510  -9.223  85.985
  493   HD22  LEU   7          HD22      LEU   7  67.004 -10.296  87.273
  494   HD23  LEU   7          HD23      LEU   7  66.353 -10.507  85.654
  495    H    ASN   8           HN       ASN   8  72.225  -8.762  86.131
  496    HA   ASN   8           HA       ASN   8  73.237  -8.861  88.890
  497    HB2  ASN   8           HB2      ASN   8  74.996  -9.738  87.400
  498    HB3  ASN   8           HB1      ASN   8  74.861  -8.294  86.399
  499   HD21  ASN   8          HD21      ASN   8  77.122  -7.715  86.921
  500   HD22  ASN   8          HD22      ASN   8  77.512  -7.074  88.443
  501    H    GLY   9           HN       GLY   9  71.603  -7.256  89.294
  502    HA2  GLY   9           HA2      GLY   9  72.147  -4.621  88.013
  503    HA3  GLY   9           HA1      GLY   9  70.530  -5.167  88.431
  504    H    LYS  10           HN       LYS  10  70.377  -3.183  89.657
  505    HA   LYS  10           HA       LYS  10  72.076  -2.736  91.898
  506    HB2  LYS  10           HB2      LYS  10  69.253  -1.689  91.533
  507    HB3  LYS  10           HB1      LYS  10  70.556  -0.970  92.488
  508    HG2  LYS  10           HG2      LYS  10  71.909  -0.792  90.370
  509    HG3  LYS  10           HG1      LYS  10  70.486  -1.307  89.475
  510    HD2  LYS  10           HD2      LYS  10  70.381   1.060  91.341
  511    HD3  LYS  10           HD1      LYS  10  70.939   1.233  89.678
  512    HE2  LYS  10           HE2      LYS  10  68.798   0.201  88.896
  513    HE3  LYS  10           HE1      LYS  10  68.238   0.177  90.567
  514    HZ1  LYS  10           HZ1      LYS  10  68.086   2.276  88.766
  515    HZ2  LYS  10           HZ2      LYS  10  69.235   2.736  89.930
  516    HZ3  LYS  10           HZ3      LYS  10  67.667   2.293  90.409
  517    H    THR  11           HN       THR  11  68.759  -4.159  91.613
  518    HA   THR  11           HA       THR  11  69.467  -5.812  93.869
  519    HB   THR  11           HB       THR  11  66.609  -5.207  93.837
  520    HG1  THR  11           HG1      THR  11  67.106  -3.147  93.300
  521   HG21  THR  11          HG21      THR  11  67.143  -4.988  96.187
  522   HG22  THR  11          HG22      THR  11  68.846  -4.888  95.811
  523   HG23  THR  11          HG23      THR  11  67.958  -6.388  95.517
  524    H    LEU  12           HN       LEU  12  68.541  -5.681  90.637
  525    HA   LEU  12           HA       LEU  12  66.962  -8.093  90.950
  526    HB2  LEU  12           HB2      LEU  12  67.496  -6.303  88.717
  527    HB3  LEU  12           HB1      LEU  12  67.687  -7.978  88.218
  528    HG   LEU  12           HG       LEU  12  65.338  -6.702  89.447
  529   HD11  LEU  12          HD11      LEU  12  65.909  -7.742  86.752
  530   HD12  LEU  12          HD12      LEU  12  65.156  -6.226  87.232
  531   HD13  LEU  12          HD13      LEU  12  64.249  -7.724  87.328
  532   HD21  LEU  12          HD21      LEU  12  65.292  -9.556  88.592
  533   HD22  LEU  12          HD22      LEU  12  64.169  -8.767  89.631
  534   HD23  LEU  12          HD23      LEU  12  65.733  -9.193  90.231
  535    H    LYS  13           HN       LYS  13  67.889 -10.044  91.362
  536    HA   LYS  13           HA       LYS  13  70.237 -10.769  89.728
  537    HB2  LYS  13           HB2      LYS  13  70.222 -10.903  92.748
  538    HB3  LYS  13           HB1      LYS  13  71.364 -11.790  91.750
  539    HG2  LYS  13           HG2      LYS  13  72.686  -9.953  91.910
  540    HG3  LYS  13           HG1      LYS  13  71.615  -9.233  90.720
  541    HD2  LYS  13           HD2      LYS  13  70.181  -8.617  92.905
  542    HD3  LYS  13           HD1      LYS  13  71.756  -8.773  93.686
  543    HE2  LYS  13           HE2      LYS  13  71.615  -6.492  93.051
  544    HE3  LYS  13           HE1      LYS  13  72.628  -7.238  91.812
  545    HZ1  LYS  13           HZ1      LYS  13  69.770  -7.306  91.343
  546    HZ2  LYS  13           HZ2      LYS  13  71.034  -7.027  90.251
  547    HZ3  LYS  13           HZ3      LYS  13  70.480  -5.774  91.254
  548    H    GLY  14           HN       GLY  14  70.125 -12.706  88.965
  549    HA2  GLY  14           HA2      GLY  14  69.598 -15.112  90.177
  550    HA3  GLY  14           HA1      GLY  14  68.050 -14.605  89.542
  551    H    GLU  15           HN       GLU  15  68.027 -16.294  87.819
  552    HA   GLU  15           HA       GLU  15  69.994 -15.655  85.662
  553    HB2  GLU  15           HB2      GLU  15  68.794 -18.400  85.875
  554    HB3  GLU  15           HB1      GLU  15  70.226 -17.873  85.008
  555    HG2  GLU  15           HG2      GLU  15  70.068 -17.726  88.009
  556    HG3  GLU  15           HG1      GLU  15  70.565 -19.189  87.179
  557    H    THR  16           HN       THR  16  69.278 -16.241  83.464
  558    HA   THR  16           HA       THR  16  66.380 -16.384  83.037
  559    HB   THR  16           HB       THR  16  67.207 -14.424  81.191
  560    HG1  THR  16           HG1      THR  16  68.355 -14.136  83.730
  561   HG21  THR  16          HG21      THR  16  65.676 -12.975  82.435
  562   HG22  THR  16          HG22      THR  16  65.696 -14.111  83.784
  563   HG23  THR  16          HG23      THR  16  65.004 -14.594  82.235
  564    H    THR  17           HN       THR  17  65.826 -17.332  81.052
  565    HA   THR  17           HA       THR  17  68.012 -17.886  79.166
  566    HB   THR  17           HB       THR  17  66.352 -20.224  80.069
  567    HG1  THR  17           HG1      THR  17  67.385 -19.234  81.899
  568   HG21  THR  17          HG21      THR  17  68.093 -21.498  79.119
  569   HG22  THR  17          HG22      THR  17  69.230 -20.156  79.173
  570   HG23  THR  17          HG23      THR  17  67.918 -20.157  77.999
  571    H    THR  18           HN       THR  18  67.343 -18.760  77.143
  572    HA   THR  18           HA       THR  18  64.536 -18.860  76.492
  573    HB   THR  18           HB       THR  18  65.218 -16.397  76.423
  574    HG1  THR  18           HG1      THR  18  63.723 -17.858  74.869
  575   HG21  THR  18          HG21      THR  18  66.657 -15.625  74.746
  576   HG22  THR  18          HG22      THR  18  66.533 -17.117  73.816
  577   HG23  THR  18          HG23      THR  18  67.481 -17.084  75.302
  578    H    GLU  19           HN       GLU  19  64.177 -19.755  74.409
  579    HA   GLU  19           HA       GLU  19  66.469 -21.294  73.335
  580    HB2  GLU  19           HB2      GLU  19  64.441 -22.531  74.143
  581    HB3  GLU  19           HB1      GLU  19  63.484 -21.674  72.941
  582    HG2  GLU  19           HG2      GLU  19  63.965 -23.652  71.802
  583    HG3  GLU  19           HG1      GLU  19  65.278 -22.625  71.243
  584    H    ALA  20           HN       ALA  20  67.363 -20.448  71.542
  585    HA   ALA  20           HA       ALA  20  65.656 -19.441  69.387
  586    HB1  ALA  20           HB1      ALA  20  67.118 -17.698  71.190
  587    HB2  ALA  20           HB2      ALA  20  66.034 -17.253  69.876
  588    HB3  ALA  20           HB3      ALA  20  67.746 -17.518  69.553
  589    H    VAL  21           HN       VAL  21  66.858 -19.072  67.399
  590    HA   VAL  21           HA       VAL  21  68.858 -21.118  66.976
  591    HB   VAL  21           HB       VAL  21  67.392 -20.952  65.155
  592   HG11  VAL  21          HG11      VAL  21  66.799 -18.674  64.175
  593   HG12  VAL  21          HG12      VAL  21  67.548 -17.962  65.599
  594   HG13  VAL  21          HG13      VAL  21  66.143 -19.010  65.774
  595   HG21  VAL  21          HG21      VAL  21  68.689 -20.221  63.311
  596   HG22  VAL  21          HG22      VAL  21  69.891 -20.607  64.541
  597   HG23  VAL  21          HG23      VAL  21  69.447 -18.928  64.240
  598    H    ASP  22           HN       ASP  22  68.583 -17.603  66.984
  599    HA   ASP  22           HA       ASP  22  71.536 -17.387  66.721
  600    HB2  ASP  22           HB2      ASP  22  69.373 -15.371  66.114
  601    HB3  ASP  22           HB1      ASP  22  71.106 -15.067  65.996
  602    H    ALA  23           HN       ALA  23  72.641 -15.811  67.896
  603    HA   ALA  23           HA       ALA  23  71.819 -15.597  70.641
  604    HB1  ALA  23           HB1      ALA  23  73.942 -14.448  70.960
  605    HB2  ALA  23           HB2      ALA  23  74.144 -14.288  69.216
  606    HB3  ALA  23           HB3      ALA  23  74.188 -15.883  69.965
  607    H    ALA  24           HN       ALA  24  72.294 -13.301  67.968
  608    HA   ALA  24           HA       ALA  24  71.654 -10.952  69.369
  609    HB1  ALA  24           HB1      ALA  24  72.658 -10.966  67.096
  610    HB2  ALA  24           HB2      ALA  24  71.221  -9.948  67.174
  611    HB3  ALA  24           HB3      ALA  24  71.129 -11.549  66.440
  612    H    THR  25           HN       THR  25  69.419 -13.347  67.720
  613    HA   THR  25           HA       THR  25  67.076 -11.772  68.065
  614    HB   THR  25           HB       THR  25  67.550 -13.946  66.584
  615    HG1  THR  25           HG1      THR  25  64.976 -13.755  67.643
  616   HG21  THR  25          HG21      THR  25  67.626 -15.324  68.832
  617   HG22  THR  25          HG22      THR  25  66.787 -15.993  67.435
  618   HG23  THR  25          HG23      THR  25  65.869 -15.225  68.731
  619    H    ALA  26           HN       ALA  26  68.797 -14.059  70.108
  620    HA   ALA  26           HA       ALA  26  66.759 -14.412  72.064
  621    HB1  ALA  26           HB1      ALA  26  68.621 -16.002  71.772
  622    HB2  ALA  26           HB2      ALA  26  68.554 -15.399  73.425
  623    HB3  ALA  26           HB3      ALA  26  69.759 -14.767  72.308
  624    H    GLU  27           HN       GLU  27  69.373 -12.163  71.639
  625    HA   GLU  27           HA       GLU  27  69.340 -10.962  74.201
  626    HB2  GLU  27           HB2      GLU  27  71.129  -9.809  73.379
  627    HB3  GLU  27           HB1      GLU  27  70.944 -10.799  71.936
  628    HG2  GLU  27           HG2      GLU  27  69.357  -9.036  71.039
  629    HG3  GLU  27           HG1      GLU  27  69.797  -8.032  72.413
  630    H    LYS  28           HN       LYS  28  67.428 -10.424  71.316
  631    HA   LYS  28           HA       LYS  28  66.543  -7.824  71.799
  632    HB2  LYS  28           HB2      LYS  28  64.992 -10.149  70.628
  633    HB3  LYS  28           HB1      LYS  28  64.519  -8.453  70.511
  634    HG2  LYS  28           HG2      LYS  28  66.836  -8.051  69.475
  635    HG3  LYS  28           HG1      LYS  28  66.932  -9.801  69.299
  636    HD2  LYS  28           HD2      LYS  28  64.869  -7.940  68.074
  637    HD3  LYS  28           HD1      LYS  28  66.046  -8.940  67.223
  638    HE2  LYS  28           HE2      LYS  28  64.894 -10.966  68.358
  639    HE3  LYS  28           HE1      LYS  28  63.595  -9.854  68.764
  640    HZ1  LYS  28           HZ1      LYS  28  63.984 -11.228  66.276
  641    HZ2  LYS  28           HZ2      LYS  28  64.140  -9.568  65.959
  642    HZ3  LYS  28           HZ3      LYS  28  62.721 -10.164  66.674
  643    H    VAL  29           HN       VAL  29  65.310 -10.905  73.030
  644    HA   VAL  29           HA       VAL  29  63.171  -9.726  74.508
  645    HB   VAL  29           HB       VAL  29  64.513 -12.374  75.072
  646   HG11  VAL  29          HG11      VAL  29  62.843 -11.517  76.714
  647   HG12  VAL  29          HG12      VAL  29  62.292 -12.981  75.898
  648   HG13  VAL  29          HG13      VAL  29  61.657 -11.408  75.413
  649   HG21  VAL  29          HG21      VAL  29  62.773 -13.287  73.490
  650   HG22  VAL  29          HG22      VAL  29  64.016 -12.319  72.698
  651   HG23  VAL  29          HG23      VAL  29  62.423 -11.628  73.002
  652    H    PHE  30           HN       PHE  30  66.353 -11.020  75.466
  653    HA   PHE  30           HA       PHE  30  66.219 -10.388  78.184
  654    HB2  PHE  30           HB2      PHE  30  68.632 -10.624  76.407
  655    HB3  PHE  30           HB1      PHE  30  68.679 -10.577  78.159
  656    HD1  PHE  30           HD2      PHE  30  66.551 -12.348  79.084
  657    HD2  PHE  30           HD1      PHE  30  69.126 -12.769  75.657
  658    HE1  PHE  30           HE2      PHE  30  66.219 -14.790  79.123
  659    HE2  PHE  30           HE1      PHE  30  68.802 -15.214  75.732
  660    HZ   PHE  30           HZ       PHE  30  67.349 -16.226  77.460
  661    H    LYS  31           HN       LYS  31  67.629  -8.450  75.513
  662    HA   LYS  31           HA       LYS  31  68.574  -6.426  77.278
  663    HB2  LYS  31           HB2      LYS  31  68.154  -6.585  74.306
  664    HB3  LYS  31           HB1      LYS  31  68.463  -5.013  75.039
  665    HG2  LYS  31           HG2      LYS  31  70.504  -6.108  76.164
  666    HG3  LYS  31           HG1      LYS  31  70.250  -7.456  75.056
  667    HD2  LYS  31           HD2      LYS  31  70.497  -5.972  73.142
  668    HD3  LYS  31           HD1      LYS  31  70.602  -4.572  74.202
  669    HE2  LYS  31           HE2      LYS  31  72.676  -5.368  75.151
  670    HE3  LYS  31           HE1      LYS  31  72.543  -6.893  74.270
  671    HZ1  LYS  31           HZ1      LYS  31  73.647  -4.473  73.395
  672    HZ2  LYS  31           HZ2      LYS  31  72.283  -4.805  72.439
  673    HZ3  LYS  31           HZ3      LYS  31  73.539  -5.943  72.559
  674    H    GLN  32           HN       GLN  32  65.599  -6.725  75.363
  675    HA   GLN  32           HA       GLN  32  64.559  -4.203  76.203
  676    HB2  GLN  32           HB2      GLN  32  63.913  -5.631  74.157
  677    HB3  GLN  32           HB1      GLN  32  62.918  -6.553  75.280
  678    HG2  GLN  32           HG2      GLN  32  61.422  -4.928  74.482
  679    HG3  GLN  32           HG1      GLN  32  61.974  -4.231  76.002
  680   HE21  GLN  32          HE21      GLN  32  61.482  -3.479  72.706
  681   HE22  GLN  32          HE22      GLN  32  62.538  -2.155  72.587
  682    H    TYR  33           HN       TYR  33  64.422  -7.489  77.385
  683    HA   TYR  33           HA       TYR  33  62.338  -7.187  79.262
  684    HB2  TYR  33           HB2      TYR  33  62.945  -9.376  78.602
  685    HB3  TYR  33           HB1      TYR  33  64.647  -9.066  78.925
  686    HD1  TYR  33           HD2      TYR  33  61.352  -9.648  80.472
  687    HD2  TYR  33           HD1      TYR  33  65.574  -9.199  81.121
  688    HE1  TYR  33           HE2      TYR  33  61.086 -10.476  82.795
  689    HE2  TYR  33           HE1      TYR  33  65.307 -10.027  83.440
  690    HH   TYR  33           HH       TYR  33  62.785 -11.690  84.515
  691    H    ALA  34           HN       ALA  34  65.857  -6.802  79.459
  692    HA   ALA  34           HA       ALA  34  66.078  -6.494  82.236
  693    HB1  ALA  34           HB1      ALA  34  68.287  -6.090  81.786
  694    HB2  ALA  34           HB2      ALA  34  67.916  -4.852  80.585
  695    HB3  ALA  34           HB3      ALA  34  67.839  -6.558  80.148
  696    H    ASN  35           HN       ASN  35  65.221  -4.089  79.688
  697    HA   ASN  35           HA       ASN  35  65.358  -1.869  81.467
  698    HB2  ASN  35           HB2      ASN  35  65.295  -2.066  78.796
  699    HB3  ASN  35           HB1      ASN  35  63.570  -1.826  79.065
  700   HD21  ASN  35          HD21      ASN  35  66.791  -0.297  79.883
  701   HD22  ASN  35          HD22      ASN  35  66.161   1.276  79.991
  702    H    ASP  36           HN       ASP  36  62.764  -3.980  80.264
  703    HA   ASP  36           HA       ASP  36  60.627  -2.669  81.572
  704    HB2  ASP  36           HB2      ASP  36  60.589  -5.591  80.876
  705    HB3  ASP  36           HB1      ASP  36  59.288  -4.405  80.769
  706    H    ASN  37           HN       ASN  37  62.910  -5.114  82.752
  707    HA   ASN  37           HA       ASN  37  61.189  -5.714  85.029
  708    HB2  ASN  37           HB2      ASN  37  62.777  -7.387  85.584
  709    HB3  ASN  37           HB1      ASN  37  62.531  -7.445  83.842
  710   HD21  ASN  37          HD21      ASN  37  64.868  -8.592  84.447
  711   HD22  ASN  37          HD22      ASN  37  66.187  -7.549  84.216
  712    H    GLY  38           HN       GLY  38  63.945  -3.590  84.366
  713    HA2  GLY  38           HA2      GLY  38  63.984  -1.690  85.982
  714    HA3  GLY  38           HA1      GLY  38  63.997  -2.884  87.259
  715    H    VAL  39           HN       VAL  39  66.025  -4.187  84.966
  716    HA   VAL  39           HA       VAL  39  68.393  -2.763  86.087
  717    HB   VAL  39           HB       VAL  39  68.438  -4.879  87.121
  718   HG11  VAL  39          HG11      VAL  39  67.923  -6.177  84.443
  719   HG12  VAL  39          HG12      VAL  39  66.676  -5.866  85.634
  720   HG13  VAL  39          HG13      VAL  39  67.988  -6.961  86.017
  721   HG21  VAL  39          HG21      VAL  39  70.554  -4.227  85.856
  722   HG22  VAL  39          HG22      VAL  39  70.061  -5.365  84.616
  723   HG23  VAL  39          HG23      VAL  39  70.403  -5.934  86.246
  724    H    ASP  40           HN       ASP  40  69.206  -1.541  84.551
  725    HA   ASP  40           HA       ASP  40  69.737  -2.750  81.892
  726    HB2  ASP  40           HB2      ASP  40  67.878  -0.927  82.013
  727    HB3  ASP  40           HB1      ASP  40  69.208   0.199  82.266
  728    H    GLY  41           HN       GLY  41  71.978  -3.070  81.884
  729    HA2  GLY  41           HA2      GLY  41  73.642  -0.743  82.657
  730    HA3  GLY  41           HA1      GLY  41  73.958  -2.298  83.405
  731    H    GLU  42           HN       GLU  42  76.146  -2.272  82.488
  732    HA   GLU  42           HA       GLU  42  76.483  -2.140  79.672
  733    HB2  GLU  42           HB2      GLU  42  78.546  -3.356  81.482
  734    HB3  GLU  42           HB1      GLU  42  78.760  -2.301  80.090
  735    HG2  GLU  42           HG2      GLU  42  77.738  -1.510  82.830
  736    HG3  GLU  42           HG1      GLU  42  79.257  -1.024  82.081
  737    H    TRP  43           HN       TRP  43  76.666  -3.765  78.253
  738    HA   TRP  43           HA       TRP  43  75.857  -6.442  79.179
  739    HB2  TRP  43           HB2      TRP  43  75.601  -5.017  76.534
  740    HB3  TRP  43           HB1      TRP  43  75.223  -6.727  76.758
  741    HD1  TRP  43           HD1      TRP  43  74.000  -3.224  77.806
  742    HE1  TRP  43           HE1      TRP  43  71.627  -3.463  78.782
  743    HE3  TRP  43           HE3      TRP  43  73.584  -8.289  77.827
  744    HZ2  TRP  43           HZ2      TRP  43  69.791  -5.531  79.434
  745    HZ3  TRP  43           HZ3      TRP  43  71.513  -9.370  78.615
  746    HH2  TRP  43           HH2      TRP  43  69.609  -8.006  79.422
  747    H    THR  44           HN       THR  44  76.591  -8.214  78.100
  748    HA   THR  44           HA       THR  44  79.002  -8.180  76.513
  749    HB   THR  44           HB       THR  44  80.052  -8.026  78.693
  750    HG1  THR  44           HG1      THR  44  80.484  -9.888  77.070
  751   HG21  THR  44          HG21      THR  44  79.501  -9.737  80.449
  752   HG22  THR  44          HG22      THR  44  78.139 -10.249  79.458
  753   HG23  THR  44          HG23      THR  44  78.185  -8.614  80.115
  754    H    TYR  45           HN       TYR  45  79.189 -10.193  75.379
  755    HA   TYR  45           HA       TYR  45  77.194 -12.255  76.099
  756    HB2  TYR  45           HB2      TYR  45  76.134 -11.073  74.309
  757    HB3  TYR  45           HB1      TYR  45  77.624 -11.027  73.375
  758    HD1  TYR  45           HD1      TYR  45  75.782 -13.781  75.199
  759    HD2  TYR  45           HD2      TYR  45  77.491 -12.419  71.495
  760    HE1  TYR  45           HE1      TYR  45  75.191 -15.927  74.137
  761    HE2  TYR  45           HE2      TYR  45  76.901 -14.581  70.437
  762    HH   TYR  45           HH       TYR  45  75.796 -17.290  72.287
  763    H    ASP  46           HN       ASP  46  78.081 -14.158  76.308
  764    HA   ASP  46           HA       ASP  46  80.650 -14.685  74.954
  765    HB2  ASP  46           HB2      ASP  46  80.686 -15.120  77.378
  766    HB3  ASP  46           HB1      ASP  46  79.287 -16.197  77.214
  767    H    ASP  47           HN       ASP  47  80.355 -15.636  72.945
  768    HA   ASP  47           HA       ASP  47  77.923 -17.136  72.390
  769    HB2  ASP  47           HB2      ASP  47  79.134 -15.496  70.794
  770    HB3  ASP  47           HB1      ASP  47  80.261 -16.820  70.513
  771    H    ALA  48           HN       ALA  48  80.951 -17.787  73.651
  772    HA   ALA  48           HA       ALA  48  81.316 -20.417  72.513
  773    HB1  ALA  48           HB1      ALA  48  83.119 -18.819  73.443
  774    HB2  ALA  48           HB2      ALA  48  83.254 -20.532  73.838
  775    HB3  ALA  48           HB3      ALA  48  82.617 -19.399  75.030
  776    H    THR  49           HN       THR  49  79.593 -19.044  75.252
  777    HA   THR  49           HA       THR  49  78.823 -21.760  76.150
  778    HB   THR  49           HB       THR  49  78.547 -20.527  78.471
  779    HG1  THR  49           HG1      THR  49  80.663 -19.019  77.372
  780   HG21  THR  49          HG21      THR  49  81.272 -21.228  77.364
  781   HG22  THR  49          HG22      THR  49  80.121 -22.359  78.077
  782   HG23  THR  49          HG23      THR  49  80.862 -21.107  79.074
  783    H    LYS  50           HN       LYS  50  77.739 -19.291  74.435
  784    HA   LYS  50           HA       LYS  50  75.728 -18.185  74.178
  785    HB2  LYS  50           HB2      LYS  50  74.452 -20.648  75.355
  786    HB3  LYS  50           HB1      LYS  50  73.878 -19.632  74.036
  787    HG2  LYS  50           HG2      LYS  50  76.353 -21.389  73.900
  788    HG3  LYS  50           HG1      LYS  50  74.777 -21.823  73.248
  789    HD2  LYS  50           HD2      LYS  50  74.846 -19.800  71.797
  790    HD3  LYS  50           HD1      LYS  50  76.465 -19.450  72.400
  791    HE2  LYS  50           HE2      LYS  50  77.395 -21.360  71.384
  792    HE3  LYS  50           HE1      LYS  50  75.822 -22.129  71.171
  793    HZ1  LYS  50           HZ1      LYS  50  75.447 -19.905  69.789
  794    HZ2  LYS  50           HZ2      LYS  50  76.070 -21.326  69.096
  795    HZ3  LYS  50           HZ3      LYS  50  77.120 -20.077  69.571
  796    H    THR  51           HN       THR  51  76.840 -17.150  76.386
  797    HA   THR  51           HA       THR  51  74.533 -16.877  78.212
  798    HB   THR  51           HB       THR  51  77.351 -17.570  79.085
  799    HG1  THR  51           HG1      THR  51  76.453 -19.390  79.618
  800   HG21  THR  51          HG21      THR  51  76.359 -17.264  81.435
  801   HG22  THR  51          HG22      THR  51  75.064 -16.356  80.659
  802   HG23  THR  51          HG23      THR  51  76.726 -15.783  80.551
  803    H    PHE  52           HN       PHE  52  74.040 -14.715  78.566
  804    HA   PHE  52           HA       PHE  52  76.242 -12.759  78.209
  805    HB2  PHE  52           HB2      PHE  52  73.674 -11.447  78.065
  806    HB3  PHE  52           HB1      PHE  52  74.942 -11.508  76.862
  807    HD1  PHE  52           HD2      PHE  52  72.479 -14.023  78.225
  808    HD2  PHE  52           HD1      PHE  52  74.100 -12.056  74.776
  809    HE1  PHE  52           HE2      PHE  52  70.950 -15.310  76.766
  810    HE2  PHE  52           HE1      PHE  52  72.567 -13.327  73.322
  811    HZ   PHE  52           HZ       PHE  52  70.993 -14.951  74.309
  812    H    THR  53           HN       THR  53  76.043 -10.790  79.564
  813    HA   THR  53           HA       THR  53  74.474 -11.155  82.029
  814    HB   THR  53           HB       THR  53  76.444 -10.577  83.415
  815    HG1  THR  53           HG1      THR  53  78.423 -11.194  81.865
  816   HG21  THR  53          HG21      THR  53  75.844 -13.076  82.361
  817   HG22  THR  53          HG22      THR  53  76.975 -12.785  83.671
  818   HG23  THR  53          HG23      THR  53  77.556 -12.912  82.014
  819    H    VAL  54           HN       VAL  54  73.620  -9.150  82.807
  820    HA   VAL  54           HA       VAL  54  74.679  -6.691  81.498
  821    HB   VAL  54           HB       VAL  54  72.334  -7.236  80.907
  822   HG11  VAL  54          HG11      VAL  54  70.604  -7.281  82.564
  823   HG12  VAL  54          HG12      VAL  54  71.708  -6.737  83.822
  824   HG13  VAL  54          HG13      VAL  54  71.878  -8.353  83.145
  825   HG21  VAL  54          HG21      VAL  54  71.435  -5.008  81.357
  826   HG22  VAL  54          HG22      VAL  54  73.164  -4.861  81.051
  827   HG23  VAL  54          HG23      VAL  54  72.554  -4.789  82.703
  828    H    THR  55           HN       THR  55  75.721  -5.298  82.825
  829    HA   THR  55           HA       THR  55  75.169  -5.395  85.742
  830    HB   THR  55           HB       THR  55  77.396  -6.428  84.841
  831    HG1  THR  55           HG1      THR  55  78.444  -5.244  86.718
  832   HG21  THR  55          HG21      THR  55  77.882  -4.319  83.467
  833   HG22  THR  55          HG22      THR  55  79.206  -4.925  84.457
  834   HG23  THR  55          HG23      THR  55  78.266  -3.534  84.997
  835    H    GLU  56           HN       GLU  56  74.406  -3.497  86.559
  836    HA   GLU  56           HA       GLU  56  75.084  -0.984  85.131
  837    HB2  GLU  56           HB2      GLU  56  73.012  -0.206  86.605
  838    HB3  GLU  56           HB1      GLU  56  72.767  -1.054  85.079
  839    HG2  GLU  56           HG2      GLU  56  72.544  -3.177  86.247
  840    HG3  GLU  56           HG1      GLU  56  72.882  -2.398  87.790
  841    H1   MET   1           HT1      MET   1  40.971 -35.118  78.712
  842    H2   MET   1           HT2      MET   1  42.508 -35.363  78.031
  843    H3   MET   1           HT3      MET   1  41.797 -33.820  77.999
  844    HA   MET   1           HA       MET   1  42.469 -35.253  80.496
  845    HB2  MET   1           HB2      MET   1  44.663 -34.722  80.164
  846    HB3  MET   1           HB1      MET   1  44.248 -34.172  78.552
  847    HG2  MET   1           HG2      MET   1  43.627 -31.910  79.721
  848    HG3  MET   1           HG1      MET   1  44.545 -32.550  81.083
  849    HE1  MET   1           HE1      MET   1  45.726 -31.237  76.976
  850    HE2  MET   1           HE2      MET   1  44.212 -31.955  77.519
  851    HE3  MET   1           HE3      MET   1  45.536 -32.990  77.003
  852    H    GLN   2           HN       GLN   2  42.890 -33.249  82.153
  853    HA   GLN   2           HA       GLN   2  40.624 -31.349  81.818
  854    HB2  GLN   2           HB2      GLN   2  41.507 -32.851  84.295
  855    HB3  GLN   2           HB1      GLN   2  40.352 -31.521  84.306
  856    HG2  GLN   2           HG2      GLN   2  38.825 -32.762  82.887
  857    HG3  GLN   2           HG1      GLN   2  40.006 -34.056  82.683
  858   HE21  GLN   2          HE21      GLN   2  40.679 -33.527  85.814
  859   HE22  GLN   2          HE22      GLN   2  39.459 -34.420  86.587
  860    H    TYR   3           HN       TYR   3  40.951 -29.265  82.468
  861    HA   TYR   3           HA       TYR   3  43.645 -28.562  83.483
  862    HB2  TYR   3           HB2      TYR   3  41.820 -26.704  81.981
  863    HB3  TYR   3           HB1      TYR   3  43.537 -26.512  82.345
  864    HD1  TYR   3           HD2      TYR   3  41.086 -28.519  80.423
  865    HD2  TYR   3           HD1      TYR   3  45.203 -27.399  80.911
  866    HE1  TYR   3           HE2      TYR   3  41.638 -29.594  78.262
  867    HE2  TYR   3           HE1      TYR   3  45.750 -28.469  78.743
  868    HH   TYR   3           HH       TYR   3  44.917 -29.421  76.909
  869    H    LYS   4           HN       LYS   4  43.721 -26.940  85.064
  870    HA   LYS   4           HA       LYS   4  41.129 -26.468  86.460
  871    HB2  LYS   4           HB2      LYS   4  42.714 -28.063  87.579
  872    HB3  LYS   4           HB1      LYS   4  43.870 -26.743  87.710
  873    HG2  LYS   4           HG2      LYS   4  42.269 -25.454  89.061
  874    HG3  LYS   4           HG1      LYS   4  41.080 -26.750  88.910
  875    HD2  LYS   4           HD2      LYS   4  42.478 -28.292  90.131
  876    HD3  LYS   4           HD1      LYS   4  43.843 -27.176  90.091
  877    HE2  LYS   4           HE2      LYS   4  42.955 -26.910  92.264
  878    HE3  LYS   4           HE1      LYS   4  42.289 -25.545  91.370
  879    HZ1  LYS   4           HZ1      LYS   4  40.550 -26.595  92.602
  880    HZ2  LYS   4           HZ2      LYS   4  40.934 -28.118  91.954
  881    HZ3  LYS   4           HZ3      LYS   4  40.294 -26.903  90.955
  882    H    LEU   5           HN       LEU   5  40.562 -24.361  86.738
  883    HA   LEU   5           HA       LEU   5  42.670 -22.301  86.433
  884    HB2  LEU   5           HB2      LEU   5  40.889 -22.129  84.754
  885    HB3  LEU   5           HB1      LEU   5  39.685 -22.093  86.016
  886    HG   LEU   5           HG       LEU   5  40.419 -19.867  84.828
  887   HD11  LEU   5          HD11      LEU   5  38.803 -19.877  86.593
  888   HD12  LEU   5          HD12      LEU   5  39.940 -18.562  86.869
  889   HD13  LEU   5          HD13      LEU   5  40.057 -20.035  87.817
  890   HD21  LEU   5          HD21      LEU   5  42.904 -20.287  85.490
  891   HD22  LEU   5          HD22      LEU   5  42.418 -19.652  87.056
  892   HD23  LEU   5          HD23      LEU   5  42.242 -18.666  85.618
  893    H    ILE   6           HN       ILE   6  43.191 -21.059  88.068
  894    HA   ILE   6           HA       ILE   6  41.718 -21.370  90.608
  895    HB   ILE   6           HB       ILE   6  44.366 -19.981  90.124
  896   HG12  ILE   6          HG12      ILE   6  44.625 -22.297  89.438
  897   HG13  ILE   6          HG11      ILE   6  45.391 -22.086  91.009
  898   HG21  ILE   6          HG21      ILE   6  43.255 -19.331  92.167
  899   HG22  ILE   6          HG22      ILE   6  44.598 -20.398  92.580
  900   HG23  ILE   6          HG23      ILE   6  42.945 -21.016  92.586
  901   HD11  ILE   6          HD11      ILE   6  42.779 -23.432  90.348
  902   HD12  ILE   6          HD12      ILE   6  43.147 -22.890  91.984
  903   HD13  ILE   6          HD13      ILE   6  44.170 -24.092  91.205
  904    H    LEU   7           HN       LEU   7  40.553 -19.759  91.381
  905    HA   LEU   7           HA       LEU   7  40.410 -17.284  89.820
  906    HB2  LEU   7           HB2      LEU   7  38.670 -18.564  91.917
  907    HB3  LEU   7           HB1      LEU   7  38.494 -16.855  91.546
  908    HG   LEU   7           HG       LEU   7  38.445 -17.872  89.004
  909   HD11  LEU   7          HD11      LEU   7  38.608 -20.209  89.994
  910   HD12  LEU   7          HD12      LEU   7  37.240 -19.932  88.917
  911   HD13  LEU   7          HD13      LEU   7  36.998 -19.943  90.662
  912   HD21  LEU   7          HD21      LEU   7  36.774 -16.376  90.028
  913   HD22  LEU   7          HD22      LEU   7  36.095 -17.745  90.908
  914   HD23  LEU   7          HD23      LEU   7  35.999 -17.694  89.149
  915    H    ASN   8           HN       ASN   8  41.696 -15.724  90.329
  916    HA   ASN   8           HA       ASN   8  42.057 -14.974  93.155
  917    HB2  ASN   8           HB2      ASN   8  44.107 -16.082  92.420
  918    HB3  ASN   8           HB1      ASN   8  44.160 -15.067  90.981
  919   HD21  ASN   8          HD21      ASN   8  46.219 -14.091  91.629
  920   HD22  ASN   8          HD22      ASN   8  46.295 -12.983  92.912
  921    H    GLY   9           HN       GLY   9  40.376 -13.454  92.755
  922    HA2  GLY   9           HA2      GLY   9  41.119 -11.233  90.927
  923    HA3  GLY   9           HA1      GLY   9  39.461 -11.757  91.180
  924    H    LYS  10           HN       LYS  10  39.043  -9.534  91.768
  925    HA   LYS  10           HA       LYS  10  40.284  -8.400  94.066
  926    HB2  LYS  10           HB2      LYS  10  37.573  -7.621  92.967
  927    HB3  LYS  10           HB1      LYS  10  38.722  -6.609  93.844
  928    HG2  LYS  10           HG2      LYS  10  40.357  -6.928  91.972
  929    HG3  LYS  10           HG1      LYS  10  39.112  -7.797  91.078
  930    HD2  LYS  10           HD2      LYS  10  38.593  -5.016  92.133
  931    HD3  LYS  10           HD1      LYS  10  39.434  -5.256  90.604
  932    HE2  LYS  10           HE2      LYS  10  37.512  -6.658  89.820
  933    HE3  LYS  10           HE1      LYS  10  36.659  -6.257  91.310
  934    HZ1  LYS  10           HZ1      LYS  10  36.757  -4.775  88.973
  935    HZ2  LYS  10           HZ2      LYS  10  37.666  -3.908  90.116
  936    HZ3  LYS  10           HZ3      LYS  10  36.054  -4.327  90.450
  937    H    THR  11           HN       THR  11  37.075 -10.018  93.617
  938    HA   THR  11           HA       THR  11  37.171 -10.726  96.488
  939    HB   THR  11           HB       THR  11  34.648 -10.422  96.480
  940    HG1  THR  11           HG1      THR  11  35.024  -8.602  94.411
  941   HG21  THR  11          HG21      THR  11  34.894  -7.921  96.718
  942   HG22  THR  11          HG22      THR  11  36.547  -8.100  96.128
  943   HG23  THR  11          HG23      THR  11  36.060  -8.870  97.637
  944    H    LEU  12           HN       LEU  12  36.796 -11.752  93.264
  945    HA   LEU  12           HA       LEU  12  35.227 -14.093  93.945
  946    HB2  LEU  12           HB2      LEU  12  35.630 -12.572  91.611
  947    HB3  LEU  12           HB1      LEU  12  36.435 -14.098  91.266
  948    HG   LEU  12           HG       LEU  12  33.553 -13.684  92.097
  949   HD11  LEU  12          HD11      LEU  12  34.792 -14.939  89.628
  950   HD12  LEU  12          HD12      LEU  12  34.117 -13.310  89.705
  951   HD13  LEU  12          HD13      LEU  12  33.072 -14.709  89.930
  952   HD21  LEU  12          HD21      LEU  12  35.320 -16.068  92.319
  953   HD22  LEU  12          HD22      LEU  12  33.769 -16.364  91.539
  954   HD23  LEU  12          HD23      LEU  12  33.818 -15.694  93.160
  955    H    LYS  13           HN       LYS  13  36.225 -15.744  94.957
  956    HA   LYS  13           HA       LYS  13  38.797 -16.684  93.859
  957    HB2  LYS  13           HB2      LYS  13  38.228 -16.113  96.777
  958    HB3  LYS  13           HB1      LYS  13  39.511 -17.196  96.257
  959    HG2  LYS  13           HG2      LYS  13  40.821 -15.319  96.218
  960    HG3  LYS  13           HG1      LYS  13  40.038 -14.986  94.680
  961    HD2  LYS  13           HD2      LYS  13  38.192 -13.863  96.287
  962    HD3  LYS  13           HD1      LYS  13  39.580 -13.723  97.367
  963    HE2  LYS  13           HE2      LYS  13  39.595 -11.712  96.111
  964    HE3  LYS  13           HE1      LYS  13  40.816 -12.721  95.333
  965    HZ1  LYS  13           HZ1      LYS  13  38.096 -13.023  94.364
  966    HZ2  LYS  13           HZ2      LYS  13  39.556 -12.997  93.502
  967    HZ3  LYS  13           HZ3      LYS  13  38.839 -11.543  94.008
  968    H    GLY  14           HN       GLY  14  38.989 -18.800  93.687
  969    HA2  GLY  14           HA2      GLY  14  37.882 -20.818  95.218
  970    HA3  GLY  14           HA1      GLY  14  36.701 -20.471  93.954
  971    H    GLU  15           HN       GLU  15  37.097 -22.600  92.984
  972    HA   GLU  15           HA       GLU  15  39.583 -22.667  91.367
  973    HB2  GLU  15           HB2      GLU  15  38.176 -25.160  92.332
  974    HB3  GLU  15           HB1      GLU  15  39.754 -25.017  91.562
  975    HG2  GLU  15           HG2      GLU  15  39.129 -23.755  94.221
  976    HG3  GLU  15           HG1      GLU  15  39.740 -25.396  94.068
  977    H    THR  16           HN       THR  16  39.306 -23.889  89.338
  978    HA   THR  16           HA       THR  16  36.549 -24.382  88.495
  979    HB   THR  16           HB       THR  16  37.613 -22.942  86.316
  980    HG1  THR  16           HG1      THR  16  38.202 -21.775  88.815
  981   HG21  THR  16          HG21      THR  16  35.857 -21.318  86.859
  982   HG22  THR  16          HG22      THR  16  35.688 -22.038  88.461
  983   HG23  THR  16          HG23      THR  16  35.271 -22.973  87.025
  984    H    THR  17           HN       THR  17  36.399 -25.848  86.800
  985    HA   THR  17           HA       THR  17  38.897 -26.725  85.547
  986    HB   THR  17           HB       THR  17  37.176 -28.856  86.779
  987    HG1  THR  17           HG1      THR  17  37.806 -27.305  88.401
  988   HG21  THR  17          HG21      THR  17  39.111 -30.179  86.549
  989   HG22  THR  17          HG22      THR  17  40.168 -28.778  86.429
  990   HG23  THR  17          HG23      THR  17  39.112 -29.207  85.086
  991    H    THR  18           HN       THR  18  38.627 -28.159  83.785
  992    HA   THR  18           HA       THR  18  35.988 -28.645  82.730
  993    HB   THR  18           HB       THR  18  36.596 -26.253  82.076
  994    HG1  THR  18           HG1      THR  18  35.410 -28.146  80.809
  995   HG21  THR  18          HG21      THR  18  38.308 -25.848  80.535
  996   HG22  THR  18          HG22      THR  18  38.406 -27.539  80.050
  997   HG23  THR  18          HG23      THR  18  39.054 -27.033  81.608
  998    H    GLU  19           HN       GLU  19  36.041 -30.106  80.964
  999    HA   GLU  19           HA       GLU  19  38.528 -31.702  80.787
 1000    HB2  GLU  19           HB2      GLU  19  36.425 -32.821  81.556
 1001    HB3  GLU  19           HB1      GLU  19  35.674 -32.398  80.021
 1002    HG2  GLU  19           HG2      GLU  19  36.399 -34.581  79.605
 1003    HG3  GLU  19           HG1      GLU  19  37.742 -33.644  78.964
 1004    H    ALA  20           HN       ALA  20  39.726 -31.269  79.032
 1005    HA   ALA  20           HA       ALA  20  38.444 -31.060  76.407
 1006    HB1  ALA  20           HB1      ALA  20  39.486 -28.771  77.861
 1007    HB2  ALA  20           HB2      ALA  20  38.649 -28.799  76.313
 1008    HB3  ALA  20           HB3      ALA  20  40.399 -29.000  76.371
 1009    H    VAL  21           HN       VAL  21  40.004 -31.147  74.650
 1010    HA   VAL  21           HA       VAL  21  42.107 -33.062  75.195
 1011    HB   VAL  21           HB       VAL  21  40.988 -33.562  73.196
 1012   HG11  VAL  21          HG11      VAL  21  40.485 -31.726  71.499
 1013   HG12  VAL  21          HG12      VAL  21  40.937 -30.569  72.744
 1014   HG13  VAL  21          HG13      VAL  21  39.569 -31.648  73.000
 1015   HG21  VAL  21          HG21      VAL  21  42.560 -33.271  71.444
 1016   HG22  VAL  21          HG22      VAL  21  43.539 -33.181  72.909
 1017   HG23  VAL  21          HG23      VAL  21  43.089 -31.704  72.057
 1018    H    ASP  22           HN       ASP  22  41.690 -29.740  74.110
 1019    HA   ASP  22           HA       ASP  22  44.628 -29.330  74.270
 1020    HB2  ASP  22           HB2      ASP  22  42.522 -27.780  72.766
 1021    HB3  ASP  22           HB1      ASP  22  44.230 -27.353  72.847
 1022    H    ALA  23           HN       ALA  23  45.434 -27.411  75.115
 1023    HA   ALA  23           HA       ALA  23  44.107 -26.525  77.505
 1024    HB1  ALA  23           HB1      ALA  23  46.072 -25.117  77.798
 1025    HB2  ALA  23           HB2      ALA  23  46.601 -25.476  76.156
 1026    HB3  ALA  23           HB3      ALA  23  46.556 -26.755  77.366
 1027    H    ALA  24           HN       ALA  24  45.000 -25.016  74.414
 1028    HA   ALA  24           HA       ALA  24  44.045 -22.436  74.959
 1029    HB1  ALA  24           HB1      ALA  24  45.444 -23.005  72.980
 1030    HB2  ALA  24           HB2      ALA  24  43.992 -22.110  72.530
 1031    HB3  ALA  24           HB3      ALA  24  44.069 -23.853  72.273
 1032    H    THR  25           HN       THR  25  42.223 -25.370  73.736
 1033    HA   THR  25           HA       THR  25  39.805 -23.959  73.221
 1034    HB   THR  25           HB       THR  25  40.615 -26.410  72.521
 1035    HG1  THR  25           HG1      THR  25  37.885 -26.062  73.062
 1036   HG21  THR  25          HG21      THR  25  40.317 -27.102  75.055
 1037   HG22  THR  25          HG22      THR  25  39.787 -28.201  73.786
 1038   HG23  THR  25          HG23      THR  25  38.611 -27.192  74.628
 1039    H    ALA  26           HN       ALA  26  41.208 -25.443  76.085
 1040    HA   ALA  26           HA       ALA  26  38.863 -25.404  77.701
 1041    HB1  ALA  26           HB1      ALA  26  40.796 -26.862  78.179
 1042    HB2  ALA  26           HB2      ALA  26  40.414 -25.840  79.559
 1043    HB3  ALA  26           HB3      ALA  26  41.780 -25.442  78.523
 1044    H    GLU  27           HN       GLU  27  41.447 -23.163  77.092
 1045    HA   GLU  27           HA       GLU  27  40.919 -21.313  79.169
 1046    HB2  GLU  27           HB2      GLU  27  42.801 -20.298  78.372
 1047    HB3  GLU  27           HB1      GLU  27  42.910 -21.661  77.264
 1048    HG2  GLU  27           HG2      GLU  27  41.480 -20.341  75.640
 1049    HG3  GLU  27           HG1      GLU  27  41.633 -18.963  76.721
 1050    H    LYS  28           HN       LYS  28  39.553 -21.722  75.969
 1051    HA   LYS  28           HA       LYS  28  38.550 -19.157  75.541
 1052    HB2  LYS  28           HB2      LYS  28  37.263 -21.809  74.837
 1053    HB3  LYS  28           HB1      LYS  28  36.799 -20.246  74.164
 1054    HG2  LYS  28           HG2      LYS  28  39.266 -20.011  73.464
 1055    HG3  LYS  28           HG1      LYS  28  39.397 -21.735  73.804
 1056    HD2  LYS  28           HD2      LYS  28  37.558 -20.405  71.790
 1057    HD3  LYS  28           HD1      LYS  28  38.892 -21.506  71.448
 1058    HE2  LYS  28           HE2      LYS  28  37.599 -23.225  72.911
 1059    HE3  LYS  28           HE1      LYS  28  36.221 -22.150  72.735
 1060    HZ1  LYS  28           HZ1      LYS  28  37.111 -24.135  70.870
 1061    HZ2  LYS  28           HZ2      LYS  28  37.311 -22.627  70.117
 1062    HZ3  LYS  28           HZ3      LYS  28  35.783 -23.089  70.696
 1063    H    VAL  29           HN       VAL  29  37.172 -21.849  77.376
 1064    HA   VAL  29           HA       VAL  29  34.784 -20.452  78.084
 1065    HB   VAL  29           HB       VAL  29  36.045 -22.741  79.598
 1066   HG11  VAL  29          HG11      VAL  29  34.071 -21.584  80.597
 1067   HG12  VAL  29          HG12      VAL  29  33.721 -23.256  80.154
 1068   HG13  VAL  29          HG13      VAL  29  33.158 -21.935  79.130
 1069   HG21  VAL  29          HG21      VAL  29  34.643 -24.175  78.056
 1070   HG22  VAL  29          HG22      VAL  29  36.017 -23.398  77.270
 1071   HG23  VAL  29          HG23      VAL  29  34.394 -22.746  77.054
 1072    H    PHE  30           HN       PHE  30  37.764 -21.221  79.887
 1073    HA   PHE  30           HA       PHE  30  37.133 -19.873  82.251
 1074    HB2  PHE  30           HB2      PHE  30  39.834 -20.427  81.053
 1075    HB3  PHE  30           HB1      PHE  30  39.554 -19.915  82.706
 1076    HD1  PHE  30           HD2      PHE  30  37.288 -21.518  83.659
 1077    HD2  PHE  30           HD1      PHE  30  40.517 -22.653  81.042
 1078    HE1  PHE  30           HE2      PHE  30  36.989 -23.879  84.301
 1079    HE2  PHE  30           HE1      PHE  30  40.219 -25.009  81.723
 1080    HZ   PHE  30           HZ       PHE  30  38.458 -25.621  83.349
 1081    H    LYS  31           HN       LYS  31  38.979 -18.654  79.424
 1082    HA   LYS  31           HA       LYS  31  39.542 -16.163  80.688
 1083    HB2  LYS  31           HB2      LYS  31  39.710 -17.172  77.864
 1084    HB3  LYS  31           HB1      LYS  31  39.817 -15.437  78.144
 1085    HG2  LYS  31           HG2      LYS  31  41.637 -15.959  79.869
 1086    HG3  LYS  31           HG1      LYS  31  41.640 -17.600  79.221
 1087    HD2  LYS  31           HD2      LYS  31  42.191 -16.755  77.003
 1088    HD3  LYS  31           HD1      LYS  31  42.065 -15.096  77.574
 1089    HE2  LYS  31           HE2      LYS  31  43.953 -15.388  79.046
 1090    HE3  LYS  31           HE1      LYS  31  44.011 -17.118  78.702
 1091    HZ1  LYS  31           HZ1      LYS  31  45.213 -15.029  77.283
 1092    HZ2  LYS  31           HZ2      LYS  31  44.046 -15.743  76.275
 1093    HZ3  LYS  31           HZ3      LYS  31  45.277 -16.693  76.960
 1094    H    GLN  32           HN       GLN  32  36.992 -17.193  78.442
 1095    HA   GLN  32           HA       GLN  32  35.759 -14.621  78.332
 1096    HB2  GLN  32           HB2      GLN  32  35.535 -16.599  76.699
 1097    HB3  GLN  32           HB1      GLN  32  34.374 -17.253  77.852
 1098    HG2  GLN  32           HG2      GLN  32  33.008 -16.030  76.383
 1099    HG3  GLN  32           HG1      GLN  32  33.250 -14.903  77.713
 1100   HE21  GLN  32          HE21      GLN  32  33.356 -15.122  74.307
 1101   HE22  GLN  32          HE22      GLN  32  34.379 -13.804  73.998
 1102    H    TYR  33           HN       TYR  33  35.470 -17.451  80.369
 1103    HA   TYR  33           HA       TYR  33  33.067 -16.767  81.686
 1104    HB2  TYR  33           HB2      TYR  33  33.811 -19.018  81.785
 1105    HB3  TYR  33           HB1      TYR  33  35.407 -18.524  82.340
 1106    HD1  TYR  33           HD2      TYR  33  31.870 -18.883  83.285
 1107    HD2  TYR  33           HD1      TYR  33  35.840 -17.939  84.629
 1108    HE1  TYR  33           HE2      TYR  33  31.110 -19.035  85.641
 1109    HE2  TYR  33           HE1      TYR  33  35.080 -18.091  86.983
 1110    HH   TYR  33           HH       TYR  33  32.599 -19.587  88.019
 1111    H    ALA  34           HN       ALA  34  36.484 -16.122  82.368
 1112    HA   ALA  34           HA       ALA  34  36.194 -15.074  84.949
 1113    HB1  ALA  34           HB1      ALA  34  38.441 -14.654  84.782
 1114    HB2  ALA  34           HB2      ALA  34  38.263 -13.781  83.259
 1115    HB3  ALA  34           HB3      ALA  34  38.312 -15.539  83.266
 1116    H    ASN  35           HN       ASN  35  35.768 -13.493  81.736
 1117    HA   ASN  35           HA       ASN  35  35.510 -10.873  82.825
 1118    HB2  ASN  35           HB2      ASN  35  35.961 -11.788  80.350
 1119    HB3  ASN  35           HB1      ASN  35  34.211 -11.623  80.231
 1120   HD21  ASN  35          HD21      ASN  35  37.187  -9.685  81.090
 1121   HD22  ASN  35          HD22      ASN  35  36.498  -8.195  80.659
 1122    H    ASP  36           HN       ASP  36  33.248 -13.431  81.849
 1123    HA   ASP  36           HA       ASP  36  30.863 -11.987  82.295
 1124    HB2  ASP  36           HB2      ASP  36  31.083 -14.976  82.514
 1125    HB3  ASP  36           HB1      ASP  36  29.759 -14.006  81.865
 1126    H    ASN  37           HN       ASN  37  32.946 -13.730  84.557
 1127    HA   ASN  37           HA       ASN  37  30.813 -13.800  86.554
 1128    HB2  ASN  37           HB2      ASN  37  32.247 -15.169  87.822
 1129    HB3  ASN  37           HB1      ASN  37  32.411 -15.688  86.150
 1130   HD21  ASN  37          HD21      ASN  37  34.537 -16.466  87.578
 1131   HD22  ASN  37          HD22      ASN  37  35.874 -15.443  87.361
 1132    H    GLY  38           HN       GLY  38  33.631 -11.773  85.828
 1133    HA2  GLY  38           HA2      GLY  38  33.326  -9.502  86.855
 1134    HA3  GLY  38           HA1      GLY  38  33.151 -10.328  88.390
 1135    H    VAL  39           HN       VAL  39  35.545 -12.084  86.937
 1136    HA   VAL  39           HA       VAL  39  37.674 -10.251  87.937
 1137    HB   VAL  39           HB       VAL  39  37.599 -11.935  89.565
 1138   HG11  VAL  39          HG11      VAL  39  37.310 -13.962  87.336
 1139   HG12  VAL  39          HG12      VAL  39  36.019 -13.408  88.395
 1140   HG13  VAL  39          HG13      VAL  39  37.364 -14.324  89.061
 1141   HG21  VAL  39          HG21      VAL  39  39.874 -11.648  88.446
 1142   HG22  VAL  39          HG22      VAL  39  39.535 -13.140  87.579
 1143   HG23  VAL  39          HG23      VAL  39  39.649 -13.152  89.335
 1144    H    ASP  40           HN       ASP  40  38.712  -9.480  86.252
 1145    HA   ASP  40           HA       ASP  40  39.726 -11.361  84.193
 1146    HB2  ASP  40           HB2      ASP  40  37.828  -9.733  83.472
 1147    HB3  ASP  40           HB1      ASP  40  39.059  -8.480  83.588
 1148    H    GLY  41           HN       GLY  41  41.952 -11.494  84.618
 1149    HA2  GLY  41           HA2      GLY  41  43.397  -8.922  84.893
 1150    HA3  GLY  41           HA1      GLY  41  43.633 -10.158  86.111
 1151    H    GLU  42           HN       GLU  42  45.927 -10.299  85.608
 1152    HA   GLU  42           HA       GLU  42  46.792 -10.905  82.973
 1153    HB2  GLU  42           HB2      GLU  42  48.460 -11.494  85.391
 1154    HB3  GLU  42           HB1      GLU  42  48.949 -10.837  83.834
 1155    HG2  GLU  42           HG2      GLU  42  47.430  -9.399  86.025
 1156    HG3  GLU  42           HG1      GLU  42  49.056  -9.047  85.451
 1157    H    TRP  43           HN       TRP  43  47.619 -12.937  82.251
 1158    HA   TRP  43           HA       TRP  43  46.535 -15.273  83.735
 1159    HB2  TRP  43           HB2      TRP  43  46.603 -14.704  80.783
 1160    HB3  TRP  43           HB1      TRP  43  46.155 -16.258  81.481
 1161    HD1  TRP  43           HD1      TRP  43  44.877 -12.615  81.234
 1162    HE1  TRP  43           HE1      TRP  43  42.354 -12.651  81.783
 1163    HE3  TRP  43           HE3      TRP  43  44.397 -17.462  82.612
 1164    HZ2  TRP  43           HZ2      TRP  43  40.387 -14.538  82.671
 1165    HZ3  TRP  43           HZ3      TRP  43  42.217 -18.371  83.287
 1166    HH2  TRP  43           HH2      TRP  43  40.204 -16.926  83.324
 1167    H    THR  44           HN       THR  44  47.597 -17.011  83.814
 1168    HA   THR  44           HA       THR  44  50.019 -17.431  82.254
 1169    HB   THR  44           HB       THR  44  50.794 -16.788  84.425
 1170    HG1  THR  44           HG1      THR  44  51.484 -18.823  83.314
 1171   HG21  THR  44          HG21      THR  44  49.980 -18.194  86.413
 1172   HG22  THR  44          HG22      THR  44  48.646 -18.670  85.370
 1173   HG23  THR  44          HG23      THR  44  48.876 -16.973  85.785
 1174    H    TYR  45           HN       TYR  45  50.376 -19.802  81.678
 1175    HA   TYR  45           HA       TYR  45  48.011 -21.400  82.492
 1176    HB2  TYR  45           HB2      TYR  45  47.489 -20.915  80.247
 1177    HB3  TYR  45           HB1      TYR  45  49.163 -21.107  79.733
 1178    HD1  TYR  45           HD1      TYR  45  47.053 -23.323  81.948
 1179    HD2  TYR  45           HD2      TYR  45  49.204 -22.932  78.245
 1180    HE1  TYR  45           HE1      TYR  45  46.731 -25.723  81.513
 1181    HE2  TYR  45           HE2      TYR  45  48.873 -25.350  77.814
 1182    HH   TYR  45           HH       TYR  45  47.726 -27.501  80.242
 1183    H    ASP  46           HN       ASP  46  48.622 -23.046  83.683
 1184    HA   ASP  46           HA       ASP  46  51.322 -24.015  83.228
 1185    HB2  ASP  46           HB2      ASP  46  50.346 -23.868  85.667
 1186    HB3  ASP  46           HB1      ASP  46  49.415 -25.297  85.204
 1187    H    ASP  47           HN       ASP  47  51.644 -25.301  81.568
 1188    HA   ASP  47           HA       ASP  47  49.471 -27.209  80.866
 1189    HB2  ASP  47           HB2      ASP  47  50.899 -25.704  79.152
 1190    HB3  ASP  47           HB1      ASP  47  52.012 -27.065  79.291
 1191    H    ALA  48           HN       ALA  48  52.265 -26.760  82.513
 1192    HA   ALA  48           HA       ALA  48  53.527 -29.281  82.300
 1193    HB1  ALA  48           HB1      ALA  48  54.309 -26.865  83.066
 1194    HB2  ALA  48           HB2      ALA  48  55.042 -28.301  83.782
 1195    HB3  ALA  48           HB3      ALA  48  53.785 -27.428  84.655
 1196    H    THR  49           HN       THR  49  50.916 -27.954  84.228
 1197    HA   THR  49           HA       THR  49  50.377 -30.531  85.545
 1198    HB   THR  49           HB       THR  49  49.422 -28.963  87.454
 1199    HG1  THR  49           HG1      THR  49  51.498 -27.326  86.462
 1200   HG21  THR  49          HG21      THR  49  52.368 -29.454  87.028
 1201   HG22  THR  49          HG22      THR  49  51.226 -30.481  87.895
 1202   HG23  THR  49          HG23      THR  49  51.672 -28.906  88.553
 1203    H    LYS  50           HN       LYS  50  49.411 -28.358  83.271
 1204    HA   LYS  50           HA       LYS  50  47.404 -27.803  82.306
 1205    HB2  LYS  50           HB2      LYS  50  46.097 -29.965  83.953
 1206    HB3  LYS  50           HB1      LYS  50  45.677 -29.407  82.335
 1207    HG2  LYS  50           HG2      LYS  50  48.221 -30.900  83.058
 1208    HG3  LYS  50           HG1      LYS  50  46.812 -31.610  82.280
 1209    HD2  LYS  50           HD2      LYS  50  47.081 -30.011  80.391
 1210    HD3  LYS  50           HD1      LYS  50  48.540 -29.389  81.156
 1211    HE2  LYS  50           HE2      LYS  50  49.705 -31.419  80.881
 1212    HE3  LYS  50           HE1      LYS  50  48.230 -32.321  80.538
 1213    HZ1  LYS  50           HZ1      LYS  50  48.133 -30.483  78.629
 1214    HZ2  LYS  50           HZ2      LYS  50  48.884 -31.993  78.426
 1215    HZ3  LYS  50           HZ3      LYS  50  49.814 -30.621  78.798
 1216    H    THR  51           HN       THR  51  48.073 -26.088  84.279
 1217    HA   THR  51           HA       THR  51  45.450 -25.523  85.511
 1218    HB   THR  51           HB       THR  51  48.050 -25.740  87.048
 1219    HG1  THR  51           HG1      THR  51  47.077 -27.381  87.917
 1220   HG21  THR  51          HG21      THR  51  46.627 -24.844  88.988
 1221   HG22  THR  51          HG22      THR  51  45.498 -24.270  87.763
 1222   HG23  THR  51          HG23      THR  51  47.148 -23.653  87.797
 1223    H    PHE  52           HN       PHE  52  44.829 -23.392  85.128
 1224    HA   PHE  52           HA       PHE  52  46.998 -21.438  84.598
 1225    HB2  PHE  52           HB2      PHE  52  44.420 -20.422  83.756
 1226    HB3  PHE  52           HB1      PHE  52  45.864 -20.651  82.811
 1227    HD1  PHE  52           HD2      PHE  52  43.317 -22.940  84.383
 1228    HD2  PHE  52           HD1      PHE  52  45.455 -21.808  80.847
 1229    HE1  PHE  52           HE2      PHE  52  42.118 -24.677  83.101
 1230    HE2  PHE  52           HE1      PHE  52  44.250 -23.532  79.559
 1231    HZ   PHE  52           HZ       PHE  52  42.582 -24.968  80.678
 1232    H    THR  53           HN       THR  53  46.571 -19.207  85.339
 1233    HA   THR  53           HA       THR  53  44.617 -19.004  87.539
 1234    HB   THR  53           HB       THR  53  46.325 -17.935  88.990
 1235    HG1  THR  53           HG1      THR  53  48.535 -18.853  87.976
 1236   HG21  THR  53          HG21      THR  53  45.960 -20.674  88.576
 1237   HG22  THR  53          HG22      THR  53  46.800 -19.954  89.941
 1238   HG23  THR  53          HG23      THR  53  47.704 -20.480  88.523
 1239    H    VAL  54           HN       VAL  54  43.576 -16.935  87.545
 1240    HA   VAL  54           HA       VAL  54  44.820 -14.870  85.819
 1241    HB   VAL  54           HB       VAL  54  42.632 -15.702  85.003
 1242   HG11  VAL  54          HG11      VAL  54  40.621 -15.299  86.242
 1243   HG12  VAL  54          HG12      VAL  54  41.484 -14.353  87.452
 1244   HG13  VAL  54          HG13      VAL  54  41.738 -16.093  87.352
 1245   HG21  VAL  54          HG21      VAL  54  41.715 -13.469  84.586
 1246   HG22  VAL  54          HG22      VAL  54  43.475 -13.376  84.556
 1247   HG23  VAL  54          HG23      VAL  54  42.587 -12.820  85.974
 1248    H    THR  55           HN       THR  55  45.524 -13.052  86.793
 1249    HA   THR  55           HA       THR  55  44.478 -12.362  89.484
 1250    HB   THR  55           HB       THR  55  46.892 -13.379  89.239
 1251    HG1  THR  55           HG1      THR  55  47.530 -11.708  90.879
 1252   HG21  THR  55          HG21      THR  55  47.476 -11.678  87.433
 1253   HG22  THR  55          HG22      THR  55  48.624 -11.810  88.748
 1254   HG23  THR  55          HG23      THR  55  47.506 -10.461  88.705
 1255    H    GLU  56           HN       GLU  56  43.534 -10.367  89.596
 1256    HA   GLU  56           HA       GLU  56  44.324  -8.328  87.581
 1257    HB2  GLU  56           HB2      GLU  56  41.984  -7.366  88.398
 1258    HB3  GLU  56           HB1      GLU  56  42.059  -8.643  87.183
 1259    HG2  GLU  56           HG2      GLU  56  41.725 -10.346  88.885
 1260    HG3  GLU  56           HG1      GLU  56  41.753  -9.123  90.156
 1261    H1   MET   1           HT1      MET   1  63.951 -16.471  99.242
 1262    H2   MET   1           HT2      MET   1  62.321 -16.598  98.787
 1263    H3   MET   1           HT3      MET   1  63.215 -17.995  99.143
 1264    HA   MET   1           HA       MET   1  62.694 -15.856 101.106
 1265    HB2  MET   1           HB2      MET   1  60.582 -16.634 101.332
 1266    HB3  MET   1           HB1      MET   1  60.842 -17.657  99.947
 1267    HG2  MET   1           HG2      MET   1  61.896 -19.351 101.622
 1268    HG3  MET   1           HG1      MET   1  61.149 -18.356 102.872
 1269    HE1  MET   1           HE1      MET   1  59.445 -20.936  99.637
 1270    HE2  MET   1           HE2      MET   1  60.907 -19.957  99.621
 1271    HE3  MET   1           HE3      MET   1  59.362 -19.244  99.182
 1272    H    GLN   2           HN       GLN   2  62.785 -17.095 103.336
 1273    HA   GLN   2           HA       GLN   2  65.191 -18.828 103.288
 1274    HB2  GLN   2           HB2      GLN   2  64.514 -16.547 105.159
 1275    HB3  GLN   2           HB1      GLN   2  65.823 -17.695 105.434
 1276    HG2  GLN   2           HG2      GLN   2  66.940 -17.002 103.397
 1277    HG3  GLN   2           HG1      GLN   2  65.576 -15.978 102.949
 1278   HE21  GLN   2          HE21      GLN   2  65.423 -15.223 106.084
 1279   HE22  GLN   2          HE22      GLN   2  66.626 -14.033 106.223
 1280    H    TYR   3           HN       TYR   3  65.234 -20.529 104.627
 1281    HA   TYR   3           HA       TYR   3  62.895 -20.972 106.384
 1282    HB2  TYR   3           HB2      TYR   3  64.664 -23.137 105.278
 1283    HB3  TYR   3           HB1      TYR   3  63.074 -23.285 106.035
 1284    HD1  TYR   3           HD2      TYR   3  64.884 -22.025 103.066
 1285    HD2  TYR   3           HD1      TYR   3  61.072 -23.016 104.781
 1286    HE1  TYR   3           HE2      TYR   3  63.822 -21.806 100.838
 1287    HE2  TYR   3           HE1      TYR   3  60.014 -22.795 102.550
 1288    HH   TYR   3           HH       TYR   3  60.491 -22.739 100.295
 1289    H    LYS   4           HN       LYS   4  63.339 -21.835 108.428
 1290    HA   LYS   4           HA       LYS   4  66.184 -21.564 109.283
 1291    HB2  LYS   4           HB2      LYS   4  64.592 -19.781 110.061
 1292    HB3  LYS   4           HB1      LYS   4  63.703 -21.027 110.928
 1293    HG2  LYS   4           HG2      LYS   4  65.705 -21.555 112.257
 1294    HG3  LYS   4           HG1      LYS   4  66.626 -20.335 111.373
 1295    HD2  LYS   4           HD2      LYS   4  65.254 -18.549 112.229
 1296    HD3  LYS   4           HD1      LYS   4  64.087 -19.685 112.901
 1297    HE2  LYS   4           HE2      LYS   4  65.366 -19.027 114.771
 1298    HE3  LYS   4           HE1      LYS   4  66.074 -20.574 114.312
 1299    HZ1  LYS   4           HZ1      LYS   4  67.811 -18.991 114.671
 1300    HZ2  LYS   4           HZ2      LYS   4  67.091 -17.878 113.607
 1301    HZ3  LYS   4           HZ3      LYS   4  67.734 -19.333 113.011
 1302    H    LEU   5           HN       LEU   5  67.109 -23.344 110.177
 1303    HA   LEU   5           HA       LEU   5  65.327 -25.516 111.124
 1304    HB2  LEU   5           HB2      LEU   5  66.804 -26.174 109.274
 1305    HB3  LEU   5           HB1      LEU   5  68.195 -25.634 110.179
 1306    HG   LEU   5           HG       LEU   5  67.604 -28.194 110.062
 1307   HD11  LEU   5          HD11      LEU   5  69.475 -27.371 111.322
 1308   HD12  LEU   5          HD12      LEU   5  68.619 -28.579 112.271
 1309   HD13  LEU   5          HD13      LEU   5  68.427 -26.875 112.647
 1310   HD21  LEU   5          HD21      LEU   5  65.236 -27.759 111.013
 1311   HD22  LEU   5          HD22      LEU   5  66.051 -27.628 112.566
 1312   HD23  LEU   5          HD23      LEU   5  66.158 -29.114 111.647
 1313    H    ILE   6           HN       ILE   6  65.293 -26.039 113.182
 1314    HA   ILE   6           HA       ILE   6  67.130 -24.655 115.035
 1315    HB   ILE   6           HB       ILE   6  64.681 -26.309 115.703
 1316   HG12  ILE   6          HG12      ILE   6  63.955 -24.471 114.287
 1317   HG13  ILE   6          HG11      ILE   6  63.518 -24.109 115.954
 1318   HG21  ILE   6          HG21      ILE   6  66.231 -26.018 117.537
 1319   HG22  ILE   6          HG22      ILE   6  64.828 -24.986 117.818
 1320   HG23  ILE   6          HG23      ILE   6  66.335 -24.284 117.228
 1321   HD11  ILE   6          HD11      ILE   6  65.741 -22.938 114.290
 1322   HD12  ILE   6          HD12      ILE   6  65.747 -22.821 116.049
 1323   HD13  ILE   6          HD13      ILE   6  64.434 -22.101 115.124
 1324    H    LEU   7           HN       LEU   7  68.638 -25.752 116.074
 1325    HA   LEU   7           HA       LEU   7  68.877 -28.621 115.534
 1326    HB2  LEU   7           HB2      LEU   7  70.744 -26.505 116.583
 1327    HB3  LEU   7           HB1      LEU   7  71.108 -28.209 116.829
 1328    HG   LEU   7           HG       LEU   7  70.559 -28.254 114.149
 1329   HD11  LEU   7          HD11      LEU   7  70.215 -25.734 114.230
 1330   HD12  LEU   7          HD12      LEU   7  71.396 -26.307 113.052
 1331   HD13  LEU   7          HD13      LEU   7  71.939 -25.601 114.572
 1332   HD21  LEU   7          HD21      LEU   7  72.591 -29.106 115.254
 1333   HD22  LEU   7          HD22      LEU   7  73.196 -27.456 115.401
 1334   HD23  LEU   7          HD23      LEU   7  72.989 -28.180 113.808
 1335    H    ASN   8           HN       ASN   8  67.934 -29.944 116.846
 1336    HA   ASN   8           HA       ASN   8  68.189 -29.555 119.756
 1337    HB2  ASN   8           HB2      ASN   8  65.901 -28.969 119.126
 1338    HB3  ASN   8           HB1      ASN   8  65.752 -30.470 118.212
 1339   HD21  ASN   8          HD21      ASN   8  64.005 -31.254 119.603
 1340   HD22  ASN   8          HD22      ASN   8  64.314 -31.773 121.190
 1341    H    GLY   9           HN       GLY   9  69.982 -30.983 119.585
 1342    HA2  GLY   9           HA2      GLY   9  69.277 -33.789 118.909
 1343    HA3  GLY   9           HA1      GLY   9  70.858 -33.089 118.596
 1344    H    LYS  10           HN       LYS  10  71.699 -34.862 119.850
 1345    HA   LYS  10           HA       LYS  10  71.051 -35.101 122.616
 1346    HB2  LYS  10           HB2      LYS  10  73.607 -36.066 121.313
 1347    HB3  LYS  10           HB1      LYS  10  72.787 -36.735 122.726
 1348    HG2  LYS  10           HG2      LYS  10  70.819 -37.266 121.264
 1349    HG3  LYS  10           HG1      LYS  10  71.756 -36.735 119.871
 1350    HD2  LYS  10           HD2      LYS  10  72.823 -38.856 121.735
 1351    HD3  LYS  10           HD1      LYS  10  71.712 -39.274 120.433
 1352    HE2  LYS  10           HE2      LYS  10  73.269 -38.162 118.813
 1353    HE3  LYS  10           HE1      LYS  10  74.407 -37.912 120.137
 1354    HZ1  LYS  10           HZ1      LYS  10  74.092 -40.184 118.571
 1355    HZ2  LYS  10           HZ2      LYS  10  73.550 -40.593 120.128
 1356    HZ3  LYS  10           HZ3      LYS  10  75.119 -39.978 119.904
 1357    H    THR  11           HN       THR  11  73.852 -33.574 120.905
 1358    HA   THR  11           HA       THR  11  74.171 -31.813 123.259
 1359    HB   THR  11           HB       THR  11  76.669 -31.925 122.802
 1360    HG1  THR  11           HG1      THR  11  76.229 -34.433 121.700
 1361   HG21  THR  11          HG21      THR  11  76.848 -34.133 123.999
 1362   HG22  THR  11          HG22      THR  11  75.112 -34.334 123.752
 1363   HG23  THR  11          HG23      THR  11  75.716 -32.996 124.728
 1364    H    LEU  12           HN       LEU  12  73.819 -32.102 119.882
 1365    HA   LEU  12           HA       LEU  12  75.114 -29.574 119.300
 1366    HB2  LEU  12           HB2      LEU  12  74.546 -31.906 117.831
 1367    HB3  LEU  12           HB1      LEU  12  73.467 -30.701 117.139
 1368    HG   LEU  12           HG       LEU  12  76.478 -30.539 117.403
 1369   HD11  LEU  12          HD11      LEU  12  74.646 -30.435 114.987
 1370   HD12  LEU  12          HD12      LEU  12  75.567 -31.851 115.498
 1371   HD13  LEU  12          HD13      LEU  12  76.406 -30.399 114.964
 1372   HD21  LEU  12          HD21      LEU  12  74.433 -28.395 117.132
 1373   HD22  LEU  12          HD22      LEU  12  75.756 -28.309 115.974
 1374   HD23  LEU  12          HD23      LEU  12  76.098 -28.300 117.695
 1375    H    LYS  13           HN       LYS  13  74.074 -27.733 119.830
 1376    HA   LYS  13           HA       LYS  13  71.240 -27.478 119.049
 1377    HB2  LYS  13           HB2      LYS  13  72.383 -26.828 121.777
 1378    HB3  LYS  13           HB1      LYS  13  70.884 -26.125 121.187
 1379    HG2  LYS  13           HG2      LYS  13  69.880 -27.955 122.125
 1380    HG3  LYS  13           HG1      LYS  13  70.422 -28.804 120.685
 1381    HD2  LYS  13           HD2      LYS  13  72.666 -29.083 122.147
 1382    HD3  LYS  13           HD1      LYS  13  71.523 -28.891 123.478
 1383    HE2  LYS  13           HE2      LYS  13  71.585 -31.226 123.079
 1384    HE3  LYS  13           HE1      LYS  13  70.114 -30.687 122.269
 1385    HZ1  LYS  13           HZ1      LYS  13  72.554 -30.597 120.696
 1386    HZ2  LYS  13           HZ2      LYS  13  70.985 -31.053 120.239
 1387    HZ3  LYS  13           HZ3      LYS  13  71.981 -32.145 121.074
 1388    H    GLY  14           HN       GLY  14  70.709 -25.617 118.162
 1389    HA2  GLY  14           HA2      GLY  14  71.748 -23.087 118.566
 1390    HA3  GLY  14           HA1      GLY  14  72.730 -23.813 117.291
 1391    H    GLU  15           HN       GLU  15  71.853 -22.264 115.718
 1392    HA   GLU  15           HA       GLU  15  69.140 -23.012 114.778
 1393    HB2  GLU  15           HB2      GLU  15  70.301 -20.245 114.431
 1394    HB3  GLU  15           HB1      GLU  15  68.652 -20.789 114.133
 1395    HG2  GLU  15           HG2      GLU  15  69.915 -20.870 116.862
 1396    HG3  GLU  15           HG1      GLU  15  69.047 -19.468 116.259
 1397    H    THR  16           HN       THR  16  68.864 -22.663 112.435
 1398    HA   THR  16           HA       THR  16  71.321 -22.328 110.881
 1399    HB   THR  16           HB       THR  16  70.124 -24.580 109.673
 1400    HG1  THR  16           HG1      THR  16  70.159 -24.707 112.488
 1401   HG21  THR  16          HG21      THR  16  72.180 -25.726 110.374
 1402   HG22  THR  16          HG22      THR  16  72.518 -24.419 111.508
 1403   HG23  THR  16          HG23      THR  16  72.519 -24.103 109.772
 1404    H    THR  17           HN       THR  17  70.945 -21.620 108.783
 1405    HA   THR  17           HA       THR  17  68.165 -21.508 107.869
 1406    HB   THR  17           HB       THR  17  69.697 -18.926 107.837
 1407    HG1  THR  17           HG1      THR  17  69.626 -19.746 110.005
 1408   HG21  THR  17          HG21      THR  17  67.559 -17.971 107.570
 1409   HG22  THR  17          HG22      THR  17  66.742 -19.396 108.202
 1410   HG23  THR  17          HG23      THR  17  67.470 -19.433 106.600
 1411    H    THR  18           HN       THR  18  67.895 -20.855 105.699
 1412    HA   THR  18           HA       THR  18  70.195 -20.588 103.978
 1413    HB   THR  18           HB       THR  18  69.887 -23.088 104.387
 1414    HG1  THR  18           HG1      THR  18  70.541 -21.769 102.312
 1415   HG21  THR  18          HG21      THR  18  68.018 -24.209 103.548
 1416   HG22  THR  18          HG22      THR  18  67.559 -22.867 102.500
 1417   HG23  THR  18          HG23      THR  18  67.286 -22.759 104.238
 1418    H    GLU  19           HN       GLU  19  69.588 -19.935 101.859
 1419    HA   GLU  19           HA       GLU  19  66.883 -18.739 101.679
 1420    HB2  GLU  19           HB2      GLU  19  68.922 -17.274 101.490
 1421    HB3  GLU  19           HB1      GLU  19  69.388 -18.187 100.059
 1422    HG2  GLU  19           HG2      GLU  19  68.259 -16.401  99.080
 1423    HG3  GLU  19           HG1      GLU  19  66.948 -17.564  99.227
 1424    H    ALA  20           HN       ALA  20  65.441 -19.830 100.409
 1425    HA   ALA  20           HA       ALA  20  66.340 -20.998  97.890
 1426    HB1  ALA  20           HB1      ALA  20  65.961 -22.590 100.282
 1427    HB2  ALA  20           HB2      ALA  20  66.471 -23.127  98.685
 1428    HB3  ALA  20           HB3      ALA  20  64.755 -23.057  99.085
 1429    H    VAL  21           HN       VAL  21  64.551 -21.741  96.581
 1430    HA   VAL  21           HA       VAL  21  62.276 -19.977  96.820
 1431    HB   VAL  21           HB       VAL  21  62.926 -20.232  94.586
 1432   HG11  VAL  21          HG11      VAL  21  63.482 -22.542  93.665
 1433   HG12  VAL  21          HG12      VAL  21  63.480 -23.098  95.334
 1434   HG13  VAL  21          HG13      VAL  21  64.627 -21.865  94.818
 1435   HG21  VAL  21          HG21      VAL  21  61.160 -21.355  93.474
 1436   HG22  VAL  21          HG22      VAL  21  60.467 -21.000  95.055
 1437   HG23  VAL  21          HG23      VAL  21  61.072 -22.613  94.702
 1438    H    ASP  22           HN       ASP  22  63.027 -23.422  96.987
 1439    HA   ASP  22           HA       ASP  22  60.261 -23.935  97.934
 1440    HB2  ASP  22           HB2      ASP  22  62.329 -25.810  96.808
 1441    HB3  ASP  22           HB1      ASP  22  60.748 -26.295  97.415
 1442    H    ALA  23           HN       ALA  23  59.878 -25.268  99.651
 1443    HA   ALA  23           HA       ALA  23  61.706 -25.006 101.856
 1444    HB1  ALA  23           HB1      ALA  23  60.014 -26.269 103.100
 1445    HB2  ALA  23           HB2      ALA  23  59.169 -26.638 101.599
 1446    HB3  ALA  23           HB3      ALA  23  59.255 -24.975 102.174
 1447    H    ALA  24           HN       ALA  24  60.510 -27.684  99.845
 1448    HA   ALA  24           HA       ALA  24  61.901 -29.773 101.108
 1449    HB1  ALA  24           HB1      ALA  24  60.098 -30.131  99.432
 1450    HB2  ALA  24           HB2      ALA  24  61.557 -31.041  99.040
 1451    HB3  ALA  24           HB3      ALA  24  61.182 -29.555  98.166
 1452    H    THR  25           HN       THR  25  63.047 -27.525  98.427
 1453    HA   THR  25           HA       THR  25  65.501 -28.893  98.001
 1454    HB   THR  25           HB       THR  25  64.306 -26.997  96.576
 1455    HG1  THR  25           HG1      THR  25  67.089 -26.838  96.645
 1456   HG21  THR  25          HG21      THR  25  64.898 -25.317  98.556
 1457   HG22  THR  25          HG22      THR  25  65.013 -24.790  96.881
 1458   HG23  THR  25          HG23      THR  25  66.465 -25.270  97.756
 1459    H    ALA  26           HN       ALA  26  64.459 -26.473 100.319
 1460    HA   ALA  26           HA       ALA  26  67.039 -25.730 101.266
 1461    HB1  ALA  26           HB1      ALA  26  65.063 -24.309 101.599
 1462    HB2  ALA  26           HB2      ALA  26  65.791 -24.724 103.147
 1463    HB3  ALA  26           HB3      ALA  26  64.331 -25.550 102.615
 1464    H    GLU  27           HN       GLU  27  64.737 -28.192 102.110
 1465    HA   GLU  27           HA       GLU  27  65.888 -29.057 104.550
 1466    HB2  GLU  27           HB2      GLU  27  64.055 -30.413 104.609
 1467    HB3  GLU  27           HB1      GLU  27  63.565 -29.609 103.122
 1468    HG2  GLU  27           HG2      GLU  27  64.869 -31.369 101.845
 1469    HG3  GLU  27           HG1      GLU  27  65.101 -32.212 103.370
 1470    H    LYS  28           HN       LYS  28  66.590 -29.832 101.205
 1471    HA   LYS  28           HA       LYS  28  67.866 -32.287 101.536
 1472    HB2  LYS  28           HB2      LYS  28  68.582 -30.037  99.639
 1473    HB3  LYS  28           HB1      LYS  28  69.162 -31.698  99.502
 1474    HG2  LYS  28           HG2      LYS  28  66.688 -32.389  99.507
 1475    HG3  LYS  28           HG1      LYS  28  66.332 -30.686  99.228
 1476    HD2  LYS  28           HD2      LYS  28  67.962 -32.536  97.459
 1477    HD3  LYS  28           HD1      LYS  28  66.439 -31.743  97.058
 1478    HE2  LYS  28           HE2      LYS  28  67.696 -29.510  97.458
 1479    HE3  LYS  28           HE1      LYS  28  69.171 -30.465  97.407
 1480    HZ1  LYS  28           HZ1      LYS  28  67.685 -29.449  95.170
 1481    HZ2  LYS  28           HZ2      LYS  28  67.617 -31.144  95.090
 1482    HZ3  LYS  28           HZ3      LYS  28  69.121 -30.356  95.122
 1483    H    VAL  29           HN       VAL  29  69.142 -29.006 101.898
 1484    HA   VAL  29           HA       VAL  29  71.801 -29.853 102.510
 1485    HB   VAL  29           HB       VAL  29  70.502 -27.250 103.323
 1486   HG11  VAL  29          HG11      VAL  29  72.765 -27.785 104.226
 1487   HG12  VAL  29          HG12      VAL  29  72.786 -26.398 103.136
 1488   HG13  VAL  29          HG13      VAL  29  73.352 -27.971 102.573
 1489   HG21  VAL  29          HG21      VAL  29  71.371 -26.426 101.104
 1490   HG22  VAL  29          HG22      VAL  29  70.034 -27.568 100.964
 1491   HG23  VAL  29          HG23      VAL  29  71.687 -28.106 100.665
 1492    H    PHE  30           HN       PHE  30  69.114 -28.657 104.523
 1493    HA   PHE  30           HA       PHE  30  70.349 -28.935 107.014
 1494    HB2  PHE  30           HB2      PHE  30  67.427 -29.081 106.319
 1495    HB3  PHE  30           HB1      PHE  30  68.066 -28.895 107.940
 1496    HD1  PHE  30           HD2      PHE  30  70.206 -26.887 107.709
 1497    HD2  PHE  30           HD1      PHE  30  66.416 -27.087 105.672
 1498    HE1  PHE  30           HE2      PHE  30  70.251 -24.447 107.366
 1499    HE2  PHE  30           HE1      PHE  30  66.468 -24.637 105.366
 1500    HZ   PHE  30           HZ       PHE  30  68.383 -23.320 106.209
 1501    H    LYS  31           HN       LYS  31  68.242 -31.277 105.295
 1502    HA   LYS  31           HA       LYS  31  68.273 -33.122 107.465
 1503    HB2  LYS  31           HB2      LYS  31  67.491 -33.301 104.569
 1504    HB3  LYS  31           HB1      LYS  31  67.671 -34.792 105.491
 1505    HG2  LYS  31           HG2      LYS  31  66.114 -33.720 107.239
 1506    HG3  LYS  31           HG1      LYS  31  65.764 -32.500 106.014
 1507    HD2  LYS  31           HD2      LYS  31  64.964 -34.215 104.485
 1508    HD3  LYS  31           HD1      LYS  31  65.442 -35.483 105.607
 1509    HE2  LYS  31           HE2      LYS  31  63.820 -34.749 107.234
 1510    HE3  LYS  31           HE1      LYS  31  63.433 -33.321 106.270
 1511    HZ1  LYS  31           HZ1      LYS  31  62.353 -35.897 106.071
 1512    HZ2  LYS  31           HZ2      LYS  31  63.187 -35.560 104.629
 1513    HZ3  LYS  31           HZ3      LYS  31  61.958 -34.517 105.168
 1514    H    GLN  32           HN       GLN  32  70.227 -32.859 104.515
 1515    HA   GLN  32           HA       GLN  32  71.782 -35.182 105.091
 1516    HB2  GLN  32           HB2      GLN  32  71.422 -33.989 102.839
 1517    HB3  GLN  32           HB1      GLN  32  72.659 -32.860 103.386
 1518    HG2  GLN  32           HG2      GLN  32  73.909 -34.464 102.208
 1519    HG3  GLN  32           HG1      GLN  32  74.072 -34.997 103.879
 1520   HE21  GLN  32          HE21      GLN  32  73.335 -36.130 100.741
 1521   HE22  GLN  32          HE22      GLN  32  72.477 -37.530 101.172
 1522    H    TYR  33           HN       TYR  33  72.005 -31.770 105.827
 1523    HA   TYR  33           HA       TYR  33  74.676 -31.711 106.737
 1524    HB2  TYR  33           HB2      TYR  33  73.627 -29.661 106.172
 1525    HB3  TYR  33           HB1      TYR  33  72.246 -30.017 107.205
 1526    HD1  TYR  33           HD2      TYR  33  75.801 -29.064 107.158
 1527    HD2  TYR  33           HD1      TYR  33  72.309 -29.688 109.580
 1528    HE1  TYR  33           HE2      TYR  33  76.926 -27.951 109.068
 1529    HE2  TYR  33           HE1      TYR  33  73.434 -28.576 111.490
 1530    HH   TYR  33           HH       TYR  33  75.820 -26.624 111.331
 1531    H    ALA  34           HN       ALA  34  71.574 -32.276 108.358
 1532    HA   ALA  34           HA       ALA  34  72.483 -32.219 111.007
 1533    HB1  ALA  34           HB1      ALA  34  70.339 -32.847 111.526
 1534    HB2  ALA  34           HB2      ALA  34  70.351 -34.193 110.384
 1535    HB3  ALA  34           HB3      ALA  34  70.054 -32.552 109.813
 1536    H    ASN  35           HN       ASN  35  72.542 -34.893 108.589
 1537    HA   ASN  35           HA       ASN  35  73.371 -36.860 110.475
 1538    HB2  ASN  35           HB2      ASN  35  72.361 -37.012 108.000
 1539    HB3  ASN  35           HB1      ASN  35  74.066 -37.089 107.569
 1540   HD21  ASN  35          HD21      ASN  35  71.606 -38.743 109.701
 1541   HD22  ASN  35          HD22      ASN  35  72.419 -40.233 109.707
 1542    H    ASP  36           HN       ASP  36  75.019 -34.729 108.164
 1543    HA   ASP  36           HA       ASP  36  77.635 -35.714 108.570
 1544    HB2  ASP  36           HB2      ASP  36  77.006 -32.900 107.724
 1545    HB3  ASP  36           HB1      ASP  36  78.330 -33.944 107.203
 1546    H    ASN  37           HN       ASN  37  75.742 -33.375 110.431
 1547    HA   ASN  37           HA       ASN  37  78.155 -32.383 111.744
 1548    HB2  ASN  37           HB2      ASN  37  76.775 -30.737 112.708
 1549    HB3  ASN  37           HB1      ASN  37  76.240 -30.924 111.044
 1550   HD21  ASN  37          HD21      ASN  37  74.303 -29.812 112.510
 1551   HD22  ASN  37          HD22      ASN  37  73.124 -30.933 112.990
 1552    H    GLY  38           HN       GLY  38  75.599 -34.734 112.454
 1553    HA2  GLY  38           HA2      GLY  38  76.422 -36.399 114.142
 1554    HA3  GLY  38           HA1      GLY  38  76.742 -35.032 115.189
 1555    H    VAL  39           HN       VAL  39  73.884 -34.155 113.774
 1556    HA   VAL  39           HA       VAL  39  72.278 -35.607 115.826
 1557    HB   VAL  39           HB       VAL  39  72.382 -33.417 116.658
 1558   HG11  VAL  39          HG11      VAL  39  71.938 -32.417 113.837
 1559   HG12  VAL  39          HG12      VAL  39  73.469 -32.407 114.701
 1560   HG13  VAL  39          HG13      VAL  39  72.138 -31.409 115.270
 1561   HG21  VAL  39          HG21      VAL  39  70.017 -34.289 116.284
 1562   HG22  VAL  39          HG22      VAL  39  69.953 -33.253 114.864
 1563   HG23  VAL  39          HG23      VAL  39  70.157 -32.542 116.459
 1564    H    ASP  40           HN       ASP  40  71.089 -37.048 114.819
 1565    HA   ASP  40           HA       ASP  40  69.450 -36.203 112.492
 1566    HB2  ASP  40           HB2      ASP  40  71.417 -37.846 112.019
 1567    HB3  ASP  40           HB1      ASP  40  70.427 -39.036 112.859
 1568    H    GLY  41           HN       GLY  41  67.344 -36.074 113.327
 1569    HA2  GLY  41           HA2      GLY  41  66.395 -38.420 114.869
 1570    HA3  GLY  41           HA1      GLY  41  66.196 -36.819 115.554
 1571    H    GLU  42           HN       GLU  42  63.846 -37.128 115.570
 1572    HA   GLU  42           HA       GLU  42  62.482 -37.639 113.134
 1573    HB2  GLU  42           HB2      GLU  42  61.135 -36.369 115.497
 1574    HB3  GLU  42           HB1      GLU  42  60.531 -37.598 114.391
 1575    HG2  GLU  42           HG2      GLU  42  62.606 -37.973 116.565
 1576    HG3  GLU  42           HG1      GLU  42  60.984 -38.657 116.517
 1577    H    TRP  43           HN       TRP  43  61.573 -36.222 111.766
 1578    HA   TRP  43           HA       TRP  43  62.352 -33.397 112.065
 1579    HB2  TRP  43           HB2      TRP  43  61.724 -35.112 109.669
 1580    HB3  TRP  43           HB1      TRP  43  61.959 -33.365 109.580
 1581    HD1  TRP  43           HD1      TRP  43  63.887 -36.616 110.325
 1582    HE1  TRP  43           HE1      TRP  43  66.409 -36.091 110.250
 1583    HE3  TRP  43           HE3      TRP  43  63.697 -31.565 109.789
 1584    HZ2  TRP  43           HZ2      TRP  43  68.109 -33.826 109.957
 1585    HZ3  TRP  43           HZ3      TRP  43  65.772 -30.249 109.601
 1586    HH2  TRP  43           HH2      TRP  43  67.983 -31.363 109.685
 1587    H    THR  44           HN       THR  44  61.057 -31.831 111.223
 1588    HA   THR  44           HA       THR  44  58.240 -32.235 110.737
 1589    HB   THR  44           HB       THR  44  58.139 -32.188 113.158
 1590    HG1  THR  44           HG1      THR  44  56.917 -30.565 111.683
 1591   HG21  THR  44          HG21      THR  44  59.127 -30.210 114.383
 1592   HG22  THR  44          HG22      THR  44  59.967 -29.786 112.894
 1593   HG23  THR  44          HG23      THR  44  60.316 -31.315 113.698
 1594    H    TYR  45           HN       TYR  45  57.387 -30.371 109.631
 1595    HA   TYR  45           HA       TYR  45  59.269 -28.115 109.308
 1596    HB2  TYR  45           HB2      TYR  45  59.680 -29.438 107.355
 1597    HB3  TYR  45           HB1      TYR  45  57.960 -29.695 107.094
 1598    HD1  TYR  45           HD1      TYR  45  60.053 -26.625 107.795
 1599    HD2  TYR  45           HD2      TYR  45  57.208 -28.539 105.200
 1600    HE1  TYR  45           HE1      TYR  45  59.949 -24.587 106.408
 1601    HE2  TYR  45           HE2      TYR  45  57.105 -26.485 103.815
 1602    HH   TYR  45           HH       TYR  45  58.524 -23.504 104.843
 1603    H    ASP  46           HN       ASP  46  58.322 -26.267 109.711
 1604    HA   ASP  46           HA       ASP  46  55.390 -26.090 109.447
 1605    HB2  ASP  46           HB2      ASP  46  56.257 -25.318 111.618
 1606    HB3  ASP  46           HB1      ASP  46  57.350 -24.191 110.792
 1607    H    ASP  47           HN       ASP  47  54.756 -25.411 107.410
 1608    HA   ASP  47           HA       ASP  47  56.576 -23.883 105.745
 1609    HB2  ASP  47           HB2      ASP  47  55.002 -25.778 104.985
 1610    HB3  ASP  47           HB1      ASP  47  53.720 -24.573 105.083
 1611    H    ALA  48           HN       ALA  48  54.221 -23.206 108.046
 1612    HA   ALA  48           HA       ALA  48  53.223 -20.766 106.862
 1613    HB1  ALA  48           HB1      ALA  48  52.047 -22.304 108.558
 1614    HB2  ALA  48           HB2      ALA  48  51.919 -20.562 108.803
 1615    HB3  ALA  48           HB3      ALA  48  53.050 -21.509 109.771
 1616    H    THR  49           HN       THR  49  55.983 -21.664 108.839
 1617    HA   THR  49           HA       THR  49  56.724 -18.809 109.120
 1618    HB   THR  49           HB       THR  49  58.000 -19.719 111.247
 1619    HG1  THR  49           HG1      THR  49  55.809 -21.486 111.251
 1620   HG21  THR  49          HG21      THR  49  54.997 -19.362 111.236
 1621   HG22  THR  49          HG22      THR  49  56.192 -18.070 111.339
 1622   HG23  THR  49          HG23      THR  49  56.038 -19.236 112.653
 1623    H    LYS  50           HN       LYS  50  57.356 -21.393 107.343
 1624    HA   LYS  50           HA       LYS  50  59.238 -22.368 106.423
 1625    HB2  LYS  50           HB2      LYS  50  60.555 -19.682 106.807
 1626    HB3  LYS  50           HB1      LYS  50  60.726 -20.810 105.464
 1627    HG2  LYS  50           HG2      LYS  50  58.181 -19.286 106.121
 1628    HG3  LYS  50           HG1      LYS  50  59.340 -18.824 104.879
 1629    HD2  LYS  50           HD2      LYS  50  58.983 -21.033 103.769
 1630    HD3  LYS  50           HD1      LYS  50  57.742 -21.401 104.967
 1631    HE2  LYS  50           HE2      LYS  50  56.311 -19.695 104.191
 1632    HE3  LYS  50           HE1      LYS  50  57.607 -18.887 103.311
 1633    HZ1  LYS  50           HZ1      LYS  50  57.668 -21.247 102.138
 1634    HZ2  LYS  50           HZ2      LYS  50  56.673 -19.981 101.595
 1635    HZ3  LYS  50           HZ3      LYS  50  56.029 -21.214 102.569
 1636    H    THR  51           HN       THR  51  59.165 -23.209 108.961
 1637    HA   THR  51           HA       THR  51  62.000 -23.078 109.766
 1638    HB   THR  51           HB       THR  51  59.673 -22.488 111.613
 1639    HG1  THR  51           HG1      THR  51  60.503 -20.555 111.617
 1640   HG21  THR  51          HG21      THR  51  61.522 -22.420 113.394
 1641   HG22  THR  51          HG22      THR  51  62.516 -23.320 112.251
 1642   HG23  THR  51          HG23      THR  51  61.020 -24.023 112.860
 1643    H    PHE  52           HN       PHE  52  62.831 -25.141 110.072
 1644    HA   PHE  52           HA       PHE  52  60.896 -27.274 110.784
 1645    HB2  PHE  52           HB2      PHE  52  63.356 -28.402 109.769
 1646    HB3  PHE  52           HB1      PHE  52  61.727 -28.604 109.169
 1647    HD1  PHE  52           HD2      PHE  52  64.199 -25.751 109.181
 1648    HD2  PHE  52           HD1      PHE  52  61.618 -28.288 106.881
 1649    HE1  PHE  52           HE2      PHE  52  64.881 -24.579 107.112
 1650    HE2  PHE  52           HE1      PHE  52  62.308 -27.130 104.818
 1651    HZ   PHE  52           HZ       PHE  52  63.936 -25.281 104.925
 1652    H    THR  53           HN       THR  53  61.827 -29.044 112.112
 1653    HA   THR  53           HA       THR  53  64.159 -28.259 113.730
 1654    HB   THR  53           HB       THR  53  62.966 -28.773 115.825
 1655    HG1  THR  53           HG1      THR  53  60.471 -28.564 115.094
 1656   HG21  THR  53          HG21      THR  53  62.769 -26.409 114.402
 1657   HG22  THR  53          HG22      THR  53  62.232 -26.618 116.061
 1658   HG23  THR  53          HG23      THR  53  61.085 -26.780 114.734
 1659    H    VAL  54           HN       VAL  54  65.470 -30.094 114.262
 1660    HA   VAL  54           HA       VAL  54  64.264 -32.760 113.696
 1661    HB   VAL  54           HB       VAL  54  66.140 -32.121 112.187
 1662   HG11  VAL  54          HG11      VAL  54  68.351 -31.793 113.028
 1663   HG12  VAL  54          HG12      VAL  54  67.882 -32.299 114.647
 1664   HG13  VAL  54          HG13      VAL  54  67.304 -30.765 114.006
 1665   HG21  VAL  54          HG21      VAL  54  67.342 -34.232 112.404
 1666   HG22  VAL  54          HG22      VAL  54  65.654 -34.514 112.831
 1667   HG23  VAL  54          HG23      VAL  54  66.871 -34.371 114.099
 1668    H    THR  55           HN       THR  55  63.974 -34.044 115.441
 1669    HA   THR  55           HA       THR  55  65.589 -33.546 117.880
 1670    HB   THR  55           HB       THR  55  63.086 -32.794 117.845
 1671    HG1  THR  55           HG1      THR  55  62.989 -33.810 120.082
 1672   HG21  THR  55          HG21      THR  55  62.355 -35.090 116.972
 1673   HG22  THR  55          HG22      THR  55  61.455 -34.457 118.346
 1674   HG23  THR  55          HG23      THR  55  62.683 -35.699 118.592
 1675    H    GLU  56           HN       GLU  56  66.826 -35.253 118.475
 1676    HA   GLU  56           HA       GLU  56  65.975 -37.973 117.651
 1677    HB2  GLU  56           HB2      GLU  56  68.525 -38.383 118.301
 1678    HB3  GLU  56           HB1      GLU  56  68.087 -37.725 116.725
 1679    HG2  GLU  56           HG2      GLU  56  68.451 -35.451 117.529
 1680    HG3  GLU  56           HG1      GLU  56  68.815 -36.058 119.146
 1681    H1   MET   1           HT1      MET   1  54.087  16.545  96.270
 1682    H2   MET   1           HT2      MET   1  52.496  16.404  95.689
 1683    H3   MET   1           HT3      MET   1  53.374  15.013  96.116
 1684    HA   MET   1           HA       MET   1  52.700  17.154  98.038
 1685    HB2  MET   1           HB2      MET   1  50.554  16.390  98.103
 1686    HB3  MET   1           HB1      MET   1  50.920  15.357  96.735
 1687    HG2  MET   1           HG2      MET   1  51.830  13.677  98.537
 1688    HG3  MET   1           HG1      MET   1  50.924  14.671  99.675
 1689    HE1  MET   1           HE1      MET   1  49.664  11.961  96.344
 1690    HE2  MET   1           HE2      MET   1  51.135  12.915  96.504
 1691    HE3  MET   1           HE3      MET   1  49.704  13.630  95.776
 1692    H    GLN   2           HN       GLN   2  52.588  15.836 100.299
 1693    HA   GLN   2           HA       GLN   2  54.988  14.079 100.422
 1694    HB2  GLN   2           HB2      GLN   2  54.156  16.308 102.296
 1695    HB3  GLN   2           HB1      GLN   2  55.423  15.138 102.654
 1696    HG2  GLN   2           HG2      GLN   2  56.731  15.885 100.758
 1697    HG3  GLN   2           HG1      GLN   2  55.424  16.938 100.218
 1698   HE21  GLN   2          HE21      GLN   2  55.006  17.541 103.380
 1699   HE22  GLN   2          HE22      GLN   2  56.184  18.730 103.665
 1700    H    TYR   3           HN       TYR   3  54.912  12.356 101.813
 1701    HA   TYR   3           HA       TYR   3  52.371  11.905 103.267
 1702    HB2  TYR   3           HB2      TYR   3  54.237   9.729 102.359
 1703    HB3  TYR   3           HB1      TYR   3  52.570   9.595 102.926
 1704    HD1  TYR   3           HD2      TYR   3  54.712  10.876 100.192
 1705    HD2  TYR   3           HD1      TYR   3  50.735   9.842 101.442
 1706    HE1  TYR   3           HE2      TYR   3  53.922  11.080  97.854
 1707    HE2  TYR   3           HE1      TYR   3  49.948  10.042  99.099
 1708    HH   TYR   3           HH       TYR   3  50.598  10.243  96.961
 1709    H    LYS   4           HN       LYS   4  52.551  10.956 105.322
 1710    HA   LYS   4           HA       LYS   4  55.267  11.181 106.534
 1711    HB2  LYS   4           HB2      LYS   4  53.621  12.973 107.162
 1712    HB3  LYS   4           HB1      LYS   4  52.605  11.720 107.868
 1713    HG2  LYS   4           HG2      LYS   4  54.409  11.111 109.425
 1714    HG3  LYS   4           HG1      LYS   4  55.460  12.332 108.704
 1715    HD2  LYS   4           HD2      LYS   4  54.015  14.126 109.427
 1716    HD3  LYS   4           HD1      LYS   4  52.760  12.991 109.922
 1717    HE2  LYS   4           HE2      LYS   4  53.816  13.586 111.949
 1718    HE3  LYS   4           HE1      LYS   4  54.543  12.033 111.539
 1719    HZ1  LYS   4           HZ1      LYS   4  56.257  13.566 112.141
 1720    HZ2  LYS   4           HZ2      LYS   4  55.689  14.723 111.033
 1721    HZ3  LYS   4           HZ3      LYS   4  56.370  13.271 110.474
 1722    H    LEU   5           HN       LEU   5  56.046   9.358 107.482
 1723    HA   LEU   5           HA       LEU   5  54.125   7.197 108.143
 1724    HB2  LEU   5           HB2      LEU   5  55.795   6.556 106.460
 1725    HB3  LEU   5           HB1      LEU   5  57.080   7.042 107.533
 1726    HG   LEU   5           HG       LEU   5  56.465   4.497 107.272
 1727   HD11  LEU   5          HD11      LEU   5  58.192   5.245 108.760
 1728   HD12  LEU   5          HD12      LEU   5  57.210   4.035 109.577
 1729   HD13  LEU   5          HD13      LEU   5  57.012   5.735 109.969
 1730   HD21  LEU   5          HD21      LEU   5  54.007   4.954 107.968
 1731   HD22  LEU   5          HD22      LEU   5  54.648   5.015 109.607
 1732   HD23  LEU   5          HD23      LEU   5  54.832   3.560 108.651
 1733    H    ILE   6           HN       ILE   6  53.842   6.610 110.164
 1734    HA   ILE   6           HA       ILE   6  55.460   7.914 112.262
 1735    HB   ILE   6           HB       ILE   6  52.929   6.280 112.581
 1736   HG12  ILE   6          HG12      ILE   6  52.408   8.162 111.133
 1737   HG13  ILE   6          HG11      ILE   6  51.765   8.485 112.740
 1738   HG21  ILE   6          HG21      ILE   6  54.248   6.505 114.598
 1739   HG22  ILE   6          HG22      ILE   6  52.829   7.543 114.732
 1740   HG23  ILE   6          HG23      ILE   6  54.402   8.245 114.351
 1741   HD11  ILE   6          HD11      ILE   6  54.193   9.673 111.407
 1742   HD12  ILE   6          HD12      ILE   6  53.973   9.746 113.153
 1743   HD13  ILE   6          HD13      ILE   6  52.796  10.504 112.087
 1744    H    LEU   7           HN       LEU   7  56.816   6.771 113.450
 1745    HA   LEU   7           HA       LEU   7  57.085   3.911 112.867
 1746    HB2  LEU   7           HB2      LEU   7  58.835   5.971 114.194
 1747    HB3  LEU   7           HB1      LEU   7  59.143   4.257 114.441
 1748    HG   LEU   7           HG       LEU   7  58.934   4.279 111.714
 1749   HD11  LEU   7          HD11      LEU   7  58.612   6.806 111.823
 1750   HD12  LEU   7          HD12      LEU   7  59.908   6.239 110.771
 1751   HD13  LEU   7          HD13      LEU   7  60.289   6.901 112.359
 1752   HD21  LEU   7          HD21      LEU   7  60.801   3.350 112.975
 1753   HD22  LEU   7          HD22      LEU   7  61.377   4.970 113.363
 1754   HD23  LEU   7          HD23      LEU   7  61.415   4.397 111.696
 1755    H    ASN   8           HN       ASN   8  55.977   2.569 114.020
 1756    HA   ASN   8           HA       ASN   8  55.872   2.884 116.948
 1757    HB2  ASN   8           HB2      ASN   8  53.686   3.517 116.049
 1758    HB3  ASN   8           HB1      ASN   8  53.634   2.034 115.095
 1759   HD21  ASN   8          HD21      ASN   8  51.717   1.255 116.251
 1760   HD22  ASN   8          HD22      ASN   8  51.826   0.703 117.852
 1761    H    GLY   9           HN       GLY   9  57.653   1.432 116.969
 1762    HA2  GLY   9           HA2      GLY   9  57.003  -1.345 116.135
 1763    HA3  GLY   9           HA1      GLY   9  58.619  -0.662 116.030
 1764    H    LYS  10           HN       LYS  10  59.284  -2.475 117.329
 1765    HA   LYS  10           HA       LYS  10  58.308  -2.768 119.993
 1766    HB2  LYS  10           HB2      LYS  10  60.986  -3.750 118.977
 1767    HB3  LYS  10           HB1      LYS  10  59.992  -4.437 120.264
 1768    HG2  LYS  10           HG2      LYS  10  58.205  -4.895 118.564
 1769    HG3  LYS  10           HG1      LYS  10  59.311  -4.351 117.309
 1770    HD2  LYS  10           HD2      LYS  10  60.110  -6.535 119.233
 1771    HD3  LYS  10           HD1      LYS  10  59.160  -6.901 117.795
 1772    HE2  LYS  10           HE2      LYS  10  60.925  -5.774 116.408
 1773    HE3  LYS  10           HE1      LYS  10  61.894  -5.588 117.869
 1774    HZ1  LYS  10           HZ1      LYS  10  61.732  -7.808 116.207
 1775    HZ2  LYS  10           HZ2      LYS  10  60.995  -8.247 117.674
 1776    HZ3  LYS  10           HZ3      LYS  10  62.590  -7.662 117.662
 1777    H    THR  11           HN       THR  11  61.311  -1.249 118.658
 1778    HA   THR  11           HA       THR  11  61.380   0.447 121.082
 1779    HB   THR  11           HB       THR  11  63.910   0.305 120.917
 1780    HG1  THR  11           HG1      THR  11  63.515  -2.152 119.660
 1781   HG21  THR  11          HG21      THR  11  63.920  -1.936 122.063
 1782   HG22  THR  11          HG22      THR  11  62.224  -2.105 121.608
 1783   HG23  THR  11          HG23      THR  11  62.723  -0.802 122.687
 1784    H    LEU  12           HN       LEU  12  61.416   0.246 117.681
 1785    HA   LEU  12           HA       LEU  12  62.802   2.771 117.309
 1786    HB2  LEU  12           HB2      LEU  12  62.359   0.480 115.727
 1787    HB3  LEU  12           HB1      LEU  12  61.391   1.726 114.951
 1788    HG   LEU  12           HG       LEU  12  64.354   1.810 115.563
 1789   HD11  LEU  12          HD11      LEU  12  62.812   2.012 112.958
 1790   HD12  LEU  12          HD12      LEU  12  63.662   0.573 113.531
 1791   HD13  LEU  12          HD13      LEU  12  64.565   2.032 113.135
 1792   HD21  LEU  12          HD21      LEU  12  63.761   4.100 114.092
 1793   HD22  LEU  12          HD22      LEU  12  64.075   4.048 115.819
 1794   HD23  LEU  12          HD23      LEU  12  62.420   4.017 115.229
 1795    H    LYS  13           HN       LYS  13  61.730   4.611 117.767
 1796    HA   LYS  13           HA       LYS  13  59.007   4.928 116.679
 1797    HB2  LYS  13           HB2      LYS  13  59.837   5.491 119.536
 1798    HB3  LYS  13           HB1      LYS  13  58.425   6.234 118.797
 1799    HG2  LYS  13           HG2      LYS  13  57.295   4.396 119.563
 1800    HG3  LYS  13           HG1      LYS  13  57.991   3.575 118.174
 1801    HD2  LYS  13           HD2      LYS  13  60.044   3.224 119.878
 1802    HD3  LYS  13           HD1      LYS  13  58.759   3.402 121.072
 1803    HE2  LYS  13           HE2      LYS  13  58.834   1.077 120.625
 1804    HE3  LYS  13           HE1      LYS  13  57.475   1.659 119.660
 1805    HZ1  LYS  13           HZ1      LYS  13  60.084   1.745 118.389
 1806    HZ2  LYS  13           HZ2      LYS  13  58.575   1.326 117.739
 1807    HZ3  LYS  13           HZ3      LYS  13  59.451   0.198 118.658
 1808    H    GLY  14           HN       GLY  14  58.611   6.819 115.782
 1809    HA2  GLY  14           HA2      GLY  14  59.628   9.321 116.372
 1810    HA3  GLY  14           HA1      GLY  14  60.747   8.610 115.207
 1811    H    GLU  15           HN       GLU  15  60.086  10.207 113.580
 1812    HA   GLU  15           HA       GLU  15  57.500   9.524 112.300
 1813    HB2  GLU  15           HB2      GLU  15  58.728  12.280 112.163
 1814    HB3  GLU  15           HB1      GLU  15  57.120  11.767 111.657
 1815    HG2  GLU  15           HG2      GLU  15  58.045  11.604 114.515
 1816    HG3  GLU  15           HG1      GLU  15  57.275  13.035 113.847
 1817    H    THR  16           HN       THR  16  57.517   9.939 109.950
 1818    HA   THR  16           HA       THR  16  60.150  10.264 108.718
 1819    HB   THR  16           HB       THR  16  59.078   8.071 107.306
 1820    HG1  THR  16           HG1      THR  16  58.764   7.856 110.100
 1821   HG21  THR  16          HG21      THR  16  61.012   6.865 108.212
 1822   HG22  THR  16          HG22      THR  16  61.223   8.121 109.432
 1823   HG23  THR  16          HG23      THR  16  61.450   8.503 107.727
 1824    H    THR  17           HN       THR  17  60.043  11.019 106.606
 1825    HA   THR  17           HA       THR  17  57.391  11.229 105.381
 1826    HB   THR  17           HB       THR  17  58.993  13.760 105.594
 1827    HG1  THR  17           HG1      THR  17  58.620  12.870 107.716
 1828   HG21  THR  17          HG21      THR  17  56.933  14.791 105.099
 1829   HG22  THR  17          HG22      THR  17  56.004  13.381 105.589
 1830   HG23  THR  17          HG23      THR  17  56.921  13.357 104.084
 1831    H    THR  18           HN       THR  18  57.401  11.934 103.204
 1832    HA   THR  18           HA       THR  18  59.904  12.155 101.788
 1833    HB   THR  18           HB       THR  18  59.472   9.659 102.091
 1834    HG1  THR  18           HG1      THR  18  60.349  11.038 100.097
 1835   HG21  THR  18          HG21      THR  18  57.689   8.621 100.983
 1836   HG22  THR  18          HG22      THR  18  57.390  10.017  99.950
 1837   HG23  THR  18          HG23      THR  18  56.925  10.064 101.650
 1838    H    GLU  19           HN       GLU  19  59.596  12.869  99.635
 1839    HA   GLU  19           HA       GLU  19  56.968  14.137  99.134
 1840    HB2  GLU  19           HB2      GLU  19  59.016  15.579  99.254
 1841    HB3  GLU  19           HB1      GLU  19  59.686  14.681  97.897
 1842    HG2  GLU  19           HG2      GLU  19  58.734  16.506  96.801
 1843    HG3  GLU  19           HG1      GLU  19  57.421  15.341  96.701
 1844    H    ALA  20           HN       ALA  20  55.703  13.028  97.761
 1845    HA   ALA  20           HA       ALA  20  56.834  11.951  95.282
 1846    HB1  ALA  20           HB1      ALA  20  56.108  10.294  97.548
 1847    HB2  ALA  20           HB2      ALA  20  56.812   9.800  96.014
 1848    HB3  ALA  20           HB3      ALA  20  55.062   9.914  96.182
 1849    H    VAL  21           HN       VAL  21  55.168  11.307  93.752
 1850    HA   VAL  21           HA       VAL  21  52.948  13.161  93.762
 1851    HB   VAL  21           HB       VAL  21  53.861  12.911  91.617
 1852   HG11  VAL  21          HG11      VAL  21  54.363  10.591  90.688
 1853   HG12  VAL  21          HG12      VAL  21  54.109   9.977  92.316
 1854   HG13  VAL  21          HG13      VAL  21  55.405  11.128  92.002
 1855   HG21  VAL  21          HG21      VAL  21  52.173  11.920  90.282
 1856   HG22  VAL  21          HG22      VAL  21  51.331  12.342  91.773
 1857   HG23  VAL  21          HG23      VAL  21  51.827  10.674  91.482
 1858    H    ASP  22           HN       ASP  22  53.538   9.691  93.965
 1859    HA   ASP  22           HA       ASP  22  50.660   9.255  94.570
 1860    HB2  ASP  22           HB2      ASP  22  52.742   7.335  93.529
 1861    HB3  ASP  22           HB1      ASP  22  51.079   6.910  93.928
 1862    H    ALA  23           HN       ALA  23  50.069   7.736  96.126
 1863    HA   ALA  23           HA       ALA  23  51.639   7.843  98.531
 1864    HB1  ALA  23           HB1      ALA  23  49.798   6.600  99.528
 1865    HB2  ALA  23           HB2      ALA  23  49.134   6.255  97.932
 1866    HB3  ALA  23           HB3      ALA  23  49.158   7.911  98.537
 1867    H    ALA  24           HN       ALA  24  50.640   5.279  96.282
 1868    HA   ALA  24           HA       ALA  24  51.847   3.117  97.607
 1869    HB1  ALA  24           HB1      ALA  24  50.255   2.853  95.718
 1870    HB2  ALA  24           HB2      ALA  24  51.742   1.944  95.455
 1871    HB3  ALA  24           HB3      ALA  24  51.484   3.473  94.614
 1872    H    THR  25           HN       THR  25  53.321   5.509  95.259
 1873    HA   THR  25           HA       THR  25  55.797   4.107  95.030
 1874    HB   THR  25           HB       THR  25  54.740   6.077  93.566
 1875    HG1  THR  25           HG1      THR  25  57.518   6.127  93.898
 1876   HG21  THR  25          HG21      THR  25  55.168   7.675  95.628
 1877   HG22  THR  25          HG22      THR  25  55.505   8.249  93.998
 1878   HG23  THR  25          HG23      THR  25  56.823   7.687  95.026
 1879    H    ALA  26           HN       ALA  26  54.503   6.459  97.298
 1880    HA   ALA  26           HA       ALA  26  56.968   7.173  98.532
 1881    HB1  ALA  26           HB1      ALA  26  54.997   8.605  98.714
 1882    HB2  ALA  26           HB2      ALA  26  55.517   8.104 100.321
 1883    HB3  ALA  26           HB3      ALA  26  54.123   7.334  99.568
 1884    H    GLU  27           HN       GLU  27  54.601   4.694  99.071
 1885    HA   GLU  27           HA       GLU  27  55.546   3.791 101.590
 1886    HB2  GLU  27           HB2      GLU  27  53.710   2.456 101.539
 1887    HB3  GLU  27           HB1      GLU  27  53.294   3.340 100.078
 1888    HG2  GLU  27           HG2      GLU  27  54.530   1.607  98.748
 1889    HG3  GLU  27           HG1      GLU  27  54.765   0.696 100.223
 1890    H    LYS  28           HN       LYS  28  56.469   3.035  98.306
 1891    HA   LYS  28           HA       LYS  28  57.693   0.557  98.656
 1892    HB2  LYS  28           HB2      LYS  28  58.598   2.933  97.004
 1893    HB3  LYS  28           HB1      LYS  28  59.259   1.308  96.846
 1894    HG2  LYS  28           HG2      LYS  28  56.850   0.540  96.475
 1895    HG3  LYS  28           HG1      LYS  28  56.447   2.239  96.264
 1896    HD2  LYS  28           HD2      LYS  28  58.312   0.532  94.595
 1897    HD3  LYS  28           HD1      LYS  28  56.861   1.380  94.068
 1898    HE2  LYS  28           HE2      LYS  28  58.058   3.561  94.712
 1899    HE3  LYS  28           HE1      LYS  28  59.524   2.603  94.877
 1900    HZ1  LYS  28           HZ1      LYS  28  58.452   3.702  92.461
 1901    HZ2  LYS  28           HZ2      LYS  28  58.358   2.014  92.313
 1902    HZ3  LYS  28           HZ3      LYS  28  59.855   2.755  92.619
 1903    H    VAL  29           HN       VAL  29  58.950   3.817  99.295
 1904    HA   VAL  29           HA       VAL  29  61.514   2.916 100.177
 1905    HB   VAL  29           HB       VAL  29  60.150   5.515 100.896
 1906   HG11  VAL  29          HG11      VAL  29  62.271   4.923 102.076
 1907   HG12  VAL  29          HG12      VAL  29  62.441   6.344 101.044
 1908   HG13  VAL  29          HG13      VAL  29  63.070   4.785 100.508
 1909   HG21  VAL  29          HG21      VAL  29  61.320   6.378  98.833
 1910   HG22  VAL  29          HG22      VAL  29  59.995   5.265  98.490
 1911   HG23  VAL  29          HG23      VAL  29  61.665   4.705  98.396
 1912    H    PHE  30           HN       PHE  30  58.645   4.108 101.922
 1913    HA   PHE  30           HA       PHE  30  59.609   3.748 104.517
 1914    HB2  PHE  30           HB2      PHE  30  56.767   3.673 103.548
 1915    HB3  PHE  30           HB1      PHE  30  57.254   3.807 105.224
 1916    HD1  PHE  30           HD2      PHE  30  59.408   5.782 105.283
 1917    HD2  PHE  30           HD1      PHE  30  55.869   5.701 102.832
 1918    HE1  PHE  30           HE2      PHE  30  59.514   8.233 105.031
 1919    HE2  PHE  30           HE1      PHE  30  55.977   8.155 102.611
 1920    HZ   PHE  30           HZ       PHE  30  57.796   9.420 103.709
 1921    H    LYS  31           HN       LYS  31  57.668   1.471 102.524
 1922    HA   LYS  31           HA       LYS  31  57.434  -0.360 104.703
 1923    HB2  LYS  31           HB2      LYS  31  56.682  -0.301 101.851
 1924    HB3  LYS  31           HB1      LYS  31  56.939  -1.902 102.501
 1925    HG2  LYS  31           HG2      LYS  31  55.238  -1.654 104.103
 1926    HG3  LYS  31           HG1      LYS  31  55.256   0.090 103.999
 1927    HD2  LYS  31           HD2      LYS  31  53.864   0.157 102.201
 1928    HD3  LYS  31           HD1      LYS  31  54.611  -1.240 101.441
 1929    HE2  LYS  31           HE2      LYS  31  53.161  -2.177 103.744
 1930    HE3  LYS  31           HE1      LYS  31  52.107  -1.126 102.804
 1931    HZ1  LYS  31           HZ1      LYS  31  52.534  -3.663 102.202
 1932    HZ2  LYS  31           HZ2      LYS  31  53.769  -2.949 101.280
 1933    HZ3  LYS  31           HZ3      LYS  31  52.152  -2.484 101.046
 1934    H    GLN  32           HN       GLN  32  59.692  -0.062 102.009
 1935    HA   GLN  32           HA       GLN  32  61.075  -2.491 102.656
 1936    HB2  GLN  32           HB2      GLN  32  61.018  -1.250 100.406
 1937    HB3  GLN  32           HB1      GLN  32  62.204  -0.159 101.121
 1938    HG2  GLN  32           HG2      GLN  32  63.526  -1.791 100.039
 1939    HG3  GLN  32           HG1      GLN  32  63.528  -2.302 101.724
 1940   HE21  GLN  32          HE21      GLN  32  62.968  -3.421  98.511
 1941   HE22  GLN  32          HE22      GLN  32  62.103  -4.830  98.895
 1942    H    TYR  33           HN       TYR  33  61.297   0.887 103.496
 1943    HA   TYR  33           HA       TYR  33  63.842   0.867 104.718
 1944    HB2  TYR  33           HB2      TYR  33  62.922   2.950 104.066
 1945    HB3  TYR  33           HB1      TYR  33  61.411   2.607 104.900
 1946    HD1  TYR  33           HD2      TYR  33  64.948   3.514 105.335
 1947    HD2  TYR  33           HD1      TYR  33  61.170   2.877 107.279
 1948    HE1  TYR  33           HE2      TYR  33  65.829   4.574 107.397
 1949    HE2  TYR  33           HE1      TYR  33  62.052   3.937 109.339
 1950    HH   TYR  33           HH       TYR  33  64.450   5.866 109.532
 1951    H    ALA  34           HN       ALA  34  60.558   0.317 105.922
 1952    HA   ALA  34           HA       ALA  34  61.111   0.338 108.668
 1953    HB1  ALA  34           HB1      ALA  34  58.919  -0.318 108.897
 1954    HB2  ALA  34           HB2      ALA  34  59.079  -1.624 107.723
 1955    HB3  ALA  34           HB3      ALA  34  58.854   0.034 107.173
 1956    H    ASN  35           HN       ASN  35  61.491  -2.296 106.239
 1957    HA   ASN  35           HA       ASN  35  62.079  -4.302 108.177
 1958    HB2  ASN  35           HB2      ASN  35  61.417  -4.361 105.564
 1959    HB3  ASN  35           HB1      ASN  35  63.160  -4.507 105.397
 1960   HD21  ASN  35          HD21      ASN  35  60.368  -6.069 107.178
 1961   HD22  ASN  35          HD22      ASN  35  61.100  -7.598 107.242
 1962    H    ASP  36           HN       ASP  36  63.999  -2.134 106.127
 1963    HA   ASP  36           HA       ASP  36  66.545  -3.132 106.822
 1964    HB2  ASP  36           HB2      ASP  36  66.038  -0.293 105.978
 1965    HB3  ASP  36           HB1      ASP  36  67.394  -1.347 105.574
 1966    H    ASN  37           HN       ASN  37  64.438  -0.860 108.510
 1967    HA   ASN  37           HA       ASN  37  66.680   0.096 110.130
 1968    HB2  ASN  37           HB2      ASN  37  65.205   1.739 110.941
 1969    HB3  ASN  37           HB1      ASN  37  64.878   1.587 109.222
 1970   HD21  ASN  37          HD21      ASN  37  62.786   2.695 110.470
 1971   HD22  ASN  37          HD22      ASN  37  61.546   1.579 110.776
 1972    H    GLY  38           HN       GLY  38  64.036  -2.243 110.450
 1973    HA2  GLY  38           HA2      GLY  38  64.616  -3.959 112.181
 1974    HA3  GLY  38           HA1      GLY  38  64.830  -2.627 113.297
 1975    H    VAL  39           HN       VAL  39  62.170  -1.671 111.570
 1976    HA   VAL  39           HA       VAL  39  60.314  -3.142 113.385
 1977    HB   VAL  39           HB       VAL  39  60.348  -0.974 114.274
 1978   HG11  VAL  39          HG11      VAL  39  60.248   0.095 111.445
 1979   HG12  VAL  39          HG12      VAL  39  61.670   0.061 112.480
 1980   HG13  VAL  39          HG13      VAL  39  60.293   1.066 112.915
 1981   HG21  VAL  39          HG21      VAL  39  58.031  -1.803 113.604
 1982   HG22  VAL  39          HG22      VAL  39  58.147  -0.734 112.212
 1983   HG23  VAL  39          HG23      VAL  39  58.171  -0.062 113.838
 1984    H    ASP  40           HN       ASP  40  59.235  -4.543 112.216
 1985    HA   ASP  40           HA       ASP  40  57.891  -3.628 109.733
 1986    HB2  ASP  40           HB2      ASP  40  59.880  -5.291 109.464
 1987    HB3  ASP  40           HB1      ASP  40  58.780  -6.483 110.147
 1988    H    GLY  41           HN       GLY  41  55.700  -3.487 110.315
 1989    HA2  GLY  41           HA2      GLY  41  54.549  -5.852 111.682
 1990    HA3  GLY  41           HA1      GLY  41  54.290  -4.262 112.378
 1991    H    GLU  42           HN       GLU  42  51.952  -4.516 112.114
 1992    HA   GLU  42           HA       GLU  42  50.869  -4.970 109.529
 1993    HB2  GLU  42           HB2      GLU  42  49.288  -3.700 111.742
 1994    HB3  GLU  42           HB1      GLU  42  48.786  -4.896 110.551
 1995    HG2  GLU  42           HG2      GLU  42  50.590  -5.358 112.940
 1996    HG3  GLU  42           HG1      GLU  42  48.969  -6.001 112.694
 1997    H    TRP  43           HN       TRP  43  50.039  -3.503 108.128
 1998    HA   TRP  43           HA       TRP  43  50.892  -0.707 108.533
 1999    HB2  TRP  43           HB2      TRP  43  50.525  -2.400 106.066
 2000    HB3  TRP  43           HB1      TRP  43  50.813  -0.659 106.018
 2001    HD1  TRP  43           HD1      TRP  43  52.553  -3.949 107.070
 2002    HE1  TRP  43           HE1      TRP  43  55.070  -3.472 107.320
 2003    HE3  TRP  43           HE3      TRP  43  52.540   1.071 106.336
 2004    HZ2  TRP  43           HZ2      TRP  43  56.852  -1.242 107.167
 2005    HZ3  TRP  43           HZ3      TRP  43  54.641   2.345 106.372
 2006    HH2  TRP  43           HH2      TRP  43  56.802   1.208 106.786
 2007    H    THR  44           HN       THR  44  49.757   0.897 107.575
 2008    HA   THR  44           HA       THR  44  47.010   0.587 106.739
 2009    HB   THR  44           HB       THR  44  46.632   0.595 109.136
 2010    HG1  THR  44           HG1      THR  44  45.629   2.272 107.549
 2011   HG21  THR  44          HG21      THR  44  47.512   2.509 110.512
 2012   HG22  THR  44          HG22      THR  44  48.501   2.983 109.134
 2013   HG23  THR  44          HG23      THR  44  48.765   1.424 109.914
 2014    H    TYR  45           HN       TYR  45  46.344   2.488 105.577
 2015    HA   TYR  45           HA       TYR  45  48.293   4.710 105.535
 2016    HB2  TYR  45           HB2      TYR  45  48.922   3.432 103.612
 2017    HB3  TYR  45           HB1      TYR  45  47.243   3.199 103.141
 2018    HD1  TYR  45           HD1      TYR  45  49.259   6.234 104.159
 2019    HD2  TYR  45           HD2      TYR  45  46.734   4.405 101.197
 2020    HE1  TYR  45           HE1      TYR  45  49.341   8.299 102.814
 2021    HE2  TYR  45           HE2      TYR  45  46.816   6.487  99.855
 2022    HH   TYR  45           HH       TYR  45  48.157   9.430 101.108
 2023    H    ASP  46           HN       ASP  46  47.334   6.566 105.848
 2024    HA   ASP  46           HA       ASP  46  44.458   6.798 105.233
 2025    HB2  ASP  46           HB2      ASP  46  45.057   7.469 107.526
 2026    HB3  ASP  46           HB1      ASP  46  46.253   8.612 106.888
 2027    H    ASP  47           HN       ASP  47  44.103   7.562 103.154
 2028    HA   ASP  47           HA       ASP  47  46.143   9.154 101.821
 2029    HB2  ASP  47           HB2      ASP  47  44.697   7.288 100.761
 2030    HB3  ASP  47           HB1      ASP  47  43.418   8.499 100.710
 2031    H    ALA  48           HN       ALA  48  43.536   9.728 103.833
 2032    HA   ALA  48           HA       ALA  48  42.629  12.200 102.644
 2033    HB1  ALA  48           HB1      ALA  48  41.308  10.586 104.169
 2034    HB2  ALA  48           HB2      ALA  48  41.132  12.318 104.453
 2035    HB3  ALA  48           HB3      ALA  48  42.176  11.354 105.498
 2036    H    THR  49           HN       THR  49  45.159  11.225 104.881
 2037    HA   THR  49           HA       THR  49  45.898  14.061 105.308
 2038    HB   THR  49           HB       THR  49  46.917  13.088 107.543
 2039    HG1  THR  49           HG1      THR  49  44.733  11.333 107.181
 2040   HG21  THR  49          HG21      THR  49  43.938  13.491 107.209
 2041   HG22  THR  49          HG22      THR  49  45.132  14.764 107.470
 2042   HG23  THR  49          HG23      THR  49  44.818  13.575 108.734
 2043    H    LYS  50           HN       LYS  50  46.681  11.510 103.553
 2044    HA   LYS  50           HA       LYS  50  48.632  10.513 102.822
 2045    HB2  LYS  50           HB2      LYS  50  49.961  13.158 103.391
 2046    HB3  LYS  50           HB1      LYS  50  50.233  12.052 102.046
 2047    HG2  LYS  50           HG2      LYS  50  47.673  13.629 102.486
 2048    HG3  LYS  50           HG1      LYS  50  48.961  14.092 101.379
 2049    HD2  LYS  50           HD2      LYS  50  48.669  11.931 100.172
 2050    HD3  LYS  50           HD1      LYS  50  47.318  11.547 101.237
 2051    HE2  LYS  50           HE2      LYS  50  45.979  13.280 100.376
 2052    HE3  LYS  50           HE1      LYS  50  47.358  14.122  99.669
 2053    HZ1  LYS  50           HZ1      LYS  50  47.534  11.797  98.417
 2054    HZ2  LYS  50           HZ2      LYS  50  46.625  13.102  97.817
 2055    HZ3  LYS  50           HZ3      LYS  50  45.857  11.845  98.663
 2056    H    THR  51           HN       THR  51  48.273   9.634 105.326
 2057    HA   THR  51           HA       THR  51  51.008   9.697 106.437
 2058    HB   THR  51           HB       THR  51  48.494  10.292 108.019
 2059    HG1  THR  51           HG1      THR  51  49.352  12.206 108.164
 2060   HG21  THR  51          HG21      THR  51  50.117  10.282 110.008
 2061   HG22  THR  51          HG22      THR  51  51.228   9.390 108.970
 2062   HG23  THR  51          HG23      THR  51  49.659   8.699 109.378
 2063    H    PHE  52           HN       PHE  52  51.774   7.616 106.802
 2064    HA   PHE  52           HA       PHE  52  49.741   5.497 107.229
 2065    HB2  PHE  52           HB2      PHE  52  52.287   4.353 106.485
 2066    HB3  PHE  52           HB1      PHE  52  50.739   4.196 105.687
 2067    HD1  PHE  52           HD2      PHE  52  53.237   6.996 106.082
 2068    HD2  PHE  52           HD1      PHE  52  50.907   4.586 103.411
 2069    HE1  PHE  52           HE2      PHE  52  54.180   8.220 104.152
 2070    HE2  PHE  52           HE1      PHE  52  51.855   5.796 101.483
 2071    HZ   PHE  52           HZ       PHE  52  53.491   7.610 101.846
 2072    H    THR  53           HN       THR  53  50.482   3.688 108.619
 2073    HA   THR  53           HA       THR  53  52.615   4.402 110.521
 2074    HB   THR  53           HB       THR  53  51.163   3.850 112.442
 2075    HG1  THR  53           HG1      THR  53  48.783   4.133 111.407
 2076   HG21  THR  53          HG21      THR  53  51.178   6.253 111.060
 2077   HG22  THR  53          HG22      THR  53  50.463   6.017 112.645
 2078   HG23  THR  53          HG23      THR  53  49.463   5.910 111.200
 2079    H    VAL  54           HN       VAL  54  53.831   2.534 111.164
 2080    HA   VAL  54           HA       VAL  54  52.657  -0.096 110.401
 2081    HB   VAL  54           HB       VAL  54  54.704   0.495 109.131
 2082   HG11  VAL  54          HG11      VAL  54  56.806   0.802 110.223
 2083   HG12  VAL  54          HG12      VAL  54  56.147   0.303 111.777
 2084   HG13  VAL  54          HG13      VAL  54  55.667   1.844 111.075
 2085   HG21  VAL  54          HG21      VAL  54  55.841  -1.632 109.507
 2086   HG22  VAL  54          HG22      VAL  54  54.109  -1.883 109.721
 2087   HG23  VAL  54          HG23      VAL  54  55.162  -1.752 111.131
 2088    H    THR  55           HN       THR  55  52.141  -1.418 112.067
 2089    HA   THR  55           HA       THR  55  53.468  -1.008 114.689
 2090    HB   THR  55           HB       THR  55  50.996  -0.210 114.378
 2091    HG1  THR  55           HG1      THR  55  50.641  -1.304 116.571
 2092   HG21  THR  55          HG21      THR  55  50.334  -2.472 113.382
 2093   HG22  THR  55          HG22      THR  55  49.297  -1.859 114.667
 2094   HG23  THR  55          HG23      THR  55  50.478  -3.122 115.014
 2095    H    GLU  56           HN       GLU  56  54.595  -2.754 115.385
 2096    HA   GLU  56           HA       GLU  56  53.808  -5.436 114.389
 2097    HB2  GLU  56           HB2      GLU  56  56.252  -5.908 115.344
 2098    HB3  GLU  56           HB1      GLU  56  56.022  -5.214 113.740
 2099    HG2  GLU  56           HG2      GLU  56  56.316  -2.962 114.634
 2100    HG3  GLU  56           HG1      GLU  56  56.478  -3.609 116.267
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  52.197  -2.078  99.759
    2    H2   MET   1           HT2      MET   1  53.510  -1.075 100.140
    3    H3   MET   1           HT3      MET   1  53.724  -2.755 100.052
    4    HA   MET   1           HA       MET   1  52.900  -1.082  97.767
    5    HB2  MET   1           HB2      MET   1  55.061  -0.441  97.512
    6    HB3  MET   1           HB1      MET   1  55.420  -1.157  99.065
    7    HG2  MET   1           HG2      MET   1  55.672  -3.400  97.733
    8    HG3  MET   1           HG1      MET   1  55.769  -2.354  96.315
    9    HE1  MET   1           HE1      MET   1  57.698  -1.569 100.093
   10    HE2  MET   1           HE2      MET   1  58.371  -3.154  99.778
   11    HE3  MET   1           HE3      MET   1  56.628  -2.939  99.785
   12    H    GLN   2           HN       GLN   2  53.632  -2.400  95.748
   13    HA   GLN   2           HA       GLN   2  52.881  -5.242  96.157
   14    HB2  GLN   2           HB2      GLN   2  51.955  -3.317  94.014
   15    HB3  GLN   2           HB1      GLN   2  51.701  -5.058  93.949
   16    HG2  GLN   2           HG2      GLN   2  50.379  -4.998  95.982
   17    HG3  GLN   2           HG1      GLN   2  50.746  -3.289  96.217
   18   HE21  GLN   2          HE21      GLN   2  50.413  -3.195  92.953
   19   HE22  GLN   2          HE22      GLN   2  48.732  -3.019  92.800
   20    H    TYR   3           HN       TYR   3  54.023  -6.734  95.048
   21    HA   TYR   3           HA       TYR   3  56.048  -5.759  93.121
   22    HB2  TYR   3           HB2      TYR   3  56.398  -8.408  94.475
   23    HB3  TYR   3           HB1      TYR   3  57.609  -7.277  93.863
   24    HD1  TYR   3           HD1      TYR   3  54.900  -7.516  96.429
   25    HD2  TYR   3           HD2      TYR   3  58.763  -5.939  95.407
   26    HE1  TYR   3           HE1      TYR   3  55.123  -6.580  98.710
   27    HE2  TYR   3           HE2      TYR   3  58.986  -5.007  97.693
   28    HH   TYR   3           HH       TYR   3  56.754  -5.815 100.231
   29    H    LYS   4           HN       LYS   4  56.465  -7.176  91.351
   30    HA   LYS   4           HA       LYS   4  54.116  -8.882  90.681
   31    HB2  LYS   4           HB2      LYS   4  54.066  -6.897  89.345
   32    HB3  LYS   4           HB1      LYS   4  55.784  -7.010  88.993
   33    HG2  LYS   4           HG2      LYS   4  55.405  -9.034  87.649
   34    HG3  LYS   4           HG1      LYS   4  53.689  -9.008  88.056
   35    HD2  LYS   4           HD2      LYS   4  54.886  -6.529  86.823
   36    HD3  LYS   4           HD1      LYS   4  54.597  -7.915  85.776
   37    HE2  LYS   4           HE2      LYS   4  52.413  -6.973  87.616
   38    HE3  LYS   4           HE1      LYS   4  52.701  -6.139  86.087
   39    HZ1  LYS   4           HZ1      LYS   4  52.763  -8.648  85.261
   40    HZ2  LYS   4           HZ2      LYS   4  51.331  -7.735  85.325
   41    HZ3  LYS   4           HZ3      LYS   4  51.703  -8.827  86.573
   42    H    LEU   5           HN       LEU   5  54.534 -10.980  90.291
   43    HA   LEU   5           HA       LEU   5  57.324 -11.769  89.710
   44    HB2  LEU   5           HB2      LEU   5  56.392 -12.843  91.697
   45    HB3  LEU   5           HB1      LEU   5  55.005 -13.377  90.789
   46    HG   LEU   5           HG       LEU   5  56.958 -15.054  91.340
   47   HD11  LEU   5          HD11      LEU   5  55.688 -14.965  88.607
   48   HD12  LEU   5          HD12      LEU   5  55.024 -15.701  90.064
   49   HD13  LEU   5          HD13      LEU   5  56.476 -16.363  89.324
   50   HD21  LEU   5          HD21      LEU   5  58.036 -14.183  88.677
   51   HD22  LEU   5          HD22      LEU   5  58.751 -15.246  89.870
   52   HD23  LEU   5          HD23      LEU   5  58.680 -13.527  90.167
   53    H    ILE   6           HN       ILE   6  57.817 -12.517  87.753
   54    HA   ILE   6           HA       ILE   6  55.648 -12.838  85.774
   55    HB   ILE   6           HB       ILE   6  58.636 -12.809  85.294
   56   HG12  ILE   6          HG12      ILE   6  57.923 -10.713  86.409
   57   HG13  ILE   6          HG11      ILE   6  58.425 -10.434  84.747
   58   HG21  ILE   6          HG21      ILE   6  56.242 -12.382  83.499
   59   HG22  ILE   6          HG22      ILE   6  57.310 -13.785  83.513
   60   HG23  ILE   6          HG23      ILE   6  57.925 -12.215  82.997
   61   HD11  ILE   6          HD11      ILE   6  55.617 -10.522  85.858
   62   HD12  ILE   6          HD12      ILE   6  55.952 -10.567  84.129
   63   HD13  ILE   6          HD13      ILE   6  56.435  -9.170  85.083
   64    H    LEU   7           HN       LEU   7  55.175 -14.782  84.959
   65    HA   LEU   7           HA       LEU   7  56.617 -17.085  86.051
   66    HB2  LEU   7           HB2      LEU   7  54.128 -16.827  84.355
   67    HB3  LEU   7           HB1      LEU   7  54.858 -18.366  84.764
   68    HG   LEU   7           HG       LEU   7  54.666 -17.076  87.260
   69   HD11  LEU   7          HD11      LEU   7  51.871 -16.871  86.342
   70   HD12  LEU   7          HD12      LEU   7  52.923 -15.598  85.741
   71   HD13  LEU   7          HD13      LEU   7  52.773 -15.878  87.460
   72   HD21  LEU   7          HD21      LEU   7  54.249 -19.380  87.033
   73   HD22  LEU   7          HD22      LEU   7  52.970 -19.121  85.865
   74   HD23  LEU   7          HD23      LEU   7  52.713 -18.697  87.552
   75    H    ASN   8           HN       ASN   8  58.327 -17.797  85.016
   76    HA   ASN   8           HA       ASN   8  58.216 -18.119  82.103
   77    HB2  ASN   8           HB2      ASN   8  60.802 -17.605  82.302
   78    HB3  ASN   8           HB1      ASN   8  59.647 -16.293  82.100
   79   HD21  ASN   8          HD21      ASN   8  62.360 -16.878  83.757
   80   HD22  ASN   8          HD22      ASN   8  62.023 -16.082  85.218
   81    H    GLY   9           HN       GLY   9  57.660 -20.285  82.635
   82    HA2  GLY   9           HA2      GLY   9  59.893 -21.879  83.792
   83    HA3  GLY   9           HA1      GLY   9  58.199 -22.258  84.078
   84    H    LYS  10           HN       LYS  10  58.677 -24.379  83.216
   85    HA   LYS  10           HA       LYS  10  59.574 -24.730  80.561
   86    HB2  LYS  10           HB2      LYS  10  57.728 -26.689  81.939
   87    HB3  LYS  10           HB1      LYS  10  59.048 -27.016  80.813
   88    HG2  LYS  10           HG2      LYS  10  60.477 -25.778  82.753
   89    HG3  LYS  10           HG1      LYS  10  59.163 -26.399  83.750
   90    HD2  LYS  10           HD2      LYS  10  59.598 -28.674  82.901
   91    HD3  LYS  10           HD1      LYS  10  60.910 -28.048  81.903
   92    HE2  LYS  10           HE2      LYS  10  62.054 -27.230  83.951
   93    HE3  LYS  10           HE1      LYS  10  60.763 -27.929  84.930
   94    HZ1  LYS  10           HZ1      LYS  10  63.026 -29.206  84.129
   95    HZ2  LYS  10           HZ2      LYS  10  61.855 -29.786  83.044
   96    HZ3  LYS  10           HZ3      LYS  10  61.624 -29.953  84.719
   97    H    THR  11           HN       THR  11  56.186 -24.751  81.884
   98    HA   THR  11           HA       THR  11  55.400 -23.534  79.392
   99    HB   THR  11           HB       THR  11  53.309 -25.273  80.446
  100    HG1  THR  11           HG1      THR  11  54.693 -26.845  80.868
  101   HG21  THR  11          HG21      THR  11  53.261 -25.786  78.067
  102   HG22  THR  11          HG22      THR  11  54.807 -25.010  77.858
  103   HG23  THR  11          HG23      THR  11  53.394 -24.058  78.328
  104    H    LEU  12           HN       LEU  12  55.588 -23.201  82.699
  105    HA   LEU  12           HA       LEU  12  52.994 -21.928  82.784
  106    HB2  LEU  12           HB2      LEU  12  54.955 -22.632  84.804
  107    HB3  LEU  12           HB1      LEU  12  54.411 -20.975  85.034
  108    HG   LEU  12           HG       LEU  12  52.764 -23.417  84.876
  109   HD11  LEU  12          HD11      LEU  12  52.001 -22.560  87.167
  110   HD12  LEU  12          HD12      LEU  12  53.455 -21.570  87.072
  111   HD13  LEU  12          HD13      LEU  12  53.577 -23.329  87.018
  112   HD21  LEU  12          HD21      LEU  12  51.709 -21.158  83.859
  113   HD22  LEU  12          HD22      LEU  12  51.504 -20.818  85.547
  114   HD23  LEU  12          HD23      LEU  12  50.754 -22.197  84.862
  115    H    LYS  13           HN       LYS  13  52.648 -20.032  81.807
  116    HA   LYS  13           HA       LYS  13  54.601 -17.891  82.317
  117    HB2  LYS  13           HB2      LYS  13  53.700 -18.685  79.543
  118    HB3  LYS  13           HB1      LYS  13  54.440 -17.134  79.913
  119    HG2  LYS  13           HG2      LYS  13  56.424 -18.152  79.482
  120    HG3  LYS  13           HG1      LYS  13  56.246 -18.891  81.066
  121    HD2  LYS  13           HD2      LYS  13  54.812 -20.686  79.685
  122    HD3  LYS  13           HD1      LYS  13  55.784 -20.079  78.343
  123    HE2  LYS  13           HE2      LYS  13  57.043 -21.881  79.219
  124    HE3  LYS  13           HE1      LYS  13  57.811 -20.449  79.905
  125    HZ1  LYS  13           HZ1      LYS  13  55.596 -21.497  81.425
  126    HZ2  LYS  13           HZ2      LYS  13  57.105 -20.950  81.956
  127    HZ3  LYS  13           HZ3      LYS  13  56.936 -22.526  81.352
  128    H    GLY  14           HN       GLY  14  53.727 -16.073  82.805
  129    HA2  GLY  14           HA2      GLY  14  51.638 -14.674  81.675
  130    HA3  GLY  14           HA1      GLY  14  50.923 -15.612  82.963
  131    H    GLU  15           HN       GLU  15  50.530 -13.674  84.370
  132    HA   GLU  15           HA       GLU  15  53.104 -12.704  85.540
  133    HB2  GLU  15           HB2      GLU  15  50.643 -10.988  85.499
  134    HB3  GLU  15           HB1      GLU  15  52.293 -10.535  85.873
  135    HG2  GLU  15           HG2      GLU  15  51.526 -11.585  83.160
  136    HG3  GLU  15           HG1      GLU  15  51.389  -9.882  83.572
  137    H    THR  16           HN       THR  16  52.939 -11.902  87.767
  138    HA   THR  16           HA       THR  16  50.669 -12.850  89.338
  139    HB   THR  16           HB       THR  16  52.806 -13.750  90.881
  140    HG1  THR  16           HG1      THR  16  54.216 -13.711  89.193
  141   HG21  THR  16          HG21      THR  16  51.953 -16.000  90.293
  142   HG22  THR  16          HG22      THR  16  50.974 -15.260  89.025
  143   HG23  THR  16          HG23      THR  16  50.673 -14.863  90.718
  144    H    THR  17           HN       THR  17  50.487 -11.841  91.388
  145    HA   THR  17           HA       THR  17  52.521  -9.833  92.068
  146    HB   THR  17           HB       THR  17  49.662  -8.922  91.931
  147    HG1  THR  17           HG1      THR  17  50.539  -9.820  89.870
  148   HG21  THR  17          HG21      THR  17  52.197  -7.367  91.436
  149   HG22  THR  17          HG22      THR  17  51.605  -7.647  93.070
  150   HG23  THR  17          HG23      THR  17  50.619  -6.763  91.920
  151    H    THR  18           HN       THR  18  52.201  -8.824  94.168
  152    HA   THR  18           HA       THR  18  50.249  -9.946  95.970
  153    HB   THR  18           HB       THR  18  52.234 -11.581  95.849
  154    HG1  THR  18           HG1      THR  18  52.061 -11.910  98.052
  155   HG21  THR  18          HG21      THR  18  54.246 -10.993  96.921
  156   HG22  THR  18          HG22      THR  18  53.544  -9.548  97.641
  157   HG23  THR  18          HG23      THR  18  53.885  -9.593  95.914
  158    H    GLU  19           HN       GLU  19  50.125  -8.762  97.932
  159    HA   GLU  19           HA       GLU  19  51.353  -6.062  97.844
  160    HB2  GLU  19           HB2      GLU  19  48.862  -6.232  97.842
  161    HB3  GLU  19           HB1      GLU  19  48.942  -7.107  99.367
  162    HG2  GLU  19           HG2      GLU  19  48.496  -4.885 100.015
  163    HG3  GLU  19           HG1      GLU  19  50.230  -5.039 100.264
  164    H    ALA  20           HN       ALA  20  53.086  -5.797  99.233
  165    HA   ALA  20           HA       ALA  20  52.895  -6.886 101.932
  166    HB1  ALA  20           HB1      ALA  20  54.148  -8.424  99.974
  167    HB2  ALA  20           HB2      ALA  20  54.386  -8.591 101.710
  168    HB3  ALA  20           HB3      ALA  20  55.501  -7.611 100.761
  169    H    VAL  21           HN       VAL  21  54.679  -6.198 103.300
  170    HA   VAL  21           HA       VAL  21  55.422  -3.457 102.724
  171    HB   VAL  21           HB       VAL  21  54.820  -3.674 104.967
  172   HG11  VAL  21          HG11      VAL  21  56.103  -6.399 104.781
  173   HG12  VAL  21          HG12      VAL  21  54.405  -6.013 105.043
  174   HG13  VAL  21          HG13      VAL  21  55.584  -5.704 106.313
  175   HG21  VAL  21          HG21      VAL  21  56.773  -3.437 106.312
  176   HG22  VAL  21          HG22      VAL  21  57.285  -2.894 104.716
  177   HG23  VAL  21          HG23      VAL  21  57.717  -4.505 105.279
  178    H    ASP  22           HN       ASP  22  56.881  -6.629 103.226
  179    HA   ASP  22           HA       ASP  22  59.488  -5.498 102.359
  180    HB2  ASP  22           HB2      ASP  22  59.378  -6.670 104.569
  181    HB3  ASP  22           HB1      ASP  22  59.010  -8.149 103.688
  182    H    ALA  23           HN       ALA  23  60.739  -6.549 100.891
  183    HA   ALA  23           HA       ALA  23  59.319  -7.808  98.733
  184    HB1  ALA  23           HB1      ALA  23  61.146  -6.468  98.076
  185    HB2  ALA  23           HB2      ALA  23  61.719  -8.126  97.876
  186    HB3  ALA  23           HB3      ALA  23  62.215  -7.184  99.281
  187    H    ALA  24           HN       ALA  24  61.737  -8.843 101.133
  188    HA   ALA  24           HA       ALA  24  62.015 -11.507 100.287
  189    HB1  ALA  24           HB1      ALA  24  62.142 -10.629 103.181
  190    HB2  ALA  24           HB2      ALA  24  63.428 -10.268 102.028
  191    HB3  ALA  24           HB3      ALA  24  63.027 -11.944 102.405
  192    H    THR  25           HN       THR  25  59.505 -10.037 102.522
  193    HA   THR  25           HA       THR  25  58.348 -12.556 103.222
  194    HB   THR  25           HB       THR  25  58.096 -10.162 104.358
  195    HG1  THR  25           HG1      THR  25  57.266 -11.846 105.383
  196   HG21  THR  25          HG21      THR  25  56.721  -9.434 102.178
  197   HG22  THR  25          HG22      THR  25  56.243  -8.863 103.774
  198   HG23  THR  25          HG23      THR  25  55.399 -10.223 103.035
  199    H    ALA  26           HN       ALA  26  57.976 -10.329 100.549
  200    HA   ALA  26           HA       ALA  26  55.475 -11.298  99.598
  201    HB1  ALA  26           HB1      ALA  26  57.681  -9.622  98.432
  202    HB2  ALA  26           HB2      ALA  26  56.006  -9.183  98.758
  203    HB3  ALA  26           HB3      ALA  26  56.396 -10.215  97.383
  204    H    GLU  27           HN       GLU  27  58.789 -12.170  99.077
  205    HA   GLU  27           HA       GLU  27  58.407 -13.912  96.886
  206    HB2  GLU  27           HB2      GLU  27  60.671 -14.071  96.935
  207    HB3  GLU  27           HB1      GLU  27  60.591 -12.866  98.214
  208    HG2  GLU  27           HG2      GLU  27  60.480 -14.700  99.893
  209    HG3  GLU  27           HG1      GLU  27  60.656 -15.867  98.601
  210    H    LYS  28           HN       LYS  28  58.120 -14.349 100.347
  211    HA   LYS  28           HA       LYS  28  58.232 -17.134 100.529
  212    HB2  LYS  28           HB2      LYS  28  56.456 -15.138 101.959
  213    HB3  LYS  28           HB1      LYS  28  56.565 -16.837 102.408
  214    HG2  LYS  28           HG2      LYS  28  59.000 -16.573 102.733
  215    HG3  LYS  28           HG1      LYS  28  58.854 -14.855 102.358
  216    HD2  LYS  28           HD2      LYS  28  57.187 -14.700 104.281
  217    HD3  LYS  28           HD1      LYS  28  57.642 -16.350 104.709
  218    HE2  LYS  28           HE2      LYS  28  59.933 -15.707 105.129
  219    HE3  LYS  28           HE1      LYS  28  59.686 -14.118 104.418
  220    HZ1  LYS  28           HZ1      LYS  28  57.860 -14.538 106.653
  221    HZ2  LYS  28           HZ2      LYS  28  58.984 -13.285 106.436
  222    HZ3  LYS  28           HZ3      LYS  28  59.470 -14.743 107.157
  223    H    VAL  29           HN       VAL  29  55.602 -14.975  99.570
  224    HA   VAL  29           HA       VAL  29  53.670 -17.050  99.218
  225    HB   VAL  29           HB       VAL  29  53.689 -14.336  97.889
  226   HG11  VAL  29          HG11      VAL  29  51.445 -16.174  98.781
  227   HG12  VAL  29          HG12      VAL  29  51.999 -15.985  97.116
  228   HG13  VAL  29          HG13      VAL  29  51.255 -14.625  97.958
  229   HG21  VAL  29          HG21      VAL  29  52.341 -13.659  99.926
  230   HG22  VAL  29          HG22      VAL  29  54.051 -13.949 100.243
  231   HG23  VAL  29          HG23      VAL  29  52.853 -15.167 100.682
  232    H    PHE  30           HN       PHE  30  55.622 -15.140  96.916
  233    HA   PHE  30           HA       PHE  30  54.798 -16.453  94.584
  234    HB2  PHE  30           HB2      PHE  30  57.365 -15.004  95.164
  235    HB3  PHE  30           HB1      PHE  30  56.872 -15.531  93.571
  236    HD1  PHE  30           HD2      PHE  30  54.100 -14.854  93.236
  237    HD2  PHE  30           HD1      PHE  30  57.123 -12.699  95.416
  238    HE1  PHE  30           HE2      PHE  30  52.822 -12.759  92.965
  239    HE2  PHE  30           HE1      PHE  30  55.842 -10.611  95.112
  240    HZ   PHE  30           HZ       PHE  30  53.694 -10.644  93.884
  241    H    LYS  31           HN       LYS  31  57.667 -17.083  96.643
  242    HA   LYS  31           HA       LYS  31  58.610 -19.130  94.874
  243    HB2  LYS  31           HB2      LYS  31  59.407 -18.023  97.506
  244    HB3  LYS  31           HB1      LYS  31  59.958 -19.643  97.148
  245    HG2  LYS  31           HG2      LYS  31  61.188 -18.946  95.271
  246    HG3  LYS  31           HG1      LYS  31  60.287 -17.451  95.122
  247    HD2  LYS  31           HD2      LYS  31  61.592 -16.339  96.623
  248    HD3  LYS  31           HD1      LYS  31  61.674 -17.711  97.718
  249    HE2  LYS  31           HE2      LYS  31  63.267 -18.354  95.415
  250    HE3  LYS  31           HE1      LYS  31  63.712 -16.746  95.971
  251    HZ1  LYS  31           HZ1      LYS  31  63.252 -18.684  98.063
  252    HZ2  LYS  31           HZ2      LYS  31  64.475 -17.517  97.902
  253    HZ3  LYS  31           HZ3      LYS  31  64.596 -18.998  97.079
  254    H    GLN  32           HN       GLN  32  56.607 -19.083  97.771
  255    HA   GLN  32           HA       GLN  32  56.504 -21.942  98.036
  256    HB2  GLN  32           HB2      GLN  32  56.016 -20.391  99.909
  257    HB3  GLN  32           HB1      GLN  32  54.593 -19.818  99.037
  258    HG2  GLN  32           HG2      GLN  32  53.646 -22.088  99.058
  259    HG3  GLN  32           HG1      GLN  32  55.078 -22.686  99.893
  260   HE21  GLN  32          HE21      GLN  32  51.895 -21.713 100.475
  261   HE22  GLN  32          HE22      GLN  32  52.057 -21.216 102.091
  262    H    TYR  33           HN       TYR  33  54.761 -19.433  96.376
  263    HA   TYR  33           HA       TYR  33  52.512 -20.937  95.521
  264    HB2  TYR  33           HB2      TYR  33  52.347 -18.575  95.534
  265    HB3  TYR  33           HB1      TYR  33  53.873 -18.409  94.675
  266    HD1  TYR  33           HD1      TYR  33  54.042 -18.766  92.280
  267    HD2  TYR  33           HD2      TYR  33  50.315 -19.201  94.372
  268    HE1  TYR  33           HE1      TYR  33  52.821 -18.694  90.122
  269    HE2  TYR  33           HE2      TYR  33  49.096 -19.136  92.215
  270    HH   TYR  33           HH       TYR  33  49.510 -18.203  89.904
  271    H    ALA  34           HN       ALA  34  55.701 -20.229  94.211
  272    HA   ALA  34           HA       ALA  34  55.368 -21.173  91.598
  273    HB1  ALA  34           HB1      ALA  34  57.370 -20.024  91.922
  274    HB2  ALA  34           HB2      ALA  34  57.941 -21.691  91.920
  275    HB3  ALA  34           HB3      ALA  34  57.709 -20.842  93.446
  276    H    ASN  35           HN       ASN  35  56.094 -22.960  94.654
  277    HA   ASN  35           HA       ASN  35  56.650 -25.433  93.399
  278    HB2  ASN  35           HB2      ASN  35  56.935 -24.531  95.908
  279    HB3  ASN  35           HB1      ASN  35  55.388 -25.349  96.116
  280   HD21  ASN  35          HD21      ASN  35  55.568 -27.626  96.584
  281   HD22  ASN  35          HD22      ASN  35  56.934 -28.564  96.215
  282    H    ASP  36           HN       ASP  36  53.693 -23.980  94.763
  283    HA   ASP  36           HA       ASP  36  51.969 -26.167  94.219
  284    HB2  ASP  36           HB2      ASP  36  51.037 -23.306  94.309
  285    HB3  ASP  36           HB1      ASP  36  50.241 -24.755  94.926
  286    H    ASN  37           HN       ASN  37  53.294 -23.645  92.246
  287    HA   ASN  37           HA       ASN  37  51.244 -23.920  90.195
  288    HB2  ASN  37           HB2      ASN  37  53.299 -22.009  90.960
  289    HB3  ASN  37           HB1      ASN  37  53.351 -22.320  89.245
  290   HD21  ASN  37          HD21      ASN  37  52.171 -20.694  88.214
  291   HD22  ASN  37          HD22      ASN  37  50.661 -20.121  88.737
  292    H    GLY  38           HN       GLY  38  54.501 -25.160  90.801
  293    HA2  GLY  38           HA2      GLY  38  55.180 -27.193  89.719
  294    HA3  GLY  38           HA1      GLY  38  54.272 -26.716  88.294
  295    H    VAL  39           HN       VAL  39  55.739 -23.902  88.976
  296    HA   VAL  39           HA       VAL  39  58.127 -24.585  87.338
  297    HB   VAL  39           HB       VAL  39  56.846 -23.038  86.108
  298   HG11  VAL  39          HG11      VAL  39  55.364 -22.439  88.080
  299   HG12  VAL  39          HG12      VAL  39  55.747 -21.125  86.986
  300   HG13  VAL  39          HG13      VAL  39  56.582 -21.258  88.529
  301   HG21  VAL  39          HG21      VAL  39  58.170 -21.025  86.019
  302   HG22  VAL  39          HG22      VAL  39  59.253 -22.345  86.432
  303   HG23  VAL  39          HG23      VAL  39  58.707 -21.238  87.679
  304    H    ASP  40           HN       ASP  40  59.864 -24.860  88.578
  305    HA   ASP  40           HA       ASP  40  60.483 -22.795  90.616
  306    HB2  ASP  40           HB2      ASP  40  60.671 -24.357  92.259
  307    HB3  ASP  40           HB1      ASP  40  59.922 -25.499  91.156
  308    H    GLY  41           HN       GLY  41  62.168 -21.603  89.767
  309    HA2  GLY  41           HA2      GLY  41  64.473 -23.119  88.695
  310    HA3  GLY  41           HA1      GLY  41  63.757 -21.852  87.719
  311    H    GLU  42           HN       GLU  42  65.790 -20.644  87.741
  312    HA   GLU  42           HA       GLU  42  66.933 -19.841  90.218
  313    HB2  GLU  42           HB2      GLU  42  67.462 -18.356  87.681
  314    HB3  GLU  42           HB1      GLU  42  68.584 -18.832  88.948
  315    HG2  GLU  42           HG2      GLU  42  67.344 -20.623  86.839
  316    HG3  GLU  42           HG1      GLU  42  69.046 -20.221  87.026
  317    H    TRP  43           HN       TRP  43  66.871 -17.717  91.091
  318    HA   TRP  43           HA       TRP  43  64.464 -16.167  90.308
  319    HB2  TRP  43           HB2      TRP  43  65.601 -16.805  93.019
  320    HB3  TRP  43           HB1      TRP  43  64.307 -15.641  92.742
  321    HD1  TRP  43           HD1      TRP  43  64.995 -19.456  92.448
  322    HE1  TRP  43           HE1      TRP  43  62.705 -20.645  92.410
  323    HE3  TRP  43           HE3      TRP  43  61.969 -15.407  92.357
  324    HZ2  TRP  43           HZ2      TRP  43  59.919 -19.927  92.385
  325    HZ3  TRP  43           HZ3      TRP  43  59.532 -15.658  92.348
  326    HH2  TRP  43           HH2      TRP  43  58.488 -17.903  92.365
  327    H    THR  44           HN       THR  44  64.459 -14.110  90.424
  328    HA   THR  44           HA       THR  44  66.737 -12.603  91.428
  329    HB   THR  44           HB       THR  44  67.100 -12.679  89.054
  330    HG1  THR  44           HG1      THR  44  66.986 -10.607  90.338
  331   HG21  THR  44          HG21      THR  44  65.110 -13.375  88.066
  332   HG22  THR  44          HG22      THR  44  65.138 -11.668  87.628
  333   HG23  THR  44          HG23      THR  44  64.140 -12.212  88.969
  334    H    TYR  45           HN       TYR  45  66.119 -10.358  92.152
  335    HA   TYR  45           HA       TYR  45  63.181 -10.064  92.183
  336    HB2  TYR  45           HB2      TYR  45  63.538 -10.851  94.373
  337    HB3  TYR  45           HB1      TYR  45  65.001  -9.885  94.565
  338    HD1  TYR  45           HD1      TYR  45  61.546  -9.045  93.280
  339    HD2  TYR  45           HD2      TYR  45  64.649  -8.169  96.118
  340    HE1  TYR  45           HE1      TYR  45  60.267  -7.096  94.065
  341    HE2  TYR  45           HE2      TYR  45  63.348  -6.221  96.920
  342    HH   TYR  45           HH       TYR  45  60.812  -4.888  95.219
  343    H    ASP  46           HN       ASP  46  62.615  -8.228  91.306
  344    HA   ASP  46           HA       ASP  46  64.674  -6.188  91.204
  345    HB2  ASP  46           HB2      ASP  46  63.040  -6.626  89.150
  346    HB3  ASP  46           HB1      ASP  46  61.895  -5.715  90.123
  347    H    ASP  47           HN       ASP  47  64.971  -5.015  92.928
  348    HA   ASP  47           HA       ASP  47  62.590  -4.337  94.580
  349    HB2  ASP  47           HB2      ASP  47  64.912  -5.134  95.563
  350    HB3  ASP  47           HB1      ASP  47  65.381  -3.460  95.258
  351    H    ALA  48           HN       ALA  48  64.414  -3.385  92.104
  352    HA   ALA  48           HA       ALA  48  64.517  -0.560  92.477
  353    HB1  ALA  48           HB1      ALA  48  65.958  -2.382  91.097
  354    HB2  ALA  48           HB2      ALA  48  65.870  -0.692  90.601
  355    HB3  ALA  48           HB3      ALA  48  64.846  -1.890  89.818
  356    H    THR  49           HN       THR  49  62.327  -2.871  90.960
  357    HA   THR  49           HA       THR  49  60.367  -0.784  90.266
  358    HB   THR  49           HB       THR  49  59.759  -2.513  88.347
  359    HG1  THR  49           HG1      THR  49  61.307  -4.044  89.088
  360   HG21  THR  49          HG21      THR  49  61.454  -1.434  86.837
  361   HG22  THR  49          HG22      THR  49  62.142  -0.672  88.271
  362   HG23  THR  49          HG23      THR  49  60.484  -0.311  87.789
  363    H    LYS  50           HN       LYS  50  61.063  -3.343  92.260
  364    HA   LYS  50           HA       LYS  50  59.792  -4.844  93.450
  365    HB2  LYS  50           HB2      LYS  50  57.324  -3.398  92.492
  366    HB3  LYS  50           HB1      LYS  50  57.587  -4.235  94.022
  367    HG2  LYS  50           HG2      LYS  50  58.975  -1.672  93.172
  368    HG3  LYS  50           HG1      LYS  50  57.637  -1.776  94.310
  369    HD2  LYS  50           HD2      LYS  50  59.026  -3.234  95.773
  370    HD3  LYS  50           HD1      LYS  50  60.374  -3.033  94.656
  371    HE2  LYS  50           HE2      LYS  50  60.509  -0.696  95.066
  372    HE3  LYS  50           HE1      LYS  50  58.972  -0.694  95.927
  373    HZ1  LYS  50           HZ1      LYS  50  60.394  -2.537  97.277
  374    HZ2  LYS  50           HZ2      LYS  50  60.240  -0.909  97.737
  375    HZ3  LYS  50           HZ3      LYS  50  61.599  -1.422  96.854
  376    H    THR  51           HN       THR  51  60.660  -5.935  91.264
  377    HA   THR  51           HA       THR  51  58.351  -7.483  90.267
  378    HB   THR  51           HB       THR  51  60.451  -6.245  88.455
  379    HG1  THR  51           HG1      THR  51  58.843  -5.034  87.788
  380   HG21  THR  51          HG21      THR  51  60.135  -8.482  87.663
  381   HG22  THR  51          HG22      THR  51  59.103  -7.462  86.658
  382   HG23  THR  51          HG23      THR  51  58.398  -8.413  87.965
  383    H    PHE  52           HN       PHE  52  58.686  -9.663  90.493
  384    HA   PHE  52           HA       PHE  52  61.442 -10.678  90.848
  385    HB2  PHE  52           HB2      PHE  52  58.711 -11.752  91.560
  386    HB3  PHE  52           HB1      PHE  52  60.189 -12.693  91.725
  387    HD1  PHE  52           HD2      PHE  52  58.399  -9.635  92.899
  388    HD2  PHE  52           HD1      PHE  52  61.612 -12.408  93.584
  389    HE1  PHE  52           HE2      PHE  52  58.705  -8.748  95.204
  390    HE2  PHE  52           HE1      PHE  52  61.890 -11.520  95.879
  391    HZ   PHE  52           HZ       PHE  52  60.437  -9.688  96.685
  392    H    THR  53           HN       THR  53  62.008 -12.707  89.675
  393    HA   THR  53           HA       THR  53  60.088 -13.621  87.668
  394    HB   THR  53           HB       THR  53  61.572 -13.391  85.756
  395    HG1  THR  53           HG1      THR  53  63.546 -13.493  86.755
  396   HG21  THR  53          HG21      THR  53  60.058 -11.470  86.460
  397   HG22  THR  53          HG22      THR  53  61.372 -11.044  85.386
  398   HG23  THR  53          HG23      THR  53  61.490 -10.690  87.109
  399    H    VAL  54           HN       VAL  54  60.201 -15.905  87.520
  400    HA   VAL  54           HA       VAL  54  62.694 -17.158  88.530
  401    HB   VAL  54           HB       VAL  54  60.716 -17.589  89.934
  402   HG11  VAL  54          HG11      VAL  54  58.811 -18.766  89.090
  403   HG12  VAL  54          HG12      VAL  54  59.616 -19.114  87.562
  404   HG13  VAL  54          HG13      VAL  54  59.122 -17.466  87.939
  405   HG21  VAL  54          HG21      VAL  54  61.013 -20.028  90.036
  406   HG22  VAL  54          HG22      VAL  54  62.569 -19.264  89.709
  407   HG23  VAL  54          HG23      VAL  54  61.675 -20.040  88.401
  408    H    THR  55           HN       THR  55  63.872 -18.380  87.147
  409    HA   THR  55           HA       THR  55  62.602 -19.343  84.636
  410    HB   THR  55           HB       THR  55  64.301 -17.324  84.585
  411    HG1  THR  55           HG1      THR  55  63.473 -18.466  82.779
  412   HG21  THR  55          HG21      THR  55  66.623 -17.923  84.485
  413   HG22  THR  55          HG22      THR  55  66.259 -19.637  84.492
  414   HG23  THR  55          HG23      THR  55  66.002 -18.669  85.941
  415    H    GLU  56           HN       GLU  56  62.682 -21.557  84.356
  416    HA   GLU  56           HA       GLU  56  64.834 -23.056  85.763
  417    HB2  GLU  56           HB2      GLU  56  63.067 -24.993  85.420
  418    HB3  GLU  56           HB1      GLU  56  62.897 -23.862  86.765
  419    HG2  GLU  56           HG2      GLU  56  61.332 -22.514  85.509
  420    HG3  GLU  56           HG1      GLU  56  61.568 -23.505  84.072
  421    H1   MET   1           HT1      MET   1  68.274 -23.781  70.034
  422    H2   MET   1           HT2      MET   1  69.624 -23.888  69.009
  423    H3   MET   1           HT3      MET   1  69.046 -22.368  69.501
  424    HA   MET   1           HA       MET   1  70.098 -24.412  71.364
  425    HB2  MET   1           HB2      MET   1  72.199 -23.842  70.690
  426    HB3  MET   1           HB1      MET   1  71.508 -22.818  69.448
  427    HG2  MET   1           HG2      MET   1  71.317 -21.031  71.387
  428    HG3  MET   1           HG1      MET   1  72.497 -22.062  72.194
  429    HE1  MET   1           HE1      MET   1  72.517 -21.062  68.001
  430    HE2  MET   1           HE2      MET   1  72.585 -19.427  68.645
  431    HE3  MET   1           HE3      MET   1  71.297 -20.511  69.153
  432    H    GLN   2           HN       GLN   2  70.889 -23.046  73.391
  433    HA   GLN   2           HA       GLN   2  68.825 -20.997  74.021
  434    HB2  GLN   2           HB2      GLN   2  69.861 -23.251  75.758
  435    HB3  GLN   2           HB1      GLN   2  68.877 -21.917  76.354
  436    HG2  GLN   2           HG2      GLN   2  67.037 -22.554  74.912
  437    HG3  GLN   2           HG1      GLN   2  68.025 -23.788  74.129
  438   HE21  GLN   2          HE21      GLN   2  69.140 -24.208  77.196
  439   HE22  GLN   2          HE22      GLN   2  67.974 -25.272  77.821
  440    H    TYR   3           HN       TYR   3  69.492 -19.222  75.159
  441    HA   TYR   3           HA       TYR   3  72.339 -19.123  75.975
  442    HB2  TYR   3           HB2      TYR   3  70.864 -16.579  75.417
  443    HB3  TYR   3           HB1      TYR   3  72.581 -16.951  75.256
  444    HD1  TYR   3           HD1      TYR   3  69.265 -17.984  73.853
  445    HD2  TYR   3           HD2      TYR   3  73.432 -17.246  73.097
  446    HE1  TYR   3           HE1      TYR   3  68.904 -18.400  71.441
  447    HE2  TYR   3           HE2      TYR   3  73.065 -17.663  70.681
  448    HH   TYR   3           HH       TYR   3  69.833 -18.082  69.365
  449    H    LYS   4           HN       LYS   4  72.766 -17.819  77.837
  450    HA   LYS   4           HA       LYS   4  70.433 -17.664  79.685
  451    HB2  LYS   4           HB2      LYS   4  71.856 -19.466  80.361
  452    HB3  LYS   4           HB1      LYS   4  73.304 -18.494  80.144
  453    HG2  LYS   4           HG2      LYS   4  72.658 -17.063  82.040
  454    HG3  LYS   4           HG1      LYS   4  71.158 -17.969  82.236
  455    HD2  LYS   4           HD2      LYS   4  73.757 -19.503  82.260
  456    HD3  LYS   4           HD1      LYS   4  73.337 -18.561  83.688
  457    HE2  LYS   4           HE2      LYS   4  71.299 -20.408  82.469
  458    HE3  LYS   4           HE1      LYS   4  72.547 -21.045  83.543
  459    HZ1  LYS   4           HZ1      LYS   4  71.769 -18.948  84.941
  460    HZ2  LYS   4           HZ2      LYS   4  71.042 -20.475  85.097
  461    HZ3  LYS   4           HZ3      LYS   4  70.313 -19.278  84.136
  462    H    LEU   5           HN       LEU   5  69.984 -15.691  80.493
  463    HA   LEU   5           HA       LEU   5  72.069 -13.595  80.314
  464    HB2  LEU   5           HB2      LEU   5  70.040 -13.036  79.095
  465    HB3  LEU   5           HB1      LEU   5  69.057 -13.409  80.481
  466    HG   LEU   5           HG       LEU   5  69.556 -10.911  79.858
  467   HD11  LEU   5          HD11      LEU   5  69.755 -11.842  82.720
  468   HD12  LEU   5          HD12      LEU   5  68.276 -11.547  81.809
  469   HD13  LEU   5          HD13      LEU   5  69.359 -10.215  82.188
  470   HD21  LEU   5          HD21      LEU   5  71.898 -11.237  81.702
  471   HD22  LEU   5          HD22      LEU   5  71.471  -9.883  80.676
  472   HD23  LEU   5          HD23      LEU   5  72.100 -11.351  79.963
  473    H    ILE   6           HN       ILE   6  72.936 -12.824  82.143
  474    HA   ILE   6           HA       ILE   6  71.912 -13.842  84.720
  475    HB   ILE   6           HB       ILE   6  74.468 -12.309  84.201
  476   HG12  ILE   6          HG12      ILE   6  74.422 -14.366  82.825
  477   HG13  ILE   6          HG11      ILE   6  75.621 -14.469  84.109
  478   HG21  ILE   6          HG21      ILE   6  73.541 -14.085  86.465
  479   HG22  ILE   6          HG22      ILE   6  73.723 -12.331  86.511
  480   HG23  ILE   6          HG23      ILE   6  75.144 -13.360  86.338
  481   HD11  ILE   6          HD11      ILE   6  72.907 -15.793  83.981
  482   HD12  ILE   6          HD12      ILE   6  73.852 -15.713  85.467
  483   HD13  ILE   6          HD13      ILE   6  74.487 -16.564  84.063
  484    H    LEU   7           HN       LEU   7  70.995 -12.532  86.159
  485    HA   LEU   7           HA       LEU   7  70.587  -9.738  85.384
  486    HB2  LEU   7           HB2      LEU   7  69.487 -11.458  87.607
  487    HB3  LEU   7           HB1      LEU   7  69.157  -9.739  87.479
  488    HG   LEU   7           HG       LEU   7  68.580 -10.741  84.895
  489   HD11  LEU   7          HD11      LEU   7  67.151 -12.494  86.871
  490   HD12  LEU   7          HD12      LEU   7  68.642 -13.020  86.111
  491   HD13  LEU   7          HD13      LEU   7  67.235 -12.635  85.126
  492   HD21  LEU   7          HD21      LEU   7  67.322  -9.022  85.948
  493   HD22  LEU   7          HD22      LEU   7  66.843 -10.087  87.260
  494   HD23  LEU   7          HD23      LEU   7  66.208 -10.349  85.638
  495    H    ASN   8           HN       ASN   8  72.034  -8.310  85.978
  496    HA   ASN   8           HA       ASN   8  73.030  -8.319  88.741
  497    HB2  ASN   8           HB2      ASN   8  75.199  -7.364  87.601
  498    HB3  ASN   8           HB1      ASN   8  74.966  -9.106  87.719
  499   HD21  ASN   8          HD21      ASN   8  76.104  -6.944  85.581
  500   HD22  ASN   8          HD22      ASN   8  75.584  -7.639  84.122
  501    H    GLY   9           HN       GLY   9  71.384  -6.735  89.072
  502    HA2  GLY   9           HA2      GLY   9  71.912  -4.121  87.738
  503    HA3  GLY   9           HA1      GLY   9  70.293  -4.681  88.139
  504    H    LYS  10           HN       LYS  10  70.081  -2.677  89.327
  505    HA   LYS  10           HA       LYS  10  71.734  -2.102  91.551
  506    HB2  LYS  10           HB2      LYS  10  68.834  -1.262  91.398
  507    HB3  LYS  10           HB1      LYS  10  70.203  -0.391  92.092
  508    HG2  LYS  10           HG2      LYS  10  71.111  -0.561  89.560
  509    HG3  LYS  10           HG1      LYS  10  69.387  -0.669  89.213
  510    HD2  LYS  10           HD2      LYS  10  69.023   1.433  90.477
  511    HD3  LYS  10           HD1      LYS  10  70.760   1.543  90.765
  512    HE2  LYS  10           HE2      LYS  10  71.141   1.571  88.307
  513    HE3  LYS  10           HE1      LYS  10  69.395   1.547  88.057
  514    HZ1  LYS  10           HZ1      LYS  10  70.940   3.769  88.379
  515    HZ2  LYS  10           HZ2      LYS  10  70.204   3.577  89.898
  516    HZ3  LYS  10           HZ3      LYS  10  69.249   3.704  88.499
  517    H    THR  11           HN       THR  11  68.497  -3.739  91.389
  518    HA   THR  11           HA       THR  11  69.381  -5.310  93.645
  519    HB   THR  11           HB       THR  11  66.501  -4.863  93.720
  520    HG1  THR  11           HG1      THR  11  66.632  -2.793  93.306
  521   HG21  THR  11          HG21      THR  11  67.106  -4.526  96.029
  522   HG22  THR  11          HG22      THR  11  68.786  -4.334  95.583
  523   HG23  THR  11          HG23      THR  11  67.984  -5.896  95.379
  524    H    LEU  12           HN       LEU  12  68.376  -5.327  90.444
  525    HA   LEU  12           HA       LEU  12  66.886  -7.779  90.874
  526    HB2  LEU  12           HB2      LEU  12  67.347  -6.081  88.555
  527    HB3  LEU  12           HB1      LEU  12  67.545  -7.775  88.134
  528    HG   LEU  12           HG       LEU  12  65.226  -6.471  89.360
  529   HD11  LEU  12          HD11      LEU  12  64.080  -7.570  87.305
  530   HD12  LEU  12          HD12      LEU  12  65.725  -7.600  86.696
  531   HD13  LEU  12          HD13      LEU  12  64.982  -6.075  87.131
  532   HD21  LEU  12          HD21      LEU  12  65.668  -8.925  90.215
  533   HD22  LEU  12          HD22      LEU  12  65.153  -9.346  88.616
  534   HD23  LEU  12          HD23      LEU  12  64.074  -8.516  89.669
  535    H    LYS  13           HN       LYS  13  67.861  -9.690  91.321
  536    HA   LYS  13           HA       LYS  13  70.186 -10.396  89.661
  537    HB2  LYS  13           HB2      LYS  13  70.263 -10.415  92.681
  538    HB3  LYS  13           HB1      LYS  13  71.398 -11.315  91.686
  539    HG2  LYS  13           HG2      LYS  13  72.678  -9.440  91.744
  540    HG3  LYS  13           HG1      LYS  13  71.566  -8.800  90.549
  541    HD2  LYS  13           HD2      LYS  13  70.164  -8.126  92.741
  542    HD3  LYS  13           HD1      LYS  13  71.762  -8.204  93.486
  543    HE2  LYS  13           HE2      LYS  13  71.552  -5.958  92.767
  544    HE3  LYS  13           HE1      LYS  13  72.531  -6.721  91.510
  545    HZ1  LYS  13           HZ1      LYS  13  69.663  -6.877  91.167
  546    HZ2  LYS  13           HZ2      LYS  13  70.871  -6.601  90.017
  547    HZ3  LYS  13           HZ3      LYS  13  70.326  -5.331  91.001
  548    H    GLY  14           HN       GLY  14  70.119 -12.342  88.953
  549    HA2  GLY  14           HA2      GLY  14  69.722 -14.739  90.225
  550    HA3  GLY  14           HA1      GLY  14  68.134 -14.319  89.620
  551    H    GLU  15           HN       GLU  15  68.168 -16.044  87.917
  552    HA   GLU  15           HA       GLU  15  70.072 -15.345  85.719
  553    HB2  GLU  15           HB2      GLU  15  68.962 -18.117  86.037
  554    HB3  GLU  15           HB1      GLU  15  70.297 -17.568  85.045
  555    HG2  GLU  15           HG2      GLU  15  70.372 -17.330  88.043
  556    HG3  GLU  15           HG1      GLU  15  70.873 -18.795  87.216
  557    H    THR  16           HN       THR  16  69.355 -15.945  83.537
  558    HA   THR  16           HA       THR  16  66.466 -16.204  83.128
  559    HB   THR  16           HB       THR  16  67.177 -14.170  81.330
  560    HG1  THR  16           HG1      THR  16  68.943 -13.581  82.474
  561   HG21  THR  16          HG21      THR  16  65.655 -12.797  82.688
  562   HG22  THR  16          HG22      THR  16  65.712 -14.021  83.956
  563   HG23  THR  16          HG23      THR  16  65.009 -14.409  82.385
  564    H    THR  17           HN       THR  17  65.925 -17.014  81.051
  565    HA   THR  17           HA       THR  17  68.157 -17.578  79.222
  566    HB   THR  17           HB       THR  17  66.372 -19.865  80.010
  567    HG1  THR  17           HG1      THR  17  67.548 -18.785  81.833
  568   HG21  THR  17          HG21      THR  17  69.275 -19.893  79.200
  569   HG22  THR  17          HG22      THR  17  67.994 -19.837  77.993
  570   HG23  THR  17          HG23      THR  17  68.097 -21.193  79.100
  571    H    THR  18           HN       THR  18  67.494 -18.412  77.140
  572    HA   THR  18           HA       THR  18  64.688 -18.334  76.451
  573    HB   THR  18           HB       THR  18  65.596 -15.927  76.377
  574    HG1  THR  18           HG1      THR  18  64.409 -15.566  74.512
  575   HG21  THR  18          HG21      THR  18  67.012 -15.312  74.589
  576   HG22  THR  18          HG22      THR  18  66.802 -16.861  73.779
  577   HG23  THR  18          HG23      THR  18  67.764 -16.762  75.250
  578    H    GLU  19           HN       GLU  19  64.281 -19.241  74.400
  579    HA   GLU  19           HA       GLU  19  66.478 -20.905  73.306
  580    HB2  GLU  19           HB2      GLU  19  64.444 -22.070  74.169
  581    HB3  GLU  19           HB1      GLU  19  63.466 -21.168  73.017
  582    HG2  GLU  19           HG2      GLU  19  63.838 -23.217  71.923
  583    HG3  GLU  19           HG1      GLU  19  65.051 -22.166  71.206
  584    H    ALA  20           HN       ALA  20  67.366 -20.098  71.470
  585    HA   ALA  20           HA       ALA  20  65.625 -19.070  69.358
  586    HB1  ALA  20           HB1      ALA  20  66.826 -17.267  71.142
  587    HB2  ALA  20           HB2      ALA  20  66.144 -16.870  69.569
  588    HB3  ALA  20           HB3      ALA  20  67.866 -17.210  69.720
  589    H    VAL  21           HN       VAL  21  66.773 -18.688  67.344
  590    HA   VAL  21           HA       VAL  21  68.774 -20.723  66.861
  591    HB   VAL  21           HB       VAL  21  67.252 -20.573  65.084
  592   HG11  VAL  21          HG11      VAL  21  67.389 -17.581  65.521
  593   HG12  VAL  21          HG12      VAL  21  66.003 -18.644  65.745
  594   HG13  VAL  21          HG13      VAL  21  66.601 -18.305  64.124
  595   HG21  VAL  21          HG21      VAL  21  68.482 -19.825  63.201
  596   HG22  VAL  21          HG22      VAL  21  69.725 -20.203  64.392
  597   HG23  VAL  21          HG23      VAL  21  69.258 -18.526  64.108
  598    H    ASP  22           HN       ASP  22  68.463 -17.207  66.873
  599    HA   ASP  22           HA       ASP  22  71.406 -16.964  66.529
  600    HB2  ASP  22           HB2      ASP  22  70.002 -15.884  64.795
  601    HB3  ASP  22           HB1      ASP  22  69.292 -14.870  66.047
  602    H    ALA  23           HN       ALA  23  72.530 -15.378  67.663
  603    HA   ALA  23           HA       ALA  23  71.789 -15.169  70.430
  604    HB1  ALA  23           HB1      ALA  23  74.102 -15.416  70.030
  605    HB2  ALA  23           HB2      ALA  23  73.920 -13.719  70.472
  606    HB3  ALA  23           HB3      ALA  23  74.106 -14.174  68.779
  607    H    ALA  24           HN       ALA  24  72.168 -12.862  67.746
  608    HA   ALA  24           HA       ALA  24  71.531 -10.526  69.178
  609    HB1  ALA  24           HB1      ALA  24  70.829 -10.976  66.269
  610    HB2  ALA  24           HB2      ALA  24  72.485 -10.690  66.806
  611    HB3  ALA  24           HB3      ALA  24  71.248  -9.458  67.064
  612    H    THR  25           HN       THR  25  69.303 -12.915  67.504
  613    HA   THR  25           HA       THR  25  66.944 -11.374  67.922
  614    HB   THR  25           HB       THR  25  67.430 -13.495  66.365
  615    HG1  THR  25           HG1      THR  25  65.599 -12.349  66.135
  616   HG21  THR  25          HG21      THR  25  67.536 -14.948  68.574
  617   HG22  THR  25          HG22      THR  25  66.692 -15.575  67.159
  618   HG23  THR  25          HG23      THR  25  65.777 -14.854  68.483
  619    H    ALA  26           HN       ALA  26  68.767 -13.626  69.891
  620    HA   ALA  26           HA       ALA  26  66.745 -14.152  71.826
  621    HB1  ALA  26           HB1      ALA  26  69.732 -14.500  71.743
  622    HB2  ALA  26           HB2      ALA  26  68.474 -15.733  71.817
  623    HB3  ALA  26           HB3      ALA  26  68.848 -14.770  73.245
  624    H    GLU  27           HN       GLU  27  69.212 -11.731  71.457
  625    HA   GLU  27           HA       GLU  27  69.102 -10.574  74.020
  626    HB2  GLU  27           HB2      GLU  27  70.731  -9.229  73.164
  627    HB3  GLU  27           HB1      GLU  27  70.573 -10.164  71.681
  628    HG2  GLU  27           HG2      GLU  27  68.780  -8.550  70.940
  629    HG3  GLU  27           HG1      GLU  27  69.150  -7.574  72.356
  630    H    LYS  28           HN       LYS  28  67.089 -10.218  71.181
  631    HA   LYS  28           HA       LYS  28  65.830  -7.794  71.774
  632    HB2  LYS  28           HB2      LYS  28  64.664 -10.273  70.473
  633    HB3  LYS  28           HB1      LYS  28  63.921  -8.674  70.445
  634    HG2  LYS  28           HG2      LYS  28  66.057  -7.806  69.401
  635    HG3  LYS  28           HG1      LYS  28  66.575  -9.484  69.237
  636    HD2  LYS  28           HD2      LYS  28  64.458  -9.945  67.941
  637    HD3  LYS  28           HD1      LYS  28  64.106  -8.218  67.991
  638    HE2  LYS  28           HE2      LYS  28  65.945  -7.668  66.604
  639    HE3  LYS  28           HE1      LYS  28  66.774  -9.184  66.935
  640    HZ1  LYS  28           HZ1      LYS  28  64.229  -9.697  65.619
  641    HZ2  LYS  28           HZ2      LYS  28  65.783 -10.155  65.112
  642    HZ3  LYS  28           HZ3      LYS  28  65.163  -8.635  64.680
  643    H    VAL  29           HN       VAL  29  65.149 -11.083  72.859
  644    HA   VAL  29           HA       VAL  29  62.839 -10.377  74.381
  645    HB   VAL  29           HB       VAL  29  64.648 -12.756  74.830
  646   HG11  VAL  29          HG11      VAL  29  61.668 -12.336  75.225
  647   HG12  VAL  29          HG12      VAL  29  62.872 -12.301  76.514
  648   HG13  VAL  29          HG13      VAL  29  62.576 -13.794  75.626
  649   HG21  VAL  29          HG21      VAL  29  63.053 -13.898  73.222
  650   HG22  VAL  29          HG22      VAL  29  64.141 -12.730  72.472
  651   HG23  VAL  29          HG23      VAL  29  62.460 -12.296  72.783
  652    H    PHE  30           HN       PHE  30  66.214 -11.112  75.282
  653    HA   PHE  30           HA       PHE  30  65.984 -10.608  78.025
  654    HB2  PHE  30           HB2      PHE  30  68.369 -10.396  76.207
  655    HB3  PHE  30           HB1      PHE  30  68.460 -10.300  77.953
  656    HD1  PHE  30           HD2      PHE  30  66.817 -12.376  79.051
  657    HD2  PHE  30           HD1      PHE  30  69.111 -12.452  75.408
  658    HE1  PHE  30           HE2      PHE  30  66.918 -14.840  79.152
  659    HE2  PHE  30           HE1      PHE  30  69.223 -14.918  75.545
  660    HZ   PHE  30           HZ       PHE  30  68.130 -16.107  77.419
  661    H    LYS  31           HN       LYS  31  66.997  -8.392  75.396
  662    HA   LYS  31           HA       LYS  31  67.527  -6.245  77.203
  663    HB2  LYS  31           HB2      LYS  31  67.183  -6.412  74.214
  664    HB3  LYS  31           HB1      LYS  31  67.279  -4.841  75.008
  665    HG2  LYS  31           HG2      LYS  31  69.434  -5.720  76.124
  666    HG3  LYS  31           HG1      LYS  31  69.370  -7.028  74.945
  667    HD2  LYS  31           HD2      LYS  31  69.439  -5.422  73.113
  668    HD3  LYS  31           HD1      LYS  31  69.358  -4.081  74.248
  669    HE2  LYS  31           HE2      LYS  31  71.508  -4.663  75.187
  670    HE3  LYS  31           HE1      LYS  31  71.574  -6.141  74.223
  671    HZ1  LYS  31           HZ1      LYS  31  71.086  -4.094  72.447
  672    HZ2  LYS  31           HZ2      LYS  31  72.539  -4.953  72.644
  673    HZ3  LYS  31           HZ3      LYS  31  72.284  -3.500  73.489
  674    H    GLN  32           HN       GLN  32  64.735  -7.062  75.159
  675    HA   GLN  32           HA       GLN  32  63.177  -4.814  75.914
  676    HB2  GLN  32           HB2      GLN  32  62.731  -6.270  73.944
  677    HB3  GLN  32           HB1      GLN  32  62.249  -7.558  75.049
  678    HG2  GLN  32           HG2      GLN  32  60.454  -6.174  75.947
  679    HG3  GLN  32           HG1      GLN  32  60.971  -4.811  74.956
  680   HE21  GLN  32          HE21      GLN  32  58.662  -7.279  75.052
  681   HE22  GLN  32          HE22      GLN  32  58.360  -7.429  73.389
  682    H    TYR  33           HN       TYR  33  63.757  -7.974  77.252
  683    HA   TYR  33           HA       TYR  33  61.700  -8.011  79.202
  684    HB2  TYR  33           HB2      TYR  33  62.676 -10.065  78.564
  685    HB3  TYR  33           HB1      TYR  33  64.301  -9.423  78.769
  686    HD1  TYR  33           HD2      TYR  33  61.335 -10.723  80.487
  687    HD2  TYR  33           HD1      TYR  33  65.333  -9.219  80.944
  688    HE1  TYR  33           HE2      TYR  33  61.407 -11.612  82.801
  689    HE2  TYR  33           HE1      TYR  33  65.407 -10.115  83.253
  690    HH   TYR  33           HH       TYR  33  62.903 -12.208  84.489
  691    H    ALA  34           HN       ALA  34  65.067  -6.955  79.146
  692    HA   ALA  34           HA       ALA  34  65.460  -6.521  81.882
  693    HB1  ALA  34           HB1      ALA  34  67.409  -6.401  80.604
  694    HB2  ALA  34           HB2      ALA  34  67.101  -4.700  80.947
  695    HB3  ALA  34           HB3      ALA  34  66.661  -5.377  79.381
  696    H    ASN  35           HN       ASN  35  63.924  -4.412  79.382
  697    HA   ASN  35           HA       ASN  35  63.738  -2.125  81.031
  698    HB2  ASN  35           HB2      ASN  35  63.303  -2.575  78.412
  699    HB3  ASN  35           HB1      ASN  35  61.635  -2.663  78.971
  700   HD21  ASN  35          HD21      ASN  35  60.568  -0.596  79.125
  701   HD22  ASN  35          HD22      ASN  35  61.387   0.885  79.254
  702    H    ASP  36           HN       ASP  36  61.518  -4.827  80.337
  703    HA   ASP  36           HA       ASP  36  59.407  -3.948  82.018
  704    HB2  ASP  36           HB2      ASP  36  59.932  -6.848  81.400
  705    HB3  ASP  36           HB1      ASP  36  58.390  -5.996  81.522
  706    H    ASN  37           HN       ASN  37  62.428  -5.540  82.643
  707    HA   ASN  37           HA       ASN  37  61.564  -6.570  85.224
  708    HB2  ASN  37           HB2      ASN  37  63.747  -6.985  83.343
  709    HB3  ASN  37           HB1      ASN  37  64.342  -6.864  84.976
  710   HD21  ASN  37          HD21      ASN  37  64.491  -8.907  85.917
  711   HD22  ASN  37          HD22      ASN  37  63.393 -10.174  85.657
  712    H    GLY  38           HN       GLY  38  63.275  -3.723  84.010
  713    HA2  GLY  38           HA2      GLY  38  63.315  -1.735  85.350
  714    HA3  GLY  38           HA1      GLY  38  63.413  -2.730  86.792
  715    H    VAL  39           HN       VAL  39  65.593  -4.236  84.900
  716    HA   VAL  39           HA       VAL  39  67.820  -2.506  85.848
  717    HB   VAL  39           HB       VAL  39  67.995  -4.591  86.935
  718   HG11  VAL  39          HG11      VAL  39  66.358  -5.755  85.392
  719   HG12  VAL  39          HG12      VAL  39  67.727  -6.727  85.902
  720   HG13  VAL  39          HG13      VAL  39  67.701  -6.016  84.293
  721   HG21  VAL  39          HG21      VAL  39  70.021  -5.609  86.047
  722   HG22  VAL  39          HG22      VAL  39  70.122  -3.867  85.859
  723   HG23  VAL  39          HG23      VAL  39  69.743  -4.877  84.476
  724    H    ASP  40           HN       ASP  40  68.559  -1.255  84.256
  725    HA   ASP  40           HA       ASP  40  69.166  -2.520  81.641
  726    HB2  ASP  40           HB2      ASP  40  67.931  -0.979  80.511
  727    HB3  ASP  40           HB1      ASP  40  67.251  -0.506  82.059
  728    H    GLY  41           HN       GLY  41  71.388  -2.688  81.548
  729    HA2  GLY  41           HA2      GLY  41  72.946  -0.265  82.223
  730    HA3  GLY  41           HA1      GLY  41  73.366  -1.783  82.996
  731    H    GLU  42           HN       GLU  42  75.516  -1.724  82.006
  732    HA   GLU  42           HA       GLU  42  75.743  -1.622  79.176
  733    HB2  GLU  42           HB2      GLU  42  77.914  -2.752  80.910
  734    HB3  GLU  42           HB1      GLU  42  78.035  -1.701  79.504
  735    HG2  GLU  42           HG2      GLU  42  77.110  -0.921  82.280
  736    HG3  GLU  42           HG1      GLU  42  78.574  -0.389  81.460
  737    H    TRP  43           HN       TRP  43  75.748  -3.228  77.783
  738    HA   TRP  43           HA       TRP  43  75.121  -5.928  78.761
  739    HB2  TRP  43           HB2      TRP  43  74.665  -4.520  76.133
  740    HB3  TRP  43           HB1      TRP  43  74.354  -6.240  76.380
  741    HD1  TRP  43           HD1      TRP  43  73.087  -2.774  77.488
  742    HE1  TRP  43           HE1      TRP  43  70.791  -3.079  78.618
  743    HE3  TRP  43           HE3      TRP  43  72.837  -7.850  77.563
  744    HZ2  TRP  43           HZ2      TRP  43  69.066  -5.204  79.410
  745    HZ3  TRP  43           HZ3      TRP  43  70.861  -8.991  78.494
  746    HH2  TRP  43           HH2      TRP  43  68.971  -7.684  79.418
  747    H    THR  44           HN       THR  44  75.850  -7.691  77.625
  748    HA   THR  44           HA       THR  44  78.188  -7.545  75.932
  749    HB   THR  44           HB       THR  44  79.282  -7.325  78.092
  750    HG1  THR  44           HG1      THR  44  79.722  -9.210  76.427
  751   HG21  THR  44          HG21      THR  44  77.699  -8.018  79.684
  752   HG22  THR  44          HG22      THR  44  78.909  -9.297  79.735
  753   HG23  THR  44          HG23      THR  44  77.397  -9.553  78.871
  754    H    TYR  45           HN       TYR  45  78.744  -9.795  75.144
  755    HA   TYR  45           HA       TYR  45  76.806 -11.862  75.834
  756    HB2  TYR  45           HB2      TYR  45  75.586 -10.792  74.068
  757    HB3  TYR  45           HB1      TYR  45  77.020 -10.711  73.050
  758    HD1  TYR  45           HD1      TYR  45  75.258 -13.378  75.058
  759    HD2  TYR  45           HD2      TYR  45  77.062 -12.283  71.313
  760    HE1  TYR  45           HE1      TYR  45  74.755 -15.624  74.159
  761    HE2  TYR  45           HE2      TYR  45  76.554 -14.536  70.415
  762    HH   TYR  45           HH       TYR  45  75.725 -17.131  72.322
  763    H    ASP  46           HN       ASP  46  77.876 -13.666  76.075
  764    HA   ASP  46           HA       ASP  46  80.405 -14.026  74.601
  765    HB2  ASP  46           HB2      ASP  46  80.568 -14.406  77.031
  766    HB3  ASP  46           HB1      ASP  46  79.261 -15.600  76.939
  767    H    ASP  47           HN       ASP  47  80.095 -15.030  72.620
  768    HA   ASP  47           HA       ASP  47  77.765 -16.703  72.175
  769    HB2  ASP  47           HB2      ASP  47  78.842 -15.047  70.503
  770    HB3  ASP  47           HB1      ASP  47  80.038 -16.312  70.232
  771    H    ALA  48           HN       ALA  48  80.854 -17.137  73.373
  772    HA   ALA  48           HA       ALA  48  81.354 -19.776  72.311
  773    HB1  ALA  48           HB1      ALA  48  83.063 -18.015  73.168
  774    HB2  ALA  48           HB2      ALA  48  83.339 -19.713  73.557
  775    HB3  ALA  48           HB3      ALA  48  82.656 -18.630  74.771
  776    H    THR  49           HN       THR  49  79.656 -18.413  75.086
  777    HA   THR  49           HA       THR  49  79.040 -21.142  76.059
  778    HB   THR  49           HB       THR  49  78.807 -19.881  78.369
  779    HG1  THR  49           HG1      THR  49  79.193 -17.822  77.525
  780   HG21  THR  49          HG21      THR  49  81.181 -20.340  78.876
  781   HG22  THR  49          HG22      THR  49  81.506 -20.500  77.149
  782   HG23  THR  49          HG23      THR  49  80.440 -21.650  77.958
  783    H    LYS  50           HN       LYS  50  77.777 -18.750  74.356
  784    HA   LYS  50           HA       LYS  50  75.706 -17.748  74.155
  785    HB2  LYS  50           HB2      LYS  50  74.609 -20.249  75.433
  786    HB3  LYS  50           HB1      LYS  50  73.919 -19.287  74.129
  787    HG2  LYS  50           HG2      LYS  50  76.471 -20.921  73.902
  788    HG3  LYS  50           HG1      LYS  50  74.892 -21.437  73.323
  789    HD2  LYS  50           HD2      LYS  50  74.807 -19.418  71.854
  790    HD3  LYS  50           HD1      LYS  50  76.440 -19.006  72.374
  791    HE2  LYS  50           HE2      LYS  50  77.378 -20.917  71.350
  792    HE3  LYS  50           HE1      LYS  50  75.811 -21.706  71.183
  793    HZ1  LYS  50           HZ1      LYS  50  75.436 -19.409  69.843
  794    HZ2  LYS  50           HZ2      LYS  50  75.882 -20.881  69.122
  795    HZ3  LYS  50           HZ3      LYS  50  77.068 -19.725  69.503
  796    H    THR  51           HN       THR  51  76.879 -16.649  76.297
  797    HA   THR  51           HA       THR  51  74.709 -16.566  78.337
  798    HB   THR  51           HB       THR  51  77.702 -16.514  78.843
  799    HG1  THR  51           HG1      THR  51  77.350 -18.428  79.751
  800   HG21  THR  51          HG21      THR  51  76.784 -14.884  80.328
  801   HG22  THR  51          HG22      THR  51  76.894 -16.362  81.284
  802   HG23  THR  51          HG23      THR  51  75.340 -15.854  80.621
  803    H    PHE  52           HN       PHE  52  73.826 -14.561  78.636
  804    HA   PHE  52           HA       PHE  52  75.299 -12.180  77.668
  805    HB2  PHE  52           HB2      PHE  52  72.376 -12.750  78.180
  806    HB3  PHE  52           HB1      PHE  52  72.999 -11.145  77.819
  807    HD1  PHE  52           HD2      PHE  52  72.484 -14.573  76.499
  808    HD2  PHE  52           HD1      PHE  52  73.655 -10.536  75.606
  809    HE1  PHE  52           HE2      PHE  52  72.260 -15.029  74.065
  810    HE2  PHE  52           HE1      PHE  52  73.419 -11.002  73.185
  811    HZ   PHE  52           HZ       PHE  52  72.721 -13.249  72.418
  812    H    THR  53           HN       THR  53  75.204 -10.243  79.106
  813    HA   THR  53           HA       THR  53  74.157 -10.655  81.796
  814    HB   THR  53           HB       THR  53  76.203 -10.202  82.998
  815    HG1  THR  53           HG1      THR  53  77.312  -8.924  81.632
  816   HG21  THR  53          HG21      THR  53  75.745 -12.578  82.339
  817   HG22  THR  53          HG22      THR  53  77.444 -12.240  82.606
  818   HG23  THR  53          HG23      THR  53  76.814 -12.362  80.964
  819    H    VAL  54           HN       VAL  54  73.254  -8.689  82.535
  820    HA   VAL  54           HA       VAL  54  74.185  -6.208  81.169
  821    HB   VAL  54           HB       VAL  54  71.844  -6.837  80.666
  822   HG11  VAL  54          HG11      VAL  54  70.182  -6.981  82.369
  823   HG12  VAL  54          HG12      VAL  54  71.275  -6.344  83.591
  824   HG13  VAL  54          HG13      VAL  54  71.532  -7.959  82.940
  825   HG21  VAL  54          HG21      VAL  54  70.861  -4.650  81.182
  826   HG22  VAL  54          HG22      VAL  54  72.561  -4.436  80.766
  827   HG23  VAL  54          HG23      VAL  54  72.054  -4.384  82.454
  828    H    THR  55           HN       THR  55  75.216  -4.760  82.420
  829    HA   THR  55           HA       THR  55  74.783  -4.803  85.359
  830    HB   THR  55           HB       THR  55  77.014  -5.762  84.404
  831    HG1  THR  55           HG1      THR  55  76.640  -5.285  86.584
  832   HG21  THR  55          HG21      THR  55  78.733  -4.208  83.855
  833   HG22  THR  55          HG22      THR  55  77.775  -2.833  84.403
  834   HG23  THR  55          HG23      THR  55  77.333  -3.682  82.925
  835    H    GLU  56           HN       GLU  56  73.973  -2.913  86.160
  836    HA   GLU  56           HA       GLU  56  74.504  -0.411  84.650
  837    HB2  GLU  56           HB2      GLU  56  72.446   0.329  86.156
  838    HB3  GLU  56           HB1      GLU  56  72.188  -0.575  84.664
  839    HG2  GLU  56           HG2      GLU  56  72.075  -2.669  85.903
  840    HG3  GLU  56           HG1      GLU  56  72.428  -1.826  87.410
  841    H1   MET   1           HT1      MET   1  41.620 -35.187  78.525
  842    H2   MET   1           HT2      MET   1  43.179 -35.447  77.903
  843    H3   MET   1           HT3      MET   1  42.504 -33.888  77.890
  844    HA   MET   1           HA       MET   1  43.049 -35.415  80.362
  845    HB2  MET   1           HB2      MET   1  45.259 -34.918  80.116
  846    HB3  MET   1           HB1      MET   1  44.912 -34.256  78.529
  847    HG2  MET   1           HG2      MET   1  44.274 -32.068  79.860
  848    HG3  MET   1           HG1      MET   1  45.198 -32.815  81.162
  849    HE1  MET   1           HE1      MET   1  46.309 -32.787  76.969
  850    HE2  MET   1           HE2      MET   1  46.173 -31.059  77.253
  851    HE3  MET   1           HE3      MET   1  44.820 -32.114  77.636
  852    H    GLN   2           HN       GLN   2  43.373 -33.563  82.141
  853    HA   GLN   2           HA       GLN   2  41.221 -31.538  81.780
  854    HB2  GLN   2           HB2      GLN   2  41.837 -33.251  84.203
  855    HB3  GLN   2           HB1      GLN   2  40.741 -31.872  84.219
  856    HG2  GLN   2           HG2      GLN   2  39.280 -32.942  82.605
  857    HG3  GLN   2           HG1      GLN   2  40.422 -34.270  82.396
  858   HE21  GLN   2          HE21      GLN   2  40.821 -33.897  85.630
  859   HE22  GLN   2          HE22      GLN   2  39.535 -34.828  86.230
  860    H    TYR   3           HN       TYR   3  41.649 -29.503  82.513
  861    HA   TYR   3           HA       TYR   3  44.234 -29.067  83.897
  862    HB2  TYR   3           HB2      TYR   3  42.934 -26.817  82.409
  863    HB3  TYR   3           HB1      TYR   3  44.642 -27.129  82.726
  864    HD1  TYR   3           HD1      TYR   3  41.718 -28.631  80.938
  865    HD2  TYR   3           HD2      TYR   3  45.956 -27.924  80.960
  866    HE1  TYR   3           HE1      TYR   3  41.901 -29.650  78.694
  867    HE2  TYR   3           HE2      TYR   3  46.135 -28.944  78.707
  868    HH   TYR   3           HH       TYR   3  43.265 -29.838  76.870
  869    H    LYS   4           HN       LYS   4  44.245 -27.324  85.421
  870    HA   LYS   4           HA       LYS   4  41.561 -26.848  86.619
  871    HB2  LYS   4           HB2      LYS   4  42.784 -28.339  88.025
  872    HB3  LYS   4           HB1      LYS   4  44.255 -27.389  87.872
  873    HG2  LYS   4           HG2      LYS   4  43.247 -25.563  89.169
  874    HG3  LYS   4           HG1      LYS   4  41.719 -26.437  89.258
  875    HD2  LYS   4           HD2      LYS   4  44.222 -27.816  90.234
  876    HD3  LYS   4           HD1      LYS   4  43.497 -26.577  91.253
  877    HE2  LYS   4           HE2      LYS   4  41.779 -28.760  90.100
  878    HE3  LYS   4           HE1      LYS   4  42.729 -29.048  91.559
  879    HZ1  LYS   4           HZ1      LYS   4  41.665 -26.715  92.166
  880    HZ2  LYS   4           HZ2      LYS   4  40.899 -28.189  92.520
  881    HZ3  LYS   4           HZ3      LYS   4  40.441 -27.298  91.149
  882    H    LEU   5           HN       LEU   5  40.939 -24.759  86.796
  883    HA   LEU   5           HA       LEU   5  43.009 -22.658  86.528
  884    HB2  LEU   5           HB2      LEU   5  41.265 -22.537  84.830
  885    HB3  LEU   5           HB1      LEU   5  40.024 -22.589  86.053
  886    HG   LEU   5           HG       LEU   5  40.667 -20.310  84.902
  887   HD11  LEU   5          HD11      LEU   5  40.215 -20.507  87.877
  888   HD12  LEU   5          HD12      LEU   5  38.988 -20.456  86.616
  889   HD13  LEU   5          HD13      LEU   5  40.009 -19.055  86.908
  890   HD21  LEU   5          HD21      LEU   5  42.560 -20.032  87.213
  891   HD22  LEU   5          HD22      LEU   5  42.368 -19.009  85.805
  892   HD23  LEU   5          HD23      LEU   5  43.132 -20.574  85.646
  893    H    ILE   6           HN       ILE   6  43.490 -21.411  88.246
  894    HA   ILE   6           HA       ILE   6  41.905 -21.765  90.717
  895    HB   ILE   6           HB       ILE   6  44.542 -20.319  90.393
  896   HG12  ILE   6          HG12      ILE   6  44.799 -22.651  89.643
  897   HG13  ILE   6          HG11      ILE   6  45.624 -22.391  91.176
  898   HG21  ILE   6          HG21      ILE   6  43.089 -21.483  92.776
  899   HG22  ILE   6          HG22      ILE   6  43.277 -19.771  92.396
  900   HG23  ILE   6          HG23      ILE   6  44.687 -20.739  92.828
  901   HD11  ILE   6          HD11      ILE   6  43.000 -23.804  90.683
  902   HD12  ILE   6          HD12      ILE   6  43.508 -23.301  92.293
  903   HD13  ILE   6          HD13      ILE   6  44.474 -24.460  91.387
  904    H    LEU   7           HN       LEU   7  40.709 -20.186  91.494
  905    HA   LEU   7           HA       LEU   7  40.530 -17.697  89.963
  906    HB2  LEU   7           HB2      LEU   7  38.818 -19.000  92.077
  907    HB3  LEU   7           HB1      LEU   7  38.596 -17.309  91.651
  908    HG   LEU   7           HG       LEU   7  38.586 -18.425  89.143
  909   HD11  LEU   7          HD11      LEU   7  37.159 -20.436  90.890
  910   HD12  LEU   7          HD12      LEU   7  38.768 -20.715  90.224
  911   HD13  LEU   7          HD13      LEU   7  37.391 -20.498  89.143
  912   HD21  LEU   7          HD21      LEU   7  36.893 -16.905  90.096
  913   HD22  LEU   7          HD22      LEU   7  36.219 -18.241  91.025
  914   HD23  LEU   7          HD23      LEU   7  36.137 -18.263  89.264
  915    H    ASN   8           HN       ASN   8  41.820 -16.129  90.514
  916    HA   ASN   8           HA       ASN   8  42.066 -15.385  93.349
  917    HB2  ASN   8           HB2      ASN   8  44.461 -14.639  92.579
  918    HB3  ASN   8           HB1      ASN   8  44.184 -16.317  93.040
  919   HD21  ASN   8          HD21      ASN   8  45.774 -14.598  90.748
  920   HD22  ASN   8          HD22      ASN   8  45.637 -15.657  89.429
  921    H    GLY   9           HN       GLY   9  40.418 -13.876  92.858
  922    HA2  GLY   9           HA2      GLY   9  41.255 -11.647  91.077
  923    HA3  GLY   9           HA1      GLY   9  39.585 -12.174  91.240
  924    H    LYS  10           HN       LYS  10  39.067  -9.997  91.841
  925    HA   LYS  10           HA       LYS  10  40.214  -8.817  94.157
  926    HB2  LYS  10           HB2      LYS  10  37.470  -8.117  93.106
  927    HB3  LYS  10           HB1      LYS  10  38.649  -7.066  93.892
  928    HG2  LYS  10           HG2      LYS  10  40.179  -7.663  91.849
  929    HG3  LYS  10           HG1      LYS  10  38.672  -8.158  91.078
  930    HD2  LYS  10           HD2      LYS  10  37.729  -5.896  91.585
  931    HD3  LYS  10           HD1      LYS  10  39.307  -5.418  92.210
  932    HE2  LYS  10           HE2      LYS  10  40.286  -6.067  89.967
  933    HE3  LYS  10           HE1      LYS  10  38.634  -6.258  89.379
  934    HZ1  LYS  10           HZ1      LYS  10  40.067  -3.935  89.437
  935    HZ2  LYS  10           HZ2      LYS  10  39.012  -3.787  90.760
  936    HZ3  LYS  10           HZ3      LYS  10  38.393  -4.071  89.204
  937    H    THR  11           HN       THR  11  37.041 -10.527  93.699
  938    HA   THR  11           HA       THR  11  37.174 -11.241  96.568
  939    HB   THR  11           HB       THR  11  34.646 -10.985  96.582
  940    HG1  THR  11           HG1      THR  11  34.752  -9.082  94.649
  941   HG21  THR  11          HG21      THR  11  34.833  -8.505  96.868
  942   HG22  THR  11          HG22      THR  11  36.458  -8.596  96.188
  943   HG23  THR  11          HG23      THR  11  36.090  -9.410  97.707
  944    H    LEU  12           HN       LEU  12  36.817 -12.272  93.356
  945    HA   LEU  12           HA       LEU  12  35.274 -14.636  94.023
  946    HB2  LEU  12           HB2      LEU  12  35.670 -13.112  91.699
  947    HB3  LEU  12           HB1      LEU  12  36.542 -14.602  91.362
  948    HG   LEU  12           HG       LEU  12  33.622 -14.286  92.090
  949   HD11  LEU  12          HD11      LEU  12  33.279 -15.389  89.923
  950   HD12  LEU  12          HD12      LEU  12  35.023 -15.563  89.729
  951   HD13  LEU  12          HD13      LEU  12  34.291 -13.959  89.721
  952   HD21  LEU  12          HD21      LEU  12  35.447 -16.593  92.502
  953   HD22  LEU  12          HD22      LEU  12  33.984 -16.984  91.607
  954   HD23  LEU  12          HD23      LEU  12  33.866 -16.264  93.205
  955    H    LYS  13           HN       LYS  13  36.284 -16.286  95.044
  956    HA   LYS  13           HA       LYS  13  38.877 -17.182  93.975
  957    HB2  LYS  13           HB2      LYS  13  38.301 -16.581  96.885
  958    HB3  LYS  13           HB1      LYS  13  39.603 -17.650  96.380
  959    HG2  LYS  13           HG2      LYS  13  40.881 -15.752  96.311
  960    HG3  LYS  13           HG1      LYS  13  40.087 -15.449  94.772
  961    HD2  LYS  13           HD2      LYS  13  38.229 -14.336  96.357
  962    HD3  LYS  13           HD1      LYS  13  39.603 -14.174  97.451
  963    HE2  LYS  13           HE2      LYS  13  39.614 -12.168  96.190
  964    HE3  LYS  13           HE1      LYS  13  40.849 -13.166  95.420
  965    HZ1  LYS  13           HZ1      LYS  13  38.139 -13.498  94.434
  966    HZ2  LYS  13           HZ2      LYS  13  39.605 -13.450  93.583
  967    HZ3  LYS  13           HZ3      LYS  13  38.866 -12.008  94.087
  968    H    GLY  14           HN       GLY  14  39.122 -19.290  93.833
  969    HA2  GLY  14           HA2      GLY  14  38.057 -21.321  95.381
  970    HA3  GLY  14           HA1      GLY  14  36.877 -21.020  94.105
  971    H    GLU  15           HN       GLU  15  37.334 -23.152  93.174
  972    HA   GLU  15           HA       GLU  15  39.856 -23.228  91.609
  973    HB2  GLU  15           HB2      GLU  15  38.347 -25.633  92.643
  974    HB3  GLU  15           HB1      GLU  15  39.874 -25.623  91.761
  975    HG2  GLU  15           HG2      GLU  15  39.492 -24.245  94.409
  976    HG3  GLU  15           HG1      GLU  15  40.065 -25.901  94.259
  977    H    THR  16           HN       THR  16  39.648 -24.332  89.536
  978    HA   THR  16           HA       THR  16  36.934 -24.888  88.601
  979    HB   THR  16           HB       THR  16  37.951 -23.327  86.510
  980    HG1  THR  16           HG1      THR  16  39.498 -22.407  87.780
  981   HG21  THR  16          HG21      THR  16  36.214 -21.708  87.208
  982   HG22  THR  16          HG22      THR  16  36.034 -22.601  88.719
  983   HG23  THR  16          HG23      THR  16  35.633 -23.373  87.184
  984    H    THR  17           HN       THR  17  36.878 -26.166  86.722
  985    HA   THR  17           HA       THR  17  39.456 -27.032  85.620
  986    HB   THR  17           HB       THR  17  37.546 -29.157  86.554
  987    HG1  THR  17           HG1      THR  17  38.271 -27.588  88.258
  988   HG21  THR  17          HG21      THR  17  40.556 -29.201  86.447
  989   HG22  THR  17          HG22      THR  17  39.587 -29.515  85.007
  990   HG23  THR  17          HG23      THR  17  39.436 -30.556  86.411
  991    H    THR  18           HN       THR  18  39.259 -28.382  83.731
  992    HA   THR  18           HA       THR  18  36.672 -28.629  82.468
  993    HB   THR  18           HB       THR  18  37.568 -26.268  81.981
  994    HG1  THR  18           HG1      THR  18  36.810 -26.441  79.888
  995   HG21  THR  18          HG21      THR  18  39.354 -26.018  80.472
  996   HG22  THR  18          HG22      THR  18  39.316 -27.716  80.004
  997   HG23  THR  18          HG23      THR  18  39.936 -27.253  81.587
  998    H    GLU  19           HN       GLU  19  36.730 -30.042  80.679
  999    HA   GLU  19           HA       GLU  19  39.115 -31.798  80.558
 1000    HB2  GLU  19           HB2      GLU  19  36.944 -32.829  81.224
 1001    HB3  GLU  19           HB1      GLU  19  36.242 -32.292  79.702
 1002    HG2  GLU  19           HG2      GLU  19  36.844 -34.535  79.288
 1003    HG3  GLU  19           HG1      GLU  19  38.162 -33.621  78.567
 1004    H    ALA  20           HN       ALA  20  40.399 -31.411  78.832
 1005    HA   ALA  20           HA       ALA  20  39.202 -31.067  76.190
 1006    HB1  ALA  20           HB1      ALA  20  39.963 -28.800  77.673
 1007    HB2  ALA  20           HB2      ALA  20  39.625 -28.850  75.948
 1008    HB3  ALA  20           HB3      ALA  20  41.280 -29.031  76.525
 1009    H    VAL  21           HN       VAL  21  40.803 -31.110  74.466
 1010    HA   VAL  21           HA       VAL  21  42.874 -33.070  74.991
 1011    HB   VAL  21           HB       VAL  21  41.784 -33.505  72.962
 1012   HG11  VAL  21          HG11      VAL  21  41.760 -30.501  72.596
 1013   HG12  VAL  21          HG12      VAL  21  40.381 -31.577  72.799
 1014   HG13  VAL  21          HG13      VAL  21  41.320 -31.619  71.309
 1015   HG21  VAL  21          HG21      VAL  21  43.383 -33.177  71.242
 1016   HG22  VAL  21          HG22      VAL  21  44.340 -33.138  72.722
 1017   HG23  VAL  21          HG23      VAL  21  43.915 -31.632  71.908
 1018    H    ASP  22           HN       ASP  22  42.502 -29.715  73.988
 1019    HA   ASP  22           HA       ASP  22  45.441 -29.334  74.226
 1020    HB2  ASP  22           HB2      ASP  22  44.445 -28.860  72.002
 1021    HB3  ASP  22           HB1      ASP  22  43.457 -27.609  72.751
 1022    H    ALA  23           HN       ALA  23  46.236 -27.426  75.113
 1023    HA   ALA  23           HA       ALA  23  44.856 -26.578  77.483
 1024    HB1  ALA  23           HB1      ALA  23  47.190 -26.717  77.701
 1025    HB2  ALA  23           HB2      ALA  23  46.875 -24.985  77.587
 1026    HB3  ALA  23           HB3      ALA  23  47.473 -25.866  76.183
 1027    H    ALA  24           HN       ALA  24  45.839 -24.999  74.449
 1028    HA   ALA  24           HA       ALA  24  44.867 -22.432  75.028
 1029    HB1  ALA  24           HB1      ALA  24  44.824 -23.661  72.264
 1030    HB2  ALA  24           HB2      ALA  24  46.322 -23.148  73.040
 1031    HB3  ALA  24           HB3      ALA  24  45.057 -21.968  72.698
 1032    H    THR  25           HN       THR  25  43.095 -25.340  73.690
 1033    HA   THR  25           HA       THR  25  40.682 -23.907  73.155
 1034    HB   THR  25           HB       THR  25  41.544 -26.317  72.358
 1035    HG1  THR  25           HG1      THR  25  39.803 -25.361  71.451
 1036   HG21  THR  25          HG21      THR  25  41.140 -27.146  74.841
 1037   HG22  THR  25          HG22      THR  25  40.661 -28.171  73.490
 1038   HG23  THR  25          HG23      THR  25  39.452 -27.204  74.332
 1039    H    ALA  26           HN       ALA  26  42.067 -25.459  75.978
 1040    HA   ALA  26           HA       ALA  26  39.682 -25.606  77.528
 1041    HB1  ALA  26           HB1      ALA  26  42.621 -25.782  78.152
 1042    HB2  ALA  26           HB2      ALA  26  41.384 -27.032  78.279
 1043    HB3  ALA  26           HB3      ALA  26  41.439 -25.723  79.457
 1044    H    GLU  27           HN       GLU  27  42.162 -23.210  77.071
 1045    HA   GLU  27           HA       GLU  27  41.487 -21.462  79.176
 1046    HB2  GLU  27           HB2      GLU  27  43.270 -20.279  78.383
 1047    HB3  GLU  27           HB1      GLU  27  43.457 -21.571  77.203
 1048    HG2  GLU  27           HG2      GLU  27  41.885 -20.306  75.683
 1049    HG3  GLU  27           HG1      GLU  27  41.927 -18.978  76.836
 1050    H    LYS  28           HN       LYS  28  40.166 -21.933  75.973
 1051    HA   LYS  28           HA       LYS  28  38.825 -19.504  75.636
 1052    HB2  LYS  28           HB2      LYS  28  37.949 -22.285  74.799
 1053    HB3  LYS  28           HB1      LYS  28  37.254 -20.782  74.194
 1054    HG2  LYS  28           HG2      LYS  28  39.581 -20.118  73.452
 1055    HG3  LYS  28           HG1      LYS  28  40.098 -21.755  73.850
 1056    HD2  LYS  28           HD2      LYS  28  38.335 -22.637  72.283
 1057    HD3  LYS  28           HD1      LYS  28  37.980 -20.976  71.811
 1058    HE2  LYS  28           HE2      LYS  28  40.077 -20.688  70.756
 1059    HE3  LYS  28           HE1      LYS  28  40.819 -22.011  71.644
 1060    HZ1  LYS  28           HZ1      LYS  28  38.635 -22.994  69.983
 1061    HZ2  LYS  28           HZ2      LYS  28  40.260 -23.485  69.981
 1062    HZ3  LYS  28           HZ3      LYS  28  39.772 -22.165  69.031
 1063    H    VAL  29           HN       VAL  29  37.907 -22.436  77.368
 1064    HA   VAL  29           HA       VAL  29  35.324 -21.485  78.132
 1065    HB   VAL  29           HB       VAL  29  36.969 -23.579  79.559
 1066   HG11  VAL  29          HG11      VAL  29  33.983 -23.227  79.149
 1067   HG12  VAL  29          HG12      VAL  29  34.856 -22.821  80.627
 1068   HG13  VAL  29          HG13      VAL  29  34.757 -24.499  80.092
 1069   HG21  VAL  29          HG21      VAL  29  35.794 -25.174  77.980
 1070   HG22  VAL  29          HG22      VAL  29  37.024 -24.166  77.217
 1071   HG23  VAL  29          HG23      VAL  29  35.315 -23.772  77.024
 1072    H    PHE  30           HN       PHE  30  38.415 -21.806  79.895
 1073    HA   PHE  30           HA       PHE  30  37.585 -20.637  82.298
 1074    HB2  PHE  30           HB2      PHE  30  40.324 -20.762  81.062
 1075    HB3  PHE  30           HB1      PHE  30  40.009 -20.254  82.709
 1076    HD1  PHE  30           HD2      PHE  30  38.109 -22.109  83.840
 1077    HD2  PHE  30           HD1      PHE  30  41.251 -22.897  81.002
 1078    HE1  PHE  30           HE2      PHE  30  38.174 -24.472  84.547
 1079    HE2  PHE  30           HE1      PHE  30  41.317 -25.254  81.748
 1080    HZ   PHE  30           HZ       PHE  30  39.780 -26.036  83.526
 1081    H    LYS  31           HN       LYS  31  39.190 -19.101  79.483
 1082    HA   LYS  31           HA       LYS  31  39.306 -16.545  80.754
 1083    HB2  LYS  31           HB2      LYS  31  39.652 -17.481  77.912
 1084    HB3  LYS  31           HB1      LYS  31  39.540 -15.757  78.258
 1085    HG2  LYS  31           HG2      LYS  31  41.396 -16.129  79.994
 1086    HG3  LYS  31           HG1      LYS  31  41.614 -17.721  79.264
 1087    HD2  LYS  31           HD2      LYS  31  42.070 -16.698  77.098
 1088    HD3  LYS  31           HD1      LYS  31  41.733 -15.100  77.751
 1089    HE2  LYS  31           HE2      LYS  31  43.632 -15.229  79.232
 1090    HE3  LYS  31           HE1      LYS  31  43.911 -16.918  78.800
 1091    HZ1  LYS  31           HZ1      LYS  31  43.810 -15.501  76.430
 1092    HZ2  LYS  31           HZ2      LYS  31  45.177 -16.202  77.153
 1093    HZ3  LYS  31           HZ3      LYS  31  44.780 -14.582  77.473
 1094    H    GLN  32           HN       GLN  32  37.053 -17.989  78.407
 1095    HA   GLN  32           HA       GLN  32  35.359 -15.726  78.208
 1096    HB2  GLN  32           HB2      GLN  32  35.379 -17.662  76.634
 1097    HB3  GLN  32           HB1      GLN  32  34.642 -18.647  77.898
 1098    HG2  GLN  32           HG2      GLN  32  32.703 -17.165  77.976
 1099    HG3  GLN  32           HG1      GLN  32  33.447 -16.090  76.793
 1100   HE21  GLN  32          HE21      GLN  32  31.150 -18.558  77.040
 1101   HE22  GLN  32          HE22      GLN  32  31.232 -19.162  75.456
 1102    H    TYR  33           HN       TYR  33  35.609 -18.415  80.413
 1103    HA   TYR  33           HA       TYR  33  33.152 -18.064  81.788
 1104    HB2  TYR  33           HB2      TYR  33  34.242 -20.163  81.924
 1105    HB3  TYR  33           HB1      TYR  33  35.767 -19.406  82.371
 1106    HD1  TYR  33           HD2      TYR  33  32.431 -20.382  83.521
 1107    HD2  TYR  33           HD1      TYR  33  36.186 -18.610  84.621
 1108    HE1  TYR  33           HE2      TYR  33  31.851 -20.643  85.916
 1109    HE2  TYR  33           HE1      TYR  33  35.607 -18.877  87.019
 1110    HH   TYR  33           HH       TYR  33  33.107 -20.845  88.093
 1111    H    ALA  34           HN       ALA  34  36.445 -16.883  82.226
 1112    HA   ALA  34           HA       ALA  34  36.194 -15.764  84.781
 1113    HB1  ALA  34           HB1      ALA  34  38.397 -15.825  84.028
 1114    HB2  ALA  34           HB2      ALA  34  38.013 -14.126  83.761
 1115    HB3  ALA  34           HB3      ALA  34  37.967 -15.261  82.416
 1116    H    ASN  35           HN       ASN  35  35.288 -14.435  81.544
 1117    HA   ASN  35           HA       ASN  35  34.734 -11.821  82.458
 1118    HB2  ASN  35           HB2      ASN  35  34.909 -12.941  80.019
 1119    HB3  ASN  35           HB1      ASN  35  33.157 -12.990  80.197
 1120   HD21  ASN  35          HD21      ASN  35  32.089 -11.031  79.530
 1121   HD22  ASN  35          HD22      ASN  35  32.845  -9.513  79.467
 1122    H    ASP  36           HN       ASP  36  32.721 -14.731  82.027
 1123    HA   ASP  36           HA       ASP  36  30.284 -13.571  82.900
 1124    HB2  ASP  36           HB2      ASP  36  30.928 -16.496  83.202
 1125    HB3  ASP  36           HB1      ASP  36  29.401 -15.734  82.751
 1126    H    ASN  37           HN       ASN  37  33.068 -14.768  84.597
 1127    HA   ASN  37           HA       ASN  37  31.614 -15.141  87.096
 1128    HB2  ASN  37           HB2      ASN  37  34.178 -15.904  85.930
 1129    HB3  ASN  37           HB1      ASN  37  34.371 -15.332  87.573
 1130   HD21  ASN  37          HD21      ASN  37  34.406 -17.141  88.924
 1131   HD22  ASN  37          HD22      ASN  37  33.340 -18.457  88.802
 1132    H    GLY  38           HN       GLY  38  33.605 -12.641  85.591
 1133    HA2  GLY  38           HA2      GLY  38  33.348 -10.367  86.332
 1134    HA3  GLY  38           HA1      GLY  38  33.148 -10.947  87.977
 1135    H    VAL  39           HN       VAL  39  35.618 -12.825  87.204
 1136    HA   VAL  39           HA       VAL  39  37.624 -10.790  88.003
 1137    HB   VAL  39           HB       VAL  39  37.633 -12.465  89.640
 1138   HG11  VAL  39          HG11      VAL  39  36.159 -14.039  88.390
 1139   HG12  VAL  39          HG12      VAL  39  37.492 -14.844  89.203
 1140   HG13  VAL  39          HG13      VAL  39  37.559 -14.565  87.465
 1141   HG21  VAL  39          HG21      VAL  39  39.738 -13.610  89.441
 1142   HG22  VAL  39          HG22      VAL  39  39.913 -12.076  88.596
 1143   HG23  VAL  39          HG23      VAL  39  39.667 -13.557  87.684
 1144    H    ASP  40           HN       ASP  40  38.674  -9.961  86.313
 1145    HA   ASP  40           HA       ASP  40  39.819 -11.824  84.308
 1146    HB2  ASP  40           HB2      ASP  40  38.847 -10.703  82.581
 1147    HB3  ASP  40           HB1      ASP  40  37.854  -9.886  83.776
 1148    H    GLY  41           HN       GLY  41  42.015 -11.875  84.707
 1149    HA2  GLY  41           HA2      GLY  41  43.384  -9.268  85.018
 1150    HA3  GLY  41           HA1      GLY  41  43.649 -10.516  86.219
 1151    H    GLU  42           HN       GLU  42  45.944 -10.608  85.708
 1152    HA   GLU  42           HA       GLU  42  46.798 -11.171  83.058
 1153    HB2  GLU  42           HB2      GLU  42  48.491 -11.754  85.458
 1154    HB3  GLU  42           HB1      GLU  42  48.953 -11.068  83.902
 1155    HG2  GLU  42           HG2      GLU  42  47.430  -9.686  86.128
 1156    HG3  GLU  42           HG1      GLU  42  49.041  -9.293  85.539
 1157    H    TRP  43           HN       TRP  43  47.637 -13.183  82.314
 1158    HA   TRP  43           HA       TRP  43  46.603 -15.544  83.793
 1159    HB2  TRP  43           HB2      TRP  43  46.616 -14.952  80.843
 1160    HB3  TRP  43           HB1      TRP  43  46.197 -16.515  81.539
 1161    HD1  TRP  43           HD1      TRP  43  44.879 -12.876  81.363
 1162    HE1  TRP  43           HE1      TRP  43  42.367 -12.940  81.954
 1163    HE3  TRP  43           HE3      TRP  43  44.451 -17.753  82.656
 1164    HZ2  TRP  43           HZ2      TRP  43  40.424 -14.852  82.842
 1165    HZ3  TRP  43           HZ3      TRP  43  42.288 -18.686  83.352
 1166    HH2  TRP  43           HH2      TRP  43  40.268 -17.255  83.450
 1167    H    THR  44           HN       THR  44  47.686 -17.269  83.835
 1168    HA   THR  44           HA       THR  44  50.129 -17.621  82.288
 1169    HB   THR  44           HB       THR  44  50.866 -16.991  84.464
 1170    HG1  THR  44           HG1      THR  44  51.487 -19.137  83.403
 1171   HG21  THR  44          HG21      THR  44  48.815 -17.174  85.679
 1172   HG22  THR  44          HG22      THR  44  49.981 -18.245  86.457
 1173   HG23  THR  44          HG23      THR  44  48.744 -18.914  85.394
 1174    H    TYR  45           HN       TYR  45  50.680 -20.070  81.975
 1175    HA   TYR  45           HA       TYR  45  48.354 -21.711  82.728
 1176    HB2  TYR  45           HB2      TYR  45  47.734 -21.251  80.505
 1177    HB3  TYR  45           HB1      TYR  45  49.391 -21.414  79.926
 1178    HD1  TYR  45           HD1      TYR  45  47.240 -23.572  82.171
 1179    HD2  TYR  45           HD2      TYR  45  49.610 -23.326  78.594
 1180    HE1  TYR  45           HE1      TYR  45  46.971 -25.999  81.829
 1181    HE2  TYR  45           HE2      TYR  45  49.317 -25.758  78.246
 1182    HH   TYR  45           HH       TYR  45  48.287 -27.842  80.612
 1183    H    ASP  46           HN       ASP  46  49.053 -23.329  83.870
 1184    HA   ASP  46           HA       ASP  46  51.780 -24.189  83.384
 1185    HB2  ASP  46           HB2      ASP  46  50.807 -24.078  85.839
 1186    HB3  ASP  46           HB1      ASP  46  49.948 -25.545  85.373
 1187    H    ASP  47           HN       ASP  47  52.127 -25.486  81.731
 1188    HA   ASP  47           HA       ASP  47  50.013 -27.464  81.054
 1189    HB2  ASP  47           HB2      ASP  47  51.376 -25.971  79.314
 1190    HB3  ASP  47           HB1      ASP  47  52.576 -27.251  79.511
 1191    H    ALA  48           HN       ALA  48  52.788 -26.926  82.702
 1192    HA   ALA  48           HA       ALA  48  54.123 -29.409  82.563
 1193    HB1  ALA  48           HB1      ALA  48  54.756 -26.913  83.345
 1194    HB2  ALA  48           HB2      ALA  48  55.610 -28.320  83.976
 1195    HB3  ALA  48           HB3      ALA  48  54.326 -27.573  84.923
 1196    H    THR  49           HN       THR  49  51.461 -28.129  84.479
 1197    HA   THR  49           HA       THR  49  50.995 -30.710  85.816
 1198    HB   THR  49           HB       THR  49  50.019 -29.138  87.720
 1199    HG1  THR  49           HG1      THR  49  50.404 -27.222  86.544
 1200   HG21  THR  49          HG21      THR  49  52.285 -29.037  88.794
 1201   HG22  THR  49          HG22      THR  49  52.964 -29.615  87.272
 1202   HG23  THR  49          HG23      THR  49  51.838 -30.627  88.177
 1203    H    LYS  50           HN       LYS  50  49.934 -28.537  83.558
 1204    HA   LYS  50           HA       LYS  50  47.896 -28.057  82.613
 1205    HB2  LYS  50           HB2      LYS  50  46.700 -30.274  84.270
 1206    HB3  LYS  50           HB1      LYS  50  46.221 -29.718  82.668
 1207    HG2  LYS  50           HG2      LYS  50  48.833 -31.124  83.321
 1208    HG3  LYS  50           HG1      LYS  50  47.437 -31.874  82.556
 1209    HD2  LYS  50           HD2      LYS  50  47.616 -30.226  80.691
 1210    HD3  LYS  50           HD1      LYS  50  49.077 -29.583  81.436
 1211    HE2  LYS  50           HE2      LYS  50  50.268 -31.609  81.126
 1212    HE3  LYS  50           HE1      LYS  50  48.799 -32.504  80.738
 1213    HZ1  LYS  50           HZ1      LYS  50  48.768 -30.514  78.925
 1214    HZ2  LYS  50           HZ2      LYS  50  49.366 -32.077  78.634
 1215    HZ3  LYS  50           HZ3      LYS  50  50.431 -30.823  79.059
 1216    H    THR  51           HN       THR  51  48.546 -26.346  84.572
 1217    HA   THR  51           HA       THR  51  45.946 -25.916  85.942
 1218    HB   THR  51           HB       THR  51  48.675 -25.642  87.241
 1219    HG1  THR  51           HG1      THR  51  48.051 -27.319  88.384
 1220   HG21  THR  51          HG21      THR  51  47.420 -23.721  87.936
 1221   HG22  THR  51          HG22      THR  51  47.274 -24.901  89.238
 1222   HG23  THR  51          HG23      THR  51  45.943 -24.670  88.105
 1223    H    PHE  52           HN       PHE  52  45.063 -23.921  85.534
 1224    HA   PHE  52           HA       PHE  52  46.771 -21.798  84.383
 1225    HB2  PHE  52           HB2      PHE  52  43.800 -22.325  84.382
 1226    HB3  PHE  52           HB1      PHE  52  44.510 -20.836  83.771
 1227    HD1  PHE  52           HD2      PHE  52  44.319 -24.523  83.295
 1228    HD2  PHE  52           HD1      PHE  52  45.516 -20.747  81.628
 1229    HE1  PHE  52           HE2      PHE  52  44.572 -25.572  81.054
 1230    HE2  PHE  52           HE1      PHE  52  45.752 -21.805  79.400
 1231    HZ   PHE  52           HZ       PHE  52  45.279 -24.216  79.117
 1232    H    THR  53           HN       THR  53  46.451 -19.565  85.237
 1233    HA   THR  53           HA       THR  53  44.796 -19.335  87.640
 1234    HB   THR  53           HB       THR  53  46.536 -18.461  89.082
 1235    HG1  THR  53           HG1      THR  53  47.929 -17.564  87.653
 1236   HG21  THR  53          HG21      THR  53  46.166 -20.967  88.939
 1237   HG22  THR  53          HG22      THR  53  47.722 -20.477  89.585
 1238   HG23  THR  53          HG23      THR  53  47.594 -21.045  87.921
 1239    H    VAL  54           HN       VAL  54  43.736 -17.316  87.618
 1240    HA   VAL  54           HA       VAL  54  44.954 -15.210  85.924
 1241    HB   VAL  54           HB       VAL  54  42.788 -16.053  85.083
 1242   HG11  VAL  54          HG11      VAL  54  40.770 -15.766  86.335
 1243   HG12  VAL  54          HG12      VAL  54  41.595 -14.814  87.567
 1244   HG13  VAL  54          HG13      VAL  54  41.917 -16.541  87.429
 1245   HG21  VAL  54          HG21      VAL  54  41.788 -13.831  84.762
 1246   HG22  VAL  54          HG22      VAL  54  43.545 -13.697  84.695
 1247   HG23  VAL  54          HG23      VAL  54  42.679 -13.206  86.150
 1248    H    THR  55           HN       THR  55  45.606 -13.378  86.897
 1249    HA   THR  55           HA       THR  55  44.549 -12.715  89.592
 1250    HB   THR  55           HB       THR  55  46.983 -13.672  89.350
 1251    HG1  THR  55           HG1      THR  55  46.081 -12.734  91.228
 1252   HG21  THR  55          HG21      THR  55  48.680 -12.082  88.822
 1253   HG22  THR  55          HG22      THR  55  47.543 -10.751  88.780
 1254   HG23  THR  55          HG23      THR  55  47.520 -11.978  87.515
 1255    H    GLU  56           HN       GLU  56  43.563 -10.733  89.709
 1256    HA   GLU  56           HA       GLU  56  44.316  -8.677  87.698
 1257    HB2  GLU  56           HB2      GLU  56  41.956  -7.760  88.496
 1258    HB3  GLU  56           HB1      GLU  56  42.061  -9.037  87.283
 1259    HG2  GLU  56           HG2      GLU  56  41.746 -10.743  88.991
 1260    HG3  GLU  56           HG1      GLU  56  41.738  -9.513  90.254
 1261    H1   MET   1           HT1      MET   1  64.185 -16.761  99.290
 1262    H2   MET   1           HT2      MET   1  62.549 -16.723  98.841
 1263    H3   MET   1           HT3      MET   1  63.285 -18.198  99.242
 1264    HA   MET   1           HA       MET   1  62.997 -15.947 101.129
 1265    HB2  MET   1           HB2      MET   1  60.822 -16.515 101.414
 1266    HB3  MET   1           HB1      MET   1  60.961 -17.607 100.060
 1267    HG2  MET   1           HG2      MET   1  61.907 -19.318 101.812
 1268    HG3  MET   1           HG1      MET   1  61.211 -18.224 103.007
 1269    HE1  MET   1           HE1      MET   1  59.323 -19.284  99.319
 1270    HE2  MET   1           HE2      MET   1  59.524 -20.914  99.920
 1271    HE3  MET   1           HE3      MET   1  60.924 -19.860  99.787
 1272    H    GLN   2           HN       GLN   2  63.027 -17.037 103.400
 1273    HA   GLN   2           HA       GLN   2  65.206 -19.048 103.435
 1274    HB2  GLN   2           HB2      GLN   2  64.881 -16.564 105.131
 1275    HB3  GLN   2           HB1      GLN   2  66.041 -17.845 105.474
 1276    HG2  GLN   2           HG2      GLN   2  67.177 -17.465 103.369
 1277    HG3  GLN   2           HG1      GLN   2  65.938 -16.319 102.858
 1278   HE21  GLN   2          HE21      GLN   2  66.026 -15.364 105.975
 1279   HE22  GLN   2          HE22      GLN   2  67.345 -14.297 105.965
 1280    H    TYR   3           HN       TYR   3  65.037 -20.679 104.867
 1281    HA   TYR   3           HA       TYR   3  62.767 -20.616 106.765
 1282    HB2  TYR   3           HB2      TYR   3  63.972 -23.224 105.906
 1283    HB3  TYR   3           HB1      TYR   3  62.333 -22.861 106.452
 1284    HD1  TYR   3           HD1      TYR   3  64.714 -22.017 103.689
 1285    HD2  TYR   3           HD2      TYR   3  60.636 -22.737 104.843
 1286    HE1  TYR   3           HE1      TYR   3  64.007 -21.807 101.328
 1287    HE2  TYR   3           HE2      TYR   3  59.932 -22.530 102.475
 1288    HH   TYR   3           HH       TYR   3  62.271 -22.314  99.878
 1289    H    LYS   4           HN       LYS   4  63.168 -21.661 108.786
 1290    HA   LYS   4           HA       LYS   4  66.057 -21.641 109.516
 1291    HB2  LYS   4           HB2      LYS   4  64.990 -19.746 110.498
 1292    HB3  LYS   4           HB1      LYS   4  63.598 -20.696 110.994
 1293    HG2  LYS   4           HG2      LYS   4  64.966 -21.901 112.638
 1294    HG3  LYS   4           HG1      LYS   4  66.410 -21.041 112.101
 1295    HD2  LYS   4           HD2      LYS   4  64.019 -19.419 112.980
 1296    HD3  LYS   4           HD1      LYS   4  65.007 -20.189 114.218
 1297    HE2  LYS   4           HE2      LYS   4  66.321 -18.576 112.045
 1298    HE3  LYS   4           HE1      LYS   4  65.622 -17.774 113.453
 1299    HZ1  LYS   4           HZ1      LYS   4  66.954 -19.709 114.650
 1300    HZ2  LYS   4           HZ2      LYS   4  67.653 -18.202 114.293
 1301    HZ3  LYS   4           HZ3      LYS   4  67.932 -19.534 113.275
 1302    H    LEU   5           HN       LEU   5  66.872 -23.501 110.310
 1303    HA   LEU   5           HA       LEU   5  64.977 -25.585 111.222
 1304    HB2  LEU   5           HB2      LEU   5  66.417 -26.281 109.379
 1305    HB3  LEU   5           HB1      LEU   5  67.836 -25.770 110.254
 1306    HG   LEU   5           HG       LEU   5  67.193 -28.322 110.123
 1307   HD11  LEU   5          HD11      LEU   5  68.134 -27.041 112.687
 1308   HD12  LEU   5          HD12      LEU   5  69.123 -27.554 111.325
 1309   HD13  LEU   5          HD13      LEU   5  68.271 -28.749 112.295
 1310   HD21  LEU   5          HD21      LEU   5  65.747 -27.749 112.690
 1311   HD22  LEU   5          HD22      LEU   5  65.785 -29.222 111.745
 1312   HD23  LEU   5          HD23      LEU   5  64.879 -27.840 111.167
 1313    H    ILE   6           HN       ILE   6  64.897 -26.104 113.331
 1314    HA   ILE   6           HA       ILE   6  66.852 -24.847 115.161
 1315    HB   ILE   6           HB       ILE   6  64.316 -26.333 115.884
 1316   HG12  ILE   6          HG12      ILE   6  63.753 -24.439 114.416
 1317   HG13  ILE   6          HG11      ILE   6  63.240 -24.119 116.070
 1318   HG21  ILE   6          HG21      ILE   6  66.058 -24.357 117.373
 1319   HG22  ILE   6          HG22      ILE   6  65.960 -26.094 117.669
 1320   HG23  ILE   6          HG23      ILE   6  64.564 -25.065 117.991
 1321   HD11  ILE   6          HD11      ILE   6  65.616 -22.982 114.596
 1322   HD12  ILE   6          HD12      ILE   6  65.459 -22.865 116.346
 1323   HD13  ILE   6          HD13      ILE   6  64.257 -22.116 115.302
 1324    H    LEU   7           HN       LEU   7  68.287 -26.014 116.206
 1325    HA   LEU   7           HA       LEU   7  68.384 -28.893 115.672
 1326    HB2  LEU   7           HB2      LEU   7  70.340 -26.888 116.791
 1327    HB3  LEU   7           HB1      LEU   7  70.615 -28.615 116.970
 1328    HG   LEU   7           HG       LEU   7  70.080 -28.500 114.278
 1329   HD11  LEU   7          HD11      LEU   7  71.653 -25.985 114.852
 1330   HD12  LEU   7          HD12      LEU   7  69.927 -25.970 114.489
 1331   HD13  LEU   7          HD13      LEU   7  71.075 -26.568 113.292
 1332   HD21  LEU   7          HD21      LEU   7  72.026 -29.560 115.354
 1333   HD22  LEU   7          HD22      LEU   7  72.756 -27.975 115.597
 1334   HD23  LEU   7          HD23      LEU   7  72.517 -28.595 113.964
 1335    H    ASN   8           HN       ASN   8  67.339 -30.153 116.983
 1336    HA   ASN   8           HA       ASN   8  67.641 -29.800 119.888
 1337    HB2  ASN   8           HB2      ASN   8  65.220 -30.787 119.913
 1338    HB3  ASN   8           HB1      ASN   8  65.437 -29.060 119.641
 1339   HD21  ASN   8          HD21      ASN   8  63.602 -31.522 118.525
 1340   HD22  ASN   8          HD22      ASN   8  63.437 -31.067 116.897
 1341    H    GLY   9           HN       GLY   9  69.292 -31.370 119.674
 1342    HA2  GLY   9           HA2      GLY   9  68.336 -34.105 119.007
 1343    HA3  GLY   9           HA1      GLY   9  69.963 -33.541 118.654
 1344    H    LYS  10           HN       LYS  10  70.735 -35.339 119.886
 1345    HA   LYS  10           HA       LYS  10  70.108 -35.587 122.647
 1346    HB2  LYS  10           HB2      LYS  10  72.659 -36.627 121.406
 1347    HB3  LYS  10           HB1      LYS  10  71.714 -37.317 122.727
 1348    HG2  LYS  10           HG2      LYS  10  69.805 -37.501 120.935
 1349    HG3  LYS  10           HG1      LYS  10  71.117 -37.329 119.769
 1350    HD2  LYS  10           HD2      LYS  10  72.278 -39.254 120.864
 1351    HD3  LYS  10           HD1      LYS  10  70.872 -39.460 121.909
 1352    HE2  LYS  10           HE2      LYS  10  69.460 -39.696 119.835
 1353    HE3  LYS  10           HE1      LYS  10  70.950 -39.702 118.890
 1354    HZ1  LYS  10           HZ1      LYS  10  69.767 -41.871 120.049
 1355    HZ2  LYS  10           HZ2      LYS  10  71.058 -41.515 121.095
 1356    HZ3  LYS  10           HZ3      LYS  10  71.350 -41.801 119.445
 1357    H    THR  11           HN       THR  11  73.002 -34.160 120.981
 1358    HA   THR  11           HA       THR  11  73.352 -32.442 123.367
 1359    HB   THR  11           HB       THR  11  75.851 -32.672 122.966
 1360    HG1  THR  11           HG1      THR  11  75.549 -35.152 121.920
 1361   HG21  THR  11          HG21      THR  11  75.913 -34.856 124.172
 1362   HG22  THR  11          HG22      THR  11  74.194 -35.052 123.822
 1363   HG23  THR  11          HG23      THR  11  74.741 -33.724 124.845
 1364    H    LEU  12           HN       LEU  12  73.035 -32.666 119.994
 1365    HA   LEU  12           HA       LEU  12  74.489 -30.216 119.448
 1366    HB2  LEU  12           HB2      LEU  12  73.792 -32.489 117.955
 1367    HB3  LEU  12           HB1      LEU  12  72.768 -31.230 117.281
 1368    HG   LEU  12           HG       LEU  12  75.786 -31.250 117.491
 1369   HD11  LEU  12          HD11      LEU  12  75.651 -31.019 115.048
 1370   HD12  LEU  12          HD12      LEU  12  73.894 -30.936 115.146
 1371   HD13  LEU  12          HD13      LEU  12  74.729 -32.427 115.576
 1372   HD21  LEU  12          HD21      LEU  12  73.901 -28.957 117.390
 1373   HD22  LEU  12          HD22      LEU  12  75.145 -28.920 116.147
 1374   HD23  LEU  12          HD23      LEU  12  75.604 -29.001 117.841
 1375    H    LYS  13           HN       LYS  13  73.561 -28.309 119.978
 1376    HA   LYS  13           HA       LYS  13  70.757 -27.878 119.190
 1377    HB2  LYS  13           HB2      LYS  13  71.892 -27.360 121.947
 1378    HB3  LYS  13           HB1      LYS  13  70.444 -26.559 121.355
 1379    HG2  LYS  13           HG2      LYS  13  69.323 -28.355 122.228
 1380    HG3  LYS  13           HG1      LYS  13  69.847 -29.201 120.780
 1381    HD2  LYS  13           HD2      LYS  13  72.040 -29.640 122.265
 1382    HD3  LYS  13           HD1      LYS  13  70.900 -29.394 123.588
 1383    HE2  LYS  13           HE2      LYS  13  70.820 -31.724 123.163
 1384    HE3  LYS  13           HE1      LYS  13  69.392 -31.086 122.347
 1385    HZ1  LYS  13           HZ1      LYS  13  71.844 -31.128 120.794
 1386    HZ2  LYS  13           HZ2      LYS  13  70.256 -31.486 120.322
 1387    HZ3  LYS  13           HZ3      LYS  13  71.177 -32.645 121.152
 1388    H    GLY  14           HN       GLY  14  70.333 -25.971 118.347
 1389    HA2  GLY  14           HA2      GLY  14  71.503 -23.509 118.816
 1390    HA3  GLY  14           HA1      GLY  14  72.453 -24.255 117.531
 1391    H    GLU  15           HN       GLU  15  71.676 -22.617 116.000
 1392    HA   GLU  15           HA       GLU  15  68.918 -23.139 115.034
 1393    HB2  GLU  15           HB2      GLU  15  70.388 -20.509 114.828
 1394    HB3  GLU  15           HB1      GLU  15  68.736 -20.854 114.325
 1395    HG2  GLU  15           HG2      GLU  15  69.690 -21.170 117.161
 1396    HG3  GLU  15           HG1      GLU  15  68.972 -19.686 116.546
 1397    H    THR  16           HN       THR  16  68.665 -22.872 112.708
 1398    HA   THR  16           HA       THR  16  71.114 -22.666 111.123
 1399    HB   THR  16           HB       THR  16  69.884 -24.892 109.964
 1400    HG1  THR  16           HG1      THR  16  68.645 -25.241 111.782
 1401   HG21  THR  16          HG21      THR  16  71.831 -26.126 110.859
 1402   HG22  THR  16          HG22      THR  16  72.193 -24.745 111.893
 1403   HG23  THR  16          HG23      THR  16  72.271 -24.579 110.139
 1404    H    THR  17           HN       THR  17  70.730 -22.171 108.934
 1405    HA   THR  17           HA       THR  17  67.935 -21.805 108.120
 1406    HB   THR  17           HB       THR  17  69.785 -19.455 107.826
 1407    HG1  THR  17           HG1      THR  17  69.537 -20.291 110.089
 1408   HG21  THR  17          HG21      THR  17  66.813 -19.512 108.325
 1409   HG22  THR  17          HG22      THR  17  67.472 -19.725 106.704
 1410   HG23  THR  17          HG23      THR  17  67.777 -18.240 107.587
 1411    H    THR  18           HN       THR  18  67.686 -21.216 105.869
 1412    HA   THR  18           HA       THR  18  69.968 -21.405 104.114
 1413    HB   THR  18           HB       THR  18  69.240 -23.803 104.690
 1414    HG1  THR  18           HG1      THR  18  69.590 -24.395 102.568
 1415   HG21  THR  18          HG21      THR  18  67.244 -24.642 103.786
 1416   HG22  THR  18          HG22      THR  18  67.032 -23.254 102.723
 1417   HG23  THR  18          HG23      THR  18  66.749 -23.086 104.452
 1418    H    GLU  19           HN       GLU  19  69.447 -20.737 101.985
 1419    HA   GLU  19           HA       GLU  19  66.913 -19.214 101.741
 1420    HB2  GLU  19           HB2      GLU  19  69.071 -17.970 101.545
 1421    HB3  GLU  19           HB1      GLU  19  69.518 -19.003 100.192
 1422    HG2  GLU  19           HG2      GLU  19  68.644 -17.093  99.139
 1423    HG3  GLU  19           HG1      GLU  19  67.281 -18.203  99.119
 1424    H    ALA  20           HN       ALA  20  65.362 -20.203 100.495
 1425    HA   ALA  20           HA       ALA  20  66.162 -21.503  98.009
 1426    HB1  ALA  20           HB1      ALA  20  65.951 -23.074 100.288
 1427    HB2  ALA  20           HB2      ALA  20  65.814 -23.666  98.636
 1428    HB3  ALA  20           HB3      ALA  20  64.362 -23.268  99.551
 1429    H    VAL  21           HN       VAL  21  64.325 -22.136  96.698
 1430    HA   VAL  21           HA       VAL  21  62.199 -20.184  96.877
 1431    HB   VAL  21           HB       VAL  21  62.832 -20.503  94.649
 1432   HG11  VAL  21          HG11      VAL  21  63.204 -23.392  95.440
 1433   HG12  VAL  21          HG12      VAL  21  64.435 -22.235  94.937
 1434   HG13  VAL  21          HG13      VAL  21  63.274 -22.853  93.766
 1435   HG21  VAL  21          HG21      VAL  21  61.058 -21.608  93.508
 1436   HG22  VAL  21          HG22      VAL  21  60.336 -21.086  95.030
 1437   HG23  VAL  21          HG23      VAL  21  60.824 -22.765  94.815
 1438    H    ASP  22           HN       ASP  22  62.679 -23.677  97.086
 1439    HA   ASP  22           HA       ASP  22  59.867 -23.952  98.005
 1440    HB2  ASP  22           HB2      ASP  22  60.627 -25.309  96.043
 1441    HB3  ASP  22           HB1      ASP  22  61.717 -26.152  97.138
 1442    H    ALA  23           HN       ALA  23  59.352 -25.196  99.742
 1443    HA   ALA  23           HA       ALA  23  61.165 -25.033 101.965
 1444    HB1  ALA  23           HB1      ALA  23  58.887 -24.764 102.522
 1445    HB2  ALA  23           HB2      ALA  23  59.272 -26.392 103.075
 1446    HB3  ALA  23           HB3      ALA  23  58.398 -26.158 101.563
 1447    H    ALA  24           HN       ALA  24  59.793 -27.656  99.986
 1448    HA   ALA  24           HA       ALA  24  61.004 -29.811 101.344
 1449    HB1  ALA  24           HB1      ALA  24  60.421 -29.754  98.373
 1450    HB2  ALA  24           HB2      ALA  24  59.156 -29.948  99.587
 1451    HB3  ALA  24           HB3      ALA  24  60.435 -31.155  99.445
 1452    H    THR  25           HN       THR  25  62.298 -27.781  98.558
 1453    HA   THR  25           HA       THR  25  64.651 -29.332  98.197
 1454    HB   THR  25           HB       THR  25  63.577 -27.436  96.680
 1455    HG1  THR  25           HG1      THR  25  65.197 -28.561  95.856
 1456   HG21  THR  25          HG21      THR  25  64.309 -25.697  98.578
 1457   HG22  THR  25          HG22      THR  25  64.428 -25.267  96.873
 1458   HG23  THR  25          HG23      THR  25  65.861 -25.803  97.747
 1459    H    ALA  26           HN       ALA  26  63.765 -26.793 100.439
 1460    HA   ALA  26           HA       ALA  26  66.395 -26.116 101.293
 1461    HB1  ALA  26           HB1      ALA  26  63.631 -25.675 102.393
 1462    HB2  ALA  26           HB2      ALA  26  64.801 -24.488 101.822
 1463    HB3  ALA  26           HB3      ALA  26  65.040 -25.283 103.376
 1464    H    GLU  27           HN       GLU  27  64.040 -28.487 102.261
 1465    HA   GLU  27           HA       GLU  27  65.219 -29.351 104.667
 1466    HB2  GLU  27           HB2      GLU  27  63.414 -30.744 104.715
 1467    HB3  GLU  27           HB1      GLU  27  62.924 -29.984 103.206
 1468    HG2  GLU  27           HG2      GLU  27  64.290 -31.716 101.976
 1469    HG3  GLU  27           HG1      GLU  27  64.558 -32.519 103.519
 1470    H    LYS  28           HN       LYS  28  65.899 -30.079 101.314
 1471    HA   LYS  28           HA       LYS  28  67.340 -32.455 101.613
 1472    HB2  LYS  28           HB2      LYS  28  67.802 -30.167  99.678
 1473    HB3  LYS  28           HB1      LYS  28  68.528 -31.769  99.531
 1474    HG2  LYS  28           HG2      LYS  28  66.186 -32.727  99.556
 1475    HG3  LYS  28           HG1      LYS  28  65.585 -31.075  99.434
 1476    HD2  LYS  28           HD2      LYS  28  66.969 -30.794  97.341
 1477    HD3  LYS  28           HD1      LYS  28  67.372 -32.508  97.434
 1478    HE2  LYS  28           HE2      LYS  28  65.142 -33.187  97.003
 1479    HE3  LYS  28           HE1      LYS  28  64.474 -31.627  97.460
 1480    HZ1  LYS  28           HZ1      LYS  28  66.246 -31.339  95.166
 1481    HZ2  LYS  28           HZ2      LYS  28  64.611 -30.898  95.291
 1482    HZ3  LYS  28           HZ3      LYS  28  65.030 -32.476  94.827
 1483    H    VAL  29           HN       VAL  29  68.337 -29.087 101.953
 1484    HA   VAL  29           HA       VAL  29  71.082 -29.680 102.468
 1485    HB   VAL  29           HB       VAL  29  69.566 -27.220 103.349
 1486   HG11  VAL  29          HG11      VAL  29  72.449 -27.680 102.524
 1487   HG12  VAL  29          HG12      VAL  29  71.886 -27.513 104.187
 1488   HG13  VAL  29          HG13      VAL  29  71.759 -26.152 103.070
 1489   HG21  VAL  29          HG21      VAL  29  70.302 -26.303 101.109
 1490   HG22  VAL  29          HG22      VAL  29  69.049 -27.540 101.010
 1491   HG23  VAL  29          HG23      VAL  29  70.724 -27.951 100.644
 1492    H    PHE  30           HN       PHE  30  68.358 -28.754 104.577
 1493    HA   PHE  30           HA       PHE  30  69.699 -28.958 107.024
 1494    HB2  PHE  30           HB2      PHE  30  66.779 -29.311 106.392
 1495    HB3  PHE  30           HB1      PHE  30  67.427 -29.177 108.015
 1496    HD1  PHE  30           HD2      PHE  30  69.358 -27.023 107.993
 1497    HD2  PHE  30           HD1      PHE  30  65.685 -27.353 105.766
 1498    HE1  PHE  30           HE2      PHE  30  69.239 -24.566 107.798
 1499    HE2  PHE  30           HE1      PHE  30  65.576 -24.890 105.611
 1500    HZ   PHE  30           HZ       PHE  30  67.351 -23.500 106.631
 1501    H    LYS  31           HN       LYS  31  67.746 -31.422 105.304
 1502    HA   LYS  31           HA       LYS  31  68.041 -33.334 107.406
 1503    HB2  LYS  31           HB2      LYS  31  67.138 -33.517 104.535
 1504    HB3  LYS  31           HB1      LYS  31  67.411 -34.985 105.472
 1505    HG2  LYS  31           HG2      LYS  31  65.874 -33.938 107.260
 1506    HG3  LYS  31           HG1      LYS  31  65.425 -32.769 106.018
 1507    HD2  LYS  31           HD2      LYS  31  64.653 -34.564 104.563
 1508    HD3  LYS  31           HD1      LYS  31  65.221 -35.774 105.705
 1509    HE2  LYS  31           HE2      LYS  31  63.629 -35.043 107.370
 1510    HE3  LYS  31           HE1      LYS  31  63.136 -33.681 106.360
 1511    HZ1  LYS  31           HZ1      LYS  31  62.911 -35.925 104.780
 1512    HZ2  LYS  31           HZ2      LYS  31  61.644 -35.017 105.454
 1513    HZ3  LYS  31           HZ3      LYS  31  62.257 -36.372 106.279
 1514    H    GLN  32           HN       GLN  32  69.725 -32.852 104.313
 1515    HA   GLN  32           HA       GLN  32  71.518 -35.022 104.620
 1516    HB2  GLN  32           HB2      GLN  32  71.079 -33.806 102.492
 1517    HB3  GLN  32           HB1      GLN  32  71.940 -32.414 103.149
 1518    HG2  GLN  32           HG2      GLN  32  73.979 -33.732 103.377
 1519    HG3  GLN  32           HG1      GLN  32  73.133 -35.184 102.843
 1520   HE21  GLN  32          HE21      GLN  32  75.229 -32.797 101.709
 1521   HE22  GLN  32          HE22      GLN  32  74.811 -32.825 100.065
 1522    H    TYR  33           HN       TYR  33  71.461 -31.716 105.721
 1523    HA   TYR  33           HA       TYR  33  74.142 -31.524 106.629
 1524    HB2  TYR  33           HB2      TYR  33  72.941 -29.527 106.206
 1525    HB3  TYR  33           HB1      TYR  33  71.579 -30.074 107.176
 1526    HD1  TYR  33           HD2      TYR  33  74.984 -28.730 107.243
 1527    HD2  TYR  33           HD1      TYR  33  71.617 -29.984 109.598
 1528    HE1  TYR  33           HE2      TYR  33  75.953 -27.603 109.227
 1529    HE2  TYR  33           HE1      TYR  33  72.584 -28.851 111.582
 1530    HH   TYR  33           HH       TYR  33  75.064 -26.612 111.386
 1531    H    ALA  34           HN       ALA  34  71.077 -32.478 108.094
 1532    HA   ALA  34           HA       ALA  34  71.867 -32.568 110.780
 1533    HB1  ALA  34           HB1      ALA  34  69.564 -32.792 110.453
 1534    HB2  ALA  34           HB2      ALA  34  70.032 -34.446 110.841
 1535    HB3  ALA  34           HB3      ALA  34  69.765 -33.977 109.165
 1536    H    ASN  35           HN       ASN  35  72.264 -35.006 108.142
 1537    HA   ASN  35           HA       ASN  35  73.178 -37.090 109.811
 1538    HB2  ASN  35           HB2      ASN  35  72.487 -36.944 107.212
 1539    HB3  ASN  35           HB1      ASN  35  74.235 -36.836 107.022
 1540   HD21  ASN  35          HD21      ASN  35  75.306 -38.902 106.930
 1541   HD22  ASN  35          HD22      ASN  35  74.655 -40.337 107.560
 1542    H    ASP  36           HN       ASP  36  74.848 -34.530 107.976
 1543    HA   ASP  36           HA       ASP  36  77.485 -35.270 108.716
 1544    HB2  ASP  36           HB2      ASP  36  76.679 -32.444 108.064
 1545    HB3  ASP  36           HB1      ASP  36  78.154 -33.308 107.628
 1546    H    ASN  37           HN       ASN  37  74.961 -33.555 110.373
 1547    HA   ASN  37           HA       ASN  37  76.802 -32.279 112.240
 1548    HB2  ASN  37           HB2      ASN  37  74.026 -32.009 111.391
 1549    HB3  ASN  37           HB1      ASN  37  74.165 -31.940 113.135
 1550   HD21  ASN  37          HD21      ASN  37  74.223 -29.760 113.720
 1551   HD22  ASN  37          HD22      ASN  37  75.151 -28.575 112.936
 1552    H    GLY  38           HN       GLY  38  74.770 -35.168 112.149
 1553    HA2  GLY  38           HA2      GLY  38  75.321 -37.011 113.590
 1554    HA3  GLY  38           HA1      GLY  38  75.779 -35.868 114.841
 1555    H    VAL  39           HN       VAL  39  73.062 -34.418 113.954
 1556    HA   VAL  39           HA       VAL  39  71.414 -36.021 115.829
 1557    HB   VAL  39           HB       VAL  39  71.584 -33.854 116.705
 1558   HG11  VAL  39          HG11      VAL  39  72.650 -32.848 114.695
 1559   HG12  VAL  39          HG12      VAL  39  71.420 -31.810 115.403
 1560   HG13  VAL  39          HG13      VAL  39  71.063 -32.732 113.944
 1561   HG21  VAL  39          HG21      VAL  39  69.387 -32.868 116.528
 1562   HG22  VAL  39          HG22      VAL  39  69.191 -34.613 116.412
 1563   HG23  VAL  39          HG23      VAL  39  69.117 -33.620 114.964
 1564    H    ASP  40           HN       ASP  40  70.130 -37.427 114.812
 1565    HA   ASP  40           HA       ASP  40  68.488 -36.449 112.541
 1566    HB2  ASP  40           HB2      ASP  40  69.204 -38.128 111.182
 1567    HB3  ASP  40           HB1      ASP  40  70.467 -38.436 112.363
 1568    H    GLY  41           HN       GLY  41  66.405 -36.264 113.325
 1569    HA2  GLY  41           HA2      GLY  41  65.325 -38.571 114.832
 1570    HA3  GLY  41           HA1      GLY  41  65.200 -36.968 115.537
 1571    H    GLU  42           HN       GLU  42  62.836 -37.102 115.505
 1572    HA   GLU  42           HA       GLU  42  61.497 -37.529 113.036
 1573    HB2  GLU  42           HB2      GLU  42  60.167 -36.162 115.352
 1574    HB3  GLU  42           HB1      GLU  42  59.527 -37.372 114.247
 1575    HG2  GLU  42           HG2      GLU  42  61.509 -37.828 116.489
 1576    HG3  GLU  42           HG1      GLU  42  59.856 -38.426 116.394
 1577    H    TRP  43           HN       TRP  43  60.865 -36.086 111.595
 1578    HA   TRP  43           HA       TRP  43  61.762 -33.306 111.928
 1579    HB2  TRP  43           HB2      TRP  43  61.144 -35.006 109.515
 1580    HB3  TRP  43           HB1      TRP  43  61.482 -33.276 109.423
 1581    HD1  TRP  43           HD1      TRP  43  63.185 -36.623 110.283
 1582    HE1  TRP  43           HE1      TRP  43  65.734 -36.240 110.334
 1583    HE3  TRP  43           HE3      TRP  43  63.304 -31.576 109.704
 1584    HZ2  TRP  43           HZ2      TRP  43  67.576 -34.072 110.120
 1585    HZ3  TRP  43           HZ3      TRP  43  65.456 -30.377 109.617
 1586    HH2  TRP  43           HH2      TRP  43  67.595 -31.609 109.822
 1587    H    THR  44           HN       THR  44  60.581 -31.666 110.996
 1588    HA   THR  44           HA       THR  44  57.760 -31.957 110.441
 1589    HB   THR  44           HB       THR  44  57.656 -31.903 112.870
 1590    HG1  THR  44           HG1      THR  44  56.534 -30.195 111.323
 1591   HG21  THR  44          HG21      THR  44  59.711 -31.064 113.612
 1592   HG22  THR  44          HG22      THR  44  58.610 -29.733 113.957
 1593   HG23  THR  44          HG23      THR  44  59.654 -29.665 112.541
 1594    H    TYR  45           HN       TYR  45  56.861 -29.789 109.716
 1595    HA   TYR  45           HA       TYR  45  58.854 -27.703 109.308
 1596    HB2  TYR  45           HB2      TYR  45  59.271 -28.999 107.331
 1597    HB3  TYR  45           HB1      TYR  45  57.548 -29.149 107.000
 1598    HD1  TYR  45           HD1      TYR  45  59.936 -26.341 107.802
 1599    HD2  TYR  45           HD2      TYR  45  56.758 -27.763 105.283
 1600    HE1  TYR  45           HE1      TYR  45  59.982 -24.213 106.546
 1601    HE2  TYR  45           HE2      TYR  45  56.811 -25.629 104.022
 1602    HH   TYR  45           HH       TYR  45  58.332 -22.877 105.134
 1603    H    ASP  46           HN       ASP  46  57.941 -25.845 109.716
 1604    HA   ASP  46           HA       ASP  46  55.020 -25.594 109.386
 1605    HB2  ASP  46           HB2      ASP  46  55.851 -24.932 111.611
 1606    HB3  ASP  46           HB1      ASP  46  56.979 -23.791 110.856
 1607    H    ASP  47           HN       ASP  47  54.470 -24.829 107.351
 1608    HA   ASP  47           HA       ASP  47  56.379 -23.289 105.802
 1609    HB2  ASP  47           HB2      ASP  47  54.722 -25.088 104.935
 1610    HB3  ASP  47           HB1      ASP  47  53.519 -23.805 105.012
 1611    H    ALA  48           HN       ALA  48  54.028 -22.622 108.089
 1612    HA   ALA  48           HA       ALA  48  53.120 -20.100 107.016
 1613    HB1  ALA  48           HB1      ALA  48  51.907 -21.690 108.665
 1614    HB2  ALA  48           HB2      ALA  48  51.799 -19.953 108.946
 1615    HB3  ALA  48           HB3      ALA  48  52.915 -20.934 109.898
 1616    H    THR  49           HN       THR  49  55.804 -21.201 109.016
 1617    HA   THR  49           HA       THR  49  56.703 -18.399 109.360
 1618    HB   THR  49           HB       THR  49  57.871 -19.412 111.503
 1619    HG1  THR  49           HG1      THR  49  57.238 -21.537 111.141
 1620   HG21  THR  49          HG21      THR  49  55.893 -18.846 112.867
 1621   HG22  THR  49          HG22      THR  49  54.898 -18.863 111.411
 1622   HG23  THR  49          HG23      THR  49  56.174 -17.659 111.594
 1623    H    LYS  50           HN       LYS  50  57.227 -20.991 107.562
 1624    HA   LYS  50           HA       LYS  50  59.068 -22.065 106.667
 1625    HB2  LYS  50           HB2      LYS  50  60.525 -19.460 107.102
 1626    HB3  LYS  50           HB1      LYS  50  60.659 -20.585 105.753
 1627    HG2  LYS  50           HG2      LYS  50  58.191 -18.930 106.374
 1628    HG3  LYS  50           HG1      LYS  50  59.395 -18.525 105.155
 1629    HD2  LYS  50           HD2      LYS  50  58.943 -20.724 104.042
 1630    HD3  LYS  50           HD1      LYS  50  57.644 -21.000 105.201
 1631    HE2  LYS  50           HE2      LYS  50  56.368 -19.184 104.382
 1632    HE3  LYS  50           HE1      LYS  50  57.742 -18.504 103.511
 1633    HZ1  LYS  50           HZ1      LYS  50  57.609 -20.915 102.410
 1634    HZ2  LYS  50           HZ2      LYS  50  56.788 -19.563 101.790
 1635    HZ3  LYS  50           HZ3      LYS  50  55.969 -20.680 102.773
 1636    H    THR  51           HN       THR  51  58.885 -22.911 109.183
 1637    HA   THR  51           HA       THR  51  61.684 -22.794 110.191
 1638    HB   THR  51           HB       THR  51  59.149 -22.745 111.860
 1639    HG1  THR  51           HG1      THR  51  59.790 -20.745 112.355
 1640   HG21  THR  51          HG21      THR  51  60.637 -24.199 113.024
 1641   HG22  THR  51          HG22      THR  51  60.886 -22.617 113.763
 1642   HG23  THR  51          HG23      THR  51  62.047 -23.232 112.587
 1643    H    PHE  52           HN       PHE  52  62.670 -24.768 110.312
 1644    HA   PHE  52           HA       PHE  52  60.996 -27.211 110.296
 1645    HB2  PHE  52           HB2      PHE  52  63.856 -26.642 109.502
 1646    HB3  PHE  52           HB1      PHE  52  63.194 -28.270 109.621
 1647    HD1  PHE  52           HD2      PHE  52  63.021 -25.044 107.797
 1648    HD2  PHE  52           HD1      PHE  52  61.693 -29.128 107.977
 1649    HE1  PHE  52           HE2      PHE  52  62.204 -24.902 105.451
 1650    HE2  PHE  52           HE1      PHE  52  60.894 -28.973 105.638
 1651    HZ   PHE  52           HZ       PHE  52  61.152 -26.858 104.378
 1652    H    THR  53           HN       THR  53  61.707 -28.969 111.779
 1653    HA   THR  53           HA       THR  53  63.739 -28.284 113.752
 1654    HB   THR  53           HB       THR  53  62.384 -28.514 115.721
 1655    HG1  THR  53           HG1      THR  53  60.888 -29.977 115.096
 1656   HG21  THR  53          HG21      THR  53  62.399 -26.256 114.651
 1657   HG22  THR  53          HG22      THR  53  60.960 -26.554 115.609
 1658   HG23  THR  53          HG23      THR  53  60.889 -26.657 113.851
 1659    H    VAL  54           HN       VAL  54  64.905 -30.172 114.267
 1660    HA   VAL  54           HA       VAL  54  63.558 -32.766 113.694
 1661    HB   VAL  54           HB       VAL  54  65.480 -32.259 112.215
 1662   HG11  VAL  54          HG11      VAL  54  67.695 -32.003 113.079
 1663   HG12  VAL  54          HG12      VAL  54  67.178 -32.433 114.707
 1664   HG13  VAL  54          HG13      VAL  54  66.676 -30.899 114.002
 1665   HG21  VAL  54          HG21      VAL  54  66.626 -34.402 112.527
 1666   HG22  VAL  54          HG22      VAL  54  64.909 -34.612 112.869
 1667   HG23  VAL  54          HG23      VAL  54  66.063 -34.491 114.196
 1668    H    THR  55           HN       THR  55  63.172 -34.046 115.409
 1669    HA   THR  55           HA       THR  55  64.746 -33.656 117.896
 1670    HB   THR  55           HB       THR  55  62.288 -32.782 117.820
 1671    HG1  THR  55           HG1      THR  55  63.561 -33.028 119.696
 1672   HG21  THR  55          HG21      THR  55  60.550 -34.361 118.197
 1673   HG22  THR  55          HG22      THR  55  61.693 -35.676 118.474
 1674   HG23  THR  55          HG23      THR  55  61.475 -35.022 116.853
 1675    H    GLU  56           HN       GLU  56  65.881 -35.439 118.500
 1676    HA   GLU  56           HA       GLU  56  64.892 -38.100 117.629
 1677    HB2  GLU  56           HB2      GLU  56  67.407 -38.667 118.286
 1678    HB3  GLU  56           HB1      GLU  56  67.020 -37.965 116.716
 1679    HG2  GLU  56           HG2      GLU  56  67.517 -35.727 117.550
 1680    HG3  GLU  56           HG1      GLU  56  67.831 -36.375 119.160
 1681    H1   MET   1           HT1      MET   1  55.085  16.557  96.449
 1682    H2   MET   1           HT2      MET   1  53.472  16.653  95.925
 1683    H3   MET   1           HT3      MET   1  54.151  15.148  96.324
 1684    HA   MET   1           HA       MET   1  53.830  17.368  98.252
 1685    HB2  MET   1           HB2      MET   1  51.611  16.863  98.363
 1686    HB3  MET   1           HB1      MET   1  51.820  15.721  97.050
 1687    HG2  MET   1           HG2      MET   1  52.604  14.064  98.957
 1688    HG3  MET   1           HG1      MET   1  51.786  15.208 100.021
 1689    HE1  MET   1           HE1      MET   1  50.340  13.921  96.169
 1690    HE2  MET   1           HE2      MET   1  50.451  12.341  96.933
 1691    HE3  MET   1           HE3      MET   1  51.862  13.392  96.893
 1692    H    GLN   2           HN       GLN   2  53.723  16.190 100.531
 1693    HA   GLN   2           HA       GLN   2  55.828  14.087 100.616
 1694    HB2  GLN   2           HB2      GLN   2  55.482  16.510 102.400
 1695    HB3  GLN   2           HB1      GLN   2  56.571  15.172 102.754
 1696    HG2  GLN   2           HG2      GLN   2  57.852  15.605 100.743
 1697    HG3  GLN   2           HG1      GLN   2  56.692  16.826 100.219
 1698   HE21  GLN   2          HE21      GLN   2  56.614  17.603 103.387
 1699   HE22  GLN   2          HE22      GLN   2  57.968  18.619 103.519
 1700    H    TYR   3           HN       TYR   3  55.512  12.422 102.037
 1701    HA   TYR   3           HA       TYR   3  53.088  12.531 103.739
 1702    HB2  TYR   3           HB2      TYR   3  54.254   9.885 102.952
 1703    HB3  TYR   3           HB1      TYR   3  52.586  10.321 103.334
 1704    HD1  TYR   3           HD1      TYR   3  55.272  11.084 100.842
 1705    HD2  TYR   3           HD2      TYR   3  51.071  10.521 101.560
 1706    HE1  TYR   3           HE1      TYR   3  54.825  11.314  98.420
 1707    HE2  TYR   3           HE2      TYR   3  50.629  10.752  99.132
 1708    HH   TYR   3           HH       TYR   3  53.259  10.923  96.798
 1709    H    LYS   4           HN       LYS   4  53.256  11.396 105.753
 1710    HA   LYS   4           HA       LYS   4  56.058  11.276 106.753
 1711    HB2  LYS   4           HB2      LYS   4  54.975  13.182 107.701
 1712    HB3  LYS   4           HB1      LYS   4  53.511  12.271 108.036
 1713    HG2  LYS   4           HG2      LYS   4  54.681  10.957 109.749
 1714    HG3  LYS   4           HG1      LYS   4  56.199  11.775 109.372
 1715    HD2  LYS   4           HD2      LYS   4  53.804  13.465 110.098
 1716    HD3  LYS   4           HD1      LYS   4  54.646  12.614 111.389
 1717    HE2  LYS   4           HE2      LYS   4  56.208  14.243 109.399
 1718    HE3  LYS   4           HE1      LYS   4  55.420  15.024 110.772
 1719    HZ1  LYS   4           HZ1      LYS   4  56.569  12.988 111.998
 1720    HZ2  LYS   4           HZ2      LYS   4  57.348  14.481 111.771
 1721    HZ3  LYS   4           HZ3      LYS   4  57.671  13.183 110.723
 1722    H    LEU   5           HN       LEU   5  56.721   9.355 107.552
 1723    HA   LEU   5           HA       LEU   5  54.664   7.328 108.215
 1724    HB2  LEU   5           HB2      LEU   5  56.230   6.623 106.480
 1725    HB3  LEU   5           HB1      LEU   5  57.588   7.042 107.491
 1726    HG   LEU   5           HG       LEU   5  56.849   4.527 107.216
 1727   HD11  LEU   5          HD11      LEU   5  57.614   5.679 109.897
 1728   HD12  LEU   5          HD12      LEU   5  58.699   5.173 108.606
 1729   HD13  LEU   5          HD13      LEU   5  57.720   3.982 109.452
 1730   HD21  LEU   5          HD21      LEU   5  55.212   5.086 109.669
 1731   HD22  LEU   5          HD22      LEU   5  55.272   3.641 108.683
 1732   HD23  LEU   5          HD23      LEU   5  54.477   5.077 108.076
 1733    H    ILE   6           HN       ILE   6  54.384   6.743 110.293
 1734    HA   ILE   6           HA       ILE   6  56.217   7.863 112.326
 1735    HB   ILE   6           HB       ILE   6  53.575   6.458 112.777
 1736   HG12  ILE   6          HG12      ILE   6  53.218   8.415 111.324
 1737   HG13  ILE   6          HG11      ILE   6  52.565   8.703 112.934
 1738   HG21  ILE   6          HG21      ILE   6  55.255   8.313 114.475
 1739   HG22  ILE   6          HG22      ILE   6  55.054   6.577 114.708
 1740   HG23  ILE   6          HG23      ILE   6  53.682   7.661 114.936
 1741   HD11  ILE   6          HD11      ILE   6  55.108   9.794 111.723
 1742   HD12  ILE   6          HD12      ILE   6  54.788   9.866 113.454
 1743   HD13  ILE   6          HD13      ILE   6  53.717  10.689 112.327
 1744    H    LEU   7           HN       LEU   7  57.511   6.605 113.459
 1745    HA   LEU   7           HA       LEU   7  57.535   3.742 112.838
 1746    HB2  LEU   7           HB2      LEU   7  59.468   5.618 114.191
 1747    HB3  LEU   7           HB1      LEU   7  59.652   3.877 114.333
 1748    HG   LEU   7           HG       LEU   7  59.359   4.103 111.609
 1749   HD11  LEU   7          HD11      LEU   7  60.993   6.516 112.406
 1750   HD12  LEU   7          HD12      LEU   7  59.305   6.631 111.905
 1751   HD13  LEU   7          HD13      LEU   7  60.519   6.016 110.783
 1752   HD21  LEU   7          HD21      LEU   7  61.154   2.917 112.816
 1753   HD22  LEU   7          HD22      LEU   7  61.934   4.458 113.167
 1754   HD23  LEU   7          HD23      LEU   7  61.805   3.894 111.502
 1755    H    ASN   8           HN       ASN   8  56.335   2.486 114.009
 1756    HA   ASN   8           HA       ASN   8  56.386   2.735 116.939
 1757    HB2  ASN   8           HB2      ASN   8  53.936   1.844 116.710
 1758    HB3  ASN   8           HB1      ASN   8  54.244   3.570 116.530
 1759   HD21  ASN   8          HD21      ASN   8  52.419   1.235 115.156
 1760   HD22  ASN   8          HD22      ASN   8  52.421   1.755 113.540
 1761    H    GLY   9           HN       GLY   9  57.986   1.100 116.822
 1762    HA2  GLY   9           HA2      GLY   9  56.986  -1.568 115.974
 1763    HA3  GLY   9           HA1      GLY   9  58.660  -1.062 115.785
 1764    H    LYS  10           HN       LYS  10  59.259  -2.925 117.016
 1765    HA   LYS  10           HA       LYS  10  58.372  -3.236 119.703
 1766    HB2  LYS  10           HB2      LYS  10  60.979  -4.348 118.655
 1767    HB3  LYS  10           HB1      LYS  10  59.893  -5.036 119.863
 1768    HG2  LYS  10           HG2      LYS  10  58.146  -5.077 117.902
 1769    HG3  LYS  10           HG1      LYS  10  59.565  -4.936 116.865
 1770    HD2  LYS  10           HD2      LYS  10  60.534  -6.943 118.008
 1771    HD3  LYS  10           HD1      LYS  10  59.024  -7.113 118.903
 1772    HE2  LYS  10           HE2      LYS  10  57.816  -7.224 116.695
 1773    HE3  LYS  10           HE1      LYS  10  59.389  -7.269 115.900
 1774    HZ1  LYS  10           HZ1      LYS  10  58.009  -9.418 116.857
 1775    HZ2  LYS  10           HZ2      LYS  10  59.199  -9.151 118.041
 1776    HZ3  LYS  10           HZ3      LYS  10  59.648  -9.399 116.421
 1777    H    THR  11           HN       THR  11  61.457  -1.885 118.341
 1778    HA   THR  11           HA       THR  11  61.666  -0.258 120.804
 1779    HB   THR  11           HB       THR  11  64.178  -0.580 120.616
 1780    HG1  THR  11           HG1      THR  11  63.856  -3.010 119.450
 1781   HG21  THR  11          HG21      THR  11  64.048  -2.804 121.741
 1782   HG22  THR  11          HG22      THR  11  62.360  -2.915 121.239
 1783   HG23  THR  11          HG23      THR  11  62.868  -1.645 122.352
 1784    H    LEU  12           HN       LEU  12  61.634  -0.366 117.413
 1785    HA   LEU  12           HA       LEU  12  63.226   2.034 117.072
 1786    HB2  LEU  12           HB2      LEU  12  62.564  -0.162 115.450
 1787    HB3  LEU  12           HB1      LEU  12  61.656   1.163 114.735
 1788    HG   LEU  12           HG       LEU  12  64.642   0.999 115.198
 1789   HD11  LEU  12          HD11      LEU  12  64.728   1.304 112.762
 1790   HD12  LEU  12          HD12      LEU  12  62.973   1.466 112.713
 1791   HD13  LEU  12          HD13      LEU  12  63.703  -0.074 113.165
 1792   HD21  LEU  12          HD21      LEU  12  62.874   3.377 115.020
 1793   HD22  LEU  12          HD22      LEU  12  64.215   3.395 113.880
 1794   HD23  LEU  12          HD23      LEU  12  64.532   3.242 115.602
 1795    H    LYS  13           HN       LYS  13  62.332   3.962 117.590
 1796    HA   LYS  13           HA       LYS  13  59.625   4.536 116.581
 1797    HB2  LYS  13           HB2      LYS  13  60.535   4.913 119.442
 1798    HB3  LYS  13           HB1      LYS  13  59.179   5.797 118.758
 1799    HG2  LYS  13           HG2      LYS  13  57.911   4.026 119.464
 1800    HG3  LYS  13           HG1      LYS  13  58.525   3.205 118.036
 1801    HD2  LYS  13           HD2      LYS  13  60.558   2.620 119.688
 1802    HD3  LYS  13           HD1      LYS  13  59.317   2.873 120.915
 1803    HE2  LYS  13           HE2      LYS  13  59.174   0.566 120.403
 1804    HE3  LYS  13           HE1      LYS  13  57.857   1.292 119.478
 1805    HZ1  LYS  13           HZ1      LYS  13  60.440   1.191 118.159
 1806    HZ2  LYS  13           HZ2      LYS  13  58.891   0.907 117.532
 1807    HZ3  LYS  13           HZ3      LYS  13  59.690  -0.308 118.407
 1808    H    GLY  14           HN       GLY  14  59.352   6.484 115.772
 1809    HA2  GLY  14           HA2      GLY  14  60.564   8.880 116.430
 1810    HA3  GLY  14           HA1      GLY  14  61.599   8.138 115.208
 1811    H    GLU  15           HN       GLU  15  61.022   9.855 113.676
 1812    HA   GLU  15           HA       GLU  15  58.344   9.476 112.451
 1813    HB2  GLU  15           HB2      GLU  15  59.930  12.046 112.461
 1814    HB3  GLU  15           HB1      GLU  15  58.317  11.785 111.803
 1815    HG2  GLU  15           HG2      GLU  15  59.001  11.349 114.700
 1816    HG3  GLU  15           HG1      GLU  15  58.400  12.879 114.072
 1817    H    THR  16           HN       THR  16  58.312   9.825 110.121
 1818    HA   THR  16           HA       THR  16  60.900   9.969 108.769
 1819    HB   THR  16           HB       THR  16  59.687   7.840 107.425
 1820    HG1  THR  16           HG1      THR  16  58.277   7.475 109.105
 1821   HG21  THR  16          HG21      THR  16  61.490   6.487 108.450
 1822   HG22  THR  16          HG22      THR  16  61.820   7.823 109.554
 1823   HG23  THR  16          HG23      THR  16  62.059   8.032 107.819
 1824    H    THR  17           HN       THR  17  60.732  10.540 106.574
 1825    HA   THR  17           HA       THR  17  58.040  11.067 105.538
 1826    HB   THR  17           HB       THR  17  60.023  13.325 105.486
 1827    HG1  THR  17           HG1      THR  17  59.506  12.434 107.687
 1828   HG21  THR  17          HG21      THR  17  57.020  13.413 105.701
 1829   HG22  THR  17          HG22      THR  17  57.818  13.203 104.143
 1830   HG23  THR  17          HG23      THR  17  58.113  14.648 105.093
 1831    H    THR  18           HN       THR  18  58.005  11.695 103.294
 1832    HA   THR  18           HA       THR  18  60.433  11.424 101.748
 1833    HB   THR  18           HB       THR  18  59.489   9.068 102.181
 1834    HG1  THR  18           HG1      THR  18  60.017   8.504 100.088
 1835   HG21  THR  18          HG21      THR  18  57.557   8.396 100.993
 1836   HG22  THR  18          HG22      THR  18  57.527   9.876 100.042
 1837   HG23  THR  18          HG23      THR  18  57.096   9.921 101.749
 1838    H    GLU  19           HN       GLU  19  60.172  12.166  99.610
 1839    HA   GLU  19           HA       GLU  19  57.775  13.850  99.158
 1840    HB2  GLU  19           HB2      GLU  19  59.998  14.981  99.216
 1841    HB3  GLU  19           HB1      GLU  19  60.534  13.952  97.892
 1842    HG2  GLU  19           HG2      GLU  19  59.870  15.938  96.814
 1843    HG3  GLU  19           HG1      GLU  19  58.478  14.885  96.601
 1844    H    ALA  20           HN       ALA  20  56.318  12.948  97.797
 1845    HA   ALA  20           HA       ALA  20  57.238  11.701  95.320
 1846    HB1  ALA  20           HB1      ALA  20  56.669  10.082  97.540
 1847    HB2  ALA  20           HB2      ALA  20  56.784   9.545  95.869
 1848    HB3  ALA  20           HB3      ALA  20  55.215   9.967  96.551
 1849    H    VAL  21           HN       VAL  21  55.478  11.229  93.839
 1850    HA   VAL  21           HA       VAL  21  53.470  13.311  93.882
 1851    HB   VAL  21           HB       VAL  21  54.308  12.964  91.721
 1852   HG11  VAL  21          HG11      VAL  21  54.262  10.020  92.424
 1853   HG12  VAL  21          HG12      VAL  21  55.666  11.029  92.087
 1854   HG13  VAL  21          HG13      VAL  21  54.554  10.605  90.790
 1855   HG21  VAL  21          HG21      VAL  21  52.503  12.146  90.421
 1856   HG22  VAL  21          HG22      VAL  21  51.738  12.659  91.923
 1857   HG23  VAL  21          HG23      VAL  21  52.051  10.948  91.635
 1858    H    ASP  22           HN       ASP  22  53.695   9.795  94.083
 1859    HA   ASP  22           HA       ASP  22  50.799   9.670  94.751
 1860    HB2  ASP  22           HB2      ASP  22  51.530   8.402  92.747
 1861    HB3  ASP  22           HB1      ASP  22  52.583   7.441  93.783
 1862    H    ALA  23           HN       ALA  23  50.080   8.225  96.318
 1863    HA   ALA  23           HA       ALA  23  51.690   8.173  98.696
 1864    HB1  ALA  23           HB1      ALA  23  49.385   8.507  99.066
 1865    HB2  ALA  23           HB2      ALA  23  49.657   6.833  99.550
 1866    HB3  ALA  23           HB3      ALA  23  48.933   7.190  97.984
 1867    H    ALA  24           HN       ALA  24  50.383   5.706  96.486
 1868    HA   ALA  24           HA       ALA  24  51.401   3.444  97.812
 1869    HB1  ALA  24           HB1      ALA  24  51.118   3.669  94.807
 1870    HB2  ALA  24           HB2      ALA  24  49.726   3.490  95.876
 1871    HB3  ALA  24           HB3      ALA  24  50.953   2.225  95.808
 1872    H    THR  25           HN       THR  25  53.014   5.620  95.343
 1873    HA   THR  25           HA       THR  25  55.345   3.990  95.098
 1874    HB   THR  25           HB       THR  25  54.412   5.999  93.590
 1875    HG1  THR  25           HG1      THR  25  56.031   4.758  92.863
 1876   HG21  THR  25          HG21      THR  25  55.077   7.633  95.560
 1877   HG22  THR  25          HG22      THR  25  55.422   8.096  93.895
 1878   HG23  THR  25          HG23      THR  25  56.705   7.437  94.911
 1879    H    ALA  26           HN       ALA  26  54.302   6.464  97.345
 1880    HA   ALA  26           HA       ALA  26  56.857   7.083  98.433
 1881    HB1  ALA  26           HB1      ALA  26  54.018   7.518  99.327
 1882    HB2  ALA  26           HB2      ALA  26  55.236   8.711  98.882
 1883    HB3  ALA  26           HB3      ALA  26  55.351   7.870 100.427
 1884    H    GLU  27           HN       GLU  27  54.420   4.711  99.125
 1885    HA   GLU  27           HA       GLU  27  55.437   3.780 101.587
 1886    HB2  GLU  27           HB2      GLU  27  53.611   2.426 101.553
 1887    HB3  GLU  27           HB1      GLU  27  53.169   3.297 100.091
 1888    HG2  GLU  27           HG2      GLU  27  54.384   1.587  98.745
 1889    HG3  GLU  27           HG1      GLU  27  54.717   0.697 100.213
 1890    H    LYS  28           HN       LYS  28  56.250   3.045  98.263
 1891    HA   LYS  28           HA       LYS  28  57.599   0.625  98.569
 1892    HB2  LYS  28           HB2      LYS  28  58.213   3.020  96.821
 1893    HB3  LYS  28           HB1      LYS  28  59.040   1.475  96.670
 1894    HG2  LYS  28           HG2      LYS  28  56.831   0.376  96.344
 1895    HG3  LYS  28           HG1      LYS  28  56.068   1.965  96.363
 1896    HD2  LYS  28           HD2      LYS  28  57.599   2.603  94.432
 1897    HD3  LYS  28           HD1      LYS  28  58.088   0.910  94.353
 1898    HE2  LYS  28           HE2      LYS  28  55.863   0.187  93.795
 1899    HE3  LYS  28           HE1      LYS  28  55.170   1.744  94.221
 1900    HZ1  LYS  28           HZ1      LYS  28  57.145   2.044  92.096
 1901    HZ2  LYS  28           HZ2      LYS  28  55.516   2.523  92.092
 1902    HZ3  LYS  28           HZ3      LYS  28  55.937   0.943  91.633
 1903    H    VAL  29           HN       VAL  29  58.686   3.947  99.133
 1904    HA   VAL  29           HA       VAL  29  61.358   3.225  99.839
 1905    HB   VAL  29           HB       VAL  29  59.862   5.714 100.679
 1906   HG11  VAL  29          HG11      VAL  29  62.792   5.172 100.108
 1907   HG12  VAL  29          HG12      VAL  29  62.080   5.295 101.717
 1908   HG13  VAL  29          HG13      VAL  29  62.106   6.702 100.654
 1909   HG21  VAL  29          HG21      VAL  29  60.857   6.668  98.551
 1910   HG22  VAL  29          HG22      VAL  29  59.555   5.507  98.296
 1911   HG23  VAL  29          HG23      VAL  29  61.233   5.014  98.067
 1912    H    PHE  30           HN       PHE  30  58.517   4.189 101.764
 1913    HA   PHE  30           HA       PHE  30  59.662   3.846 104.294
 1914    HB2  PHE  30           HB2      PHE  30  56.782   3.672 103.453
 1915    HB3  PHE  30           HB1      PHE  30  57.323   3.727 105.116
 1916    HD1  PHE  30           HD2      PHE  30  59.344   5.772 105.307
 1917    HD2  PHE  30           HD1      PHE  30  55.841   5.703 102.805
 1918    HE1  PHE  30           HE2      PHE  30  59.361   8.237 105.193
 1919    HE2  PHE  30           HE1      PHE  30  55.860   8.173 102.726
 1920    HZ   PHE  30           HZ       PHE  30  57.620   9.437 103.927
 1921    H    LYS  31           HN       LYS  31  57.720   1.538 102.353
 1922    HA   LYS  31           HA       LYS  31  57.754  -0.405 104.457
 1923    HB2  LYS  31           HB2      LYS  31  56.762  -0.277 101.665
 1924    HB3  LYS  31           HB1      LYS  31  57.070  -1.872 102.298
 1925    HG2  LYS  31           HG2      LYS  31  55.499  -1.623 104.039
 1926    HG3  LYS  31           HG1      LYS  31  55.496   0.122 103.901
 1927    HD2  LYS  31           HD2      LYS  31  53.947   0.139 102.235
 1928    HD3  LYS  31           HD1      LYS  31  54.679  -1.228 101.410
 1929    HE2  LYS  31           HE2      LYS  31  53.426  -2.210 103.813
 1930    HE3  LYS  31           HE1      LYS  31  52.277  -1.208 102.932
 1931    HZ1  LYS  31           HZ1      LYS  31  53.900  -2.953 101.294
 1932    HZ2  LYS  31           HZ2      LYS  31  52.242  -2.591 101.201
 1933    HZ3  LYS  31           HZ3      LYS  31  52.802  -3.740 102.320
 1934    H    GLN  32           HN       GLN  32  59.744   0.217 101.634
 1935    HA   GLN  32           HA       GLN  32  61.285  -2.197 101.887
 1936    HB2  GLN  32           HB2      GLN  32  61.112  -0.915  99.772
 1937    HB3  GLN  32           HB1      GLN  32  61.961   0.428 100.537
 1938    HG2  GLN  32           HG2      GLN  32  63.920  -0.992 100.921
 1939    HG3  GLN  32           HG1      GLN  32  63.074  -2.376 100.232
 1940   HE21  GLN  32          HE21      GLN  32  65.362  -0.025  99.435
 1941   HE22  GLN  32          HE22      GLN  32  65.111   0.037  97.758
 1942    H    TYR  33           HN       TYR  33  61.354   1.061 103.094
 1943    HA   TYR  33           HA       TYR  33  63.960   1.070 104.220
 1944    HB2  TYR  33           HB2      TYR  33  62.923   3.143 103.756
 1945    HB3  TYR  33           HB1      TYR  33  61.444   2.649 104.568
 1946    HD1  TYR  33           HD1      TYR  33  61.250   2.655 106.991
 1947    HD2  TYR  33           HD2      TYR  33  64.874   3.835 105.010
 1948    HE1  TYR  33           HE1      TYR  33  62.062   3.692 109.093
 1949    HE2  TYR  33           HE2      TYR  33  65.688   4.866 107.113
 1950    HH   TYR  33           HH       TYR  33  64.649   5.828 109.202
 1951    H    ALA  34           HN       ALA  34  60.734   0.240 105.386
 1952    HA   ALA  34           HA       ALA  34  61.274   0.051 108.130
 1953    HB1  ALA  34           HB1      ALA  34  59.000  -0.064 107.613
 1954    HB2  ALA  34           HB2      ALA  34  59.361  -1.752 107.967
 1955    HB3  ALA  34           HB3      ALA  34  59.257  -1.206 106.295
 1956    H    ASN  35           HN       ASN  35  61.814  -2.325 105.463
 1957    HA   ASN  35           HA       ASN  35  62.482  -4.499 107.138
 1958    HB2  ASN  35           HB2      ASN  35  62.034  -4.246 104.497
 1959    HB3  ASN  35           HB1      ASN  35  63.795  -4.201 104.463
 1960   HD21  ASN  35          HD21      ASN  35  64.798  -6.303 104.404
 1961   HD22  ASN  35          HD22      ASN  35  64.038  -7.731 104.918
 1962    H    ASP  36           HN       ASP  36  64.418  -1.963 105.545
 1963    HA   ASP  36           HA       ASP  36  66.945  -2.840 106.490
 1964    HB2  ASP  36           HB2      ASP  36  66.318   0.038 105.863
 1965    HB3  ASP  36           HB1      ASP  36  67.790  -0.878 105.530
 1966    H    ASN  37           HN       ASN  37  64.356  -1.063 107.972
 1967    HA   ASN  37           HA       ASN  37  66.070   0.078 110.036
 1968    HB2  ASN  37           HB2      ASN  37  63.395   0.489 108.949
 1969    HB3  ASN  37           HB1      ASN  37  63.377   0.502 110.700
 1970   HD21  ASN  37          HD21      ASN  37  63.457   2.663 111.350
 1971   HD22  ASN  37          HD22      ASN  37  64.503   3.830 110.697
 1972    H    GLY  38           HN       GLY  38  63.941  -2.716 109.668
 1973    HA2  GLY  38           HA2      GLY  38  64.280  -4.622 111.090
 1974    HA3  GLY  38           HA1      GLY  38  64.674  -3.540 112.415
 1975    H    VAL  39           HN       VAL  39  62.109  -1.943 111.336
 1976    HA   VAL  39           HA       VAL  39  60.235  -3.525 113.008
 1977    HB   VAL  39           HB       VAL  39  60.417  -1.397 113.968
 1978   HG11  VAL  39          HG11      VAL  39  61.697  -0.380 112.088
 1979   HG12  VAL  39          HG12      VAL  39  60.464   0.692 112.735
 1980   HG13  VAL  39          HG13      VAL  39  60.184  -0.158 111.218
 1981   HG21  VAL  39          HG21      VAL  39  58.288  -0.310 113.640
 1982   HG22  VAL  39          HG22      VAL  39  58.031  -2.040 113.442
 1983   HG23  VAL  39          HG23      VAL  39  58.124  -0.998 112.030
 1984    H    ASP  40           HN       ASP  40  58.993  -4.843 111.840
 1985    HA   ASP  40           HA       ASP  40  57.586  -3.734 109.474
 1986    HB2  ASP  40           HB2      ASP  40  58.351  -5.399 108.124
 1987    HB3  ASP  40           HB1      ASP  40  59.498  -5.791 109.393
 1988    H    GLY  41           HN       GLY  41  55.451  -3.495 110.086
 1989    HA2  GLY  41           HA2      GLY  41  54.168  -5.801 111.429
 1990    HA3  GLY  41           HA1      GLY  41  54.044  -4.215 112.172
 1991    H    GLU  42           HN       GLU  42  51.689  -4.231 111.941
 1992    HA   GLU  42           HA       GLU  42  50.542  -4.551 109.362
 1993    HB2  GLU  42           HB2      GLU  42  49.090  -3.169 111.593
 1994    HB3  GLU  42           HB1      GLU  42  48.486  -4.318 110.405
 1995    HG2  GLU  42           HG2      GLU  42  50.252  -4.926 112.788
 1996    HG3  GLU  42           HG1      GLU  42  48.585  -5.440 112.543
 1997    H    TRP  43           HN       TRP  43  50.023  -3.041 107.928
 1998    HA   TRP  43           HA       TRP  43  51.054  -0.323 108.384
 1999    HB2  TRP  43           HB2      TRP  43  50.590  -1.974 105.905
 2000    HB3  TRP  43           HB1      TRP  43  51.011  -0.260 105.862
 2001    HD1  TRP  43           HD1      TRP  43  52.486  -3.673 106.949
 2002    HE1  TRP  43           HE1      TRP  43  55.031  -3.383 107.244
 2003    HE3  TRP  43           HE3      TRP  43  52.853   1.327 106.198
 2004    HZ2  TRP  43           HZ2      TRP  43  56.976  -1.277 107.124
 2005    HZ3  TRP  43           HZ3      TRP  43  55.037   2.448 106.270
 2006    HH2  TRP  43           HH2      TRP  43  57.103   1.165 106.728
 2007    H    THR  44           HN       THR  44  50.052   1.388 107.412
 2008    HA   THR  44           HA       THR  44  47.282   1.268 106.588
 2009    HB   THR  44           HB       THR  44  46.970   1.257 109.002
 2010    HG1  THR  44           HG1      THR  44  46.070   3.061 107.415
 2011   HG21  THR  44          HG21      THR  44  49.002   1.978 109.927
 2012   HG22  THR  44          HG22      THR  44  47.921   3.331 110.246
 2013   HG23  THR  44          HG23      THR  44  49.073   3.423 108.920
 2014    H    TYR  45           HN       TYR  45  46.564   3.502 105.867
 2015    HA   TYR  45           HA       TYR  45  48.681   5.495 105.703
 2016    HB2  TYR  45           HB2      TYR  45  49.215   4.252 103.724
 2017    HB3  TYR  45           HB1      TYR  45  47.522   4.174 103.246
 2018    HD1  TYR  45           HD1      TYR  45  49.911   6.886 104.341
 2019    HD2  TYR  45           HD2      TYR  45  46.950   5.619 101.494
 2020    HE1  TYR  45           HE1      TYR  45  50.138   9.039 103.147
 2021    HE2  TYR  45           HE2      TYR  45  47.182   7.778 100.299
 2022    HH   TYR  45           HH       TYR  45  48.692  10.457 101.620
 2023    H    ASP  46           HN       ASP  46  47.804   7.373 106.125
 2024    HA   ASP  46           HA       ASP  46  44.938   7.761 105.550
 2025    HB2  ASP  46           HB2      ASP  46  45.609   8.316 107.858
 2026    HB3  ASP  46           HB1      ASP  46  46.835   9.437 107.236
 2027    H    ASP  47           HN       ASP  47  44.591   8.610 103.504
 2028    HA   ASP  47           HA       ASP  47  46.679  10.131 102.177
 2029    HB2  ASP  47           HB2      ASP  47  45.069   8.415 101.097
 2030    HB3  ASP  47           HB1      ASP  47  43.882   9.716 101.132
 2031    H    ALA  48           HN       ALA  48  44.176  10.797 104.289
 2032    HA   ALA  48           HA       ALA  48  43.409  13.374 103.237
 2033    HB1  ALA  48           HB1      ALA  48  42.043  11.766 104.752
 2034    HB2  ALA  48           HB2      ALA  48  41.954  13.497 105.072
 2035    HB3  ALA  48           HB3      ALA  48  42.976  12.467 106.074
 2036    H    THR  49           HN       THR  49  45.898  12.130 105.405
 2037    HA   THR  49           HA       THR  49  46.869  14.888 105.883
 2038    HB   THR  49           HB       THR  49  47.823  13.792 108.088
 2039    HG1  THR  49           HG1      THR  49  47.140  11.698 107.610
 2040   HG21  THR  49          HG21      THR  49  45.739  14.383 109.299
 2041   HG22  THR  49          HG22      THR  49  44.894  14.472 107.753
 2042   HG23  THR  49          HG23      THR  49  46.200  15.602 108.112
 2043    H    LYS  50           HN       LYS  50  47.436  12.336 104.058
 2044    HA   LYS  50           HA       LYS  50  49.295  11.210 103.274
 2045    HB2  LYS  50           HB2      LYS  50  50.819  13.732 103.910
 2046    HB3  LYS  50           HB1      LYS  50  51.011  12.648 102.536
 2047    HG2  LYS  50           HG2      LYS  50  48.575  14.395 103.027
 2048    HG3  LYS  50           HG1      LYS  50  49.884  14.783 101.918
 2049    HD2  LYS  50           HD2      LYS  50  49.420  12.665 100.678
 2050    HD3  LYS  50           HD1      LYS  50  48.042  12.381 101.740
 2051    HE2  LYS  50           HE2      LYS  50  46.870  14.263 100.928
 2052    HE3  LYS  50           HE1      LYS  50  48.313  14.952 100.187
 2053    HZ1  LYS  50           HZ1      LYS  50  48.161  12.556  98.991
 2054    HZ2  LYS  50           HZ2      LYS  50  47.526  13.992  98.343
 2055    HZ3  LYS  50           HZ3      LYS  50  46.517  12.921  99.192
 2056    H    THR  51           HN       THR  51  48.865  10.333 105.771
 2057    HA   THR  51           HA       THR  51  51.585  10.279 106.985
 2058    HB   THR  51           HB       THR  51  48.925  10.399 108.441
 2059    HG1  THR  51           HG1      THR  51  49.611  12.347 109.050
 2060   HG21  THR  51          HG21      THR  51  50.237   8.831 109.672
 2061   HG22  THR  51          HG22      THR  51  50.489  10.374 110.489
 2062   HG23  THR  51          HG23      THR  51  51.723   9.743 109.397
 2063    H    PHE  52           HN       PHE  52  52.476   8.259 107.134
 2064    HA   PHE  52           HA       PHE  52  50.714   5.890 106.889
 2065    HB2  PHE  52           HB2      PHE  52  53.654   6.361 106.372
 2066    HB3  PHE  52           HB1      PHE  52  52.918   4.761 106.371
 2067    HD1  PHE  52           HD2      PHE  52  53.041   8.051 104.664
 2068    HD2  PHE  52           HD1      PHE  52  51.541   4.025 104.565
 2069    HE1  PHE  52           HE2      PHE  52  52.451   8.312 102.262
 2070    HE2  PHE  52           HE1      PHE  52  50.967   4.297 102.170
 2071    HZ   PHE  52           HZ       PHE  52  51.424   6.441 101.023
 2072    H    THR  53           HN       THR  53  51.221   4.057 108.371
 2073    HA   THR  53           HA       THR  53  53.100   4.601 110.535
 2074    HB   THR  53           HB       THR  53  51.560   4.356 112.368
 2075    HG1  THR  53           HG1      THR  53  50.059   2.998 111.564
 2076   HG21  THR  53          HG21      THR  53  51.781   6.647 111.387
 2077   HG22  THR  53          HG22      THR  53  50.252   6.390 112.208
 2078   HG23  THR  53          HG23      THR  53  50.328   6.349 110.447
 2079    H    VAL  54           HN       VAL  54  54.145   2.652 111.096
 2080    HA   VAL  54           HA       VAL  54  52.752   0.133 110.327
 2081    HB   VAL  54           HB       VAL  54  54.803   0.551 109.027
 2082   HG11  VAL  54          HG11      VAL  54  56.945   0.760 110.064
 2083   HG12  VAL  54          HG12      VAL  54  56.296   0.343 111.647
 2084   HG13  VAL  54          HG13      VAL  54  55.887   1.888 110.908
 2085   HG21  VAL  54          HG21      VAL  54  55.874  -1.615 109.466
 2086   HG22  VAL  54          HG22      VAL  54  54.127  -1.778 109.635
 2087   HG23  VAL  54          HG23      VAL  54  55.146  -1.676 111.072
 2088    H    THR  55           HN       THR  55  52.161  -1.175 111.961
 2089    HA   THR  55           HA       THR  55  53.531  -0.933 114.584
 2090    HB   THR  55           HB       THR  55  51.128   0.055 114.332
 2091    HG1  THR  55           HG1      THR  55  52.239  -0.317 116.296
 2092   HG21  THR  55          HG21      THR  55  49.298  -1.455 114.514
 2093   HG22  THR  55          HG22      THR  55  50.358  -2.826 114.839
 2094   HG23  THR  55          HG23      THR  55  50.303  -2.116 113.227
 2095    H    GLU  56           HN       GLU  56  54.536  -2.782 115.215
 2096    HA   GLU  56           HA       GLU  56  53.516  -5.367 114.170
 2097    HB2  GLU  56           HB2      GLU  56  55.936  -6.064 115.042
 2098    HB3  GLU  56           HB1      GLU  56  55.723  -5.310 113.462
 2099    HG2  GLU  56           HG2      GLU  56  56.228  -3.113 114.407
 2100    HG3  GLU  56           HG1      GLU  56  56.380  -3.820 116.015
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  52.015  -1.745  99.354
    2    H2   MET   1           HT2      MET   1  53.392  -0.888  99.855
    3    H3   MET   1           HT3      MET   1  53.439  -2.581  99.739
    4    HA   MET   1           HA       MET   1  52.971  -0.784  97.445
    5    HB2  MET   1           HB2      MET   1  55.205  -0.397  97.344
    6    HB3  MET   1           HB1      MET   1  55.333  -1.122  98.926
    7    HG2  MET   1           HG2      MET   1  55.509  -3.393  97.696
    8    HG3  MET   1           HG1      MET   1  55.735  -2.442  96.230
    9    HE1  MET   1           HE1      MET   1  58.269  -2.912  99.902
   10    HE2  MET   1           HE2      MET   1  56.517  -2.990  99.734
   11    HE3  MET   1           HE3      MET   1  57.321  -1.439  99.937
   12    H    GLN   2           HN       GLN   2  53.885  -2.246  95.469
   13    HA   GLN   2           HA       GLN   2  52.501  -4.858  95.724
   14    HB2  GLN   2           HB2      GLN   2  52.513  -2.823  93.491
   15    HB3  GLN   2           HB1      GLN   2  52.022  -4.496  93.236
   16    HG2  GLN   2           HG2      GLN   2  50.196  -4.300  94.757
   17    HG3  GLN   2           HG1      GLN   2  50.803  -2.777  95.405
   18   HE21  GLN   2          HE21      GLN   2  48.892  -4.179  92.710
   19   HE22  GLN   2          HE22      GLN   2  48.504  -2.694  91.986
   20    H    TYR   3           HN       TYR   3  53.466  -6.603  95.007
   21    HA   TYR   3           HA       TYR   3  56.087  -6.388  93.637
   22    HB2  TYR   3           HB2      TYR   3  55.004  -8.607  95.376
   23    HB3  TYR   3           HB1      TYR   3  56.582  -8.568  94.596
   24    HD1  TYR   3           HD2      TYR   3  58.094  -6.502  95.110
   25    HD2  TYR   3           HD1      TYR   3  54.746  -7.712  97.515
   26    HE1  TYR   3           HE2      TYR   3  59.016  -5.252  97.041
   27    HE2  TYR   3           HE1      TYR   3  55.676  -6.454  99.434
   28    HH   TYR   3           HH       TYR   3  58.879  -5.085  99.343
   29    H    LYS   4           HN       LYS   4  56.259  -7.476  91.754
   30    HA   LYS   4           HA       LYS   4  53.885  -9.055  90.889
   31    HB2  LYS   4           HB2      LYS   4  54.281  -6.744  89.820
   32    HB3  LYS   4           HB1      LYS   4  55.669  -7.482  89.032
   33    HG2  LYS   4           HG2      LYS   4  54.336  -8.453  87.454
   34    HG3  LYS   4           HG1      LYS   4  53.344  -9.213  88.684
   35    HD2  LYS   4           HD2      LYS   4  52.136  -6.979  88.939
   36    HD3  LYS   4           HD1      LYS   4  53.008  -6.438  87.505
   37    HE2  LYS   4           HE2      LYS   4  51.360  -8.975  87.513
   38    HE3  LYS   4           HE1      LYS   4  50.659  -7.404  87.132
   39    HZ1  LYS   4           HZ1      LYS   4  52.137  -7.137  85.321
   40    HZ2  LYS   4           HZ2      LYS   4  51.466  -8.692  85.179
   41    HZ3  LYS   4           HZ3      LYS   4  53.049  -8.497  85.764
   42    H    LEU   5           HN       LEU   5  54.273 -11.098  90.314
   43    HA   LEU   5           HA       LEU   5  57.069 -11.891  89.752
   44    HB2  LEU   5           HB2      LEU   5  56.211 -12.929  91.763
   45    HB3  LEU   5           HB1      LEU   5  54.765 -13.439  90.939
   46    HG   LEU   5           HG       LEU   5  56.674 -15.166  91.427
   47   HD11  LEU   5          HD11      LEU   5  54.640 -15.691  90.193
   48   HD12  LEU   5          HD12      LEU   5  56.040 -16.509  89.509
   49   HD13  LEU   5          HD13      LEU   5  55.373 -15.096  88.706
   50   HD21  LEU   5          HD21      LEU   5  58.394 -13.685  90.170
   51   HD22  LEU   5          HD22      LEU   5  57.685 -14.377  88.730
   52   HD23  LEU   5          HD23      LEU   5  58.423 -15.417  89.924
   53    H    ILE   6           HN       ILE   6  57.542 -12.662  87.812
   54    HA   ILE   6           HA       ILE   6  55.374 -13.019  85.842
   55    HB   ILE   6           HB       ILE   6  58.367 -13.011  85.383
   56   HG12  ILE   6          HG12      ILE   6  57.650 -10.900  86.459
   57   HG13  ILE   6          HG11      ILE   6  58.163 -10.643  84.795
   58   HG21  ILE   6          HG21      ILE   6  57.124 -14.010  83.586
   59   HG22  ILE   6          HG22      ILE   6  57.617 -12.399  83.065
   60   HG23  ILE   6          HG23      ILE   6  55.957 -12.688  83.586
   61   HD11  ILE   6          HD11      ILE   6  55.679 -10.803  84.188
   62   HD12  ILE   6          HD12      ILE   6  56.181  -9.374  85.085
   63   HD13  ILE   6          HD13      ILE   6  55.364 -10.693  85.919
   64    H    LEU   7           HN       LEU   7  54.890 -14.975  85.075
   65    HA   LEU   7           HA       LEU   7  56.279 -17.283  86.222
   66    HB2  LEU   7           HB2      LEU   7  53.845 -16.985  84.485
   67    HB3  LEU   7           HB1      LEU   7  54.507 -18.544  84.894
   68    HG   LEU   7           HG       LEU   7  54.271 -17.306  87.396
   69   HD11  LEU   7          HD11      LEU   7  52.132 -16.258  85.573
   70   HD12  LEU   7          HD12      LEU   7  52.908 -15.501  86.940
   71   HD13  LEU   7          HD13      LEU   7  51.669 -16.720  87.205
   72   HD21  LEU   7          HD21      LEU   7  52.138 -18.977  86.069
   73   HD22  LEU   7          HD22      LEU   7  52.480 -18.867  87.790
   74   HD23  LEU   7          HD23      LEU   7  53.637 -19.642  86.713
   75    H    ASN   8           HN       ASN   8  58.028 -18.003  85.204
   76    HA   ASN   8           HA       ASN   8  57.980 -18.305  82.274
   77    HB2  ASN   8           HB2      ASN   8  59.397 -16.332  82.926
   78    HB3  ASN   8           HB1      ASN   8  60.393 -17.428  83.877
   79   HD21  ASN   8          HD21      ASN   8  62.306 -17.365  82.580
   80   HD22  ASN   8          HD22      ASN   8  62.343 -17.904  80.970
   81    H    GLY   9           HN       GLY   9  57.381 -20.479  82.706
   82    HA2  GLY   9           HA2      GLY   9  59.564 -22.139  83.849
   83    HA3  GLY   9           HA1      GLY   9  57.870 -22.468  84.185
   84    H    LYS  10           HN       LYS  10  58.295 -24.596  83.311
   85    HA   LYS  10           HA       LYS  10  59.083 -24.958  80.619
   86    HB2  LYS  10           HB2      LYS  10  57.307 -26.915  82.081
   87    HB3  LYS  10           HB1      LYS  10  58.589 -27.240  80.913
   88    HG2  LYS  10           HG2      LYS  10  60.033 -25.932  82.846
   89    HG3  LYS  10           HG1      LYS  10  58.795 -26.686  83.845
   90    HD2  LYS  10           HD2      LYS  10  59.366 -28.886  82.929
   91    HD3  LYS  10           HD1      LYS  10  60.557 -28.147  81.856
   92    HE2  LYS  10           HE2      LYS  10  61.911 -27.442  83.712
   93    HE3  LYS  10           HE1      LYS  10  60.653 -27.872  84.870
   94    HZ1  LYS  10           HZ1      LYS  10  62.214 -29.725  83.157
   95    HZ2  LYS  10           HZ2      LYS  10  60.878 -30.198  84.096
   96    HZ3  LYS  10           HZ3      LYS  10  62.278 -29.595  84.847
   97    H    THR  11           HN       THR  11  55.746 -24.993  82.073
   98    HA   THR  11           HA       THR  11  54.845 -23.804  79.598
   99    HB   THR  11           HB       THR  11  52.827 -25.546  80.798
  100    HG1  THR  11           HG1      THR  11  54.108 -27.195  81.056
  101   HG21  THR  11          HG21      THR  11  52.762 -24.363  78.663
  102   HG22  THR  11          HG22      THR  11  52.646 -26.102  78.431
  103   HG23  THR  11          HG23      THR  11  54.157 -25.289  78.117
  104    H    LEU  12           HN       LEU  12  55.192 -23.469  82.883
  105    HA   LEU  12           HA       LEU  12  52.590 -22.197  83.149
  106    HB2  LEU  12           HB2      LEU  12  54.632 -23.074  84.990
  107    HB3  LEU  12           HB1      LEU  12  54.281 -21.381  85.315
  108    HG   LEU  12           HG       LEU  12  52.386 -23.654  85.232
  109   HD11  LEU  12          HD11      LEU  12  53.388 -23.612  87.325
  110   HD12  LEU  12          HD12      LEU  12  51.835 -22.815  87.548
  111   HD13  LEU  12          HD13      LEU  12  53.301 -21.852  87.403
  112   HD21  LEU  12          HD21      LEU  12  51.860 -20.835  84.797
  113   HD22  LEU  12          HD22      LEU  12  50.918 -21.470  86.135
  114   HD23  LEU  12          HD23      LEU  12  50.800 -22.172  84.573
  115    H    LYS  13           HN       LYS  13  52.245 -20.303  82.121
  116    HA   LYS  13           HA       LYS  13  54.210 -18.145  82.570
  117    HB2  LYS  13           HB2      LYS  13  53.194 -18.956  79.846
  118    HB3  LYS  13           HB1      LYS  13  53.953 -17.406  80.175
  119    HG2  LYS  13           HG2      LYS  13  55.922 -18.426  79.700
  120    HG3  LYS  13           HG1      LYS  13  55.784 -19.181  81.279
  121    HD2  LYS  13           HD2      LYS  13  54.308 -20.956  79.933
  122    HD3  LYS  13           HD1      LYS  13  55.225 -20.336  78.560
  123    HE2  LYS  13           HE2      LYS  13  56.505 -22.152  79.386
  124    HE3  LYS  13           HE1      LYS  13  57.314 -20.716  80.016
  125    HZ1  LYS  13           HZ1      LYS  13  56.720 -21.198  82.107
  126    HZ2  LYS  13           HZ2      LYS  13  56.503 -22.778  81.527
  127    HZ3  LYS  13           HZ3      LYS  13  55.176 -21.730  81.665
  128    H    GLY  14           HN       GLY  14  53.338 -16.282  83.033
  129    HA2  GLY  14           HA2      GLY  14  51.154 -14.965  81.949
  130    HA3  GLY  14           HA1      GLY  14  50.566 -15.839  83.364
  131    H    GLU  15           HN       GLU  15  50.191 -13.737  84.525
  132    HA   GLU  15           HA       GLU  15  52.778 -12.747  85.632
  133    HB2  GLU  15           HB2      GLU  15  50.323 -11.021  85.497
  134    HB3  GLU  15           HB1      GLU  15  51.967 -10.556  85.895
  135    HG2  GLU  15           HG2      GLU  15  51.235 -11.696  83.211
  136    HG3  GLU  15           HG1      GLU  15  51.146  -9.977  83.563
  137    H    THR  16           HN       THR  16  52.661 -12.020  87.865
  138    HA   THR  16           HA       THR  16  50.303 -12.887  89.395
  139    HB   THR  16           HB       THR  16  52.558 -13.750  90.915
  140    HG1  THR  16           HG1      THR  16  52.741 -14.192  88.189
  141   HG21  THR  16          HG21      THR  16  51.516 -15.959  90.664
  142   HG22  THR  16          HG22      THR  16  50.484 -15.319  89.386
  143   HG23  THR  16          HG23      THR  16  50.325 -14.712  91.034
  144    H    THR  17           HN       THR  17  49.933 -11.638  91.234
  145    HA   THR  17           HA       THR  17  52.085  -9.854  92.133
  146    HB   THR  17           HB       THR  17  49.414  -8.606  91.563
  147    HG1  THR  17           HG1      THR  17  50.458  -9.696  89.675
  148   HG21  THR  17          HG21      THR  17  52.173  -7.396  91.403
  149   HG22  THR  17          HG22      THR  17  51.329  -7.534  92.941
  150   HG23  THR  17          HG23      THR  17  50.633  -6.581  91.643
  151    H    THR  18           HN       THR  18  51.713  -8.783  94.108
  152    HA   THR  18           HA       THR  18  49.432  -9.463  95.732
  153    HB   THR  18           HB       THR  18  51.022 -11.450  95.885
  154    HG1  THR  18           HG1      THR  18  50.996 -11.173  98.326
  155   HG21  THR  18          HG21      THR  18  53.092 -11.235  96.945
  156   HG22  THR  18          HG22      THR  18  52.671  -9.684  97.670
  157   HG23  THR  18          HG23      THR  18  53.041  -9.779  95.949
  158    H    GLU  19           HN       GLU  19  49.393  -8.224  97.692
  159    HA   GLU  19           HA       GLU  19  51.015  -5.748  97.563
  160    HB2  GLU  19           HB2      GLU  19  48.479  -5.676  97.515
  161    HB3  GLU  19           HB1      GLU  19  48.498  -6.340  99.145
  162    HG2  GLU  19           HG2      GLU  19  48.464  -4.110  99.730
  163    HG3  GLU  19           HG1      GLU  19  50.207  -4.268  99.525
  164    H    ALA  20           HN       ALA  20  52.701  -5.626  98.995
  165    HA   ALA  20           HA       ALA  20  52.338  -6.590 101.727
  166    HB1  ALA  20           HB1      ALA  20  53.312  -8.606 101.215
  167    HB2  ALA  20           HB2      ALA  20  54.816  -7.692 101.213
  168    HB3  ALA  20           HB3      ALA  20  53.974  -8.007  99.698
  169    H    VAL  21           HN       VAL  21  54.079  -5.952 103.118
  170    HA   VAL  21           HA       VAL  21  55.048  -3.317 102.472
  171    HB   VAL  21           HB       VAL  21  54.404  -3.464 104.714
  172   HG11  VAL  21          HG11      VAL  21  53.862  -5.758 104.853
  173   HG12  VAL  21          HG12      VAL  21  55.068  -5.494 106.109
  174   HG13  VAL  21          HG13      VAL  21  55.532  -6.253 104.591
  175   HG21  VAL  21          HG21      VAL  21  56.919  -2.820 104.443
  176   HG22  VAL  21          HG22      VAL  21  57.255  -4.429 105.070
  177   HG23  VAL  21          HG23      VAL  21  56.371  -3.271 106.054
  178    H    ASP  22           HN       ASP  22  56.322  -6.560 103.070
  179    HA   ASP  22           HA       ASP  22  59.016  -5.583 102.326
  180    HB2  ASP  22           HB2      ASP  22  58.659  -6.835 104.484
  181    HB3  ASP  22           HB1      ASP  22  58.329  -8.258 103.501
  182    H    ALA  23           HN       ALA  23  60.316  -6.684 100.945
  183    HA   ALA  23           HA       ALA  23  59.042  -7.752  98.602
  184    HB1  ALA  23           HB1      ALA  23  61.023  -6.488  98.252
  185    HB2  ALA  23           HB2      ALA  23  61.473  -8.164  97.949
  186    HB3  ALA  23           HB3      ALA  23  61.908  -7.397  99.473
  187    H    ALA  24           HN       ALA  24  61.116  -9.050 101.183
  188    HA   ALA  24           HA       ALA  24  61.209 -11.707 100.212
  189    HB1  ALA  24           HB1      ALA  24  62.666 -10.563 102.045
  190    HB2  ALA  24           HB2      ALA  24  62.261 -12.269 102.235
  191    HB3  ALA  24           HB3      ALA  24  61.377 -11.047 103.148
  192    H    THR  25           HN       THR  25  58.861 -10.156 102.606
  193    HA   THR  25           HA       THR  25  57.511 -12.526 103.287
  194    HB   THR  25           HB       THR  25  57.235 -10.119 104.288
  195    HG1  THR  25           HG1      THR  25  55.975 -12.303 104.499
  196   HG21  THR  25          HG21      THR  25  56.202  -9.377 101.939
  197   HG22  THR  25          HG22      THR  25  55.578  -8.703 103.443
  198   HG23  THR  25          HG23      THR  25  54.721 -10.022 102.643
  199    H    ALA  26           HN       ALA  26  57.186 -10.432 100.462
  200    HA   ALA  26           HA       ALA  26  54.761 -11.563  99.492
  201    HB1  ALA  26           HB1      ALA  26  55.081 -10.221  97.590
  202    HB2  ALA  26           HB2      ALA  26  56.838 -10.278  97.730
  203    HB3  ALA  26           HB3      ALA  26  55.893  -9.319  98.869
  204    H    GLU  27           HN       GLU  27  58.126 -12.298  99.067
  205    HA   GLU  27           HA       GLU  27  57.891 -14.108  96.907
  206    HB2  GLU  27           HB2      GLU  27  60.159 -14.111  96.996
  207    HB3  GLU  27           HB1      GLU  27  59.974 -12.889  98.247
  208    HG2  GLU  27           HG2      GLU  27  59.930 -14.732  99.953
  209    HG3  GLU  27           HG1      GLU  27  60.279 -15.872  98.675
  210    H    LYS  28           HN       LYS  28  57.547 -14.537 100.365
  211    HA   LYS  28           HA       LYS  28  57.958 -17.277 100.607
  212    HB2  LYS  28           HB2      LYS  28  55.813 -15.578 101.919
  213    HB3  LYS  28           HB1      LYS  28  56.293 -17.186 102.456
  214    HG2  LYS  28           HG2      LYS  28  58.659 -16.256 102.644
  215    HG3  LYS  28           HG1      LYS  28  57.950 -14.659 102.451
  216    HD2  LYS  28           HD2      LYS  28  57.438 -16.661 104.673
  217    HD3  LYS  28           HD1      LYS  28  58.134 -15.049 104.820
  218    HE2  LYS  28           HE2      LYS  28  55.891 -14.170 103.883
  219    HE3  LYS  28           HE1      LYS  28  55.257 -15.782 104.180
  220    HZ1  LYS  28           HZ1      LYS  28  55.438 -13.670 106.072
  221    HZ2  LYS  28           HZ2      LYS  28  56.586 -14.817 106.568
  222    HZ3  LYS  28           HZ3      LYS  28  54.958 -15.269 106.392
  223    H    VAL  29           HN       VAL  29  55.044 -15.524  99.574
  224    HA   VAL  29           HA       VAL  29  53.486 -17.887  99.174
  225    HB   VAL  29           HB       VAL  29  53.069 -15.195  97.868
  226   HG11  VAL  29          HG11      VAL  29  51.179 -17.417  98.705
  227   HG12  VAL  29          HG12      VAL  29  51.667 -17.054  97.049
  228   HG13  VAL  29          HG13      VAL  29  50.701 -15.892  97.959
  229   HG21  VAL  29          HG21      VAL  29  52.319 -16.174 100.639
  230   HG22  VAL  29          HG22      VAL  29  51.639 -14.732  99.887
  231   HG23  VAL  29          HG23      VAL  29  53.363 -14.809 100.246
  232    H    PHE  30           HN       PHE  30  55.104 -15.662  96.911
  233    HA   PHE  30           HA       PHE  30  54.517 -17.022  94.545
  234    HB2  PHE  30           HB2      PHE  30  56.875 -15.271  95.185
  235    HB3  PHE  30           HB1      PHE  30  56.407 -15.774  93.578
  236    HD1  PHE  30           HD2      PHE  30  53.568 -15.421  93.326
  237    HD2  PHE  30           HD1      PHE  30  56.361 -13.035  95.566
  238    HE1  PHE  30           HE2      PHE  30  52.041 -13.484  93.186
  239    HE2  PHE  30           HE1      PHE  30  54.844 -11.106  95.401
  240    HZ   PHE  30           HZ       PHE  30  52.675 -11.322  94.217
  241    H    LYS  31           HN       LYS  31  57.443 -17.298  96.610
  242    HA   LYS  31           HA       LYS  31  58.697 -19.105  94.784
  243    HB2  LYS  31           HB2      LYS  31  59.289 -17.984  97.450
  244    HB3  LYS  31           HB1      LYS  31  60.014 -19.539  97.137
  245    HG2  LYS  31           HG2      LYS  31  61.223 -18.721  95.286
  246    HG3  LYS  31           HG1      LYS  31  60.205 -17.309  95.129
  247    HD2  LYS  31           HD2      LYS  31  61.343 -16.122  96.708
  248    HD3  LYS  31           HD1      LYS  31  61.547 -17.517  97.759
  249    HE2  LYS  31           HE2      LYS  31  63.231 -17.919  95.463
  250    HE3  LYS  31           HE1      LYS  31  63.504 -16.293  96.079
  251    HZ1  LYS  31           HZ1      LYS  31  63.200 -18.247  98.151
  252    HZ2  LYS  31           HZ2      LYS  31  64.399 -17.064  97.934
  253    HZ3  LYS  31           HZ3      LYS  31  64.524 -18.559  97.136
  254    H    GLN  32           HN       GLN  32  56.701 -19.513  97.662
  255    HA   GLN  32           HA       GLN  32  56.998 -22.367  97.740
  256    HB2  GLN  32           HB2      GLN  32  56.325 -20.917  99.684
  257    HB3  GLN  32           HB1      GLN  32  54.772 -20.673  98.883
  258    HG2  GLN  32           HG2      GLN  32  54.458 -23.152  98.833
  259    HG3  GLN  32           HG1      GLN  32  55.948 -23.325  99.758
  260   HE21  GLN  32          HE21      GLN  32  52.602 -23.251 100.162
  261   HE22  GLN  32          HE22      GLN  32  52.533 -22.678 101.759
  262    H    TYR  33           HN       TYR  33  54.869 -20.039  96.250
  263    HA   TYR  33           HA       TYR  33  52.837 -21.809  95.400
  264    HB2  TYR  33           HB2      TYR  33  52.348 -19.494  95.538
  265    HB3  TYR  33           HB1      TYR  33  53.760 -19.078  94.572
  266    HD1  TYR  33           HD2      TYR  33  50.493 -20.835  94.459
  267    HD2  TYR  33           HD1      TYR  33  53.643 -18.967  92.213
  268    HE1  TYR  33           HE2      TYR  33  49.122 -20.998  92.398
  269    HE2  TYR  33           HE1      TYR  33  52.272 -19.131  90.153
  270    HH   TYR  33           HH       TYR  33  50.435 -20.106  89.242
  271    H    ALA  34           HN       ALA  34  55.770 -20.533  93.836
  272    HA   ALA  34           HA       ALA  34  55.320 -21.580  91.272
  273    HB1  ALA  34           HB1      ALA  34  57.399 -20.739  90.797
  274    HB2  ALA  34           HB2      ALA  34  58.144 -21.532  92.184
  275    HB3  ALA  34           HB3      ALA  34  57.266 -20.021  92.400
  276    H    ASN  35           HN       ASN  35  56.739 -23.128  94.203
  277    HA   ASN  35           HA       ASN  35  57.593 -25.453  92.804
  278    HB2  ASN  35           HB2      ASN  35  58.258 -24.488  95.170
  279    HB3  ASN  35           HB1      ASN  35  56.902 -25.466  95.729
  280   HD21  ASN  35          HD21      ASN  35  59.536 -26.063  93.235
  281   HD22  ASN  35          HD22      ASN  35  59.977 -27.567  93.888
  282    H    ASP  36           HN       ASP  36  54.756 -24.645  94.811
  283    HA   ASP  36           HA       ASP  36  53.491 -27.161  94.580
  284    HB2  ASP  36           HB2      ASP  36  52.042 -24.576  95.069
  285    HB3  ASP  36           HB1      ASP  36  51.696 -26.180  95.720
  286    H    ASN  37           HN       ASN  37  53.495 -24.381  92.376
  287    HA   ASN  37           HA       ASN  37  51.096 -25.380  91.049
  288    HB2  ASN  37           HB2      ASN  37  51.233 -23.417  89.697
  289    HB3  ASN  37           HB1      ASN  37  51.522 -22.960  91.371
  290   HD21  ASN  37          HD21      ASN  37  52.537 -21.061  89.825
  291   HD22  ASN  37          HD22      ASN  37  54.204 -21.234  89.559
  292    H    GLY  38           HN       GLY  38  54.609 -25.622  90.568
  293    HA2  GLY  38           HA2      GLY  38  55.061 -27.714  89.204
  294    HA3  GLY  38           HA1      GLY  38  54.086 -26.959  87.959
  295    H    VAL  39           HN       VAL  39  55.665 -24.337  89.094
  296    HA   VAL  39           HA       VAL  39  58.011 -24.790  87.310
  297    HB   VAL  39           HB       VAL  39  56.595 -23.243  86.205
  298   HG11  VAL  39          HG11      VAL  39  56.469 -21.579  88.717
  299   HG12  VAL  39          HG12      VAL  39  55.234 -22.733  88.266
  300   HG13  VAL  39          HG13      VAL  39  55.559 -21.354  87.234
  301   HG21  VAL  39          HG21      VAL  39  57.907 -21.215  86.128
  302   HG22  VAL  39          HG22      VAL  39  59.006 -22.561  86.387
  303   HG23  VAL  39          HG23      VAL  39  58.565 -21.520  87.731
  304    H    ASP  40           HN       ASP  40  59.743 -25.066  88.501
  305    HA   ASP  40           HA       ASP  40  60.339 -23.106  90.647
  306    HB2  ASP  40           HB2      ASP  40  59.735 -25.505  91.415
  307    HB3  ASP  40           HB1      ASP  40  61.277 -25.976  90.708
  308    H    GLY  41           HN       GLY  41  61.973 -21.820  89.744
  309    HA2  GLY  41           HA2      GLY  41  64.302 -23.257  88.618
  310    HA3  GLY  41           HA1      GLY  41  63.534 -22.012  87.651
  311    H    GLU  42           HN       GLU  42  65.540 -20.772  87.642
  312    HA   GLU  42           HA       GLU  42  66.713 -19.916  90.082
  313    HB2  GLU  42           HB2      GLU  42  67.127 -18.460  87.513
  314    HB3  GLU  42           HB1      GLU  42  68.297 -18.858  88.764
  315    HG2  GLU  42           HG2      GLU  42  67.086 -20.745  86.726
  316    HG3  GLU  42           HG1      GLU  42  68.773 -20.262  86.861
  317    H    TRP  43           HN       TRP  43  66.644 -17.774  90.923
  318    HA   TRP  43           HA       TRP  43  64.185 -16.284  90.191
  319    HB2  TRP  43           HB2      TRP  43  65.450 -16.857  92.855
  320    HB3  TRP  43           HB1      TRP  43  64.163 -15.673  92.626
  321    HD1  TRP  43           HD1      TRP  43  64.774 -19.498  92.359
  322    HE1  TRP  43           HE1      TRP  43  62.463 -20.643  92.414
  323    HE3  TRP  43           HE3      TRP  43  61.824 -15.395  92.298
  324    HZ2  TRP  43           HZ2      TRP  43  59.699 -19.869  92.468
  325    HZ3  TRP  43           HZ3      TRP  43  59.382 -15.597  92.370
  326    HH2  TRP  43           HH2      TRP  43  58.301 -17.824  92.456
  327    H    THR  44           HN       THR  44  64.141 -14.251  90.202
  328    HA   THR  44           HA       THR  44  66.467 -12.632  90.892
  329    HB   THR  44           HB       THR  44  66.553 -12.180  88.644
  330    HG1  THR  44           HG1      THR  44  65.011 -10.507  88.130
  331   HG21  THR  44          HG21      THR  44  64.944 -13.956  88.069
  332   HG22  THR  44          HG22      THR  44  64.654 -12.494  87.131
  333   HG23  THR  44          HG23      THR  44  63.618 -12.876  88.510
  334    H    TYR  45           HN       TYR  45  65.869 -10.366  91.708
  335    HA   TYR  45           HA       TYR  45  62.980 -10.154  92.088
  336    HB2  TYR  45           HB2      TYR  45  63.397 -11.028  94.224
  337    HB3  TYR  45           HB1      TYR  45  64.897 -10.111  94.396
  338    HD1  TYR  45           HD2      TYR  45  61.482  -9.017  93.181
  339    HD2  TYR  45           HD1      TYR  45  64.582  -8.550  96.119
  340    HE1  TYR  45           HE2      TYR  45  60.309  -7.063  94.103
  341    HE2  TYR  45           HE1      TYR  45  63.407  -6.571  97.029
  342    HH   TYR  45           HH       TYR  45  61.672  -5.214  96.826
  343    H    ASP  46           HN       ASP  46  62.509  -8.394  91.107
  344    HA   ASP  46           HA       ASP  46  64.504  -6.305  91.082
  345    HB2  ASP  46           HB2      ASP  46  63.105  -6.846  88.997
  346    HB3  ASP  46           HB1      ASP  46  61.738  -6.151  89.874
  347    H    ASP  47           HN       ASP  47  64.706  -5.097  92.811
  348    HA   ASP  47           HA       ASP  47  62.239  -4.477  94.354
  349    HB2  ASP  47           HB2      ASP  47  64.586  -5.239  95.378
  350    HB3  ASP  47           HB1      ASP  47  64.953  -3.524  95.205
  351    H    ALA  48           HN       ALA  48  64.161  -3.471  91.957
  352    HA   ALA  48           HA       ALA  48  64.210  -0.653  92.372
  353    HB1  ALA  48           HB1      ALA  48  65.448  -0.690  90.374
  354    HB2  ALA  48           HB2      ALA  48  64.601  -2.111  89.764
  355    HB3  ALA  48           HB3      ALA  48  65.782  -2.279  91.063
  356    H    THR  49           HN       THR  49  62.042  -2.979  90.901
  357    HA   THR  49           HA       THR  49  60.052  -0.921  90.212
  358    HB   THR  49           HB       THR  49  59.378  -2.631  88.333
  359    HG1  THR  49           HG1      THR  49  62.077  -3.235  88.204
  360   HG21  THR  49          HG21      THR  49  60.190  -0.465  87.716
  361   HG22  THR  49          HG22      THR  49  61.072  -1.648  86.750
  362   HG23  THR  49          HG23      THR  49  61.843  -0.899  88.149
  363    H    LYS  50           HN       LYS  50  60.891  -3.445  92.185
  364    HA   LYS  50           HA       LYS  50  59.721  -4.899  93.520
  365    HB2  LYS  50           HB2      LYS  50  57.176  -3.563  92.607
  366    HB3  LYS  50           HB1      LYS  50  57.511  -4.341  94.151
  367    HG2  LYS  50           HG2      LYS  50  58.777  -1.762  93.166
  368    HG3  LYS  50           HG1      LYS  50  57.512  -1.888  94.383
  369    HD2  LYS  50           HD2      LYS  50  59.063  -3.308  95.757
  370    HD3  LYS  50           HD1      LYS  50  60.330  -2.983  94.581
  371    HE2  LYS  50           HE2      LYS  50  60.379  -0.680  95.079
  372    HE3  LYS  50           HE1      LYS  50  58.833  -0.743  95.920
  373    HZ1  LYS  50           HZ1      LYS  50  61.435  -1.216  96.931
  374    HZ2  LYS  50           HZ2      LYS  50  60.449  -2.579  97.180
  375    HZ3  LYS  50           HZ3      LYS  50  59.972  -1.060  97.774
  376    H    THR  51           HN       THR  51  60.480  -5.977  91.140
  377    HA   THR  51           HA       THR  51  58.125  -7.644  90.444
  378    HB   THR  51           HB       THR  51  59.990  -6.332  88.444
  379    HG1  THR  51           HG1      THR  51  57.883  -5.701  87.631
  380   HG21  THR  51          HG21      THR  51  59.736  -8.590  87.672
  381   HG22  THR  51          HG22      THR  51  58.579  -7.621  86.758
  382   HG23  THR  51          HG23      THR  51  58.026  -8.613  88.108
  383    H    PHE  52           HN       PHE  52  58.484  -9.824  90.573
  384    HA   PHE  52           HA       PHE  52  61.251 -10.840  90.739
  385    HB2  PHE  52           HB2      PHE  52  58.568 -11.942  91.576
  386    HB3  PHE  52           HB1      PHE  52  60.072 -12.851  91.686
  387    HD1  PHE  52           HD1      PHE  52  58.448  -9.649  92.782
  388    HD2  PHE  52           HD2      PHE  52  61.377 -12.684  93.616
  389    HE1  PHE  52           HE1      PHE  52  58.809  -8.706  95.053
  390    HE2  PHE  52           HE2      PHE  52  61.729 -11.728  95.872
  391    HZ   PHE  52           HZ       PHE  52  60.436  -9.745  96.591
  392    H    THR  53           HN       THR  53  61.655 -12.958  89.626
  393    HA   THR  53           HA       THR  53  59.673 -13.884  87.733
  394    HB   THR  53           HB       THR  53  60.793 -13.609  85.693
  395    HG1  THR  53           HG1      THR  53  62.890 -13.976  86.936
  396   HG21  THR  53          HG21      THR  53  59.789 -11.489  86.410
  397   HG22  THR  53          HG22      THR  53  61.213 -11.208  85.433
  398   HG23  THR  53          HG23      THR  53  61.293 -11.020  87.183
  399    H    VAL  54           HN       VAL  54  59.848 -16.158  87.556
  400    HA   VAL  54           HA       VAL  54  62.399 -17.334  88.506
  401    HB   VAL  54           HB       VAL  54  60.480 -17.821  89.964
  402   HG11  VAL  54          HG11      VAL  54  59.330 -19.345  87.615
  403   HG12  VAL  54          HG12      VAL  54  58.825 -17.707  88.018
  404   HG13  VAL  54          HG13      VAL  54  58.567 -19.018  89.169
  405   HG21  VAL  54          HG21      VAL  54  62.357 -19.461  89.653
  406   HG22  VAL  54          HG22      VAL  54  61.421 -20.249  88.384
  407   HG23  VAL  54          HG23      VAL  54  60.829 -20.250  90.044
  408    H    THR  55           HN       THR  55  63.573 -18.527  87.083
  409    HA   THR  55           HA       THR  55  62.250 -19.523  84.617
  410    HB   THR  55           HB       THR  55  63.868 -17.453  84.498
  411    HG1  THR  55           HG1      THR  55  63.808 -19.738  82.864
  412   HG21  THR  55          HG21      THR  55  66.197 -17.971  84.287
  413   HG22  THR  55          HG22      THR  55  65.894 -19.700  84.332
  414   HG23  THR  55          HG23      THR  55  65.669 -18.724  85.781
  415    H    GLU  56           HN       GLU  56  62.372 -21.727  84.331
  416    HA   GLU  56           HA       GLU  56  64.590 -23.178  85.682
  417    HB2  GLU  56           HB2      GLU  56  62.866 -25.157  85.324
  418    HB3  GLU  56           HB1      GLU  56  62.689 -24.053  86.689
  419    HG2  GLU  56           HG2      GLU  56  61.083 -22.717  85.471
  420    HG3  GLU  56           HG1      GLU  56  61.306 -23.695  84.021
  421    H1   MET   1           HT1      MET   1  68.591 -24.024  70.494
  422    H2   MET   1           HT2      MET   1  69.917 -23.970  69.435
  423    H3   MET   1           HT3      MET   1  69.263 -22.531  70.053
  424    HA   MET   1           HA       MET   1  70.429 -24.629  71.770
  425    HB2  MET   1           HB2      MET   1  72.535 -23.970  71.187
  426    HB3  MET   1           HB1      MET   1  71.805 -23.088  69.862
  427    HG2  MET   1           HG2      MET   1  71.505 -21.153  71.588
  428    HG3  MET   1           HG1      MET   1  72.662 -22.056  72.564
  429    HE1  MET   1           HE1      MET   1  73.141 -19.894  68.644
  430    HE2  MET   1           HE2      MET   1  71.675 -20.449  69.445
  431    HE3  MET   1           HE3      MET   1  72.611 -21.560  68.449
  432    H    GLN   2           HN       GLN   2  71.412 -23.014  73.750
  433    HA   GLN   2           HA       GLN   2  69.076 -21.368  74.570
  434    HB2  GLN   2           HB2      GLN   2  70.707 -23.371  76.139
  435    HB3  GLN   2           HB1      GLN   2  69.689 -22.163  76.920
  436    HG2  GLN   2           HG2      GLN   2  67.706 -23.051  75.933
  437    HG3  GLN   2           HG1      GLN   2  68.626 -24.041  74.802
  438   HE21  GLN   2          HE21      GLN   2  67.445 -23.917  78.205
  439   HE22  GLN   2          HE22      GLN   2  67.956 -25.485  78.611
  440    H    TYR   3           HN       TYR   3  69.434 -19.464  75.489
  441    HA   TYR   3           HA       TYR   3  72.221 -18.579  75.970
  442    HB2  TYR   3           HB2      TYR   3  69.799 -16.927  75.246
  443    HB3  TYR   3           HB1      TYR   3  71.433 -16.328  75.515
  444    HD1  TYR   3           HD2      TYR   3  73.328 -17.395  74.077
  445    HD2  TYR   3           HD1      TYR   3  69.150 -17.582  73.102
  446    HE1  TYR   3           HE2      TYR   3  73.897 -17.825  71.704
  447    HE2  TYR   3           HE1      TYR   3  69.724 -18.013  70.731
  448    HH   TYR   3           HH       TYR   3  73.005 -17.752  69.570
  449    H    LYS   4           HN       LYS   4  72.620 -17.723  77.935
  450    HA   LYS   4           HA       LYS   4  70.315 -17.539  79.816
  451    HB2  LYS   4           HB2      LYS   4  71.962 -19.500  80.094
  452    HB3  LYS   4           HB1      LYS   4  73.126 -18.292  80.615
  453    HG2  LYS   4           HG2      LYS   4  72.208 -18.216  82.703
  454    HG3  LYS   4           HG1      LYS   4  70.616 -17.876  82.048
  455    HD2  LYS   4           HD2      LYS   4  70.390 -20.375  81.580
  456    HD3  LYS   4           HD1      LYS   4  71.871 -20.600  82.512
  457    HE2  LYS   4           HE2      LYS   4  69.476 -19.128  83.630
  458    HE3  LYS   4           HE1      LYS   4  69.670 -20.873  83.793
  459    HZ1  LYS   4           HZ1      LYS   4  71.689 -20.581  84.961
  460    HZ2  LYS   4           HZ2      LYS   4  70.555 -19.538  85.678
  461    HZ3  LYS   4           HZ3      LYS   4  71.735 -18.919  84.624
  462    H    LEU   5           HN       LEU   5  70.041 -15.623  80.768
  463    HA   LEU   5           HA       LEU   5  72.279 -13.680  80.696
  464    HB2  LEU   5           HB2      LEU   5  70.386 -12.962  79.360
  465    HB3  LEU   5           HB1      LEU   5  69.284 -13.276  80.671
  466    HG   LEU   5           HG       LEU   5  69.989 -10.819  80.124
  467   HD11  LEU   5          HD11      LEU   5  68.561 -11.407  81.991
  468   HD12  LEU   5          HD12      LEU   5  69.689 -10.134  82.440
  469   HD13  LEU   5          HD13      LEU   5  69.967 -11.780  82.983
  470   HD21  LEU   5          HD21      LEU   5  72.493 -11.435  80.363
  471   HD22  LEU   5          HD22      LEU   5  72.194 -11.304  82.084
  472   HD23  LEU   5          HD23      LEU   5  71.921  -9.925  81.043
  473    H    ILE   6           HN       ILE   6  73.068 -12.953  82.557
  474    HA   ILE   6           HA       ILE   6  71.849 -13.880  85.078
  475    HB   ILE   6           HB       ILE   6  74.507 -12.487  84.681
  476   HG12  ILE   6          HG12      ILE   6  74.402 -14.558  83.314
  477   HG13  ILE   6          HG11      ILE   6  75.557 -14.694  84.635
  478   HG21  ILE   6          HG21      ILE   6  73.726 -12.419  86.943
  479   HG22  ILE   6          HG22      ILE   6  74.989 -13.647  86.858
  480   HG23  ILE   6          HG23      ILE   6  73.293 -14.129  86.908
  481   HD11  ILE   6          HD11      ILE   6  73.706 -15.856  85.944
  482   HD12  ILE   6          HD12      ILE   6  74.336 -16.741  84.561
  483   HD13  ILE   6          HD13      ILE   6  72.795 -15.900  84.436
  484    H    LEU   7           HN       LEU   7  70.926 -12.482  86.438
  485    HA   LEU   7           HA       LEU   7  70.698  -9.690  85.579
  486    HB2  LEU   7           HB2      LEU   7  69.450 -11.273  87.812
  487    HB3  LEU   7           HB1      LEU   7  69.214  -9.556  87.642
  488    HG   LEU   7           HG       LEU   7  68.580 -10.499  85.086
  489   HD11  LEU   7          HD11      LEU   7  67.950 -12.637  87.085
  490   HD12  LEU   7          HD12      LEU   7  68.338 -12.760  85.392
  491   HD13  LEU   7          HD13      LEU   7  66.724 -12.271  85.881
  492   HD21  LEU   7          HD21      LEU   7  66.606 -10.217  87.340
  493   HD22  LEU   7          HD22      LEU   7  66.320  -9.929  85.632
  494   HD23  LEU   7          HD23      LEU   7  67.359  -8.841  86.543
  495    H    ASN   8           HN       ASN   8  72.220  -8.330  86.202
  496    HA   ASN   8           HA       ASN   8  73.187  -8.394  88.982
  497    HB2  ASN   8           HB2      ASN   8  74.876  -9.407  87.421
  498    HB3  ASN   8           HB1      ASN   8  74.923  -7.869  86.565
  499   HD21  ASN   8          HD21      ASN   8  77.050  -7.197  87.181
  500   HD22  ASN   8          HD22      ASN   8  77.490  -6.901  88.794
  501    H    GLY   9           HN       GLY   9  71.679  -6.703  89.358
  502    HA2  GLY   9           HA2      GLY   9  72.428  -4.116  88.117
  503    HA3  GLY   9           HA1      GLY   9  70.747  -4.570  88.346
  504    H    LYS  10           HN       LYS  10  70.481  -2.664  89.602
  505    HA   LYS  10           HA       LYS  10  71.984  -2.217  91.969
  506    HB2  LYS  10           HB2      LYS  10  69.179  -1.180  91.554
  507    HB3  LYS  10           HB1      LYS  10  70.529  -0.416  92.395
  508    HG2  LYS  10           HG2      LYS  10  71.626  -0.710  89.891
  509    HG3  LYS  10           HG1      LYS  10  69.930  -0.504  89.467
  510    HD2  LYS  10           HD2      LYS  10  69.861   1.596  90.754
  511    HD3  LYS  10           HD1      LYS  10  71.556   1.381  91.197
  512    HE2  LYS  10           HE2      LYS  10  72.263   1.581  88.906
  513    HE3  LYS  10           HE1      LYS  10  70.598   1.514  88.328
  514    HZ1  LYS  10           HZ1      LYS  10  71.836   3.669  89.950
  515    HZ2  LYS  10           HZ2      LYS  10  70.179   3.583  89.585
  516    HZ3  LYS  10           HZ3      LYS  10  71.317   3.777  88.338
  517    H    THR  11           HN       THR  11  68.639  -3.609  91.555
  518    HA   THR  11           HA       THR  11  69.259  -5.279  93.824
  519    HB   THR  11           HB       THR  11  66.418  -4.461  93.584
  520    HG1  THR  11           HG1      THR  11  66.950  -2.420  93.615
  521   HG21  THR  11          HG21      THR  11  67.398  -6.020  95.203
  522   HG22  THR  11          HG22      THR  11  66.704  -4.608  95.985
  523   HG23  THR  11          HG23      THR  11  68.435  -4.724  95.793
  524    H    LEU  12           HN       LEU  12  68.520  -5.114  90.576
  525    HA   LEU  12           HA       LEU  12  66.786  -7.448  90.731
  526    HB2  LEU  12           HB2      LEU  12  67.465  -5.527  88.687
  527    HB3  LEU  12           HB1      LEU  12  67.770  -7.138  88.053
  528    HG   LEU  12           HG       LEU  12  65.272  -6.092  89.235
  529   HD11  LEU  12          HD11      LEU  12  65.397  -5.407  87.007
  530   HD12  LEU  12          HD12      LEU  12  64.316  -6.795  87.019
  531   HD13  LEU  12          HD13      LEU  12  65.980  -6.987  86.494
  532   HD21  LEU  12          HD21      LEU  12  66.176  -8.833  89.047
  533   HD22  LEU  12          HD22      LEU  12  64.651  -8.610  88.204
  534   HD23  LEU  12          HD23      LEU  12  64.799  -8.214  89.870
  535    H    LYS  13           HN       LYS  13  67.687  -9.379  91.299
  536    HA   LYS  13           HA       LYS  13  70.069 -10.255  89.787
  537    HB2  LYS  13           HB2      LYS  13  69.889 -10.288  92.801
  538    HB3  LYS  13           HB1      LYS  13  71.049 -11.248  91.892
  539    HG2  LYS  13           HG2      LYS  13  72.428  -9.455  92.040
  540    HG3  LYS  13           HG1      LYS  13  71.424  -8.726  90.796
  541    HD2  LYS  13           HD2      LYS  13  69.938  -8.000  92.899
  542    HD3  LYS  13           HD1      LYS  13  71.465  -8.212  93.757
  543    HE2  LYS  13           HE2      LYS  13  71.463  -5.947  93.071
  544    HE3  LYS  13           HE1      LYS  13  72.497  -6.761  91.898
  545    HZ1  LYS  13           HZ1      LYS  13  71.011  -6.473  90.257
  546    HZ2  LYS  13           HZ2      LYS  13  70.422  -5.216  91.232
  547    HZ3  LYS  13           HZ3      LYS  13  69.679  -6.740  91.263
  548    H    GLY  14           HN       GLY  14  69.975 -12.251  89.119
  549    HA2  GLY  14           HA2      GLY  14  69.143 -14.574  90.386
  550    HA3  GLY  14           HA1      GLY  14  67.739 -13.956  89.515
  551    H    GLU  15           HN       GLU  15  67.859 -15.844  87.960
  552    HA   GLU  15           HA       GLU  15  69.950 -15.278  85.904
  553    HB2  GLU  15           HB2      GLU  15  68.743 -18.021  86.118
  554    HB3  GLU  15           HB1      GLU  15  70.190 -17.510  85.277
  555    HG2  GLU  15           HG2      GLU  15  69.972 -17.294  88.267
  556    HG3  GLU  15           HG1      GLU  15  70.482 -18.780  87.482
  557    H    THR  16           HN       THR  16  69.259 -15.855  83.681
  558    HA   THR  16           HA       THR  16  66.349 -15.976  83.250
  559    HB   THR  16           HB       THR  16  67.319 -14.037  81.395
  560    HG1  THR  16           HG1      THR  16  68.367 -13.848  83.943
  561   HG21  THR  16          HG21      THR  16  65.697 -12.574  82.530
  562   HG22  THR  16          HG22      THR  16  65.564 -13.755  83.833
  563   HG23  THR  16          HG23      THR  16  65.031 -14.174  82.204
  564    H    THR  17           HN       THR  17  65.795 -17.058  81.315
  565    HA   THR  17           HA       THR  17  67.976 -17.543  79.398
  566    HB   THR  17           HB       THR  17  66.443 -19.949  80.341
  567    HG1  THR  17           HG1      THR  17  67.598 -18.669  82.071
  568   HG21  THR  17          HG21      THR  17  69.311 -19.725  79.426
  569   HG22  THR  17          HG22      THR  17  67.991 -19.832  78.265
  570   HG23  THR  17          HG23      THR  17  68.261 -21.138  79.407
  571    H    THR  18           HN       THR  18  67.358 -18.447  77.402
  572    HA   THR  18           HA       THR  18  64.568 -18.716  76.734
  573    HB   THR  18           HB       THR  18  65.092 -16.217  76.663
  574    HG1  THR  18           HG1      THR  18  64.275 -16.241  74.320
  575   HG21  THR  18          HG21      THR  18  66.510 -15.354  75.019
  576   HG22  THR  18          HG22      THR  18  66.479 -16.839  74.071
  577   HG23  THR  18          HG23      THR  18  67.409 -16.771  75.568
  578    H    GLU  19           HN       GLU  19  64.290 -19.631  74.632
  579    HA   GLU  19           HA       GLU  19  66.690 -21.042  73.622
  580    HB2  GLU  19           HB2      GLU  19  64.681 -22.357  74.393
  581    HB3  GLU  19           HB1      GLU  19  63.752 -21.588  73.113
  582    HG2  GLU  19           HG2      GLU  19  64.390 -23.486  71.959
  583    HG3  GLU  19           HG1      GLU  19  65.802 -22.497  71.606
  584    H    ALA  20           HN       ALA  20  67.604 -20.034  71.925
  585    HA   ALA  20           HA       ALA  20  65.902 -19.154  69.686
  586    HB1  ALA  20           HB1      ALA  20  66.210 -16.984  70.370
  587    HB2  ALA  20           HB2      ALA  20  67.815 -17.177  69.670
  588    HB3  ALA  20           HB3      ALA  20  67.575 -17.404  71.399
  589    H    VAL  21           HN       VAL  21  67.113 -18.839  67.706
  590    HA   VAL  21           HA       VAL  21  69.133 -20.877  67.353
  591    HB   VAL  21           HB       VAL  21  67.680 -20.762  65.515
  592   HG11  VAL  21          HG11      VAL  21  66.420 -18.809  66.072
  593   HG12  VAL  21          HG12      VAL  21  67.095 -18.508  64.474
  594   HG13  VAL  21          HG13      VAL  21  67.824 -17.762  65.890
  595   HG21  VAL  21          HG21      VAL  21  70.187 -20.422  64.919
  596   HG22  VAL  21          HG22      VAL  21  69.737 -18.754  64.565
  597   HG23  VAL  21          HG23      VAL  21  68.995 -20.078  63.667
  598    H    ASP  22           HN       ASP  22  68.848 -17.359  67.275
  599    HA   ASP  22           HA       ASP  22  71.788 -17.141  66.937
  600    HB2  ASP  22           HB2      ASP  22  70.308 -16.013  65.274
  601    HB3  ASP  22           HB1      ASP  22  69.721 -14.983  66.576
  602    H    ALA  23           HN       ALA  23  72.951 -15.574  68.055
  603    HA   ALA  23           HA       ALA  23  72.335 -15.413  70.854
  604    HB1  ALA  23           HB1      ALA  23  74.624 -15.667  70.333
  605    HB2  ALA  23           HB2      ALA  23  74.474 -13.982  70.828
  606    HB3  ALA  23           HB3      ALA  23  74.575 -14.393  69.117
  607    H    ALA  24           HN       ALA  24  72.585 -13.055  68.201
  608    HA   ALA  24           HA       ALA  24  71.982 -10.773  69.766
  609    HB1  ALA  24           HB1      ALA  24  72.966 -10.908  67.360
  610    HB2  ALA  24           HB2      ALA  24  71.872  -9.578  67.745
  611    HB3  ALA  24           HB3      ALA  24  71.281 -10.974  66.842
  612    H    THR  25           HN       THR  25  69.745 -13.006  67.879
  613    HA   THR  25           HA       THR  25  67.407 -11.478  68.216
  614    HB   THR  25           HB       THR  25  67.824 -13.650  66.782
  615    HG1  THR  25           HG1      THR  25  65.768 -12.284  67.511
  616   HG21  THR  25          HG21      THR  25  68.083 -15.003  69.030
  617   HG22  THR  25          HG22      THR  25  67.195 -15.723  67.688
  618   HG23  THR  25          HG23      THR  25  66.319 -14.985  69.029
  619    H    ALA  26           HN       ALA  26  68.986 -13.790  70.385
  620    HA   ALA  26           HA       ALA  26  66.858 -13.965  72.267
  621    HB1  ALA  26           HB1      ALA  26  68.328 -15.242  73.571
  622    HB2  ALA  26           HB2      ALA  26  69.750 -14.374  72.997
  623    HB3  ALA  26           HB3      ALA  26  68.925 -15.515  71.936
  624    H    GLU  27           HN       GLU  27  69.599 -11.865  71.882
  625    HA   GLU  27           HA       GLU  27  69.569 -10.579  74.389
  626    HB2  GLU  27           HB2      GLU  27  71.395  -9.519  73.533
  627    HB3  GLU  27           HB1      GLU  27  71.156 -10.506  72.096
  628    HG2  GLU  27           HG2      GLU  27  69.624  -8.692  71.210
  629    HG3  GLU  27           HG1      GLU  27  70.110  -7.701  72.577
  630    H    LYS  28           HN       LYS  28  67.676 -10.077  71.491
  631    HA   LYS  28           HA       LYS  28  66.847  -7.448  71.879
  632    HB2  LYS  28           HB2      LYS  28  65.251  -9.775  70.777
  633    HB3  LYS  28           HB1      LYS  28  64.818  -8.074  70.597
  634    HG2  LYS  28           HG2      LYS  28  67.150  -7.757  69.567
  635    HG3  LYS  28           HG1      LYS  28  67.216  -9.515  69.459
  636    HD2  LYS  28           HD2      LYS  28  65.176  -7.679  68.157
  637    HD3  LYS  28           HD1      LYS  28  66.368  -8.694  67.342
  638    HE2  LYS  28           HE2      LYS  28  65.214 -10.692  68.536
  639    HE3  LYS  28           HE1      LYS  28  63.898  -9.576  68.869
  640    HZ1  LYS  28           HZ1      LYS  28  64.250 -11.074  66.494
  641    HZ2  LYS  28           HZ2      LYS  28  64.592  -9.472  66.049
  642    HZ3  LYS  28           HZ3      LYS  28  63.092  -9.856  66.744
  643    H    VAL  29           HN       VAL  29  65.479 -10.446  73.182
  644    HA   VAL  29           HA       VAL  29  63.382  -9.136  74.609
  645    HB   VAL  29           HB       VAL  29  64.602 -11.824  75.253
  646   HG11  VAL  29          HG11      VAL  29  61.814 -10.667  75.561
  647   HG12  VAL  29          HG12      VAL  29  62.968 -10.935  76.868
  648   HG13  VAL  29          HG13      VAL  29  62.292 -12.309  75.994
  649   HG21  VAL  29          HG21      VAL  29  62.561 -11.057  73.142
  650   HG22  VAL  29          HG22      VAL  29  62.873 -12.714  73.661
  651   HG23  VAL  29          HG23      VAL  29  64.142 -11.785  72.864
  652    H    PHE  30           HN       PHE  30  66.488 -10.543  75.623
  653    HA   PHE  30           HA       PHE  30  66.366  -9.866  78.328
  654    HB2  PHE  30           HB2      PHE  30  68.771 -10.221  76.558
  655    HB3  PHE  30           HB1      PHE  30  68.814 -10.163  78.308
  656    HD1  PHE  30           HD2      PHE  30  66.684 -11.824  79.299
  657    HD2  PHE  30           HD1      PHE  30  69.079 -12.388  75.766
  658    HE1  PHE  30           HE2      PHE  30  66.217 -14.247  79.359
  659    HE2  PHE  30           HE1      PHE  30  68.625 -14.811  75.854
  660    HZ   PHE  30           HZ       PHE  30  67.190 -15.744  77.648
  661    H    LYS  31           HN       LYS  31  67.862  -8.019  75.634
  662    HA   LYS  31           HA       LYS  31  68.861  -6.000  77.386
  663    HB2  LYS  31           HB2      LYS  31  68.482  -6.187  74.408
  664    HB3  LYS  31           HB1      LYS  31  68.835  -4.619  75.127
  665    HG2  LYS  31           HG2      LYS  31  70.819  -5.783  76.296
  666    HG3  LYS  31           HG1      LYS  31  70.537  -7.121  75.183
  667    HD2  LYS  31           HD2      LYS  31  70.874  -5.652  73.274
  668    HD3  LYS  31           HD1      LYS  31  70.993  -4.250  74.329
  669    HE2  LYS  31           HE2      LYS  31  73.031  -5.072  75.312
  670    HE3  LYS  31           HE1      LYS  31  72.869  -6.618  74.476
  671    HZ1  LYS  31           HZ1      LYS  31  72.701  -4.758  72.494
  672    HZ2  LYS  31           HZ2      LYS  31  74.067  -5.696  72.869
  673    HZ3  LYS  31           HZ3      LYS  31  73.902  -4.133  73.515
  674    H    GLN  32           HN       GLN  32  65.960  -6.199  75.349
  675    HA   GLN  32           HA       GLN  32  64.935  -3.664  76.102
  676    HB2  GLN  32           HB2      GLN  32  64.258  -5.075  74.109
  677    HB3  GLN  32           HB1      GLN  32  63.345  -6.078  75.236
  678    HG2  GLN  32           HG2      GLN  32  62.108  -4.054  75.988
  679    HG3  GLN  32           HG1      GLN  32  62.971  -3.105  74.781
  680   HE21  GLN  32          HE21      GLN  32  60.033  -4.707  75.279
  681   HE22  GLN  32          HE22      GLN  32  59.633  -5.040  73.663
  682    H    TYR  33           HN       TYR  33  64.730  -6.894  77.439
  683    HA   TYR  33           HA       TYR  33  62.634  -6.431  79.272
  684    HB2  TYR  33           HB2      TYR  33  63.149  -8.668  78.689
  685    HB3  TYR  33           HB1      TYR  33  64.855  -8.438  79.064
  686    HD1  TYR  33           HD2      TYR  33  61.461  -8.448  80.584
  687    HD2  TYR  33           HD1      TYR  33  65.690  -8.851  81.226
  688    HE1  TYR  33           HE2      TYR  33  61.041  -9.142  82.929
  689    HE2  TYR  33           HE1      TYR  33  65.270  -9.542  83.567
  690    HH   TYR  33           HH       TYR  33  63.704  -9.617  85.203
  691    H    ALA  34           HN       ALA  34  66.185  -6.285  79.579
  692    HA   ALA  34           HA       ALA  34  66.289  -5.811  82.344
  693    HB1  ALA  34           HB1      ALA  34  68.541  -5.687  81.994
  694    HB2  ALA  34           HB2      ALA  34  68.368  -4.427  80.772
  695    HB3  ALA  34           HB3      ALA  34  68.149  -6.120  80.329
  696    H    ASN  35           HN       ASN  35  65.791  -3.515  79.607
  697    HA   ASN  35           HA       ASN  35  66.066  -1.206  81.243
  698    HB2  ASN  35           HB2      ASN  35  66.134  -1.522  78.617
  699    HB3  ASN  35           HB1      ASN  35  64.401  -1.227  78.744
  700   HD21  ASN  35          HD21      ASN  35  67.309   0.261  80.428
  701   HD22  ASN  35          HD22      ASN  35  66.839   1.856  80.086
  702    H    ASP  36           HN       ASP  36  63.288  -3.061  79.990
  703    HA   ASP  36           HA       ASP  36  61.294  -1.480  81.223
  704    HB2  ASP  36           HB2      ASP  36  60.959  -4.379  80.507
  705    HB3  ASP  36           HB1      ASP  36  59.769  -3.077  80.437
  706    H    ASN  37           HN       ASN  37  63.253  -4.151  82.512
  707    HA   ASN  37           HA       ASN  37  61.350  -4.539  84.685
  708    HB2  ASN  37           HB2      ASN  37  62.761  -6.332  85.377
  709    HB3  ASN  37           HB1      ASN  37  62.568  -6.422  83.631
  710   HD21  ASN  37          HD21      ASN  37  64.757  -7.766  84.274
  711   HD22  ASN  37          HD22      ASN  37  66.179  -6.856  84.093
  712    H    GLY  38           HN       GLY  38  64.366  -2.722  84.191
  713    HA2  GLY  38           HA2      GLY  38  64.390  -0.811  85.860
  714    HA3  GLY  38           HA1      GLY  38  64.344  -2.055  87.094
  715    H    VAL  39           HN       VAL  39  66.310  -3.511  84.951
  716    HA   VAL  39           HA       VAL  39  68.741  -2.181  86.046
  717    HB   VAL  39           HB       VAL  39  68.574  -4.320  87.061
  718   HG11  VAL  39          HG11      VAL  39  68.271  -5.578  84.338
  719   HG12  VAL  39          HG12      VAL  39  66.913  -5.198  85.372
  720   HG13  VAL  39          HG13      VAL  39  68.117  -6.355  85.904
  721   HG21  VAL  39          HG21      VAL  39  70.534  -5.493  86.238
  722   HG22  VAL  39          HG22      VAL  39  70.817  -3.763  86.112
  723   HG23  VAL  39          HG23      VAL  39  70.409  -4.692  84.678
  724    H    ASP  40           HN       ASP  40  69.640  -1.000  84.534
  725    HA   ASP  40           HA       ASP  40  70.156  -2.222  81.879
  726    HB2  ASP  40           HB2      ASP  40  68.391  -0.312  81.960
  727    HB3  ASP  40           HB1      ASP  40  69.764   0.747  82.270
  728    H    GLY  41           HN       GLY  41  72.374  -2.668  81.936
  729    HA2  GLY  41           HA2      GLY  41  74.143  -0.431  82.730
  730    HA3  GLY  41           HA1      GLY  41  74.353  -1.990  83.504
  731    H    GLU  42           HN       GLU  42  76.565  -2.076  82.636
  732    HA   GLU  42           HA       GLU  42  76.962  -2.019  79.825
  733    HB2  GLU  42           HB2      GLU  42  78.932  -3.291  81.699
  734    HB3  GLU  42           HB1      GLU  42  79.220  -2.273  80.292
  735    HG2  GLU  42           HG2      GLU  42  78.184  -1.384  82.996
  736    HG3  GLU  42           HG1      GLU  42  79.738  -0.982  82.268
  737    H    TRP  43           HN       TRP  43  77.032  -3.662  78.440
  738    HA   TRP  43           HA       TRP  43  76.107  -6.286  79.396
  739    HB2  TRP  43           HB2      TRP  43  75.975  -4.893  76.726
  740    HB3  TRP  43           HB1      TRP  43  75.528  -6.584  76.958
  741    HD1  TRP  43           HD1      TRP  43  74.415  -3.028  77.924
  742    HE1  TRP  43           HE1      TRP  43  72.012  -3.159  78.847
  743    HE3  TRP  43           HE3      TRP  43  73.805  -8.075  78.029
  744    HZ2  TRP  43           HZ2      TRP  43  70.088  -5.145  79.491
  745    HZ3  TRP  43           HZ3      TRP  43  71.677  -9.060  78.792
  746    HH2  TRP  43           HH2      TRP  43  69.811  -7.608  79.527
  747    H    THR  44           HN       THR  44  76.769  -8.104  78.316
  748    HA   THR  44           HA       THR  44  79.248  -8.202  76.841
  749    HB   THR  44           HB       THR  44  80.198  -8.119  79.068
  750    HG1  THR  44           HG1      THR  44  80.260 -10.817  78.953
  751   HG21  THR  44          HG21      THR  44  78.386  -8.552  80.517
  752   HG22  THR  44          HG22      THR  44  79.434  -9.957  80.709
  753   HG23  THR  44          HG23      THR  44  77.983 -10.070  79.715
  754    H    TYR  45           HN       TYR  45  79.564 -10.440  75.997
  755    HA   TYR  45           HA       TYR  45  77.400 -12.315  76.568
  756    HB2  TYR  45           HB2      TYR  45  76.340 -11.138  74.795
  757    HB3  TYR  45           HB1      TYR  45  77.826 -11.072  73.852
  758    HD1  TYR  45           HD2      TYR  45  75.921 -13.802  75.629
  759    HD2  TYR  45           HD1      TYR  45  77.770 -12.480  71.982
  760    HE1  TYR  45           HE2      TYR  45  75.333 -15.943  74.553
  761    HE2  TYR  45           HE1      TYR  45  77.182 -14.635  70.907
  762    HH   TYR  45           HH       TYR  45  76.190 -16.597  71.152
  763    H    ASP  46           HN       ASP  46  78.353 -14.169  76.912
  764    HA   ASP  46           HA       ASP  46  80.860 -14.770  75.497
  765    HB2  ASP  46           HB2      ASP  46  80.900 -15.169  77.927
  766    HB3  ASP  46           HB1      ASP  46  79.492 -16.236  77.783
  767    H    ASP  47           HN       ASP  47  80.537 -15.739  73.500
  768    HA   ASP  47           HA       ASP  47  78.086 -17.215  72.976
  769    HB2  ASP  47           HB2      ASP  47  79.332 -15.628  71.347
  770    HB3  ASP  47           HB1      ASP  47  80.422 -16.987  71.084
  771    H    ALA  48           HN       ALA  48  81.089 -17.887  74.263
  772    HA   ALA  48           HA       ALA  48  81.432 -20.545  73.186
  773    HB1  ALA  48           HB1      ALA  48  83.370 -20.640  74.499
  774    HB2  ALA  48           HB2      ALA  48  82.722 -19.534  75.710
  775    HB3  ALA  48           HB3      ALA  48  83.232 -18.920  74.139
  776    H    THR  49           HN       THR  49  79.705 -19.072  75.869
  777    HA   THR  49           HA       THR  49  78.852 -21.747  76.813
  778    HB   THR  49           HB       THR  49  78.570 -20.457  79.102
  779    HG1  THR  49           HG1      THR  49  80.839 -19.076  78.397
  780   HG21  THR  49          HG21      THR  49  80.112 -22.340  78.748
  781   HG22  THR  49          HG22      THR  49  80.843 -21.101  79.768
  782   HG23  THR  49          HG23      THR  49  81.307 -21.234  78.072
  783    H    LYS  50           HN       LYS  50  77.876 -19.301  75.021
  784    HA   LYS  50           HA       LYS  50  75.904 -18.163  74.665
  785    HB2  LYS  50           HB2      LYS  50  74.557 -20.567  75.885
  786    HB3  LYS  50           HB1      LYS  50  74.019 -19.576  74.532
  787    HG2  LYS  50           HG2      LYS  50  76.466 -21.376  74.488
  788    HG3  LYS  50           HG1      LYS  50  74.900 -21.785  73.798
  789    HD2  LYS  50           HD2      LYS  50  75.066 -19.746  72.344
  790    HD3  LYS  50           HD1      LYS  50  76.698 -19.493  72.955
  791    HE2  LYS  50           HE2      LYS  50  77.517 -21.459  71.951
  792    HE3  LYS  50           HE1      LYS  50  75.902 -22.128  71.722
  793    HZ1  LYS  50           HZ1      LYS  50  77.392 -20.445  70.004
  794    HZ2  LYS  50           HZ2      LYS  50  75.923 -19.696  70.415
  795    HZ3  LYS  50           HZ3      LYS  50  75.924 -21.242  69.708
  796    H    THR  51           HN       THR  51  77.016 -17.147  76.925
  797    HA   THR  51           HA       THR  51  74.691 -16.843  78.754
  798    HB   THR  51           HB       THR  51  77.604 -17.127  79.548
  799    HG1  THR  51           HG1      THR  51  76.333 -18.765  80.903
  800   HG21  THR  51          HG21      THR  51  76.751 -15.444  80.997
  801   HG22  THR  51          HG22      THR  51  76.561 -16.943  81.905
  802   HG23  THR  51          HG23      THR  51  75.170 -16.219  81.098
  803    H    PHE  52           HN       PHE  52  74.017 -14.745  79.071
  804    HA   PHE  52           HA       PHE  52  75.793 -12.516  78.270
  805    HB2  PHE  52           HB2      PHE  52  72.801 -12.799  78.569
  806    HB3  PHE  52           HB1      PHE  52  73.600 -11.253  78.285
  807    HD1  PHE  52           HD1      PHE  52  73.187 -14.703  76.894
  808    HD2  PHE  52           HD2      PHE  52  74.148 -10.590  76.106
  809    HE1  PHE  52           HE1      PHE  52  73.105 -15.134  74.453
  810    HE2  PHE  52           HE2      PHE  52  74.071 -11.035  73.672
  811    HZ   PHE  52           HZ       PHE  52  73.541 -13.308  72.848
  812    H    THR  53           HN       THR  53  75.705 -10.560  79.701
  813    HA   THR  53           HA       THR  53  74.449 -10.864  82.301
  814    HB   THR  53           HB       THR  53  76.371 -10.631  83.693
  815    HG1  THR  53           HG1      THR  53  77.505  -9.317  82.145
  816   HG21  THR  53          HG21      THR  53  75.914 -12.951  82.932
  817   HG22  THR  53          HG22      THR  53  77.604 -12.692  83.309
  818   HG23  THR  53          HG23      THR  53  77.072 -12.738  81.630
  819    H    VAL  54           HN       VAL  54  73.686  -8.819  82.982
  820    HA   VAL  54           HA       VAL  54  74.921  -6.441  81.678
  821    HB   VAL  54           HB       VAL  54  72.567  -6.864  81.034
  822   HG11  VAL  54          HG11      VAL  54  71.867  -6.306  83.921
  823   HG12  VAL  54          HG12      VAL  54  72.024  -7.941  83.289
  824   HG13  VAL  54          HG13      VAL  54  70.798  -6.856  82.635
  825   HG21  VAL  54          HG21      VAL  54  73.496  -4.529  81.187
  826   HG22  VAL  54          HG22      VAL  54  72.862  -4.423  82.829
  827   HG23  VAL  54          HG23      VAL  54  71.755  -4.594  81.466
  828    H    THR  55           HN       THR  55  76.000  -5.076  83.010
  829    HA   THR  55           HA       THR  55  75.375  -5.094  85.913
  830    HB   THR  55           HB       THR  55  77.566  -6.242  85.086
  831    HG1  THR  55           HG1      THR  55  77.309  -4.341  87.149
  832   HG21  THR  55          HG21      THR  55  79.451  -4.840  84.704
  833   HG22  THR  55          HG22      THR  55  78.578  -3.394  85.210
  834   HG23  THR  55          HG23      THR  55  78.176  -4.178  83.685
  835    H    GLU  56           HN       GLU  56  74.672  -3.150  86.687
  836    HA   GLU  56           HA       GLU  56  75.516  -0.691  85.250
  837    HB2  GLU  56           HB2      GLU  56  73.449   0.220  86.637
  838    HB3  GLU  56           HB1      GLU  56  73.197  -0.660  85.130
  839    HG2  GLU  56           HG2      GLU  56  72.841  -2.731  86.347
  840    HG3  GLU  56           HG1      GLU  56  73.174  -1.924  87.880
  841    H1   MET   1           HT1      MET   1  41.265 -35.582  79.406
  842    H2   MET   1           HT2      MET   1  42.781 -35.723  78.651
  843    H3   MET   1           HT3      MET   1  41.982 -34.224  78.685
  844    HA   MET   1           HA       MET   1  42.832 -35.659  81.122
  845    HB2  MET   1           HB2      MET   1  44.986 -34.981  80.778
  846    HB3  MET   1           HB1      MET   1  44.508 -34.563  79.145
  847    HG2  MET   1           HG2      MET   1  43.784 -32.273  80.154
  848    HG3  MET   1           HG1      MET   1  44.728 -32.762  81.558
  849    HE1  MET   1           HE1      MET   1  45.967 -31.707  77.369
  850    HE2  MET   1           HE2      MET   1  44.395 -32.217  77.976
  851    HE3  MET   1           HE3      MET   1  45.609 -33.419  77.553
  852    H    GLN   2           HN       GLN   2  43.318 -33.496  82.714
  853    HA   GLN   2           HA       GLN   2  40.798 -31.924  82.593
  854    HB2  GLN   2           HB2      GLN   2  42.198 -33.229  84.929
  855    HB3  GLN   2           HB1      GLN   2  41.006 -31.948  85.145
  856    HG2  GLN   2           HG2      GLN   2  39.274 -33.254  84.150
  857    HG3  GLN   2           HG1      GLN   2  40.424 -34.438  83.530
  858   HE21  GLN   2          HE21      GLN   2  38.573 -33.508  86.461
  859   HE22  GLN   2          HE22      GLN   2  39.086 -34.820  87.409
  860    H    TYR   3           HN       TYR   3  40.878 -29.809  82.946
  861    HA   TYR   3           HA       TYR   3  43.479 -28.534  83.578
  862    HB2  TYR   3           HB2      TYR   3  41.137 -27.453  82.009
  863    HB3  TYR   3           HB1      TYR   3  42.642 -26.605  82.351
  864    HD1  TYR   3           HD2      TYR   3  44.851 -27.889  81.687
  865    HD2  TYR   3           HD1      TYR   3  40.964 -28.677  80.038
  866    HE1  TYR   3           HE2      TYR   3  45.894 -28.917  79.684
  867    HE2  TYR   3           HE1      TYR   3  42.020 -29.698  78.045
  868    HH   TYR   3           HH       TYR   3  45.462 -29.513  77.503
  869    H    LYS   4           HN       LYS   4  43.462 -27.123  85.250
  870    HA   LYS   4           HA       LYS   4  40.833 -26.635  86.557
  871    HB2  LYS   4           HB2      LYS   4  42.485 -28.252  87.700
  872    HB3  LYS   4           HB1      LYS   4  43.452 -26.823  88.039
  873    HG2  LYS   4           HG2      LYS   4  42.115 -26.260  89.802
  874    HG3  LYS   4           HG1      LYS   4  40.679 -26.298  88.794
  875    HD2  LYS   4           HD2      LYS   4  40.689 -28.837  89.066
  876    HD3  LYS   4           HD1      LYS   4  41.950 -28.620  90.278
  877    HE2  LYS   4           HE2      LYS   4  39.302 -27.168  90.442
  878    HE3  LYS   4           HE1      LYS   4  39.544 -28.764  91.147
  879    HZ1  LYS   4           HZ1      LYS   4  41.237 -27.947  92.544
  880    HZ2  LYS   4           HZ2      LYS   4  39.947 -26.848  92.672
  881    HZ3  LYS   4           HZ3      LYS   4  41.308 -26.460  91.730
  882    H    LEU   5           HN       LEU   5  40.289 -24.559  86.842
  883    HA   LEU   5           HA       LEU   5  42.406 -22.507  86.535
  884    HB2  LEU   5           HB2      LEU   5  40.742 -22.408  84.777
  885    HB3  LEU   5           HB1      LEU   5  39.447 -22.429  85.941
  886    HG   LEU   5           HG       LEU   5  40.136 -20.184  84.768
  887   HD11  LEU   5          HD11      LEU   5  38.393 -20.310  86.431
  888   HD12  LEU   5          HD12      LEU   5  39.385 -18.882  86.704
  889   HD13  LEU   5          HD13      LEU   5  39.580 -20.294  87.730
  890   HD21  LEU   5          HD21      LEU   5  42.572 -20.441  85.619
  891   HD22  LEU   5          HD22      LEU   5  41.932 -19.847  87.134
  892   HD23  LEU   5          HD23      LEU   5  41.808 -18.868  85.692
  893    H    ILE   6           HN       ILE   6  42.853 -21.211  88.209
  894    HA   ILE   6           HA       ILE   6  41.209 -21.442  90.655
  895    HB   ILE   6           HB       ILE   6  43.879 -20.062  90.300
  896   HG12  ILE   6          HG12      ILE   6  44.118 -22.420  89.695
  897   HG13  ILE   6          HG11      ILE   6  44.861 -22.134  91.266
  898   HG21  ILE   6          HG21      ILE   6  42.648 -19.342  92.250
  899   HG22  ILE   6          HG22      ILE   6  43.957 -20.399  92.778
  900   HG23  ILE   6          HG23      ILE   6  42.305 -21.012  92.703
  901   HD11  ILE   6          HD11      ILE   6  42.574 -22.885  92.228
  902   HD12  ILE   6          HD12      ILE   6  43.635 -24.118  91.552
  903   HD13  ILE   6          HD13      ILE   6  42.271 -23.518  90.611
  904    H    LEU   7           HN       LEU   7  40.000 -19.805  91.318
  905    HA   LEU   7           HA       LEU   7  39.902 -17.399  89.652
  906    HB2  LEU   7           HB2      LEU   7  38.111 -18.550  91.786
  907    HB3  LEU   7           HB1      LEU   7  37.929 -16.885  91.257
  908    HG   LEU   7           HG       LEU   7  37.930 -18.052  88.824
  909   HD11  LEU   7          HD11      LEU   7  36.837 -20.169  90.699
  910   HD12  LEU   7          HD12      LEU   7  38.254 -20.330  89.662
  911   HD13  LEU   7          HD13      LEU   7  36.649 -20.173  88.947
  912   HD21  LEU   7          HD21      LEU   7  35.550 -18.019  90.699
  913   HD22  LEU   7          HD22      LEU   7  35.477 -18.036  88.938
  914   HD23  LEU   7          HD23      LEU   7  36.142 -16.636  89.777
  915    H    ASN   8           HN       ASN   8  41.228 -15.844  90.138
  916    HA   ASN   8           HA       ASN   8  41.474 -14.967  92.945
  917    HB2  ASN   8           HB2      ASN   8  43.539 -16.129  92.146
  918    HB3  ASN   8           HB1      ASN   8  43.648 -14.947  90.842
  919   HD21  ASN   8          HD21      ASN   8  45.563 -13.865  91.578
  920   HD22  ASN   8          HD22      ASN   8  45.621 -12.999  93.037
  921    H    GLY   9           HN       GLY   9  39.785 -13.486  92.464
  922    HA2  GLY   9           HA2      GLY   9  40.546 -11.304  90.598
  923    HA3  GLY   9           HA1      GLY   9  38.890 -11.856  90.795
  924    H    LYS  10           HN       LYS  10  38.420  -9.620  91.306
  925    HA   LYS  10           HA       LYS  10  39.534  -8.428  93.644
  926    HB2  LYS  10           HB2      LYS  10  36.853  -7.644  92.500
  927    HB3  LYS  10           HB1      LYS  10  38.069  -6.627  93.275
  928    HG2  LYS  10           HG2      LYS  10  39.580  -7.434  91.235
  929    HG3  LYS  10           HG1      LYS  10  38.018  -7.730  90.475
  930    HD2  LYS  10           HD2      LYS  10  37.365  -5.387  90.910
  931    HD3  LYS  10           HD1      LYS  10  38.934  -5.095  91.662
  932    HE2  LYS  10           HE2      LYS  10  40.079  -5.589  89.566
  933    HE3  LYS  10           HE1      LYS  10  38.550  -6.023  88.800
  934    HZ1  LYS  10           HZ1      LYS  10  39.322  -3.348  89.833
  935    HZ2  LYS  10           HZ2      LYS  10  37.777  -3.742  89.243
  936    HZ3  LYS  10           HZ3      LYS  10  39.124  -3.789  88.208
  937    H    THR  11           HN       THR  11  36.353 -10.070  93.063
  938    HA   THR  11           HA       THR  11  36.318 -10.736  95.946
  939    HB   THR  11           HB       THR  11  33.793 -10.452  95.805
  940    HG1  THR  11           HG1      THR  11  33.849  -8.558  93.960
  941   HG21  THR  11          HG21      THR  11  35.135  -8.886  97.022
  942   HG22  THR  11          HG22      THR  11  34.016  -7.949  96.033
  943   HG23  THR  11          HG23      THR  11  35.699  -8.124  95.535
  944    H    LEU  12           HN       LEU  12  36.135 -11.821  92.736
  945    HA   LEU  12           HA       LEU  12  34.520 -14.153  93.351
  946    HB2  LEU  12           HB2      LEU  12  35.082 -12.670  91.026
  947    HB3  LEU  12           HB1      LEU  12  35.916 -14.199  90.763
  948    HG   LEU  12           HG       LEU  12  32.987 -13.796  91.412
  949   HD11  LEU  12          HD11      LEU  12  33.685 -13.428  89.052
  950   HD12  LEU  12          HD12      LEU  12  32.627 -14.824  89.230
  951   HD13  LEU  12          HD13      LEU  12  34.359 -15.060  89.019
  952   HD21  LEU  12          HD21      LEU  12  34.757 -16.136  91.815
  953   HD22  LEU  12          HD22      LEU  12  33.318 -16.494  90.862
  954   HD23  LEU  12          HD23      LEU  12  33.156 -15.802  92.471
  955    H    LYS  13           HN       LYS  13  35.457 -15.751  94.500
  956    HA   LYS  13           HA       LYS  13  38.076 -16.751  93.582
  957    HB2  LYS  13           HB2      LYS  13  37.377 -16.045  96.440
  958    HB3  LYS  13           HB1      LYS  13  38.684 -17.144  96.024
  959    HG2  LYS  13           HG2      LYS  13  39.995 -15.271  95.942
  960    HG3  LYS  13           HG1      LYS  13  39.257 -14.993  94.371
  961    HD2  LYS  13           HD2      LYS  13  37.366 -13.815  95.866
  962    HD3  LYS  13           HD1      LYS  13  38.705 -13.650  97.002
  963    HE2  LYS  13           HE2      LYS  13  38.779 -11.676  95.690
  964    HE3  LYS  13           HE1      LYS  13  40.038 -12.710  95.008
  965    HZ1  LYS  13           HZ1      LYS  13  38.880 -13.027  93.121
  966    HZ2  LYS  13           HZ2      LYS  13  38.117 -11.574  93.556
  967    HZ3  LYS  13           HZ3      LYS  13  37.380 -13.062  93.906
  968    H    GLY  14           HN       GLY  14  38.282 -18.864  93.539
  969    HA2  GLY  14           HA2      GLY  14  37.111 -20.813  95.107
  970    HA3  GLY  14           HA1      GLY  14  35.996 -20.544  93.766
  971    H    GLU  15           HN       GLU  15  36.469 -22.716  92.933
  972    HA   GLU  15           HA       GLU  15  39.040 -22.846  91.457
  973    HB2  GLU  15           HB2      GLU  15  37.545 -25.245  92.530
  974    HB3  GLU  15           HB1      GLU  15  39.121 -25.223  91.735
  975    HG2  GLU  15           HG2      GLU  15  38.563 -23.750  94.301
  976    HG3  GLU  15           HG1      GLU  15  39.153 -25.406  94.255
  977    H    THR  16           HN       THR  16  38.875 -24.074  89.435
  978    HA   THR  16           HA       THR  16  36.165 -24.641  88.479
  979    HB   THR  16           HB       THR  16  37.395 -23.199  86.351
  980    HG1  THR  16           HG1      THR  16  37.791 -22.119  88.891
  981   HG21  THR  16          HG21      THR  16  35.501 -21.670  86.675
  982   HG22  THR  16          HG22      THR  16  35.175 -22.416  88.238
  983   HG23  THR  16          HG23      THR  16  34.997 -23.357  86.757
  984    H    THR  17           HN       THR  17  36.118 -26.258  86.955
  985    HA   THR  17           HA       THR  17  38.650 -27.034  85.704
  986    HB   THR  17           HB       THR  17  37.088 -29.200  87.079
  987    HG1  THR  17           HG1      THR  17  37.790 -27.374  88.509
  988   HG21  THR  17          HG21      THR  17  40.063 -28.967  86.650
  989   HG22  THR  17          HG22      THR  17  39.004 -29.528  85.358
  990   HG23  THR  17          HG23      THR  17  39.094 -30.419  86.868
  991    H    THR  18           HN       THR  18  38.469 -28.534  84.006
  992    HA   THR  18           HA       THR  18  35.870 -29.285  83.011
  993    HB   THR  18           HB       THR  18  36.237 -26.879  82.257
  994    HG1  THR  18           HG1      THR  18  35.879 -27.629  79.949
  995   HG21  THR  18          HG21      THR  18  37.908 -26.350  80.718
  996   HG22  THR  18          HG22      THR  18  38.154 -28.032  80.253
  997   HG23  THR  18          HG23      THR  18  38.764 -27.450  81.801
  998    H    GLU  19           HN       GLU  19  36.042 -30.795  81.277
  999    HA   GLU  19           HA       GLU  19  38.656 -32.179  81.171
 1000    HB2  GLU  19           HB2      GLU  19  36.611 -33.415  81.958
 1001    HB3  GLU  19           HB1      GLU  19  35.897 -33.148  80.372
 1002    HG2  GLU  19           HG2      GLU  19  36.826 -35.234  79.992
 1003    HG3  GLU  19           HG1      GLU  19  38.212 -34.247  79.548
 1004    H    ALA  20           HN       ALA  20  39.826 -31.542  79.453
 1005    HA   ALA  20           HA       ALA  20  38.579 -31.596  76.782
 1006    HB1  ALA  20           HB1      ALA  20  38.595 -29.299  76.801
 1007    HB2  ALA  20           HB2      ALA  20  40.314 -29.493  76.478
 1008    HB3  ALA  20           HB3      ALA  20  39.752 -29.222  78.125
 1009    H    VAL  21           HN       VAL  21  40.160 -31.723  75.062
 1010    HA   VAL  21           HA       VAL  21  42.324 -33.522  75.726
 1011    HB   VAL  21           HB       VAL  21  41.255 -34.146  73.734
 1012   HG11  VAL  21          HG11      VAL  21  39.779 -32.291  73.425
 1013   HG12  VAL  21          HG12      VAL  21  40.730 -32.400  71.947
 1014   HG13  VAL  21          HG13      VAL  21  41.117 -31.178  73.152
 1015   HG21  VAL  21          HG21      VAL  21  43.798 -33.698  73.471
 1016   HG22  VAL  21          HG22      VAL  21  43.317 -32.275  72.547
 1017   HG23  VAL  21          HG23      VAL  21  42.848 -33.883  71.997
 1018    H    ASP  22           HN       ASP  22  41.823 -30.262  74.488
 1019    HA   ASP  22           HA       ASP  22  44.748 -29.782  74.584
 1020    HB2  ASP  22           HB2      ASP  22  43.510 -29.378  72.440
 1021    HB3  ASP  22           HB1      ASP  22  42.655 -28.073  73.259
 1022    H    ALA  23           HN       ALA  23  45.559 -27.843  75.363
 1023    HA   ALA  23           HA       ALA  23  44.371 -26.960  77.823
 1024    HB1  ALA  23           HB1      ALA  23  46.721 -27.051  77.836
 1025    HB2  ALA  23           HB2      ALA  23  46.370 -25.329  77.705
 1026    HB3  ALA  23           HB3      ALA  23  46.851 -26.243  76.277
 1027    H    ALA  24           HN       ALA  24  45.038 -25.450  74.672
 1028    HA   ALA  24           HA       ALA  24  44.006 -22.899  75.308
 1029    HB1  ALA  24           HB1      ALA  24  45.442 -23.645  73.265
 1030    HB2  ALA  24           HB2      ALA  24  44.234 -22.382  73.029
 1031    HB3  ALA  24           HB3      ALA  24  43.892 -24.035  72.520
 1032    H    THR  25           HN       THR  25  42.304 -25.834  73.886
 1033    HA   THR  25           HA       THR  25  39.863 -24.542  73.330
 1034    HB   THR  25           HB       THR  25  40.670 -26.977  72.724
 1035    HG1  THR  25           HG1      THR  25  38.456 -25.701  72.614
 1036   HG21  THR  25          HG21      THR  25  40.565 -27.569  75.296
 1037   HG22  THR  25          HG22      THR  25  40.021 -28.753  74.110
 1038   HG23  THR  25          HG23      THR  25  38.842 -27.774  74.985
 1039    H    ALA  26           HN       ALA  26  41.128 -25.926  76.332
 1040    HA   ALA  26           HA       ALA  26  38.696 -25.774  77.807
 1041    HB1  ALA  26           HB1      ALA  26  39.964 -26.470  79.648
 1042    HB2  ALA  26           HB2      ALA  26  41.417 -25.647  79.086
 1043    HB3  ALA  26           HB3      ALA  26  40.872 -27.121  78.286
 1044    H    GLU  27           HN       GLU  27  41.353 -23.599  77.263
 1045    HA   GLU  27           HA       GLU  27  40.778 -21.656  79.226
 1046    HB2  GLU  27           HB2      GLU  27  42.685 -20.702  78.419
 1047    HB3  GLU  27           HB1      GLU  27  42.784 -22.087  77.338
 1048    HG2  GLU  27           HG2      GLU  27  41.373 -20.781  75.681
 1049    HG3  GLU  27           HG1      GLU  27  41.535 -19.389  76.739
 1050    H    LYS  28           HN       LYS  28  39.468 -22.208  76.030
 1051    HA   LYS  28           HA       LYS  28  38.466 -19.674  75.454
 1052    HB2  LYS  28           HB2      LYS  28  37.209 -22.367  74.858
 1053    HB3  LYS  28           HB1      LYS  28  36.752 -20.844  74.095
 1054    HG2  LYS  28           HG2      LYS  28  39.228 -20.624  73.437
 1055    HG3  LYS  28           HG1      LYS  28  39.376 -22.323  73.880
 1056    HD2  LYS  28           HD2      LYS  28  37.556 -21.141  71.754
 1057    HD3  LYS  28           HD1      LYS  28  38.920 -22.230  71.498
 1058    HE2  LYS  28           HE2      LYS  28  37.629 -23.890  73.038
 1059    HE3  LYS  28           HE1      LYS  28  36.232 -22.859  72.757
 1060    HZ1  LYS  28           HZ1      LYS  28  37.115 -24.959  71.079
 1061    HZ2  LYS  28           HZ2      LYS  28  37.495 -23.540  70.226
 1062    HZ3  LYS  28           HZ3      LYS  28  35.895 -23.834  70.712
 1063    H    VAL  29           HN       VAL  29  37.009 -22.284  77.357
 1064    HA   VAL  29           HA       VAL  29  34.624 -20.830  77.945
 1065    HB   VAL  29           HB       VAL  29  35.806 -23.080  79.577
 1066   HG11  VAL  29          HG11      VAL  29  32.964 -22.178  79.010
 1067   HG12  VAL  29          HG12      VAL  29  33.842 -21.927  80.519
 1068   HG13  VAL  29          HG13      VAL  29  33.419 -23.561  80.006
 1069   HG21  VAL  29          HG21      VAL  29  34.212 -23.166  76.996
 1070   HG22  VAL  29          HG22      VAL  29  34.460 -24.561  78.047
 1071   HG23  VAL  29          HG23      VAL  29  35.839 -23.797  77.256
 1072    H    PHE  30           HN       PHE  30  37.536 -21.572  79.855
 1073    HA   PHE  30           HA       PHE  30  36.860 -20.153  82.161
 1074    HB2  PHE  30           HB2      PHE  30  39.584 -20.763  81.039
 1075    HB3  PHE  30           HB1      PHE  30  39.264 -20.219  82.675
 1076    HD1  PHE  30           HD2      PHE  30  37.029 -21.745  83.676
 1077    HD2  PHE  30           HD1      PHE  30  40.151 -23.020  81.000
 1078    HE1  PHE  30           HE2      PHE  30  36.658 -24.090  84.348
 1079    HE2  PHE  30           HE1      PHE  30  39.786 -25.358  81.703
 1080    HZ   PHE  30           HZ       PHE  30  38.040 -25.896  83.377
 1081    H    LYS  31           HN       LYS  31  38.788 -19.025  79.345
 1082    HA   LYS  31           HA       LYS  31  39.327 -16.494  80.547
 1083    HB2  LYS  31           HB2      LYS  31  39.552 -17.580  77.751
 1084    HB3  LYS  31           HB1      LYS  31  39.670 -15.840  77.999
 1085    HG2  LYS  31           HG2      LYS  31  41.445 -16.363  79.784
 1086    HG3  LYS  31           HG1      LYS  31  41.456 -18.003  79.136
 1087    HD2  LYS  31           HD2      LYS  31  42.074 -17.167  76.936
 1088    HD3  LYS  31           HD1      LYS  31  41.923 -15.505  77.490
 1089    HE2  LYS  31           HE2      LYS  31  43.773 -15.765  79.006
 1090    HE3  LYS  31           HE1      LYS  31  43.844 -17.502  78.699
 1091    HZ1  LYS  31           HZ1      LYS  31  43.969 -16.373  76.223
 1092    HZ2  LYS  31           HZ2      LYS  31  45.280 -17.007  77.099
 1093    HZ3  LYS  31           HZ3      LYS  31  44.929 -15.346  77.173
 1094    H    GLN  32           HN       GLN  32  36.888 -17.571  78.195
 1095    HA   GLN  32           HA       GLN  32  35.622 -15.043  77.956
 1096    HB2  GLN  32           HB2      GLN  32  35.408 -17.009  76.386
 1097    HB3  GLN  32           HB1      GLN  32  34.359 -17.760  77.589
 1098    HG2  GLN  32           HG2      GLN  32  32.872 -15.772  77.501
 1099    HG3  GLN  32           HG1      GLN  32  33.897 -15.083  76.244
 1100   HE21  GLN  32          HE21      GLN  32  31.024 -16.819  76.653
 1101   HE22  GLN  32          HE22      GLN  32  30.975 -17.613  75.153
 1102    H    TYR  33           HN       TYR  33  35.299 -17.754  80.148
 1103    HA   TYR  33           HA       TYR  33  32.862 -16.988  81.358
 1104    HB2  TYR  33           HB2      TYR  33  33.576 -19.241  81.562
 1105    HB3  TYR  33           HB1      TYR  33  35.156 -18.747  82.168
 1106    HD1  TYR  33           HD2      TYR  33  31.523 -18.678  82.943
 1107    HD2  TYR  33           HD1      TYR  33  35.529 -18.420  84.475
 1108    HE1  TYR  33           HE2      TYR  33  30.641 -18.722  85.261
 1109    HE2  TYR  33           HE1      TYR  33  34.645 -18.465  86.790
 1110    HH   TYR  33           HH       TYR  33  32.758 -18.235  88.042
 1111    H    ALA  34           HN       ALA  34  36.275 -16.414  82.192
 1112    HA   ALA  34           HA       ALA  34  35.854 -15.195  84.683
 1113    HB1  ALA  34           HB1      ALA  34  38.125 -14.933  84.664
 1114    HB2  ALA  34           HB2      ALA  34  38.102 -14.080  83.119
 1115    HB3  ALA  34           HB3      ALA  34  38.063 -15.840  83.155
 1116    H    ASN  35           HN       ASN  35  35.732 -13.798  81.360
 1117    HA   ASN  35           HA       ASN  35  35.562 -11.111  82.272
 1118    HB2  ASN  35           HB2      ASN  35  36.140 -12.147  79.906
 1119    HB3  ASN  35           HB1      ASN  35  34.403 -12.008  79.651
 1120   HD21  ASN  35          HD21      ASN  35  36.887  -9.818  81.251
 1121   HD22  ASN  35          HD22      ASN  35  36.401  -8.440  80.387
 1122    H    ASP  36           HN       ASP  36  33.176 -13.534  81.198
 1123    HA   ASP  36           HA       ASP  36  30.893 -11.900  81.524
 1124    HB2  ASP  36           HB2      ASP  36  30.881 -14.900  81.701
 1125    HB3  ASP  36           HB1      ASP  36  29.653 -13.827  81.029
 1126    H    ASN  37           HN       ASN  37  32.704 -13.821  83.881
 1127    HA   ASN  37           HA       ASN  37  30.457 -13.791  85.737
 1128    HB2  ASN  37           HB2      ASN  37  31.780 -15.185  87.114
 1129    HB3  ASN  37           HB1      ASN  37  31.998 -15.734  85.458
 1130   HD21  ASN  37          HD21      ASN  37  34.043 -16.598  86.901
 1131   HD22  ASN  37          HD22      ASN  37  35.419 -15.613  86.768
 1132    H    GLY  38           HN       GLY  38  33.374 -11.848  85.210
 1133    HA2  GLY  38           HA2      GLY  38  33.022  -9.569  86.238
 1134    HA3  GLY  38           HA1      GLY  38  32.798 -10.415  87.756
 1135    H    VAL  39           HN       VAL  39  35.199 -12.216  86.469
 1136    HA   VAL  39           HA       VAL  39  37.321 -10.393  87.499
 1137    HB   VAL  39           HB       VAL  39  37.122 -12.082  89.122
 1138   HG11  VAL  39          HG11      VAL  39  37.014 -14.115  86.882
 1139   HG12  VAL  39          HG12      VAL  39  35.635 -13.556  87.818
 1140   HG13  VAL  39          HG13      VAL  39  36.917 -14.462  88.608
 1141   HG21  VAL  39          HG21      VAL  39  39.189 -13.302  89.007
 1142   HG22  VAL  39          HG22      VAL  39  39.463 -11.770  88.181
 1143   HG23  VAL  39          HG23      VAL  39  39.198 -13.238  87.248
 1144    H    ASP  40           HN       ASP  40  38.429  -9.648  85.850
 1145    HA   ASP  40           HA       ASP  40  39.492 -11.553  83.838
 1146    HB2  ASP  40           HB2      ASP  40  37.651  -9.902  83.034
 1147    HB3  ASP  40           HB1      ASP  40  38.888  -8.662  83.207
 1148    H    GLY  41           HN       GLY  41  41.691 -11.722  84.370
 1149    HA2  GLY  41           HA2      GLY  41  43.170  -9.176  84.689
 1150    HA3  GLY  41           HA1      GLY  41  43.335 -10.412  85.923
 1151    H    GLU  42           HN       GLU  42  45.644 -10.555  85.484
 1152    HA   GLU  42           HA       GLU  42  46.577 -11.242  82.891
 1153    HB2  GLU  42           HB2      GLU  42  48.160 -11.747  85.384
 1154    HB3  GLU  42           HB1      GLU  42  48.705 -11.156  83.817
 1155    HG2  GLU  42           HG2      GLU  42  47.121  -9.624  85.898
 1156    HG3  GLU  42           HG1      GLU  42  48.764  -9.295  85.361
 1157    H    TRP  43           HN       TRP  43  47.401 -13.306  82.255
 1158    HA   TRP  43           HA       TRP  43  46.233 -15.574  83.778
 1159    HB2  TRP  43           HB2      TRP  43  46.451 -15.104  80.819
 1160    HB3  TRP  43           HB1      TRP  43  45.972 -16.640  81.538
 1161    HD1  TRP  43           HD1      TRP  43  44.711 -13.005  81.142
 1162    HE1  TRP  43           HE1      TRP  43  42.173 -13.017  81.609
 1163    HE3  TRP  43           HE3      TRP  43  44.160 -17.811  82.644
 1164    HZ2  TRP  43           HZ2      TRP  43  40.172 -14.867  82.481
 1165    HZ3  TRP  43           HZ3      TRP  43  41.953 -18.687  83.273
 1166    HH2  TRP  43           HH2      TRP  43  39.949 -17.233  83.199
 1167    H    THR  44           HN       THR  44  47.234 -17.311  83.988
 1168    HA   THR  44           HA       THR  44  49.810 -17.835  82.734
 1169    HB   THR  44           HB       THR  44  50.583 -17.585  84.887
 1170    HG1  THR  44           HG1      THR  44  50.229 -19.657  86.006
 1171   HG21  THR  44          HG21      THR  44  48.485 -16.755  85.786
 1172   HG22  THR  44          HG22      THR  44  49.153 -17.981  86.859
 1173   HG23  THR  44          HG23      THR  44  47.820 -18.391  85.774
 1174    H    TYR  45           HN       TYR  45  50.225 -20.226  82.289
 1175    HA   TYR  45           HA       TYR  45  47.810 -21.797  82.846
 1176    HB2  TYR  45           HB2      TYR  45  47.287 -21.334  80.611
 1177    HB3  TYR  45           HB1      TYR  45  48.973 -21.482  80.101
 1178    HD1  TYR  45           HD2      TYR  45  46.913 -23.722  82.347
 1179    HD2  TYR  45           HD1      TYR  45  49.099 -23.336  78.668
 1180    HE1  TYR  45           HE2      TYR  45  46.698 -26.140  81.970
 1181    HE2  TYR  45           HE1      TYR  45  48.894 -25.776  78.304
 1182    HH   TYR  45           HH       TYR  45  48.060 -27.679  79.061
 1183    H    ASP  46           HN       ASP  46  48.498 -23.294  84.121
 1184    HA   ASP  46           HA       ASP  46  51.197 -24.253  83.714
 1185    HB2  ASP  46           HB2      ASP  46  50.266 -23.886  86.078
 1186    HB3  ASP  46           HB1      ASP  46  49.228 -25.284  85.766
 1187    H    ASP  47           HN       ASP  47  51.541 -25.635  82.145
 1188    HA   ASP  47           HA       ASP  47  49.397 -27.599  81.532
 1189    HB2  ASP  47           HB2      ASP  47  50.829 -26.181  79.765
 1190    HB3  ASP  47           HB1      ASP  47  51.964 -27.512  79.986
 1191    H    ALA  48           HN       ALA  48  52.157 -27.047  83.204
 1192    HA   ALA  48           HA       ALA  48  53.446 -29.563  83.145
 1193    HB1  ALA  48           HB1      ALA  48  54.889 -28.518  84.676
 1194    HB2  ALA  48           HB2      ALA  48  53.598 -27.547  85.381
 1195    HB3  ALA  48           HB3      ALA  48  54.233 -27.146  83.785
 1196    H    THR  49           HN       THR  49  50.764 -28.181  84.923
 1197    HA   THR  49           HA       THR  49  50.214 -30.699  86.343
 1198    HB   THR  49           HB       THR  49  49.177 -29.052  88.143
 1199    HG1  THR  49           HG1      THR  49  51.310 -27.408  87.497
 1200   HG21  THR  49          HG21      THR  49  50.977 -30.549  88.700
 1201   HG22  THR  49          HG22      THR  49  51.374 -28.950  89.329
 1202   HG23  THR  49          HG23      THR  49  52.143 -29.533  87.853
 1203    H    LYS  50           HN       LYS  50  49.320 -28.628  83.951
 1204    HA   LYS  50           HA       LYS  50  47.362 -28.160  82.857
 1205    HB2  LYS  50           HB2      LYS  50  46.016 -30.267  84.542
 1206    HB3  LYS  50           HB1      LYS  50  45.646 -29.784  82.889
 1207    HG2  LYS  50           HG2      LYS  50  48.183 -31.199  83.772
 1208    HG3  LYS  50           HG1      LYS  50  46.822 -31.960  82.955
 1209    HD2  LYS  50           HD2      LYS  50  47.151 -30.356  81.048
 1210    HD3  LYS  50           HD1      LYS  50  48.605 -29.776  81.850
 1211    HE2  LYS  50           HE2      LYS  50  49.717 -31.839  81.615
 1212    HE3  LYS  50           HE1      LYS  50  48.226 -32.701  81.242
 1213    HZ1  LYS  50           HZ1      LYS  50  49.985 -31.357  79.488
 1214    HZ2  LYS  50           HZ2      LYS  50  48.439 -30.658  79.391
 1215    HZ3  LYS  50           HZ3      LYS  50  48.641 -32.322  79.114
 1216    H    THR  51           HN       THR  51  47.929 -26.384  84.864
 1217    HA   THR  51           HA       THR  51  45.232 -25.849  85.978
 1218    HB   THR  51           HB       THR  51  47.840 -25.713  87.519
 1219    HG1  THR  51           HG1      THR  51  46.449 -27.015  88.936
 1220   HG21  THR  51          HG21      THR  51  46.657 -23.708  88.110
 1221   HG22  THR  51          HG22      THR  51  46.332 -24.872  89.393
 1222   HG23  THR  51          HG23      THR  51  45.113 -24.560  88.156
 1223    H    PHE  52           HN       PHE  52  44.449 -23.815  85.560
 1224    HA   PHE  52           HA       PHE  52  46.285 -21.740  84.539
 1225    HB2  PHE  52           HB2      PHE  52  43.299 -22.149  84.370
 1226    HB3  PHE  52           HB1      PHE  52  44.121 -20.718  83.757
 1227    HD1  PHE  52           HD1      PHE  52  44.107 -24.465  83.494
 1228    HD2  PHE  52           HD2      PHE  52  44.895 -20.709  81.556
 1229    HE1  PHE  52           HE1      PHE  52  44.428 -25.630  81.324
 1230    HE2  PHE  52           HE2      PHE  52  45.215 -21.884  79.402
 1231    HZ   PHE  52           HZ       PHE  52  44.971 -24.344  79.286
 1232    H    THR  53           HN       THR  53  45.861 -19.473  85.302
 1233    HA   THR  53           HA       THR  53  44.093 -19.173  87.587
 1234    HB   THR  53           HB       THR  53  45.619 -18.448  89.227
 1235    HG1  THR  53           HG1      THR  53  46.949 -17.443  87.463
 1236   HG21  THR  53          HG21      THR  53  45.603 -20.903  89.015
 1237   HG22  THR  53          HG22      THR  53  47.156 -20.323  89.582
 1238   HG23  THR  53          HG23      THR  53  46.958 -20.823  87.903
 1239    H    VAL  54           HN       VAL  54  43.126 -17.112  87.495
 1240    HA   VAL  54           HA       VAL  54  44.497 -15.110  85.796
 1241    HB   VAL  54           HB       VAL  54  42.334 -15.922  84.902
 1242   HG11  VAL  54          HG11      VAL  54  41.103 -14.529  87.287
 1243   HG12  VAL  54          HG12      VAL  54  41.343 -16.273  87.216
 1244   HG13  VAL  54          HG13      VAL  54  40.278 -15.480  86.055
 1245   HG21  VAL  54          HG21      VAL  54  43.216 -13.600  84.470
 1246   HG22  VAL  54          HG22      VAL  54  42.246 -13.025  85.826
 1247   HG23  VAL  54          HG23      VAL  54  41.457 -13.699  84.400
 1248    H    THR  55           HN       THR  55  45.185 -13.279  86.751
 1249    HA   THR  55           HA       THR  55  44.050 -12.508  89.382
 1250    HB   THR  55           HB       THR  55  46.441 -13.571  89.281
 1251    HG1  THR  55           HG1      THR  55  45.627 -11.231  90.608
 1252   HG21  THR  55          HG21      THR  55  48.241 -12.086  88.783
 1253   HG22  THR  55          HG22      THR  55  47.167 -10.698  88.655
 1254   HG23  THR  55          HG23      THR  55  47.137 -11.956  87.423
 1255    H    GLU  56           HN       GLU  56  43.114 -10.511  89.396
 1256    HA   GLU  56           HA       GLU  56  44.016  -8.525  87.379
 1257    HB2  GLU  56           HB2      GLU  56  41.658  -7.514  88.076
 1258    HB3  GLU  56           HB1      GLU  56  41.766  -8.817  86.893
 1259    HG2  GLU  56           HG2      GLU  56  41.332 -10.478  88.610
 1260    HG3  GLU  56           HG1      GLU  56  41.320  -9.231  89.859
 1261    H1   MET   1           HT1      MET   1  63.985 -16.346  99.465
 1262    H2   MET   1           HT2      MET   1  62.374 -16.535  98.964
 1263    H3   MET   1           HT3      MET   1  63.305 -17.897  99.365
 1264    HA   MET   1           HA       MET   1  62.639 -15.749 101.279
 1265    HB2  MET   1           HB2      MET   1  60.570 -16.646 101.532
 1266    HB3  MET   1           HB1      MET   1  60.884 -17.591 100.102
 1267    HG2  MET   1           HG2      MET   1  61.995 -19.318 101.684
 1268    HG3  MET   1           HG1      MET   1  61.254 -18.405 102.997
 1269    HE1  MET   1           HE1      MET   1  59.467 -20.832  99.671
 1270    HE2  MET   1           HE2      MET   1  60.956 -19.893  99.696
 1271    HE3  MET   1           HE3      MET   1  59.420 -19.113  99.346
 1272    H    GLN   2           HN       GLN   2  62.657 -17.086 103.545
 1273    HA   GLN   2           HA       GLN   2  65.272 -18.488 103.596
 1274    HB2  GLN   2           HB2      GLN   2  64.085 -16.437 105.473
 1275    HB3  GLN   2           HB1      GLN   2  65.445 -17.462 105.925
 1276    HG2  GLN   2           HG2      GLN   2  66.832 -16.549 104.208
 1277    HG3  GLN   2           HG1      GLN   2  65.463 -15.770 103.418
 1278   HE21  GLN   2          HE21      GLN   2  67.880 -15.332 106.015
 1279   HE22  GLN   2          HE22      GLN   2  67.335 -13.802 106.508
 1280    H    TYR   3           HN       TYR   3  65.424 -20.316 104.655
 1281    HA   TYR   3           HA       TYR   3  63.125 -21.311 106.243
 1282    HB2  TYR   3           HB2      TYR   3  65.250 -22.872 104.769
 1283    HB3  TYR   3           HB1      TYR   3  63.910 -23.544 105.695
 1284    HD1  TYR   3           HD2      TYR   3  61.515 -22.812 105.022
 1285    HD2  TYR   3           HD1      TYR   3  64.969 -22.363 102.506
 1286    HE1  TYR   3           HE2      TYR   3  60.052 -22.670 103.025
 1287    HE2  TYR   3           HE1      TYR   3  63.498 -22.212 100.519
 1288    HH   TYR   3           HH       TYR   3  60.096 -22.900 100.710
 1289    H    LYS   4           HN       LYS   4  63.599 -21.942 108.285
 1290    HA   LYS   4           HA       LYS   4  66.454 -21.757 109.115
 1291    HB2  LYS   4           HB2      LYS   4  64.832 -19.897 109.853
 1292    HB3  LYS   4           HB1      LYS   4  64.109 -21.111 110.899
 1293    HG2  LYS   4           HG2      LYS   4  65.774 -20.876 112.442
 1294    HG3  LYS   4           HG1      LYS   4  67.015 -21.154 111.232
 1295    HD2  LYS   4           HD2      LYS   4  66.727 -18.720 110.527
 1296    HD3  LYS   4           HD1      LYS   4  65.705 -18.511 111.946
 1297    HE2  LYS   4           HE2      LYS   4  68.506 -19.633 112.143
 1298    HE3  LYS   4           HE1      LYS   4  68.181 -17.902 112.218
 1299    HZ1  LYS   4           HZ1      LYS   4  66.827 -18.192 114.114
 1300    HZ2  LYS   4           HZ2      LYS   4  68.258 -19.061 114.408
 1301    HZ3  LYS   4           HZ3      LYS   4  66.838 -19.881 113.964
 1302    H    LEU   5           HN       LEU   5  67.292 -23.515 110.068
 1303    HA   LEU   5           HA       LEU   5  65.429 -25.619 111.008
 1304    HB2  LEU   5           HB2      LEU   5  66.794 -26.318 109.127
 1305    HB3  LEU   5           HB1      LEU   5  68.243 -25.771 109.923
 1306    HG   LEU   5           HG       LEU   5  67.662 -28.328 109.847
 1307   HD11  LEU   5          HD11      LEU   5  69.615 -27.472 110.969
 1308   HD12  LEU   5          HD12      LEU   5  68.855 -28.716 111.956
 1309   HD13  LEU   5          HD13      LEU   5  68.659 -27.022 112.376
 1310   HD21  LEU   5          HD21      LEU   5  65.377 -27.887 110.972
 1311   HD22  LEU   5          HD22      LEU   5  66.304 -27.776 112.455
 1312   HD23  LEU   5          HD23      LEU   5  66.334 -29.250 111.516
 1313    H    ILE   6           HN       ILE   6  65.425 -26.156 113.108
 1314    HA   ILE   6           HA       ILE   6  67.411 -24.887 114.895
 1315    HB   ILE   6           HB       ILE   6  64.912 -26.419 115.653
 1316   HG12  ILE   6          HG12      ILE   6  64.265 -24.511 114.269
 1317   HG13  ILE   6          HG11      ILE   6  63.862 -24.181 115.951
 1318   HG21  ILE   6          HG21      ILE   6  66.529 -26.245 117.434
 1319   HG22  ILE   6          HG22      ILE   6  65.215 -25.119 117.773
 1320   HG23  ILE   6          HG23      ILE   6  66.745 -24.522 117.130
 1321   HD11  ILE   6          HD11      ILE   6  66.168 -23.005 116.042
 1322   HD12  ILE   6          HD12      ILE   6  64.860 -22.192 115.189
 1323   HD13  ILE   6          HD13      ILE   6  66.100 -23.056 114.282
 1324    H    LEU   7           HN       LEU   7  68.903 -26.069 115.877
 1325    HA   LEU   7           HA       LEU   7  69.016 -28.930 115.264
 1326    HB2  LEU   7           HB2      LEU   7  70.980 -26.944 116.399
 1327    HB3  LEU   7           HB1      LEU   7  71.275 -28.672 116.514
 1328    HG   LEU   7           HG       LEU   7  70.729 -28.560 113.872
 1329   HD11  LEU   7          HD11      LEU   7  71.851 -25.825 114.547
 1330   HD12  LEU   7          HD12      LEU   7  70.269 -26.153 113.838
 1331   HD13  LEU   7          HD13      LEU   7  71.736 -26.503 112.924
 1332   HD21  LEU   7          HD21      LEU   7  73.372 -27.733 115.100
 1333   HD22  LEU   7          HD22      LEU   7  73.149 -28.414 113.490
 1334   HD23  LEU   7          HD23      LEU   7  72.812 -29.396 114.914
 1335    H    ASN   8           HN       ASN   8  67.981 -30.223 116.557
 1336    HA   ASN   8           HA       ASN   8  68.302 -29.921 119.477
 1337    HB2  ASN   8           HB2      ASN   8  66.008 -29.280 118.702
 1338    HB3  ASN   8           HB1      ASN   8  65.840 -30.894 118.014
 1339   HD21  ASN   8          HD21      ASN   8  64.213 -31.672 119.474
 1340   HD22  ASN   8          HD22      ASN   8  64.497 -31.872 121.135
 1341    H    GLY   9           HN       GLY   9  70.060 -31.385 119.281
 1342    HA2  GLY   9           HA2      GLY   9  69.284 -34.163 118.579
 1343    HA3  GLY   9           HA1      GLY   9  70.871 -33.497 118.225
 1344    H    LYS  10           HN       LYS  10  71.692 -35.310 119.448
 1345    HA   LYS  10           HA       LYS  10  71.118 -35.525 122.234
 1346    HB2  LYS  10           HB2      LYS  10  73.644 -36.583 120.964
 1347    HB3  LYS  10           HB1      LYS  10  72.707 -37.260 122.297
 1348    HG2  LYS  10           HG2      LYS  10  70.787 -37.401 120.459
 1349    HG3  LYS  10           HG1      LYS  10  72.148 -37.357 119.339
 1350    HD2  LYS  10           HD2      LYS  10  73.151 -39.300 120.494
 1351    HD3  LYS  10           HD1      LYS  10  71.772 -39.349 121.594
 1352    HE2  LYS  10           HE2      LYS  10  70.252 -39.779 119.738
 1353    HE3  LYS  10           HE1      LYS  10  71.571 -39.608 118.580
 1354    HZ1  LYS  10           HZ1      LYS  10  71.329 -41.687 120.685
 1355    HZ2  LYS  10           HZ2      LYS  10  72.677 -41.491 119.671
 1356    HZ3  LYS  10           HZ3      LYS  10  71.171 -41.922 119.014
 1357    H    THR  11           HN       THR  11  73.932 -34.109 120.442
 1358    HA   THR  11           HA       THR  11  74.373 -32.350 122.779
 1359    HB   THR  11           HB       THR  11  76.853 -32.554 122.251
 1360    HG1  THR  11           HG1      THR  11  76.707 -35.028 121.316
 1361   HG21  THR  11          HG21      THR  11  75.935 -33.568 124.216
 1362   HG22  THR  11          HG22      THR  11  76.977 -34.769 123.454
 1363   HG23  THR  11          HG23      THR  11  75.225 -34.881 123.278
 1364    H    LEU  12           HN       LEU  12  73.888 -32.629 119.431
 1365    HA   LEU  12           HA       LEU  12  75.283 -30.172 118.771
 1366    HB2  LEU  12           HB2      LEU  12  74.530 -32.483 117.353
 1367    HB3  LEU  12           HB1      LEU  12  73.483 -31.228 116.698
 1368    HG   LEU  12           HG       LEU  12  76.506 -31.197 116.851
 1369   HD11  LEU  12          HD11      LEU  12  75.472 -32.511 115.005
 1370   HD12  LEU  12          HD12      LEU  12  76.375 -31.119 114.420
 1371   HD13  LEU  12          HD13      LEU  12  74.617 -31.058 114.481
 1372   HD21  LEU  12          HD21      LEU  12  74.552 -28.980 116.673
 1373   HD22  LEU  12          HD22      LEU  12  75.757 -28.964 115.388
 1374   HD23  LEU  12          HD23      LEU  12  76.268 -28.947 117.070
 1375    H    LYS  13           HN       LYS  13  74.360 -28.294 119.381
 1376    HA   LYS  13           HA       LYS  13  71.525 -27.867 118.692
 1377    HB2  LYS  13           HB2      LYS  13  72.765 -27.346 121.404
 1378    HB3  LYS  13           HB1      LYS  13  71.285 -26.562 120.869
 1379    HG2  LYS  13           HG2      LYS  13  70.212 -28.368 121.772
 1380    HG3  LYS  13           HG1      LYS  13  70.705 -29.213 120.312
 1381    HD2  LYS  13           HD2      LYS  13  72.946 -29.618 121.732
 1382    HD3  LYS  13           HD1      LYS  13  71.843 -29.381 123.087
 1383    HE2  LYS  13           HE2      LYS  13  71.781 -31.713 122.669
 1384    HE3  LYS  13           HE1      LYS  13  70.319 -31.092 121.898
 1385    HZ1  LYS  13           HZ1      LYS  13  71.118 -31.505 119.851
 1386    HZ2  LYS  13           HZ2      LYS  13  72.112 -32.623 120.655
 1387    HZ3  LYS  13           HZ3      LYS  13  72.707 -31.085 120.256
 1388    H    GLY  14           HN       GLY  14  71.061 -25.956 117.889
 1389    HA2  GLY  14           HA2      GLY  14  72.228 -23.491 118.327
 1390    HA3  GLY  14           HA1      GLY  14  73.132 -24.220 116.998
 1391    H    GLU  15           HN       GLU  15  72.268 -22.582 115.511
 1392    HA   GLU  15           HA       GLU  15  69.491 -23.172 114.644
 1393    HB2  GLU  15           HB2      GLU  15  70.835 -20.474 114.400
 1394    HB3  GLU  15           HB1      GLU  15  69.167 -20.887 114.006
 1395    HG2  GLU  15           HG2      GLU  15  70.315 -21.192 116.772
 1396    HG3  GLU  15           HG1      GLU  15  69.528 -19.720 116.218
 1397    H    THR  16           HN       THR  16  69.163 -22.848 112.322
 1398    HA   THR  16           HA       THR  16  71.582 -22.567 110.692
 1399    HB   THR  16           HB       THR  16  70.215 -24.799 109.568
 1400    HG1  THR  16           HG1      THR  16  70.329 -24.779 112.343
 1401   HG21  THR  16          HG21      THR  16  72.315 -25.977 110.091
 1402   HG22  THR  16          HG22      THR  16  72.798 -24.625 111.117
 1403   HG23  THR  16          HG23      THR  16  72.599 -24.389 109.381
 1404    H    THR  17           HN       THR  17  71.168 -21.684 108.696
 1405    HA   THR  17           HA       THR  17  68.386 -21.613 107.782
 1406    HB   THR  17           HB       THR  17  69.853 -18.994 107.883
 1407    HG1  THR  17           HG1      THR  17  69.652 -20.118 110.010
 1408   HG21  THR  17          HG21      THR  17  66.904 -19.562 108.173
 1409   HG22  THR  17          HG22      THR  17  67.662 -19.480 106.586
 1410   HG23  THR  17          HG23      THR  17  67.687 -18.079 107.645
 1411    H    THR  18           HN       THR  18  68.087 -20.905 105.652
 1412    HA   THR  18           HA       THR  18  70.356 -20.465 103.929
 1413    HB   THR  18           HB       THR  18  70.194 -22.988 104.238
 1414    HG1  THR  18           HG1      THR  18  70.096 -23.227 101.823
 1415   HG21  THR  18          HG21      THR  18  68.369 -24.180 103.403
 1416   HG22  THR  18          HG22      THR  18  67.827 -22.840 102.394
 1417   HG23  THR  18          HG23      THR  18  67.572 -22.789 104.138
 1418    H    GLU  19           HN       GLU  19  69.691 -19.795 101.820
 1419    HA   GLU  19           HA       GLU  19  66.944 -18.693 101.736
 1420    HB2  GLU  19           HB2      GLU  19  68.984 -17.195 101.510
 1421    HB3  GLU  19           HB1      GLU  19  69.348 -18.041 100.010
 1422    HG2  GLU  19           HG2      GLU  19  68.098 -16.331  99.098
 1423    HG3  GLU  19           HG1      GLU  19  66.764 -17.406  99.502
 1424    H    ALA  20           HN       ALA  20  65.504 -19.802 100.489
 1425    HA   ALA  20           HA       ALA  20  66.366 -20.913  97.927
 1426    HB1  ALA  20           HB1      ALA  20  66.686 -22.982  98.872
 1427    HB2  ALA  20           HB2      ALA  20  64.927 -23.068  98.878
 1428    HB3  ALA  20           HB3      ALA  20  65.790 -22.558 100.327
 1429    H    VAL  21           HN       VAL  21  64.585 -21.617  96.632
 1430    HA   VAL  21           HA       VAL  21  62.297 -19.897  96.933
 1431    HB   VAL  21           HB       VAL  21  62.938 -20.100  94.694
 1432   HG11  VAL  21          HG11      VAL  21  64.661 -21.704  94.879
 1433   HG12  VAL  21          HG12      VAL  21  63.516 -22.394  93.732
 1434   HG13  VAL  21          HG13      VAL  21  63.545 -22.965  95.397
 1435   HG21  VAL  21          HG21      VAL  21  60.488 -20.888  95.110
 1436   HG22  VAL  21          HG22      VAL  21  61.102 -22.506  94.795
 1437   HG23  VAL  21          HG23      VAL  21  61.208 -21.269  93.547
 1438    H    ASP  22           HN       ASP  22  63.061 -23.351  97.029
 1439    HA   ASP  22           HA       ASP  22  60.274 -23.893  97.880
 1440    HB2  ASP  22           HB2      ASP  22  61.269 -25.131  95.930
 1441    HB3  ASP  22           HB1      ASP  22  62.342 -25.915  97.083
 1442    H    ALA  23           HN       ALA  23  59.794 -25.224  99.549
 1443    HA   ALA  23           HA       ALA  23  61.441 -24.970 101.891
 1444    HB1  ALA  23           HB1      ALA  23  59.077 -24.898 102.216
 1445    HB2  ALA  23           HB2      ALA  23  59.616 -26.437 102.885
 1446    HB3  ALA  23           HB3      ALA  23  58.842 -26.387 101.303
 1447    H    ALA  24           HN       ALA  24  60.551 -27.587  99.676
 1448    HA   ALA  24           HA       ALA  24  61.888 -29.645 101.138
 1449    HB1  ALA  24           HB1      ALA  24  60.057 -29.878  99.303
 1450    HB2  ALA  24           HB2      ALA  24  61.350 -31.077  99.353
 1451    HB3  ALA  24           HB3      ALA  24  61.402 -29.772  98.167
 1452    H    THR  25           HN       THR  25  62.991 -27.558  98.301
 1453    HA   THR  25           HA       THR  25  65.437 -28.871  97.865
 1454    HB   THR  25           HB       THR  25  64.313 -26.946  96.482
 1455    HG1  THR  25           HG1      THR  25  66.584 -28.072  96.479
 1456   HG21  THR  25          HG21      THR  25  64.741 -25.333  98.555
 1457   HG22  THR  25          HG22      THR  25  64.922 -24.727  96.909
 1458   HG23  THR  25          HG23      THR  25  66.347 -25.192  97.840
 1459    H    ALA  26           HN       ALA  26  64.535 -26.442 100.268
 1460    HA   ALA  26           HA       ALA  26  67.176 -25.866 101.164
 1461    HB1  ALA  26           HB1      ALA  26  66.150 -24.575 102.830
 1462    HB2  ALA  26           HB2      ALA  26  64.739 -25.624 102.915
 1463    HB3  ALA  26           HB3      ALA  26  64.958 -24.551 101.534
 1464    H    GLU  27           HN       GLU  27  64.770 -28.224 102.024
 1465    HA   GLU  27           HA       GLU  27  65.904 -29.201 104.419
 1466    HB2  GLU  27           HB2      GLU  27  64.024 -30.488 104.437
 1467    HB3  GLU  27           HB1      GLU  27  63.574 -29.650 102.956
 1468    HG2  GLU  27           HG2      GLU  27  64.837 -31.433 101.669
 1469    HG3  GLU  27           HG1      GLU  27  65.031 -32.299 103.185
 1470    H    LYS  28           HN       LYS  28  66.588 -29.901 101.057
 1471    HA   LYS  28           HA       LYS  28  67.780 -32.406 101.305
 1472    HB2  LYS  28           HB2      LYS  28  68.569 -30.118  99.482
 1473    HB3  LYS  28           HB1      LYS  28  69.092 -31.791  99.287
 1474    HG2  LYS  28           HG2      LYS  28  66.598 -32.401  99.276
 1475    HG3  LYS  28           HG1      LYS  28  66.295 -30.678  99.062
 1476    HD2  LYS  28           HD2      LYS  28  67.880 -32.498  97.220
 1477    HD3  LYS  28           HD1      LYS  28  66.361 -31.680  96.856
 1478    HE2  LYS  28           HE2      LYS  28  67.644 -29.474  97.335
 1479    HE3  LYS  28           HE1      LYS  28  69.108 -30.440  97.222
 1480    HZ1  LYS  28           HZ1      LYS  28  67.707 -29.272  95.055
 1481    HZ2  LYS  28           HZ2      LYS  28  67.418 -30.939  94.913
 1482    HZ3  LYS  28           HZ3      LYS  28  69.012 -30.354  94.936
 1483    H    VAL  29           HN       VAL  29  69.210 -29.191 101.730
 1484    HA   VAL  29           HA       VAL  29  71.821 -30.183 102.325
 1485    HB   VAL  29           HB       VAL  29  70.660 -27.529 103.183
 1486   HG11  VAL  29          HG11      VAL  29  73.456 -28.461 102.466
 1487   HG12  VAL  29          HG12      VAL  29  72.871 -28.102 104.091
 1488   HG13  VAL  29          HG13      VAL  29  73.015 -26.810 102.900
 1489   HG21  VAL  29          HG21      VAL  29  71.801 -28.389 100.506
 1490   HG22  VAL  29          HG22      VAL  29  71.535 -26.710 100.975
 1491   HG23  VAL  29          HG23      VAL  29  70.164 -27.809 100.818
 1492    H    PHE  30           HN       PHE  30  69.206 -28.884 104.358
 1493    HA   PHE  30           HA       PHE  30  70.422 -29.244 106.844
 1494    HB2  PHE  30           HB2      PHE  30  67.497 -29.259 106.145
 1495    HB3  PHE  30           HB1      PHE  30  68.146 -29.096 107.766
 1496    HD1  PHE  30           HD2      PHE  30  70.320 -27.190 107.628
 1497    HD2  PHE  30           HD1      PHE  30  66.646 -27.230 105.383
 1498    HE1  PHE  30           HE2      PHE  30  70.501 -24.756 107.271
 1499    HE2  PHE  30           HE1      PHE  30  66.829 -24.792 105.059
 1500    HZ   PHE  30           HZ       PHE  30  68.756 -23.551 105.999
 1501    H    LYS  31           HN       LYS  31  68.221 -31.483 105.097
 1502    HA   LYS  31           HA       LYS  31  68.189 -33.351 107.254
 1503    HB2  LYS  31           HB2      LYS  31  67.374 -33.473 104.362
 1504    HB3  LYS  31           HB1      LYS  31  67.503 -34.975 105.274
 1505    HG2  LYS  31           HG2      LYS  31  66.003 -33.849 107.041
 1506    HG3  LYS  31           HG1      LYS  31  65.688 -32.615 105.821
 1507    HD2  LYS  31           HD2      LYS  31  64.812 -34.296 104.295
 1508    HD3  LYS  31           HD1      LYS  31  65.254 -35.584 105.409
 1509    HE2  LYS  31           HE2      LYS  31  63.672 -34.807 107.049
 1510    HE3  LYS  31           HE1      LYS  31  63.334 -33.354 106.105
 1511    HZ1  LYS  31           HZ1      LYS  31  62.936 -35.411 104.361
 1512    HZ2  LYS  31           HZ2      LYS  31  61.725 -34.524 105.155
 1513    HZ3  LYS  31           HZ3      LYS  31  62.279 -35.990 105.812
 1514    H    GLN  32           HN       GLN  32  70.073 -33.166 104.252
 1515    HA   GLN  32           HA       GLN  32  71.566 -35.533 104.744
 1516    HB2  GLN  32           HB2      GLN  32  71.280 -34.341 102.535
 1517    HB3  GLN  32           HB1      GLN  32  72.423 -33.134 103.127
 1518    HG2  GLN  32           HG2      GLN  32  74.093 -34.934 103.507
 1519    HG3  GLN  32           HG1      GLN  32  72.957 -36.103 102.835
 1520   HE21  GLN  32          HE21      GLN  32  75.640 -34.232 101.975
 1521   HE22  GLN  32          HE22      GLN  32  75.343 -34.090 100.309
 1522    H    TYR  33           HN       TYR  33  71.919 -32.164 105.623
 1523    HA   TYR  33           HA       TYR  33  74.594 -32.265 106.521
 1524    HB2  TYR  33           HB2      TYR  33  73.649 -30.156 105.993
 1525    HB3  TYR  33           HB1      TYR  33  72.263 -30.447 107.041
 1526    HD1  TYR  33           HD2      TYR  33  75.955 -30.021 107.050
 1527    HD2  TYR  33           HD1      TYR  33  72.312 -29.842 109.320
 1528    HE1  TYR  33           HE2      TYR  33  77.187 -29.011 108.950
 1529    HE2  TYR  33           HE1      TYR  33  73.544 -28.833 111.218
 1530    HH   TYR  33           HH       TYR  33  75.625 -28.457 112.065
 1531    H    ALA  34           HN       ALA  34  71.469 -32.616 108.196
 1532    HA   ALA  34           HA       ALA  34  72.465 -32.731 110.815
 1533    HB1  ALA  34           HB1      ALA  34  70.277 -33.074 111.373
 1534    HB2  ALA  34           HB2      ALA  34  70.131 -34.465 110.300
 1535    HB3  ALA  34           HB3      ALA  34  69.963 -32.834 109.655
 1536    H    ASN  35           HN       ASN  35  72.171 -35.325 108.328
 1537    HA   ASN  35           HA       ASN  35  72.813 -37.418 110.140
 1538    HB2  ASN  35           HB2      ASN  35  71.729 -37.427 107.719
 1539    HB3  ASN  35           HB1      ASN  35  73.406 -37.596 107.203
 1540   HD21  ASN  35          HD21      ASN  35  71.510 -39.047 109.999
 1541   HD22  ASN  35          HD22      ASN  35  71.977 -40.640 109.643
 1542    H    ASP  36           HN       ASP  36  74.672 -35.509 107.773
 1543    HA   ASP  36           HA       ASP  36  77.162 -36.769 108.232
 1544    HB2  ASP  36           HB2      ASP  36  76.825 -33.951 107.245
 1545    HB3  ASP  36           HB1      ASP  36  78.056 -35.136 106.806
 1546    H    ASN  37           HN       ASN  37  75.540 -34.156 109.986
 1547    HA   ASN  37           HA       ASN  37  78.048 -33.338 111.225
 1548    HB2  ASN  37           HB2      ASN  37  76.810 -31.577 112.199
 1549    HB3  ASN  37           HB1      ASN  37  76.253 -31.746 110.540
 1550   HD21  ASN  37          HD21      ASN  37  74.385 -30.477 111.919
 1551   HD22  ASN  37          HD22      ASN  37  73.138 -31.498 112.455
 1552    H    GLY  38           HN       GLY  38  75.347 -35.471 112.073
 1553    HA2  GLY  38           HA2      GLY  38  76.142 -37.134 113.799
 1554    HA3  GLY  38           HA1      GLY  38  76.513 -35.746 114.801
 1555    H    VAL  39           HN       VAL  39  73.728 -34.714 113.448
 1556    HA   VAL  39           HA       VAL  39  72.051 -36.077 115.502
 1557    HB   VAL  39           HB       VAL  39  72.313 -33.870 116.272
 1558   HG11  VAL  39          HG11      VAL  39  71.770 -32.906 113.455
 1559   HG12  VAL  39          HG12      VAL  39  73.349 -32.970 114.223
 1560   HG13  VAL  39          HG13      VAL  39  72.113 -31.891 114.853
 1561   HG21  VAL  39          HG21      VAL  39  70.115 -32.897 116.119
 1562   HG22  VAL  39          HG22      VAL  39  69.910 -34.645 116.057
 1563   HG23  VAL  39          HG23      VAL  39  69.808 -33.694 114.581
 1564    H    ASP  40           HN       ASP  40  70.787 -37.474 114.528
 1565    HA   ASP  40           HA       ASP  40  69.168 -36.589 112.203
 1566    HB2  ASP  40           HB2      ASP  40  71.042 -38.332 111.731
 1567    HB3  ASP  40           HB1      ASP  40  70.016 -39.458 112.614
 1568    H    GLY  41           HN       GLY  41  67.087 -36.332 113.070
 1569    HA2  GLY  41           HA2      GLY  41  66.030 -38.608 114.644
 1570    HA3  GLY  41           HA1      GLY  41  65.935 -36.994 115.326
 1571    H    GLU  42           HN       GLU  42  63.567 -37.189 115.375
 1572    HA   GLU  42           HA       GLU  42  62.151 -37.606 112.949
 1573    HB2  GLU  42           HB2      GLU  42  60.896 -36.291 115.338
 1574    HB3  GLU  42           HB1      GLU  42  60.220 -37.482 114.231
 1575    HG2  GLU  42           HG2      GLU  42  62.298 -37.972 116.380
 1576    HG3  GLU  42           HG1      GLU  42  60.643 -38.577 116.345
 1577    H    TRP  43           HN       TRP  43  61.380 -36.147 111.573
 1578    HA   TRP  43           HA       TRP  43  62.282 -33.366 111.891
 1579    HB2  TRP  43           HB2      TRP  43  61.536 -35.038 109.495
 1580    HB3  TRP  43           HB1      TRP  43  61.848 -33.303 109.408
 1581    HD1  TRP  43           HD1      TRP  43  63.632 -36.640 110.110
 1582    HE1  TRP  43           HE1      TRP  43  66.175 -36.233 110.008
 1583    HE3  TRP  43           HE3      TRP  43  63.676 -31.579 109.616
 1584    HZ2  TRP  43           HZ2      TRP  43  67.972 -34.050 109.711
 1585    HZ3  TRP  43           HZ3      TRP  43  65.810 -30.362 109.415
 1586    HH2  TRP  43           HH2      TRP  43  67.965 -31.583 109.463
 1587    H    THR  44           HN       THR  44  61.054 -31.737 111.019
 1588    HA   THR  44           HA       THR  44  58.206 -31.997 110.631
 1589    HB   THR  44           HB       THR  44  58.189 -31.888 113.051
 1590    HG1  THR  44           HG1      THR  44  57.773 -29.247 112.805
 1591   HG21  THR  44          HG21      THR  44  60.335 -31.164 113.673
 1592   HG22  THR  44          HG22      THR  44  59.309 -29.795 114.095
 1593   HG23  THR  44          HG23      THR  44  60.274 -29.749 112.622
 1594    H    TYR  45           HN       TYR  45  57.336 -29.904 109.804
 1595    HA   TYR  45           HA       TYR  45  59.320 -27.816 109.338
 1596    HB2  TYR  45           HB2      TYR  45  59.761 -29.113 107.394
 1597    HB3  TYR  45           HB1      TYR  45  58.046 -29.397 107.106
 1598    HD1  TYR  45           HD2      TYR  45  60.160 -26.348 107.786
 1599    HD2  TYR  45           HD1      TYR  45  57.233 -28.214 105.256
 1600    HE1  TYR  45           HE2      TYR  45  60.052 -24.307 106.405
 1601    HE2  TYR  45           HE1      TYR  45  57.122 -26.159 103.874
 1602    HH   TYR  45           HH       TYR  45  57.897 -24.106 103.570
 1603    H    ASP  46           HN       ASP  46  58.361 -26.010 109.871
 1604    HA   ASP  46           HA       ASP  46  55.455 -25.768 109.473
 1605    HB2  ASP  46           HB2      ASP  46  56.233 -25.113 111.703
 1606    HB3  ASP  46           HB1      ASP  46  57.402 -23.992 110.987
 1607    H    ASP  47           HN       ASP  47  54.913 -24.999 107.443
 1608    HA   ASP  47           HA       ASP  47  56.813 -23.412 105.921
 1609    HB2  ASP  47           HB2      ASP  47  55.227 -25.261 105.021
 1610    HB3  ASP  47           HB1      ASP  47  53.983 -24.016 105.079
 1611    H    ALA  48           HN       ALA  48  54.459 -22.814 108.200
 1612    HA   ALA  48           HA       ALA  48  53.445 -20.330 107.133
 1613    HB1  ALA  48           HB1      ALA  48  52.182 -20.197 109.111
 1614    HB2  ALA  48           HB2      ALA  48  53.341 -21.166 110.023
 1615    HB3  ALA  48           HB3      ALA  48  52.308 -21.932 108.816
 1616    H    THR  49           HN       THR  49  56.206 -21.356 109.064
 1617    HA   THR  49           HA       THR  49  57.056 -18.532 109.362
 1618    HB   THR  49           HB       THR  49  58.330 -19.476 111.457
 1619    HG1  THR  49           HG1      THR  49  56.174 -21.148 111.814
 1620   HG21  THR  49          HG21      THR  49  56.539 -17.806 111.591
 1621   HG22  THR  49          HG22      THR  49  56.405 -18.974 112.906
 1622   HG23  THR  49          HG23      THR  49  55.330 -19.087 111.512
 1623    H    LYS  50           HN       LYS  50  57.536 -21.088 107.541
 1624    HA   LYS  50           HA       LYS  50  59.332 -22.130 106.539
 1625    HB2  LYS  50           HB2      LYS  50  60.779 -19.518 106.940
 1626    HB3  LYS  50           HB1      LYS  50  60.869 -20.626 105.573
 1627    HG2  LYS  50           HG2      LYS  50  58.408 -19.009 106.327
 1628    HG3  LYS  50           HG1      LYS  50  59.546 -18.582 105.053
 1629    HD2  LYS  50           HD2      LYS  50  59.070 -20.807 103.978
 1630    HD3  LYS  50           HD1      LYS  50  57.802 -21.059 105.172
 1631    HE2  LYS  50           HE2      LYS  50  56.514 -19.250 104.353
 1632    HE3  LYS  50           HE1      LYS  50  57.871 -18.587 103.445
 1633    HZ1  LYS  50           HZ1      LYS  50  55.980 -20.547 102.656
 1634    HZ2  LYS  50           HZ2      LYS  50  57.560 -21.158 102.529
 1635    HZ3  LYS  50           HZ3      LYS  50  57.131 -19.728 101.717
 1636    H    THR  51           HN       THR  51  59.278 -22.949 109.127
 1637    HA   THR  51           HA       THR  51  62.140 -22.874 109.928
 1638    HB   THR  51           HB       THR  51  59.732 -22.720 111.765
 1639    HG1  THR  51           HG1      THR  51  61.272 -20.854 112.381
 1640   HG21  THR  51          HG21      THR  51  61.241 -24.145 112.912
 1641   HG22  THR  51          HG22      THR  51  61.627 -22.540 113.529
 1642   HG23  THR  51          HG23      THR  51  62.653 -23.282 112.302
 1643    H    PHE  52           HN       PHE  52  63.115 -24.865 110.116
 1644    HA   PHE  52           HA       PHE  52  61.432 -27.294 110.240
 1645    HB2  PHE  52           HB2      PHE  52  64.261 -26.755 109.330
 1646    HB3  PHE  52           HB1      PHE  52  63.604 -28.380 109.513
 1647    HD1  PHE  52           HD1      PHE  52  63.041 -25.109 107.782
 1648    HD2  PHE  52           HD2      PHE  52  62.351 -29.352 107.790
 1649    HE1  PHE  52           HE1      PHE  52  62.130 -24.985 105.477
 1650    HE2  PHE  52           HE2      PHE  52  61.437 -29.210 105.493
 1651    HZ   PHE  52           HZ       PHE  52  61.336 -27.025 104.337
 1652    H    THR  53           HN       THR  53  62.267 -29.056 111.675
 1653    HA   THR  53           HA       THR  53  64.363 -28.361 113.559
 1654    HB   THR  53           HB       THR  53  63.161 -28.521 115.595
 1655    HG1  THR  53           HG1      THR  53  61.726 -30.163 114.701
 1656   HG21  THR  53          HG21      THR  53  62.928 -26.307 114.507
 1657   HG22  THR  53          HG22      THR  53  61.551 -26.687 115.523
 1658   HG23  THR  53          HG23      THR  53  61.423 -26.834 113.772
 1659    H    VAL  54           HN       VAL  54  65.544 -30.250 114.040
 1660    HA   VAL  54           HA       VAL  54  64.177 -32.843 113.515
 1661    HB   VAL  54           HB       VAL  54  66.059 -32.319 111.976
 1662   HG11  VAL  54          HG11      VAL  54  67.829 -32.544 114.415
 1663   HG12  VAL  54          HG12      VAL  54  67.312 -30.995 113.757
 1664   HG13  VAL  54          HG13      VAL  54  68.297 -32.085 112.781
 1665   HG21  VAL  54          HG21      VAL  54  65.478 -34.680 112.648
 1666   HG22  VAL  54          HG22      VAL  54  66.714 -34.582 113.902
 1667   HG23  VAL  54          HG23      VAL  54  67.172 -34.479 112.202
 1668    H    THR  55           HN       THR  55  63.848 -34.119 115.260
 1669    HA   THR  55           HA       THR  55  65.513 -33.705 117.683
 1670    HB   THR  55           HB       THR  55  63.051 -32.836 117.681
 1671    HG1  THR  55           HG1      THR  55  64.314 -34.435 119.621
 1672   HG21  THR  55          HG21      THR  55  61.343 -34.419 118.181
 1673   HG22  THR  55          HG22      THR  55  62.510 -35.720 118.415
 1674   HG23  THR  55          HG23      THR  55  62.203 -35.091 116.798
 1675    H    GLU  56           HN       GLU  56  66.679 -35.472 118.256
 1676    HA   GLU  56           HA       GLU  56  65.678 -38.147 117.448
 1677    HB2  GLU  56           HB2      GLU  56  68.215 -38.690 118.040
 1678    HB3  GLU  56           HB1      GLU  56  67.779 -38.005 116.476
 1679    HG2  GLU  56           HG2      GLU  56  68.284 -35.759 117.271
 1680    HG3  GLU  56           HG1      GLU  56  68.645 -36.383 118.882
 1681    H1   MET   1           HT1      MET   1  54.224  16.973  96.578
 1682    H2   MET   1           HT2      MET   1  52.660  16.787  95.942
 1683    H3   MET   1           HT3      MET   1  53.552  15.423  96.423
 1684    HA   MET   1           HA       MET   1  52.758  17.580  98.279
 1685    HB2  MET   1           HB2      MET   1  50.636  16.741  98.362
 1686    HB3  MET   1           HB1      MET   1  51.040  15.804  96.939
 1687    HG2  MET   1           HG2      MET   1  51.973  14.039  98.621
 1688    HG3  MET   1           HG1      MET   1  51.060  14.940  99.828
 1689    HE1  MET   1           HE1      MET   1  49.696  12.442  96.339
 1690    HE2  MET   1           HE2      MET   1  51.275  13.148  96.660
 1691    HE3  MET   1           HE3      MET   1  50.013  14.116  95.905
 1692    H    GLN   2           HN       GLN   2  52.505  16.079 100.551
 1693    HA   GLN   2           HA       GLN   2  55.103  14.650 100.776
 1694    HB2  GLN   2           HB2      GLN   2  53.822  16.683 102.608
 1695    HB3  GLN   2           HB1      GLN   2  55.098  15.598 103.155
 1696    HG2  GLN   2           HG2      GLN   2  56.673  16.509 101.619
 1697    HG3  GLN   2           HG1      GLN   2  55.416  17.335 100.701
 1698   HE21  GLN   2          HE21      GLN   2  57.472  17.616 103.641
 1699   HE22  GLN   2          HE22      GLN   2  56.954  19.179 104.056
 1700    H    TYR   3           HN       TYR   3  55.165  12.809 101.881
 1701    HA   TYR   3           HA       TYR   3  52.693  11.809 103.179
 1702    HB2  TYR   3           HB2      TYR   3  54.948  10.247 101.917
 1703    HB3  TYR   3           HB1      TYR   3  53.503   9.576 102.671
 1704    HD1  TYR   3           HD2      TYR   3  51.209  10.392 101.755
 1705    HD2  TYR   3           HD1      TYR   3  54.927  10.770  99.642
 1706    HE1  TYR   3           HE2      TYR   3  49.977  10.586  99.613
 1707    HE2  TYR   3           HE1      TYR   3  53.692  10.965  97.504
 1708    HH   TYR   3           HH       TYR   3  50.256  10.390  97.322
 1709    H    LYS   4           HN       LYS   4  52.915  11.108 105.240
 1710    HA   LYS   4           HA       LYS   4  55.659  11.210 106.396
 1711    HB2  LYS   4           HB2      LYS   4  54.002  13.089 107.002
 1712    HB3  LYS   4           HB1      LYS   4  53.141  11.865 107.923
 1713    HG2  LYS   4           HG2      LYS   4  54.626  12.030 109.650
 1714    HG3  LYS   4           HG1      LYS   4  55.986  11.736 108.581
 1715    HD2  LYS   4           HD2      LYS   4  55.850  14.192 107.903
 1716    HD3  LYS   4           HD1      LYS   4  54.682  14.404 109.207
 1717    HE2  LYS   4           HE2      LYS   4  57.414  13.195 109.680
 1718    HE3  LYS   4           HE1      LYS   4  57.124  14.932 109.771
 1719    HZ1  LYS   4           HZ1      LYS   4  55.562  14.625 111.495
 1720    HZ2  LYS   4           HZ2      LYS   4  56.930  13.711 111.918
 1721    HZ3  LYS   4           HZ3      LYS   4  55.550  12.941 111.296
 1722    H    LEU   5           HN       LEU   5  56.342   9.405 107.382
 1723    HA   LEU   5           HA       LEU   5  54.335   7.326 108.045
 1724    HB2  LEU   5           HB2      LEU   5  55.882   6.636 106.307
 1725    HB3  LEU   5           HB1      LEU   5  57.248   7.126 107.270
 1726    HG   LEU   5           HG       LEU   5  56.619   4.585 107.057
 1727   HD11  LEU   5          HD11      LEU   5  58.462   5.348 108.402
 1728   HD12  LEU   5          HD12      LEU   5  57.560   4.119 109.283
 1729   HD13  LEU   5          HD13      LEU   5  57.377   5.814 109.708
 1730   HD21  LEU   5          HD21      LEU   5  54.236   5.058 107.950
 1731   HD22  LEU   5          HD22      LEU   5  55.004   5.102 109.526
 1732   HD23  LEU   5          HD23      LEU   5  55.098   3.654 108.548
 1733    H    ILE   6           HN       ILE   6  54.088   6.735 110.117
 1734    HA   ILE   6           HA       ILE   6  55.887   7.911 112.147
 1735    HB   ILE   6           HB       ILE   6  53.288   6.420 112.580
 1736   HG12  ILE   6          HG12      ILE   6  52.845   8.374 111.176
 1737   HG13  ILE   6          HG11      ILE   6  52.251   8.670 112.807
 1738   HG21  ILE   6          HG21      ILE   6  54.700   6.519 114.535
 1739   HG22  ILE   6          HG22      ILE   6  53.372   7.659 114.752
 1740   HG23  ILE   6          HG23      ILE   6  54.974   8.246 114.303
 1741   HD11  ILE   6          HD11      ILE   6  54.543   9.802 113.206
 1742   HD12  ILE   6          HD12      ILE   6  53.365  10.657 112.215
 1743   HD13  ILE   6          HD13      ILE   6  54.695   9.789 111.450
 1744    H    LEU   7           HN       LEU   7  57.234   6.671 113.265
 1745    HA   LEU   7           HA       LEU   7  57.347   3.823 112.591
 1746    HB2  LEU   7           HB2      LEU   7  59.221   5.725 113.990
 1747    HB3  LEU   7           HB1      LEU   7  59.457   3.988 114.095
 1748    HG   LEU   7           HG       LEU   7  59.216   4.169 111.413
 1749   HD11  LEU   7          HD11      LEU   7  60.317   6.860 112.269
 1750   HD12  LEU   7          HD12      LEU   7  58.812   6.588 111.392
 1751   HD13  LEU   7          HD13      LEU   7  60.358   6.220 110.627
 1752   HD21  LEU   7          HD21      LEU   7  61.721   4.908 112.946
 1753   HD22  LEU   7          HD22      LEU   7  61.666   4.267 111.305
 1754   HD23  LEU   7          HD23      LEU   7  61.151   3.264 112.661
 1755    H    ASN   8           HN       ASN   8  56.150   2.523 113.721
 1756    HA   ASN   8           HA       ASN   8  56.135   2.741 116.665
 1757    HB2  ASN   8           HB2      ASN   8  53.962   3.461 115.647
 1758    HB3  ASN   8           HB1      ASN   8  53.838   1.868 114.901
 1759   HD21  ASN   8          HD21      ASN   8  52.045   1.082 116.140
 1760   HD22  ASN   8          HD22      ASN   8  52.126   0.841 117.818
 1761    H    GLY   9           HN       GLY   9  57.868   1.237 116.635
 1762    HA2  GLY   9           HA2      GLY   9  57.116  -1.502 115.767
 1763    HA3  GLY   9           HA1      GLY   9  58.747  -0.868 115.617
 1764    H    LYS  10           HN       LYS  10  59.393  -2.723 116.874
 1765    HA   LYS  10           HA       LYS  10  58.495  -2.999 119.571
 1766    HB2  LYS  10           HB2      LYS  10  61.126  -4.089 118.569
 1767    HB3  LYS  10           HB1      LYS  10  60.026  -4.776 119.764
 1768    HG2  LYS  10           HG2      LYS  10  58.329  -4.823 117.716
 1769    HG3  LYS  10           HG1      LYS  10  59.809  -4.781 116.761
 1770    HD2  LYS  10           HD2      LYS  10  60.634  -6.777 117.965
 1771    HD3  LYS  10           HD1      LYS  10  59.139  -6.823 118.899
 1772    HE2  LYS  10           HE2      LYS  10  57.832  -7.161 116.865
 1773    HE3  LYS  10           HE1      LYS  10  59.282  -7.003 115.876
 1774    HZ1  LYS  10           HZ1      LYS  10  58.736  -9.121 117.882
 1775    HZ2  LYS  10           HZ2      LYS  10  60.202  -8.941 117.042
 1776    HZ3  LYS  10           HZ3      LYS  10  58.775  -9.313 116.198
 1777    H    THR  11           HN       THR  11  61.526  -1.613 118.147
 1778    HA   THR  11           HA       THR  11  61.739   0.077 120.566
 1779    HB   THR  11           HB       THR  11  64.257  -0.178 120.316
 1780    HG1  THR  11           HG1      THR  11  64.167  -2.621 119.303
 1781   HG21  THR  11          HG21      THR  11  63.109  -1.218 122.139
 1782   HG22  THR  11          HG22      THR  11  64.191  -2.432 121.457
 1783   HG23  THR  11          HG23      THR  11  62.466  -2.482 121.091
 1784    H    LEU  12           HN       LEU  12  61.626  -0.109 117.179
 1785    HA   LEU  12           HA       LEU  12  63.144   2.327 116.744
 1786    HB2  LEU  12           HB2      LEU  12  62.504   0.069 115.191
 1787    HB3  LEU  12           HB1      LEU  12  61.566   1.363 114.456
 1788    HG   LEU  12           HG       LEU  12  64.553   1.316 114.948
 1789   HD11  LEU  12          HD11      LEU  12  63.704   0.071 112.964
 1790   HD12  LEU  12          HD12      LEU  12  64.696   1.456 112.519
 1791   HD13  LEU  12          HD13      LEU  12  62.944   1.557 112.387
 1792   HD21  LEU  12          HD21      LEU  12  62.681   3.585 114.608
 1793   HD22  LEU  12          HD22      LEU  12  64.023   3.601 113.469
 1794   HD23  LEU  12          HD23      LEU  12  64.340   3.567 115.198
 1795    H    LYS  13           HN       LYS  13  62.198   4.208 117.304
 1796    HA   LYS  13           HA       LYS  13  59.469   4.725 116.310
 1797    HB2  LYS  13           HB2      LYS  13  60.408   5.144 119.158
 1798    HB3  LYS  13           HB1      LYS  13  59.019   5.985 118.484
 1799    HG2  LYS  13           HG2      LYS  13  57.806   4.187 119.213
 1800    HG3  LYS  13           HG1      LYS  13  58.433   3.367 117.790
 1801    HD2  LYS  13           HD2      LYS  13  60.494   2.861 119.437
 1802    HD3  LYS  13           HD1      LYS  13  59.251   3.089 120.667
 1803    HE2  LYS  13           HE2      LYS  13  59.176   0.774 120.173
 1804    HE3  LYS  13           HE1      LYS  13  57.833   1.455 119.251
 1805    HZ1  LYS  13           HZ1      LYS  13  58.860   1.073 117.303
 1806    HZ2  LYS  13           HZ2      LYS  13  59.724  -0.091 118.186
 1807    HZ3  LYS  13           HZ3      LYS  13  60.399   1.440 117.907
 1808    H    GLY  14           HN       GLY  14  59.141   6.666 115.512
 1809    HA2  GLY  14           HA2      GLY  14  60.307   9.089 116.144
 1810    HA3  GLY  14           HA1      GLY  14  61.338   8.370 114.905
 1811    H    GLU  15           HN       GLU  15  60.684  10.064 113.376
 1812    HA   GLU  15           HA       GLU  15  58.011   9.567 112.186
 1813    HB2  GLU  15           HB2      GLU  15  59.437  12.233 112.162
 1814    HB3  GLU  15           HB1      GLU  15  57.813  11.873 111.575
 1815    HG2  GLU  15           HG2      GLU  15  58.638  11.478 114.443
 1816    HG3  GLU  15           HG1      GLU  15  57.951  12.981 113.842
 1817    H    THR  16           HN       THR  16  57.958   9.961 109.849
 1818    HA   THR  16           HA       THR  16  60.554  10.209 108.514
 1819    HB   THR  16           HB       THR  16  59.278   8.048 107.173
 1820    HG1  THR  16           HG1      THR  16  59.083   7.971 109.952
 1821   HG21  THR  16          HG21      THR  16  61.265   6.797 107.896
 1822   HG22  THR  16          HG22      THR  16  61.646   8.084 109.041
 1823   HG23  THR  16          HG23      THR  16  61.681   8.407 107.308
 1824    H    THR  17           HN       THR  17  60.397  11.140 106.508
 1825    HA   THR  17           HA       THR  17  57.743  11.325 105.284
 1826    HB   THR  17           HB       THR  17  59.270  13.888 105.623
 1827    HG1  THR  17           HG1      THR  17  58.775  12.706 107.680
 1828   HG21  THR  17          HG21      THR  17  56.291  13.425 105.566
 1829   HG22  THR  17          HG22      THR  17  57.225  13.502 104.074
 1830   HG23  THR  17          HG23      THR  17  57.184  14.884 105.156
 1831    H    THR  18           HN       THR  18  57.721  12.093 103.147
 1832    HA   THR  18           HA       THR  18  60.198  12.482 101.723
 1833    HB   THR  18           HB       THR  18  59.913   9.962 101.931
 1834    HG1  THR  18           HG1      THR  18  60.063   9.798  99.502
 1835   HG21  THR  18          HG21      THR  18  58.156   8.860 100.853
 1836   HG22  THR  18          HG22      THR  18  57.771  10.253  99.844
 1837   HG23  THR  18          HG23      THR  18  57.331  10.254 101.550
 1838    H    GLU  19           HN       GLU  19  59.823  13.243  99.581
 1839    HA   GLU  19           HA       GLU  19  57.134  14.418  99.190
 1840    HB2  GLU  19           HB2      GLU  19  59.166  15.907  99.297
 1841    HB3  GLU  19           HB1      GLU  19  59.769  15.100  97.855
 1842    HG2  GLU  19           HG2      GLU  19  58.689  16.863  96.821
 1843    HG3  GLU  19           HG1      GLU  19  57.322  15.760  96.924
 1844    H    ALA  20           HN       ALA  20  55.896  13.139  97.939
 1845    HA   ALA  20           HA       ALA  20  56.974  12.207  95.352
 1846    HB1  ALA  20           HB1      ALA  20  57.035  10.090  96.239
 1847    HB2  ALA  20           HB2      ALA  20  55.289  10.135  96.008
 1848    HB3  ALA  20           HB3      ALA  20  55.979  10.522  97.580
 1849    H    VAL  21           HN       VAL  21  55.293  11.665  93.817
 1850    HA   VAL  21           HA       VAL  21  53.099  13.546  93.916
 1851    HB   VAL  21           HB       VAL  21  53.993  13.362  91.757
 1852   HG11  VAL  21          HG11      VAL  21  55.512  11.545  92.059
 1853   HG12  VAL  21          HG12      VAL  21  54.449  11.066  90.739
 1854   HG13  VAL  21          HG13      VAL  21  54.203  10.402  92.349
 1855   HG21  VAL  21          HG21      VAL  21  51.455  12.825  91.910
 1856   HG22  VAL  21          HG22      VAL  21  51.923  11.163  91.554
 1857   HG23  VAL  21          HG23      VAL  21  52.280  12.447  90.399
 1858    H    ASP  22           HN       ASP  22  53.632  10.057  93.986
 1859    HA   ASP  22           HA       ASP  22  50.742   9.635  94.507
 1860    HB2  ASP  22           HB2      ASP  22  51.791   8.460  92.571
 1861    HB3  ASP  22           HB1      ASP  22  52.797   7.581  93.719
 1862    H    ALA  23           HN       ALA  23  50.065   8.107  96.012
 1863    HA   ALA  23           HA       ALA  23  51.454   8.218  98.523
 1864    HB1  ALA  23           HB1      ALA  23  49.096   8.298  98.659
 1865    HB2  ALA  23           HB2      ALA  23  49.512   6.675  99.205
 1866    HB3  ALA  23           HB3      ALA  23  48.904   6.926  97.570
 1867    H    ALA  24           HN       ALA  24  50.651   5.638  96.209
 1868    HA   ALA  24           HA       ALA  24  51.844   3.528  97.673
 1869    HB1  ALA  24           HB1      ALA  24  50.224   3.416  95.636
 1870    HB2  ALA  24           HB2      ALA  24  51.477   2.184  95.783
 1871    HB3  ALA  24           HB3      ALA  24  51.692   3.530  94.665
 1872    H    THR  25           HN       THR  25  53.288   5.744  95.116
 1873    HA   THR  25           HA       THR  25  55.739   4.372  94.872
 1874    HB   THR  25           HB       THR  25  54.773   6.380  93.465
 1875    HG1  THR  25           HG1      THR  25  57.062   5.209  93.694
 1876   HG21  THR  25          HG21      THR  25  55.054   7.903  95.610
 1877   HG22  THR  25          HG22      THR  25  55.438   8.558  94.020
 1878   HG23  THR  25          HG23      THR  25  56.732   8.002  95.081
 1879    H    ALA  26           HN       ALA  26  54.625   6.734  97.255
 1880    HA   ALA  26           HA       ALA  26  57.169   7.249  98.419
 1881    HB1  ALA  26           HB1      ALA  26  56.003   8.486 100.046
 1882    HB2  ALA  26           HB2      ALA  26  54.559   7.487  99.903
 1883    HB3  ALA  26           HB3      ALA  26  54.983   8.614  98.615
 1884    H    GLU  27           HN       GLU  27  54.672   4.905  98.990
 1885    HA   GLU  27           HA       GLU  27  55.608   3.880 101.454
 1886    HB2  GLU  27           HB2      GLU  27  53.728   2.606 101.351
 1887    HB3  GLU  27           HB1      GLU  27  53.355   3.524  99.898
 1888    HG2  GLU  27           HG2      GLU  27  54.573   1.779  98.561
 1889    HG3  GLU  27           HG1      GLU  27  54.760   0.842 100.022
 1890    H    LYS  28           HN       LYS  28  56.504   3.198  98.145
 1891    HA   LYS  28           HA       LYS  28  57.658   0.683  98.397
 1892    HB2  LYS  28           HB2      LYS  28  58.636   3.082  96.823
 1893    HB3  LYS  28           HB1      LYS  28  59.217   1.437  96.589
 1894    HG2  LYS  28           HG2      LYS  28  56.767   0.795  96.227
 1895    HG3  LYS  28           HG1      LYS  28  56.440   2.518  96.101
 1896    HD2  LYS  28           HD2      LYS  28  58.209   0.820  94.316
 1897    HD3  LYS  28           HD1      LYS  28  56.773   1.731  93.857
 1898    HE2  LYS  28           HE2      LYS  28  58.049   3.844  94.583
 1899    HE3  LYS  28           HE1      LYS  28  59.488   2.837  94.658
 1900    HZ1  LYS  28           HZ1      LYS  28  58.475   4.126  92.349
 1901    HZ2  LYS  28           HZ2      LYS  28  58.159   2.476  92.099
 1902    HZ3  LYS  28           HZ3      LYS  28  59.748   3.000  92.387
 1903    H    VAL  29           HN       VAL  29  59.065   3.869  99.113
 1904    HA   VAL  29           HA       VAL  29  61.585   2.816  99.950
 1905    HB   VAL  29           HB       VAL  29  60.366   5.464 100.739
 1906   HG11  VAL  29          HG11      VAL  29  63.220   4.509 100.361
 1907   HG12  VAL  29          HG12      VAL  29  62.434   4.825 101.908
 1908   HG13  VAL  29          HG13      VAL  29  62.743   6.152 100.788
 1909   HG21  VAL  29          HG21      VAL  29  61.817   4.635  98.207
 1910   HG22  VAL  29          HG22      VAL  29  61.548   6.313  98.682
 1911   HG23  VAL  29          HG23      VAL  29  60.174   5.266  98.328
 1912    H    PHE  30           HN       PHE  30  58.805   4.120 101.750
 1913    HA   PHE  30           HA       PHE  30  59.766   3.669 104.331
 1914    HB2  PHE  30           HB2      PHE  30  56.919   3.746 103.370
 1915    HB3  PHE  30           HB1      PHE  30  57.423   3.852 105.044
 1916    HD1  PHE  30           HD2      PHE  30  59.615   5.710 105.184
 1917    HD2  PHE  30           HD1      PHE  30  56.201   5.811 102.565
 1918    HE1  PHE  30           HE2      PHE  30  59.869   8.154 104.929
 1919    HE2  PHE  30           HE1      PHE  30  56.452   8.253 102.338
 1920    HZ   PHE  30           HZ       PHE  30  58.286   9.429 103.519
 1921    H    LYS  31           HN       LYS  31  57.697   1.536 102.316
 1922    HA   LYS  31           HA       LYS  31  57.387  -0.348 104.444
 1923    HB2  LYS  31           HB2      LYS  31  56.588  -0.158 101.611
 1924    HB3  LYS  31           HB1      LYS  31  56.784  -1.788 102.195
 1925    HG2  LYS  31           HG2      LYS  31  55.138  -1.501 103.860
 1926    HG3  LYS  31           HG1      LYS  31  55.207   0.240 103.756
 1927    HD2  LYS  31           HD2      LYS  31  53.780   0.345 101.985
 1928    HD3  LYS  31           HD1      LYS  31  54.486  -1.062 101.204
 1929    HE2  LYS  31           HE2      LYS  31  53.048  -1.980 103.524
 1930    HE3  LYS  31           HE1      LYS  31  52.004  -0.910 102.593
 1931    HZ1  LYS  31           HZ1      LYS  31  53.597  -2.690 100.987
 1932    HZ2  LYS  31           HZ2      LYS  31  51.945  -2.306 100.885
 1933    HZ3  LYS  31           HZ3      LYS  31  52.480  -3.479 101.991
 1934    H    GLN  32           HN       GLN  32  59.606  -0.064 101.721
 1935    HA   GLN  32           HA       GLN  32  60.876  -2.591 102.205
 1936    HB2  GLN  32           HB2      GLN  32  60.893  -1.353 100.018
 1937    HB3  GLN  32           HB1      GLN  32  61.974  -0.173 100.762
 1938    HG2  GLN  32           HG2      GLN  32  63.563  -2.015 101.296
 1939    HG3  GLN  32           HG1      GLN  32  62.503  -3.142 100.451
 1940   HE21  GLN  32          HE21      GLN  32  65.297  -1.299  99.989
 1941   HE22  GLN  32          HE22      GLN  32  65.210  -1.096  98.306
 1942    H    TYR  33           HN       TYR  33  61.264   0.722 103.228
 1943    HA   TYR  33           HA       TYR  33  63.818   0.502 104.417
 1944    HB2  TYR  33           HB2      TYR  33  63.019   2.653 103.833
 1945    HB3  TYR  33           HB1      TYR  33  61.502   2.387 104.687
 1946    HD1  TYR  33           HD2      TYR  33  65.169   2.728 105.172
 1947    HD2  TYR  33           HD1      TYR  33  61.275   2.921 106.980
 1948    HE1  TYR  33           HE2      TYR  33  66.172   3.667 107.236
 1949    HE2  TYR  33           HE1      TYR  33  62.280   3.859 109.043
 1950    HH   TYR  33           HH       TYR  33  64.245   4.180 110.147
 1951    H    ALA  34           HN       ALA  34  60.507   0.208 105.698
 1952    HA   ALA  34           HA       ALA  34  61.170   0.030 108.418
 1953    HB1  ALA  34           HB1      ALA  34  58.927  -0.327 108.713
 1954    HB2  ALA  34           HB2      ALA  34  58.888  -1.647 107.544
 1955    HB3  ALA  34           HB3      ALA  34  58.826   0.024 106.988
 1956    H    ASN  35           HN       ASN  35  61.132  -2.514 105.863
 1957    HA   ASN  35           HA       ASN  35  61.516  -4.655 107.695
 1958    HB2  ASN  35           HB2      ASN  35  60.725  -4.590 105.162
 1959    HB3  ASN  35           HB1      ASN  35  62.446  -4.791 104.844
 1960   HD21  ASN  35          HD21      ASN  35  60.196  -6.246 107.363
 1961   HD22  ASN  35          HD22      ASN  35  60.666  -7.842 107.031
 1962    H    ASP  36           HN       ASP  36  63.672  -2.735 105.607
 1963    HA   ASP  36           HA       ASP  36  66.068  -4.059 106.312
 1964    HB2  ASP  36           HB2      ASP  36  65.909  -1.207 105.375
 1965    HB3  ASP  36           HB1      ASP  36  67.150  -2.416 105.037
 1966    H    ASN  37           HN       ASN  37  64.303  -1.466 107.949
 1967    HA   ASN  37           HA       ASN  37  66.670  -0.734 109.486
 1968    HB2  ASN  37           HB2      ASN  37  65.369   1.036 110.353
 1969    HB3  ASN  37           HB1      ASN  37  65.001   0.918 108.639
 1970   HD21  ASN  37          HD21      ASN  37  63.017   2.203 109.829
 1971   HD22  ASN  37          HD22      ASN  37  61.695   1.203 110.193
 1972    H    GLY  38           HN       GLY  38  63.843  -2.818 109.963
 1973    HA2  GLY  38           HA2      GLY  38  64.399  -4.539 111.724
 1974    HA3  GLY  38           HA1      GLY  38  64.681  -3.184 112.797
 1975    H    VAL  39           HN       VAL  39  62.092  -2.054 111.164
 1976    HA   VAL  39           HA       VAL  39  60.165  -3.422 112.982
 1977    HB   VAL  39           HB       VAL  39  60.382  -1.240 113.830
 1978   HG11  VAL  39          HG11      VAL  39  60.196  -0.208 110.989
 1979   HG12  VAL  39          HG12      VAL  39  61.669  -0.319 111.943
 1980   HG13  VAL  39          HG13      VAL  39  60.386   0.774 112.440
 1981   HG21  VAL  39          HG21      VAL  39  58.237  -0.213 113.454
 1982   HG22  VAL  39          HG22      VAL  39  58.003  -1.954 113.316
 1983   HG23  VAL  39          HG23      VAL  39  58.093  -0.960 111.867
 1984    H    ASP  40           HN       ASP  40  58.991  -4.769 111.844
 1985    HA   ASP  40           HA       ASP  40  57.663  -3.804 109.371
 1986    HB2  ASP  40           HB2      ASP  40  59.540  -5.576 109.072
 1987    HB3  ASP  40           HB1      ASP  40  58.408  -6.696 109.825
 1988    H    GLY  41           HN       GLY  41  55.501  -3.514 110.005
 1989    HA2  GLY  41           HA2      GLY  41  54.223  -5.794 111.399
 1990    HA3  GLY  41           HA1      GLY  41  54.087  -4.192 112.102
 1991    H    GLU  42           HN       GLU  42  51.728  -4.314 111.880
 1992    HA   GLU  42           HA       GLU  42  50.579  -4.657 109.306
 1993    HB2  GLU  42           HB2      GLU  42  49.105  -3.338 111.564
 1994    HB3  GLU  42           HB1      GLU  42  48.521  -4.488 110.366
 1995    HG2  GLU  42           HG2      GLU  42  50.330  -5.079 112.723
 1996    HG3  GLU  42           HG1      GLU  42  48.674  -5.633 112.489
 1997    H    TRP  43           HN       TRP  43  49.886  -3.138 107.919
 1998    HA   TRP  43           HA       TRP  43  50.873  -0.399 108.360
 1999    HB2  TRP  43           HB2      TRP  43  50.383  -2.047 105.883
 2000    HB3  TRP  43           HB1      TRP  43  50.740  -0.319 105.838
 2001    HD1  TRP  43           HD1      TRP  43  52.362  -3.678 106.864
 2002    HE1  TRP  43           HE1      TRP  43  54.899  -3.305 107.076
 2003    HE3  TRP  43           HE3      TRP  43  52.543   1.336 106.112
 2004    HZ2  TRP  43           HZ2      TRP  43  56.763  -1.143 106.890
 2005    HZ3  TRP  43           HZ3      TRP  43  54.697   2.523 106.113
 2006    HH2  TRP  43           HH2      TRP  43  56.813   1.300 106.500
 2007    H    THR  44           HN       THR  44  49.818   1.272 107.401
 2008    HA   THR  44           HA       THR  44  47.025   1.131 106.677
 2009    HB   THR  44           HB       THR  44  46.749   1.192 109.085
 2010    HG1  THR  44           HG1      THR  44  46.422   3.833 108.895
 2011   HG21  THR  44          HG21      THR  44  48.855   1.834 109.930
 2012   HG22  THR  44          HG22      THR  44  47.814   3.204 110.305
 2013   HG23  THR  44          HG23      THR  44  48.919   3.290 108.937
 2014    H    TYR  45           HN       TYR  45  46.335   3.271 105.807
 2015    HA   TYR  45           HA       TYR  45  48.420   5.302 105.631
 2016    HB2  TYR  45           HB2      TYR  45  49.057   4.050 103.714
 2017    HB3  TYR  45           HB1      TYR  45  47.383   3.809 103.223
 2018    HD1  TYR  45           HD2      TYR  45  49.456   6.798 104.225
 2019    HD2  TYR  45           HD1      TYR  45  46.810   5.052 101.323
 2020    HE1  TYR  45           HE2      TYR  45  49.544   8.873 102.893
 2021    HE2  TYR  45           HE1      TYR  45  46.899   7.141  99.992
 2022    HH   TYR  45           HH       TYR  45  47.721   9.190  99.842
 2023    H    ASP  46           HN       ASP  46  47.443   7.113 106.114
 2024    HA   ASP  46           HA       ASP  46  44.612   7.444 105.386
 2025    HB2  ASP  46           HB2      ASP  46  45.150   8.018 107.709
 2026    HB3  ASP  46           HB1      ASP  46  46.410   9.136 107.160
 2027    H    ASP  47           HN       ASP  47  44.321   8.278 103.332
 2028    HA   ASP  47           HA       ASP  47  46.411   9.862 102.079
 2029    HB2  ASP  47           HB2      ASP  47  44.908   8.081 100.946
 2030    HB3  ASP  47           HB1      ASP  47  43.677   9.341 100.921
 2031    H    ALA  48           HN       ALA  48  43.805  10.437 104.086
 2032    HA   ALA  48           HA       ALA  48  42.963  12.972 103.005
 2033    HB1  ALA  48           HB1      ALA  48  41.498  13.073 104.843
 2034    HB2  ALA  48           HB2      ALA  48  42.539  12.057 105.843
 2035    HB3  ALA  48           HB3      ALA  48  41.627  11.346 104.512
 2036    H    THR  49           HN       THR  49  45.481  11.839 105.190
 2037    HA   THR  49           HA       THR  49  46.347  14.636 105.656
 2038    HB   THR  49           HB       THR  49  47.362  13.599 107.855
 2039    HG1  THR  49           HG1      THR  49  45.124  11.995 107.910
 2040   HG21  THR  49          HG21      THR  49  45.624  15.326 107.839
 2041   HG22  THR  49          HG22      THR  49  45.299  14.129 109.092
 2042   HG23  THR  49          HG23      THR  49  44.390  14.094 107.582
 2043    H    LYS  50           HN       LYS  50  46.980  12.116 103.830
 2044    HA   LYS  50           HA       LYS  50  48.860  11.062 103.009
 2045    HB2  LYS  50           HB2      LYS  50  50.298  13.634 103.639
 2046    HB3  LYS  50           HB1      LYS  50  50.518  12.563 102.259
 2047    HG2  LYS  50           HG2      LYS  50  48.020  14.211 102.786
 2048    HG3  LYS  50           HG1      LYS  50  49.299  14.648 101.657
 2049    HD2  LYS  50           HD2      LYS  50  48.895  12.489 100.444
 2050    HD3  LYS  50           HD1      LYS  50  47.525  12.192 101.509
 2051    HE2  LYS  50           HE2      LYS  50  46.303  14.014 100.654
 2052    HE3  LYS  50           HE1      LYS  50  47.731  14.756  99.935
 2053    HZ1  LYS  50           HZ1      LYS  50  45.961  12.855  98.817
 2054    HZ2  LYS  50           HZ2      LYS  50  47.538  12.223  98.849
 2055    HZ3  LYS  50           HZ3      LYS  50  47.229  13.701  98.071
 2056    H    THR  51           HN       THR  51  48.499  10.182 105.551
 2057    HA   THR  51           HA       THR  51  51.253  10.171 106.669
 2058    HB   THR  51           HB       THR  51  48.658  10.340 108.229
 2059    HG1  THR  51           HG1      THR  51  50.135  12.158 109.064
 2060   HG21  THR  51          HG21      THR  51  50.017   8.841 109.483
 2061   HG22  THR  51          HG22      THR  51  50.323  10.420 110.205
 2062   HG23  THR  51          HG23      THR  51  51.493   9.721 109.086
 2063    H    PHE  52           HN       PHE  52  52.157   8.150 106.915
 2064    HA   PHE  52           HA       PHE  52  50.415   5.762 106.786
 2065    HB2  PHE  52           HB2      PHE  52  53.342   6.242 106.220
 2066    HB3  PHE  52           HB1      PHE  52  52.622   4.635 106.275
 2067    HD1  PHE  52           HD1      PHE  52  52.345   7.970 104.600
 2068    HD2  PHE  52           HD2      PHE  52  51.564   3.750 104.384
 2069    HE1  PHE  52           HE1      PHE  52  51.714   8.191 102.210
 2070    HE2  PHE  52           HE2      PHE  52  50.930   3.986 102.002
 2071    HZ   PHE  52           HZ       PHE  52  51.014   6.209 100.916
 2072    H    THR  53           HN       THR  53  51.048   3.943 108.259
 2073    HA   THR  53           HA       THR  53  52.930   4.549 110.386
 2074    HB   THR  53           HB       THR  53  51.492   4.354 112.265
 2075    HG1  THR  53           HG1      THR  53  50.131   2.785 111.147
 2076   HG21  THR  53          HG21      THR  53  51.450   6.605 111.224
 2077   HG22  THR  53          HG22      THR  53  49.958   6.241 112.068
 2078   HG23  THR  53          HG23      THR  53  50.024   6.146 110.309
 2079    H    VAL  54           HN       VAL  54  54.010   2.618 110.963
 2080    HA   VAL  54           HA       VAL  54  52.655   0.075 110.222
 2081    HB   VAL  54           HB       VAL  54  54.702   0.526 108.915
 2082   HG11  VAL  54          HG11      VAL  54  56.198   0.306 111.532
 2083   HG12  VAL  54          HG12      VAL  54  55.767   1.857 110.820
 2084   HG13  VAL  54          HG13      VAL  54  56.839   0.756 109.955
 2085   HG21  VAL  54          HG21      VAL  54  54.025  -1.813 109.541
 2086   HG22  VAL  54          HG22      VAL  54  55.086  -1.708 110.945
 2087   HG23  VAL  54          HG23      VAL  54  55.766  -1.640 109.319
 2088    H    THR  55           HN       THR  55  52.098  -1.237 111.880
 2089    HA   THR  55           HA       THR  55  53.483  -0.930 114.486
 2090    HB   THR  55           HB       THR  55  51.056   0.004 114.232
 2091    HG1  THR  55           HG1      THR  55  52.044  -1.683 116.256
 2092   HG21  THR  55          HG21      THR  55  49.269  -1.547 114.496
 2093   HG22  THR  55          HG22      THR  55  50.372  -2.884 114.820
 2094   HG23  THR  55          HG23      THR  55  50.261  -2.205 113.197
 2095    H    GLU  56           HN       GLU  56  54.532  -2.743 115.137
 2096    HA   GLU  56           HA       GLU  56  53.571  -5.367 114.135
 2097    HB2  GLU  56           HB2      GLU  56  56.007  -5.989 115.021
 2098    HB3  GLU  56           HB1      GLU  56  55.775  -5.270 113.429
 2099    HG2  GLU  56           HG2      GLU  56  56.229  -3.049 114.322
 2100    HG3  GLU  56           HG1      GLU  56  56.393  -3.710 115.950
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  53.495  -2.668  99.866
    2    H2   MET   1           HT2      MET   1  52.050  -1.847  99.506
    3    H3   MET   1           HT3      MET   1  53.439  -0.978  99.944
    4    HA   MET   1           HA       MET   1  52.904  -0.959  97.539
    5    HB2  MET   1           HB2      MET   1  55.114  -0.451  97.380
    6    HB3  MET   1           HB1      MET   1  55.336  -1.153  98.964
    7    HG2  MET   1           HG2      MET   1  55.559  -3.429  97.717
    8    HG3  MET   1           HG1      MET   1  55.749  -2.448  96.266
    9    HE1  MET   1           HE1      MET   1  57.304  -1.536 100.030
   10    HE2  MET   1           HE2      MET   1  58.327  -2.944  99.908
   11    HE3  MET   1           HE3      MET   1  56.583  -3.120  99.742
   12    H    GLN   2           HN       GLN   2  53.779  -2.434  95.582
   13    HA   GLN   2           HA       GLN   2  52.711  -5.167  96.024
   14    HB2  GLN   2           HB2      GLN   2  52.226  -3.262  93.728
   15    HB3  GLN   2           HB1      GLN   2  51.831  -4.979  93.672
   16    HG2  GLN   2           HG2      GLN   2  50.303  -4.743  95.546
   17    HG3  GLN   2           HG1      GLN   2  50.779  -3.059  95.768
   18   HE21  GLN   2          HE21      GLN   2  50.829  -2.898  92.546
   19   HE22  GLN   2          HE22      GLN   2  49.188  -2.677  92.174
   20    H    TYR   3           HN       TYR   3  53.711  -6.809  95.044
   21    HA   TYR   3           HA       TYR   3  56.153  -6.233  93.464
   22    HB2  TYR   3           HB2      TYR   3  55.533  -8.706  95.078
   23    HB3  TYR   3           HB1      TYR   3  57.043  -8.307  94.263
   24    HD1  TYR   3           HD1      TYR   3  58.509  -6.524  95.118
   25    HD2  TYR   3           HD2      TYR   3  54.876  -7.636  97.121
   26    HE1  TYR   3           HE1      TYR   3  59.249  -5.312  97.153
   27    HE2  TYR   3           HE2      TYR   3  55.620  -6.416  99.144
   28    HH   TYR   3           HH       TYR   3  58.793  -4.819  99.259
   29    H    LYS   4           HN       LYS   4  56.400  -7.382  91.582
   30    HA   LYS   4           HA       LYS   4  54.043  -8.989  90.725
   31    HB2  LYS   4           HB2      LYS   4  54.135  -6.850  89.565
   32    HB3  LYS   4           HB1      LYS   4  55.815  -7.130  89.122
   33    HG2  LYS   4           HG2      LYS   4  55.164  -9.053  87.743
   34    HG3  LYS   4           HG1      LYS   4  53.481  -8.862  88.230
   35    HD2  LYS   4           HD2      LYS   4  54.729  -6.394  87.096
   36    HD3  LYS   4           HD1      LYS   4  54.579  -7.726  85.956
   37    HE2  LYS   4           HE2      LYS   4  52.221  -6.971  87.663
   38    HE3  LYS   4           HE1      LYS   4  52.594  -6.039  86.212
   39    HZ1  LYS   4           HZ1      LYS   4  51.387  -7.627  85.218
   40    HZ2  LYS   4           HZ2      LYS   4  51.615  -8.754  86.468
   41    HZ3  LYS   4           HZ3      LYS   4  52.821  -8.528  85.294
   42    H    LEU   5           HN       LEU   5  54.458 -11.057  90.203
   43    HA   LEU   5           HA       LEU   5  57.254 -11.837  89.660
   44    HB2  LEU   5           HB2      LEU   5  56.282 -12.976  91.581
   45    HB3  LEU   5           HB1      LEU   5  54.900 -13.452  90.636
   46    HG   LEU   5           HG       LEU   5  56.816 -15.177  91.145
   47   HD11  LEU   5          HD11      LEU   5  55.525 -14.944  88.431
   48   HD12  LEU   5          HD12      LEU   5  54.914 -15.793  89.844
   49   HD13  LEU   5          HD13      LEU   5  56.359 -16.373  89.025
   50   HD21  LEU   5          HD21      LEU   5  57.945 -14.216  88.540
   51   HD22  LEU   5          HD22      LEU   5  58.629 -15.334  89.698
   52   HD23  LEU   5          HD23      LEU   5  58.575 -13.624  90.066
   53    H    ILE   6           HN       ILE   6  57.781 -12.516  87.667
   54    HA   ILE   6           HA       ILE   6  55.641 -12.788  85.647
   55    HB   ILE   6           HB       ILE   6  58.645 -12.736  85.247
   56   HG12  ILE   6          HG12      ILE   6  57.971 -10.628  86.264
   57   HG13  ILE   6          HG11      ILE   6  58.310 -10.363  84.557
   58   HG21  ILE   6          HG21      ILE   6  57.427 -13.756  83.420
   59   HG22  ILE   6          HG22      ILE   6  57.982 -12.160  82.914
   60   HG23  ILE   6          HG23      ILE   6  56.296 -12.404  83.370
   61   HD11  ILE   6          HD11      ILE   6  55.651 -10.482  85.961
   62   HD12  ILE   6          HD12      ILE   6  55.772 -10.724  84.220
   63   HD13  ILE   6          HD13      ILE   6  56.299  -9.204  84.937
   64    H    LEU   7           HN       LEU   7  55.163 -14.727  84.828
   65    HA   LEU   7           HA       LEU   7  56.588 -17.052  85.895
   66    HB2  LEU   7           HB2      LEU   7  54.104 -16.748  84.219
   67    HB3  LEU   7           HB1      LEU   7  54.808 -18.302  84.600
   68    HG   LEU   7           HG       LEU   7  54.635 -17.078  87.119
   69   HD11  LEU   7          HD11      LEU   7  52.484 -15.995  85.380
   70   HD12  LEU   7          HD12      LEU   7  53.175 -15.361  86.847
   71   HD13  LEU   7          HD13      LEU   7  51.962 -16.628  86.932
   72   HD21  LEU   7          HD21      LEU   7  52.914 -19.049  85.653
   73   HD22  LEU   7          HD22      LEU   7  52.562 -18.620  87.320
   74   HD23  LEU   7          HD23      LEU   7  54.109 -19.348  86.898
   75    H    ASN   8           HN       ASN   8  58.265 -17.820  84.835
   76    HA   ASN   8           HA       ASN   8  58.120 -18.110  81.918
   77    HB2  ASN   8           HB2      ASN   8  60.750 -17.739  82.148
   78    HB3  ASN   8           HB1      ASN   8  59.662 -16.381  81.892
   79   HD21  ASN   8          HD21      ASN   8  62.309 -17.055  83.622
   80   HD22  ASN   8          HD22      ASN   8  61.980 -16.208  85.055
   81    H    GLY   9           HN       GLY   9  57.457 -20.257  82.446
   82    HA2  GLY   9           HA2      GLY   9  59.611 -21.955  83.602
   83    HA3  GLY   9           HA1      GLY   9  57.900 -22.262  83.868
   84    H    LYS  10           HN       LYS  10  58.363 -24.405  82.992
   85    HA   LYS  10           HA       LYS  10  59.230 -24.734  80.320
   86    HB2  LYS  10           HB2      LYS  10  57.362 -26.686  81.674
   87    HB3  LYS  10           HB1      LYS  10  58.684 -27.013  80.550
   88    HG2  LYS  10           HG2      LYS  10  60.082 -25.789  82.560
   89    HG3  LYS  10           HG1      LYS  10  58.780 -26.513  83.501
   90    HD2  LYS  10           HD2      LYS  10  59.315 -28.719  82.593
   91    HD3  LYS  10           HD1      LYS  10  60.557 -28.014  81.557
   92    HE2  LYS  10           HE2      LYS  10  61.768 -27.221  83.567
   93    HE3  LYS  10           HE1      LYS  10  60.543 -27.973  84.590
   94    HZ1  LYS  10           HZ1      LYS  10  62.209 -29.558  84.466
   95    HZ2  LYS  10           HZ2      LYS  10  62.522 -29.265  82.823
   96    HZ3  LYS  10           HZ3      LYS  10  61.107 -30.083  83.287
   97    H    THR  11           HN       THR  11  55.862 -24.712  81.687
   98    HA   THR  11           HA       THR  11  55.059 -23.454  79.222
   99    HB   THR  11           HB       THR  11  52.972 -25.190  80.328
  100    HG1  THR  11           HG1      THR  11  54.537 -26.678  80.690
  101   HG21  THR  11          HG21      THR  11  54.342 -24.858  77.677
  102   HG22  THR  11          HG22      THR  11  52.975 -23.898  78.247
  103   HG23  THR  11          HG23      THR  11  52.792 -25.614  77.943
  104    H    LEU  12           HN       LEU  12  55.323 -23.163  82.529
  105    HA   LEU  12           HA       LEU  12  52.758 -21.838  82.690
  106    HB2  LEU  12           HB2      LEU  12  54.733 -22.632  84.655
  107    HB3  LEU  12           HB1      LEU  12  54.253 -20.961  84.926
  108    HG   LEU  12           HG       LEU  12  52.519 -23.349  84.773
  109   HD11  LEU  12          HD11      LEU  12  53.364 -23.313  86.897
  110   HD12  LEU  12          HD12      LEU  12  51.826 -22.484  87.077
  111   HD13  LEU  12          HD13      LEU  12  53.315 -21.553  86.977
  112   HD21  LEU  12          HD21      LEU  12  50.548 -22.057  84.836
  113   HD22  LEU  12          HD22      LEU  12  51.502 -21.060  83.795
  114   HD23  LEU  12          HD23      LEU  12  51.380 -20.702  85.488
  115    H    LYS  13           HN       LYS  13  52.442 -19.936  81.733
  116    HA   LYS  13           HA       LYS  13  54.443 -17.827  82.222
  117    HB2  LYS  13           HB2      LYS  13  53.456 -18.580  79.467
  118    HB3  LYS  13           HB1      LYS  13  54.237 -17.049  79.836
  119    HG2  LYS  13           HG2      LYS  13  56.193 -18.102  79.357
  120    HG3  LYS  13           HG1      LYS  13  56.027 -18.870  80.927
  121    HD2  LYS  13           HD2      LYS  13  54.529 -20.603  79.547
  122    HD3  LYS  13           HD1      LYS  13  55.474 -19.988  78.191
  123    HE2  LYS  13           HE2      LYS  13  56.729 -21.825  78.981
  124    HE3  LYS  13           HE1      LYS  13  57.535 -20.430  79.700
  125    HZ1  LYS  13           HZ1      LYS  13  55.345 -21.428  81.258
  126    HZ2  LYS  13           HZ2      LYS  13  56.922 -21.040  81.740
  127    HZ3  LYS  13           HZ3      LYS  13  56.587 -22.563  81.068
  128    H    GLY  14           HN       GLY  14  53.577 -15.992  82.741
  129    HA2  GLY  14           HA2      GLY  14  51.458 -14.597  81.657
  130    HA3  GLY  14           HA1      GLY  14  50.786 -15.535  82.963
  131    H    GLU  15           HN       GLU  15  50.387 -13.598  84.346
  132    HA   GLU  15           HA       GLU  15  52.966 -12.621  85.500
  133    HB2  GLU  15           HB2      GLU  15  50.484 -10.936  85.448
  134    HB3  GLU  15           HB1      GLU  15  52.119 -10.460  85.862
  135    HG2  GLU  15           HG2      GLU  15  51.401 -11.496  83.129
  136    HG3  GLU  15           HG1      GLU  15  51.273  -9.796  83.553
  137    H    THR  16           HN       THR  16  52.807 -11.862  87.751
  138    HA   THR  16           HA       THR  16  50.516 -12.843  89.283
  139    HB   THR  16           HB       THR  16  52.703 -13.720  90.821
  140    HG1  THR  16           HG1      THR  16  53.069 -14.053  88.085
  141   HG21  THR  16          HG21      THR  16  50.554 -14.801  90.785
  142   HG22  THR  16          HG22      THR  16  51.785 -15.971  90.311
  143   HG23  THR  16          HG23      THR  16  50.754 -15.231  89.086
  144    H    THR  17           HN       THR  17  50.165 -11.685  91.171
  145    HA   THR  17           HA       THR  17  52.279  -9.857  92.060
  146    HB   THR  17           HB       THR  17  49.569  -8.657  91.575
  147    HG1  THR  17           HG1      THR  17  51.599  -8.369  89.689
  148   HG21  THR  17          HG21      THR  17  50.744  -6.612  91.673
  149   HG22  THR  17          HG22      THR  17  52.294  -7.382  91.357
  150   HG23  THR  17          HG23      THR  17  51.513  -7.579  92.920
  151    H    THR  18           HN       THR  18  51.899  -8.822  94.062
  152    HA   THR  18           HA       THR  18  49.674  -9.628  95.710
  153    HB   THR  18           HB       THR  18  51.385 -11.529  95.798
  154    HG1  THR  18           HG1      THR  18  51.367 -11.254  98.264
  155   HG21  THR  18          HG21      THR  18  53.300  -9.734  95.896
  156   HG22  THR  18          HG22      THR  18  53.445 -11.208  96.855
  157   HG23  THR  18          HG23      THR  18  52.930  -9.707  97.619
  158    H    GLU  19           HN       GLU  19  49.603  -8.415  97.682
  159    HA   GLU  19           HA       GLU  19  51.129  -5.876  97.589
  160    HB2  GLU  19           HB2      GLU  19  48.593  -5.872  97.564
  161    HB3  GLU  19           HB1      GLU  19  48.641  -6.587  99.170
  162    HG2  GLU  19           HG2      GLU  19  48.503  -4.354  99.768
  163    HG3  GLU  19           HG1      GLU  19  50.254  -4.508  99.671
  164    H    ALA  20           HN       ALA  20  52.805  -5.703  99.027
  165    HA   ALA  20           HA       ALA  20  52.513  -6.804 101.718
  166    HB1  ALA  20           HB1      ALA  20  55.083  -7.702 101.013
  167    HB2  ALA  20           HB2      ALA  20  54.091  -8.106  99.614
  168    HB3  ALA  20           HB3      ALA  20  53.652  -8.716 101.206
  169    H    VAL  21           HN       VAL  21  54.244  -6.157 103.127
  170    HA   VAL  21           HA       VAL  21  55.105  -3.451 102.579
  171    HB   VAL  21           HB       VAL  21  54.429  -3.665 104.803
  172   HG11  VAL  21          HG11      VAL  21  53.943  -5.982 104.860
  173   HG12  VAL  21          HG12      VAL  21  55.100  -5.715 106.160
  174   HG13  VAL  21          HG13      VAL  21  55.634  -6.421 104.639
  175   HG21  VAL  21          HG21      VAL  21  56.354  -3.466 106.194
  176   HG22  VAL  21          HG22      VAL  21  56.925  -2.953 104.609
  177   HG23  VAL  21          HG23      VAL  21  57.292  -4.571 105.196
  178    H    ASP  22           HN       ASP  22  56.445  -6.669 103.110
  179    HA   ASP  22           HA       ASP  22  59.125  -5.625 102.387
  180    HB2  ASP  22           HB2      ASP  22  58.850  -6.873 104.540
  181    HB3  ASP  22           HB1      ASP  22  58.472  -8.302 103.582
  182    H    ALA  23           HN       ALA  23  60.415  -6.678 100.955
  183    HA   ALA  23           HA       ALA  23  59.082  -7.788  98.666
  184    HB1  ALA  23           HB1      ALA  23  62.003  -7.474  99.369
  185    HB2  ALA  23           HB2      ALA  23  61.042  -6.409  98.344
  186    HB3  ALA  23           HB3      ALA  23  61.404  -8.052  97.817
  187    H    ALA  24           HN       ALA  24  61.307  -9.017 101.147
  188    HA   ALA  24           HA       ALA  24  61.522 -11.655 100.198
  189    HB1  ALA  24           HB1      ALA  24  62.413 -12.217 102.341
  190    HB2  ALA  24           HB2      ALA  24  61.558 -10.889 103.125
  191    HB3  ALA  24           HB3      ALA  24  62.907 -10.551 102.041
  192    H    THR  25           HN       THR  25  58.963 -10.176 102.373
  193    HA   THR  25           HA       THR  25  57.709 -12.661 102.986
  194    HB   THR  25           HB       THR  25  57.424 -10.291 104.122
  195    HG1  THR  25           HG1      THR  25  56.483 -12.121 104.917
  196   HG21  THR  25          HG21      THR  25  55.706  -8.895 103.395
  197   HG22  THR  25          HG22      THR  25  54.833 -10.212 102.610
  198   HG23  THR  25          HG23      THR  25  56.250  -9.512 101.835
  199    H    ALA  26           HN       ALA  26  57.457 -10.437 100.275
  200    HA   ALA  26           HA       ALA  26  55.010 -11.444  99.221
  201    HB1  ALA  26           HB1      ALA  26  55.413 -10.059  97.364
  202    HB2  ALA  26           HB2      ALA  26  57.164 -10.178  97.537
  203    HB3  ALA  26           HB3      ALA  26  56.228  -9.218  98.682
  204    H    GLU  27           HN       GLU  27  58.356 -12.274  98.848
  205    HA   GLU  27           HA       GLU  27  58.083 -14.048  96.647
  206    HB2  GLU  27           HB2      GLU  27  60.352 -14.086  96.729
  207    HB3  GLU  27           HB1      GLU  27  60.196 -12.879  97.998
  208    HG2  GLU  27           HG2      GLU  27  60.116 -14.742  99.678
  209    HG3  GLU  27           HG1      GLU  27  60.433 -15.871  98.379
  210    H    LYS  28           HN       LYS  28  57.740 -14.458 100.101
  211    HA   LYS  28           HA       LYS  28  58.076 -17.208 100.352
  212    HB2  LYS  28           HB2      LYS  28  56.057 -15.373 101.671
  213    HB3  LYS  28           HB1      LYS  28  56.356 -17.032 102.183
  214    HG2  LYS  28           HG2      LYS  28  58.765 -16.434 102.490
  215    HG3  LYS  28           HG1      LYS  28  58.351 -14.756 102.150
  216    HD2  LYS  28           HD2      LYS  28  56.714 -14.847 104.067
  217    HD3  LYS  28           HD1      LYS  28  57.311 -16.464 104.441
  218    HE2  LYS  28           HE2      LYS  28  59.486 -15.657 105.009
  219    HE3  LYS  28           HE1      LYS  28  59.207 -14.107 104.229
  220    HZ1  LYS  28           HZ1      LYS  28  59.108 -14.104 106.814
  221    HZ2  LYS  28           HZ2      LYS  28  57.637 -14.941 106.682
  222    HZ3  LYS  28           HZ3      LYS  28  57.782 -13.376 106.040
  223    H    VAL  29           HN       VAL  29  55.208 -15.376  99.338
  224    HA   VAL  29           HA       VAL  29  53.577 -17.692  98.962
  225    HB   VAL  29           HB       VAL  29  53.234 -14.992  97.651
  226   HG11  VAL  29          HG11      VAL  29  51.764 -16.768  96.818
  227   HG12  VAL  29          HG12      VAL  29  50.836 -15.626  97.790
  228   HG13  VAL  29          HG13      VAL  29  51.305 -17.185  98.468
  229   HG21  VAL  29          HG21      VAL  29  52.442 -15.950 100.419
  230   HG22  VAL  29          HG22      VAL  29  51.837 -14.472  99.671
  231   HG23  VAL  29          HG23      VAL  29  53.553 -14.634 100.039
  232    H    PHE  30           HN       PHE  30  55.260 -15.533  96.681
  233    HA   PHE  30           HA       PHE  30  54.614 -16.887  94.325
  234    HB2  PHE  30           HB2      PHE  30  57.029 -15.205  94.929
  235    HB3  PHE  30           HB1      PHE  30  56.511 -15.691  93.329
  236    HD1  PHE  30           HD2      PHE  30  53.676 -15.256  93.146
  237    HD2  PHE  30           HD1      PHE  30  56.586 -12.955  95.322
  238    HE1  PHE  30           HE2      PHE  30  52.200 -13.278  93.051
  239    HE2  PHE  30           HE1      PHE  30  55.116 -10.991  95.205
  240    HZ   PHE  30           HZ       PHE  30  52.925 -11.143  94.072
  241    H    LYS  31           HN       LYS  31  57.554 -17.235  96.360
  242    HA   LYS  31           HA       LYS  31  58.738 -19.085  94.530
  243    HB2  LYS  31           HB2      LYS  31  59.386 -17.964  97.180
  244    HB3  LYS  31           HB1      LYS  31  60.052 -19.549  96.884
  245    HG2  LYS  31           HG2      LYS  31  61.292 -18.806  95.024
  246    HG3  LYS  31           HG1      LYS  31  60.324 -17.359  94.844
  247    HD2  LYS  31           HD2      LYS  31  61.525 -16.178  96.387
  248    HD3  LYS  31           HD1      LYS  31  61.632 -17.547  97.484
  249    HE2  LYS  31           HE2      LYS  31  63.334 -18.126  95.247
  250    HE3  LYS  31           HE1      LYS  31  63.690 -16.498  95.809
  251    HZ1  LYS  31           HZ1      LYS  31  64.335 -17.221  97.822
  252    HZ2  LYS  31           HZ2      LYS  31  64.691 -18.637  96.954
  253    HZ3  LYS  31           HZ3      LYS  31  63.251 -18.525  97.849
  254    H    GLN  32           HN       GLN  32  56.744 -19.415  97.415
  255    HA   GLN  32           HA       GLN  32  56.962 -22.275  97.531
  256    HB2  GLN  32           HB2      GLN  32  56.317 -20.742  99.441
  257    HB3  GLN  32           HB1      GLN  32  54.758 -20.533  98.642
  258    HG2  GLN  32           HG2      GLN  32  54.473 -23.022  98.666
  259    HG3  GLN  32           HG1      GLN  32  55.958 -23.143  99.608
  260   HE21  GLN  32          HE21      GLN  32  52.606 -23.091  99.983
  261   HE22  GLN  32          HE22      GLN  32  52.518 -22.464 101.558
  262    H    TYR  33           HN       TYR  33  54.916 -19.906  96.009
  263    HA   TYR  33           HA       TYR  33  52.835 -21.629  95.152
  264    HB2  TYR  33           HB2      TYR  33  52.383 -19.311  95.300
  265    HB3  TYR  33           HB1      TYR  33  53.826 -18.911  94.377
  266    HD1  TYR  33           HD1      TYR  33  50.467 -20.443  94.169
  267    HD2  TYR  33           HD2      TYR  33  53.836 -18.897  91.997
  268    HE1  TYR  33           HE1      TYR  33  49.153 -20.530  92.069
  269    HE2  TYR  33           HE2      TYR  33  52.521 -18.984  89.896
  270    HH   TYR  33           HH       TYR  33  50.208 -19.013  89.178
  271    H    ALA  34           HN       ALA  34  55.844 -20.461  93.682
  272    HA   ALA  34           HA       ALA  34  55.410 -21.385  91.070
  273    HB1  ALA  34           HB1      ALA  34  58.209 -21.571  92.019
  274    HB2  ALA  34           HB2      ALA  34  57.436 -20.026  92.355
  275    HB3  ALA  34           HB3      ALA  34  57.533 -20.614  90.699
  276    H    ASN  35           HN       ASN  35  56.636 -23.131  93.979
  277    HA   ASN  35           HA       ASN  35  57.357 -25.463  92.513
  278    HB2  ASN  35           HB2      ASN  35  58.041 -24.628  94.923
  279    HB3  ASN  35           HB1      ASN  35  56.606 -25.524  95.422
  280   HD21  ASN  35          HD21      ASN  35  56.941 -27.809  95.759
  281   HD22  ASN  35          HD22      ASN  35  58.268 -28.668  95.140
  282    H    ASP  36           HN       ASP  36  54.531 -24.469  94.435
  283    HA   ASP  36           HA       ASP  36  53.081 -26.878  94.164
  284    HB2  ASP  36           HB2      ASP  36  51.798 -24.196  94.589
  285    HB3  ASP  36           HB1      ASP  36  51.345 -25.762  95.262
  286    H    ASN  37           HN       ASN  37  53.365 -24.109  91.972
  287    HA   ASN  37           HA       ASN  37  50.960 -24.934  90.537
  288    HB2  ASN  37           HB2      ASN  37  51.247 -22.951  89.257
  289    HB3  ASN  37           HB1      ASN  37  51.536 -22.549  90.945
  290   HD21  ASN  37          HD21      ASN  37  52.683 -20.710  89.371
  291   HD22  ASN  37          HD22      ASN  37  54.346 -20.976  89.167
  292    H    GLY  38           HN       GLY  38  54.463 -25.383  90.194
  293    HA2  GLY  38           HA2      GLY  38  54.899 -27.442  88.808
  294    HA3  GLY  38           HA1      GLY  38  53.962 -26.662  87.549
  295    H    VAL  39           HN       VAL  39  55.634 -24.112  88.796
  296    HA   VAL  39           HA       VAL  39  57.986 -24.610  87.032
  297    HB   VAL  39           HB       VAL  39  56.667 -23.024  85.877
  298   HG11  VAL  39          HG11      VAL  39  56.442 -21.367  88.391
  299   HG12  VAL  39          HG12      VAL  39  55.215 -22.509  87.885
  300   HG13  VAL  39          HG13      VAL  39  55.599 -21.136  86.864
  301   HG21  VAL  39          HG21      VAL  39  58.034 -21.053  85.835
  302   HG22  VAL  39          HG22      VAL  39  59.098 -22.388  86.254
  303   HG23  VAL  39          HG23      VAL  39  58.539 -21.292  87.504
  304    H    ASP  40           HN       ASP  40  59.671 -24.932  88.269
  305    HA   ASP  40           HA       ASP  40  60.273 -22.976  90.418
  306    HB2  ASP  40           HB2      ASP  40  59.583 -25.371  91.169
  307    HB3  ASP  40           HB1      ASP  40  61.150 -25.863  90.534
  308    H    GLY  41           HN       GLY  41  61.972 -21.750  89.550
  309    HA2  GLY  41           HA2      GLY  41  64.262 -23.277  88.460
  310    HA3  GLY  41           HA1      GLY  41  63.555 -22.003  87.486
  311    H    GLU  42           HN       GLU  42  65.594 -20.847  87.491
  312    HA   GLU  42           HA       GLU  42  66.809 -20.039  89.923
  313    HB2  GLU  42           HB2      GLU  42  67.284 -18.656  87.320
  314    HB3  GLU  42           HB1      GLU  42  68.438 -19.067  88.581
  315    HG2  GLU  42           HG2      GLU  42  67.999 -21.514  88.009
  316    HG3  GLU  42           HG1      GLU  42  67.143 -20.939  86.584
  317    H    TRP  43           HN       TRP  43  66.842 -17.876  90.755
  318    HA   TRP  43           HA       TRP  43  64.451 -16.277  90.009
  319    HB2  TRP  43           HB2      TRP  43  65.599 -16.941  92.710
  320    HB3  TRP  43           HB1      TRP  43  64.323 -15.755  92.444
  321    HD1  TRP  43           HD1      TRP  43  64.941 -19.580  92.168
  322    HE1  TRP  43           HE1      TRP  43  62.627 -20.724  92.179
  323    HE3  TRP  43           HE3      TRP  43  61.993 -15.474  92.079
  324    HZ2  TRP  43           HZ2      TRP  43  59.860 -19.951  92.188
  325    HZ3  TRP  43           HZ3      TRP  43  59.549 -15.677  92.111
  326    HH2  TRP  43           HH2      TRP  43  58.465 -17.902  92.166
  327    H    THR  44           HN       THR  44  64.505 -14.231  90.111
  328    HA   THR  44           HA       THR  44  66.842 -12.783  91.085
  329    HB   THR  44           HB       THR  44  67.026 -12.756  88.695
  330    HG1  THR  44           HG1      THR  44  66.647 -10.648  90.165
  331   HG21  THR  44          HG21      THR  44  64.088 -12.119  88.814
  332   HG22  THR  44          HG22      THR  44  64.881 -13.450  87.977
  333   HG23  THR  44          HG23      THR  44  65.052 -11.803  87.376
  334    H    TYR  45           HN       TYR  45  66.187 -10.391  91.746
  335    HA   TYR  45           HA       TYR  45  63.265 -10.206  91.946
  336    HB2  TYR  45           HB2      TYR  45  63.597 -11.090  94.086
  337    HB3  TYR  45           HB1      TYR  45  65.098 -10.195  94.319
  338    HD1  TYR  45           HD1      TYR  45  61.707  -9.069  93.083
  339    HD2  TYR  45           HD2      TYR  45  64.781  -8.666  96.059
  340    HE1  TYR  45           HE1      TYR  45  60.521  -7.136  94.050
  341    HE2  TYR  45           HE2      TYR  45  63.578  -6.737  97.032
  342    HH   TYR  45           HH       TYR  45  61.791  -5.442  96.914
  343    H    ASP  46           HN       ASP  46  62.681  -8.370  91.139
  344    HA   ASP  46           HA       ASP  46  64.671  -6.264  91.116
  345    HB2  ASP  46           HB2      ASP  46  63.084  -6.690  89.044
  346    HB3  ASP  46           HB1      ASP  46  61.871  -5.902  90.041
  347    H    ASP  47           HN       ASP  47  64.911  -5.110  92.894
  348    HA   ASP  47           HA       ASP  47  62.457  -4.541  94.486
  349    HB2  ASP  47           HB2      ASP  47  64.813  -5.355  95.481
  350    HB3  ASP  47           HB1      ASP  47  65.156  -3.627  95.397
  351    H    ALA  48           HN       ALA  48  64.325  -3.483  92.099
  352    HA   ALA  48           HA       ALA  48  64.404  -0.672  92.611
  353    HB1  ALA  48           HB1      ALA  48  65.702  -0.664  90.674
  354    HB2  ALA  48           HB2      ALA  48  64.772  -1.956  89.920
  355    HB3  ALA  48           HB3      ALA  48  65.926  -2.333  91.199
  356    H    THR  49           HN       THR  49  62.249  -2.956  91.036
  357    HA   THR  49           HA       THR  49  60.255  -0.876  90.411
  358    HB   THR  49           HB       THR  49  59.613  -2.538  88.469
  359    HG1  THR  49           HG1      THR  49  61.412  -3.939  89.409
  360   HG21  THR  49          HG21      THR  49  61.414  -1.495  86.979
  361   HG22  THR  49          HG22      THR  49  61.979  -0.681  88.439
  362   HG23  THR  49          HG23      THR  49  60.344  -0.391  87.842
  363    H    LYS  50           HN       LYS  50  61.044  -3.443  92.336
  364    HA   LYS  50           HA       LYS  50  59.849  -4.965  93.565
  365    HB2  LYS  50           HB2      LYS  50  57.309  -3.603  92.674
  366    HB3  LYS  50           HB1      LYS  50  57.647  -4.414  94.202
  367    HG2  LYS  50           HG2      LYS  50  58.909  -1.808  93.286
  368    HG3  LYS  50           HG1      LYS  50  57.614  -1.957  94.468
  369    HD2  LYS  50           HD2      LYS  50  59.113  -3.348  95.890
  370    HD3  LYS  50           HD1      LYS  50  60.412  -3.093  94.729
  371    HE2  LYS  50           HE2      LYS  50  60.525  -0.781  95.168
  372    HE3  LYS  50           HE1      LYS  50  58.959  -0.771  95.977
  373    HZ1  LYS  50           HZ1      LYS  50  60.272  -0.861  97.792
  374    HZ2  LYS  50           HZ2      LYS  50  61.564  -1.598  96.973
  375    HZ3  LYS  50           HZ3      LYS  50  60.233  -2.526  97.477
  376    H    THR  51           HN       THR  51  60.663  -6.000  91.248
  377    HA   THR  51           HA       THR  51  58.325  -7.596  90.377
  378    HB   THR  51           HB       THR  51  60.299  -6.291  88.476
  379    HG1  THR  51           HG1      THR  51  58.550  -5.202  87.800
  380   HG21  THR  51          HG21      THR  51  58.256  -8.480  88.055
  381   HG22  THR  51          HG22      THR  51  59.969  -8.507  87.641
  382   HG23  THR  51          HG23      THR  51  58.858  -7.481  86.733
  383    H    PHE  52           HN       PHE  52  58.666  -9.776  90.494
  384    HA   PHE  52           HA       PHE  52  61.425 -10.813  90.718
  385    HB2  PHE  52           HB2      PHE  52  58.709 -11.865  91.506
  386    HB3  PHE  52           HB1      PHE  52  60.172 -12.841  91.586
  387    HD1  PHE  52           HD2      PHE  52  58.634  -9.653  92.823
  388    HD2  PHE  52           HD1      PHE  52  61.567 -12.731  93.458
  389    HE1  PHE  52           HE2      PHE  52  59.079  -8.787  95.115
  390    HE2  PHE  52           HE1      PHE  52  61.983 -11.870  95.740
  391    HZ   PHE  52           HZ       PHE  52  60.736  -9.901  96.567
  392    H    THR  53           HN       THR  53  61.963 -12.782  89.483
  393    HA   THR  53           HA       THR  53  59.992 -13.695  87.516
  394    HB   THR  53           HB       THR  53  61.442 -13.499  85.588
  395    HG1  THR  53           HG1      THR  53  63.396 -13.665  86.801
  396   HG21  THR  53          HG21      THR  53  60.066 -11.441  86.505
  397   HG22  THR  53          HG22      THR  53  61.141 -11.239  85.143
  398   HG23  THR  53          HG23      THR  53  61.656 -10.747  86.755
  399    H    VAL  54           HN       VAL  54  60.092 -15.982  87.373
  400    HA   VAL  54           HA       VAL  54  62.597 -17.249  88.333
  401    HB   VAL  54           HB       VAL  54  60.664 -17.693  89.784
  402   HG11  VAL  54          HG11      VAL  54  58.710 -18.806  88.979
  403   HG12  VAL  54          HG12      VAL  54  59.468 -19.172  87.431
  404   HG13  VAL  54          HG13      VAL  54  59.020 -17.513  87.822
  405   HG21  VAL  54          HG21      VAL  54  60.961 -20.116  89.865
  406   HG22  VAL  54          HG22      VAL  54  62.503 -19.388  89.415
  407   HG23  VAL  54          HG23      VAL  54  61.494 -20.146  88.183
  408    H    THR  55           HN       THR  55  63.734 -18.487  86.916
  409    HA   THR  55           HA       THR  55  62.382 -19.445  84.449
  410    HB   THR  55           HB       THR  55  64.098 -17.437  84.335
  411    HG1  THR  55           HG1      THR  55  63.141 -18.843  82.626
  412   HG21  THR  55          HG21      THR  55  65.833 -18.785  85.610
  413   HG22  THR  55          HG22      THR  55  66.400 -18.089  84.109
  414   HG23  THR  55          HG23      THR  55  66.001 -19.793  84.179
  415    H    GLU  56           HN       GLU  56  62.461 -21.657  84.144
  416    HA   GLU  56           HA       GLU  56  64.592 -23.171  85.564
  417    HB2  GLU  56           HB2      GLU  56  62.825 -25.098  85.151
  418    HB3  GLU  56           HB1      GLU  56  62.636 -23.989  86.510
  419    HG2  GLU  56           HG2      GLU  56  61.115 -22.601  85.225
  420    HG3  GLU  56           HG1      GLU  56  61.344 -23.612  83.800
  421    H1   MET   1           HT1      MET   1  69.434 -22.849  70.072
  422    H2   MET   1           HT2      MET   1  68.830 -24.348  70.597
  423    H3   MET   1           HT3      MET   1  70.180 -24.286  69.568
  424    HA   MET   1           HA       MET   1  70.635 -24.755  71.975
  425    HB2  MET   1           HB2      MET   1  72.727 -24.110  71.338
  426    HB3  MET   1           HB1      MET   1  72.002 -23.285  69.976
  427    HG2  MET   1           HG2      MET   1  71.662 -21.296  71.660
  428    HG3  MET   1           HG1      MET   1  72.852 -22.151  72.637
  429    HE1  MET   1           HE1      MET   1  72.753 -21.765  68.490
  430    HE2  MET   1           HE2      MET   1  73.192 -20.078  68.657
  431    HE3  MET   1           HE3      MET   1  71.763 -20.690  69.484
  432    H    GLN   2           HN       GLN   2  71.451 -23.112  73.884
  433    HA   GLN   2           HA       GLN   2  69.187 -21.268  74.439
  434    HB2  GLN   2           HB2      GLN   2  70.533 -23.260  76.274
  435    HB3  GLN   2           HB1      GLN   2  69.456 -21.984  76.838
  436    HG2  GLN   2           HG2      GLN   2  67.621 -22.880  75.525
  437    HG3  GLN   2           HG1      GLN   2  68.684 -24.077  74.787
  438   HE21  GLN   2          HE21      GLN   2  70.018 -24.300  77.727
  439   HE22  GLN   2          HE22      GLN   2  68.948 -25.353  78.520
  440    H    TYR   3           HN       TYR   3  69.625 -19.402  75.501
  441    HA   TYR   3           HA       TYR   3  72.467 -18.750  76.033
  442    HB2  TYR   3           HB2      TYR   3  70.231 -16.850  75.342
  443    HB3  TYR   3           HB1      TYR   3  71.938 -16.461  75.544
  444    HD1  TYR   3           HD1      TYR   3  73.611 -17.227  73.900
  445    HD2  TYR   3           HD2      TYR   3  69.409 -17.943  73.373
  446    HE1  TYR   3           HE1      TYR   3  73.995 -17.731  71.504
  447    HE2  TYR   3           HE2      TYR   3  69.799 -18.457  70.981
  448    HH   TYR   3           HH       TYR   3  73.064 -18.285  69.577
  449    H    LYS   4           HN       LYS   4  72.907 -17.734  77.957
  450    HA   LYS   4           HA       LYS   4  70.647 -17.583  79.892
  451    HB2  LYS   4           HB2      LYS   4  72.146 -19.441  80.395
  452    HB3  LYS   4           HB1      LYS   4  73.536 -18.364  80.347
  453    HG2  LYS   4           HG2      LYS   4  72.670 -17.120  82.284
  454    HG3  LYS   4           HG1      LYS   4  71.232 -18.137  82.319
  455    HD2  LYS   4           HD2      LYS   4  73.801 -19.658  82.360
  456    HD3  LYS   4           HD1      LYS   4  73.547 -18.641  83.772
  457    HE2  LYS   4           HE2      LYS   4  71.319 -20.418  82.811
  458    HE3  LYS   4           HE1      LYS   4  72.627 -21.092  83.784
  459    HZ1  LYS   4           HZ1      LYS   4  71.347 -20.389  85.471
  460    HZ2  LYS   4           HZ2      LYS   4  70.528 -19.235  84.531
  461    HZ3  LYS   4           HZ3      LYS   4  72.068 -18.887  85.158
  462    H    LEU   5           HN       LEU   5  70.272 -15.623  80.742
  463    HA   LEU   5           HA       LEU   5  72.395 -13.563  80.541
  464    HB2  LEU   5           HB2      LEU   5  70.360 -12.977  79.331
  465    HB3  LEU   5           HB1      LEU   5  69.385 -13.325  80.730
  466    HG   LEU   5           HG       LEU   5  69.940 -10.838  80.082
  467   HD11  LEU   5          HD11      LEU   5  70.057 -11.810  82.935
  468   HD12  LEU   5          HD12      LEU   5  68.624 -11.368  82.012
  469   HD13  LEU   5          HD13      LEU   5  69.807 -10.141  82.445
  470   HD21  LEU   5          HD21      LEU   5  72.264 -11.208  81.933
  471   HD22  LEU   5          HD22      LEU   5  71.872  -9.850  80.901
  472   HD23  LEU   5          HD23      LEU   5  72.473 -11.335  80.195
  473    H    ILE   6           HN       ILE   6  73.268 -12.800  82.387
  474    HA   ILE   6           HA       ILE   6  72.195 -13.782  84.960
  475    HB   ILE   6           HB       ILE   6  74.775 -12.285  84.431
  476   HG12  ILE   6          HG12      ILE   6  74.797 -14.366  83.146
  477   HG13  ILE   6          HG11      ILE   6  75.872 -14.517  84.532
  478   HG21  ILE   6          HG21      ILE   6  74.037 -12.185  86.729
  479   HG22  ILE   6          HG22      ILE   6  75.400 -13.299  86.624
  480   HG23  ILE   6          HG23      ILE   6  73.756 -13.926  86.759
  481   HD11  ILE   6          HD11      ILE   6  73.149 -15.727  84.106
  482   HD12  ILE   6          HD12      ILE   6  73.832 -15.568  85.722
  483   HD13  ILE   6          HD13      ILE   6  74.662 -16.534  84.507
  484    H    LEU   7           HN       LEU   7  71.238 -12.428  86.341
  485    HA   LEU   7           HA       LEU   7  70.907  -9.642  85.503
  486    HB2  LEU   7           HB2      LEU   7  69.666 -11.296  87.704
  487    HB3  LEU   7           HB1      LEU   7  69.389  -9.573  87.529
  488    HG   LEU   7           HG       LEU   7  68.899 -10.569  84.937
  489   HD11  LEU   7          HD11      LEU   7  67.206 -12.289  86.678
  490   HD12  LEU   7          HD12      LEU   7  68.823 -12.860  86.311
  491   HD13  LEU   7          HD13      LEU   7  67.693 -12.502  85.018
  492   HD21  LEU   7          HD21      LEU   7  67.096  -9.868  87.231
  493   HD22  LEU   7          HD22      LEU   7  66.484 -10.171  85.612
  494   HD23  LEU   7          HD23      LEU   7  67.599  -8.839  85.905
  495    H    ASN   8           HN       ASN   8  72.315  -8.206  86.138
  496    HA   ASN   8           HA       ASN   8  73.210  -8.188  88.934
  497    HB2  ASN   8           HB2      ASN   8  75.418  -7.244  87.863
  498    HB3  ASN   8           HB1      ASN   8  75.184  -8.984  87.992
  499   HD21  ASN   8          HD21      ASN   8  76.377  -6.827  85.868
  500   HD22  ASN   8          HD22      ASN   8  75.916  -7.547  84.401
  501    H    GLY   9           HN       GLY   9  71.542  -6.613  89.175
  502    HA2  GLY   9           HA2      GLY   9  72.117  -4.009  87.852
  503    HA3  GLY   9           HA1      GLY   9  70.485  -4.567  88.199
  504    H    LYS  10           HN       LYS  10  70.202  -2.588  89.392
  505    HA   LYS  10           HA       LYS  10  71.797  -1.995  91.659
  506    HB2  LYS  10           HB2      LYS  10  68.902  -1.162  91.415
  507    HB3  LYS  10           HB1      LYS  10  70.249  -0.285  92.143
  508    HG2  LYS  10           HG2      LYS  10  71.199  -0.535  89.590
  509    HG3  LYS  10           HG1      LYS  10  69.469  -0.509  89.261
  510    HD2  LYS  10           HD2      LYS  10  69.262   1.612  90.493
  511    HD3  LYS  10           HD1      LYS  10  70.989   1.577  90.851
  512    HE2  LYS  10           HE2      LYS  10  71.489   1.620  88.431
  513    HE3  LYS  10           HE1      LYS  10  69.761   1.676  88.080
  514    HZ1  LYS  10           HZ1      LYS  10  70.416   3.887  88.031
  515    HZ2  LYS  10           HZ2      LYS  10  71.451   3.726  89.368
  516    HZ3  LYS  10           HZ3      LYS  10  69.766   3.719  89.589
  517    H    THR  11           HN       THR  11  68.556  -3.626  91.427
  518    HA   THR  11           HA       THR  11  69.400  -5.218  93.675
  519    HB   THR  11           HB       THR  11  66.501  -4.654  93.607
  520    HG1  THR  11           HG1      THR  11  67.061  -2.568  93.292
  521   HG21  THR  11          HG21      THR  11  68.671  -4.574  95.679
  522   HG22  THR  11          HG22      THR  11  67.792  -6.029  95.200
  523   HG23  THR  11          HG23      THR  11  66.954  -4.698  95.974
  524    H    LEU  12           HN       LEU  12  68.484  -5.184  90.451
  525    HA   LEU  12           HA       LEU  12  66.955  -7.617  90.797
  526    HB2  LEU  12           HB2      LEU  12  67.455  -5.857  88.543
  527    HB3  LEU  12           HB1      LEU  12  67.710  -7.531  88.069
  528    HG   LEU  12           HG       LEU  12  65.307  -6.331  89.277
  529   HD11  LEU  12          HD11      LEU  12  65.156  -5.859  87.050
  530   HD12  LEU  12          HD12      LEU  12  64.261  -7.366  87.159
  531   HD13  LEU  12          HD13      LEU  12  65.923  -7.374  86.588
  532   HD21  LEU  12          HD21      LEU  12  64.237  -8.428  89.512
  533   HD22  LEU  12          HD22      LEU  12  65.835  -8.836  90.025
  534   HD23  LEU  12          HD23      LEU  12  65.322  -9.175  88.408
  535    H    LYS  13           HN       LYS  13  67.943  -9.484  91.326
  536    HA   LYS  13           HA       LYS  13  70.296 -10.241  89.726
  537    HB2  LYS  13           HB2      LYS  13  70.292 -10.239  92.749
  538    HB3  LYS  13           HB1      LYS  13  71.455 -11.132  91.781
  539    HG2  LYS  13           HG2      LYS  13  72.727  -9.251  91.857
  540    HG3  LYS  13           HG1      LYS  13  71.624  -8.607  90.653
  541    HD2  LYS  13           HD2      LYS  13  70.189  -7.951  92.819
  542    HD3  LYS  13           HD1      LYS  13  71.765  -8.047  93.604
  543    HE2  LYS  13           HE2      LYS  13  71.578  -5.791  92.906
  544    HE3  LYS  13           HE1      LYS  13  72.600  -6.545  91.679
  545    HZ1  LYS  13           HZ1      LYS  13  69.757  -6.719  91.203
  546    HZ2  LYS  13           HZ2      LYS  13  71.014  -6.369  90.123
  547    HZ3  LYS  13           HZ3      LYS  13  70.390  -5.150  91.126
  548    H    GLY  14           HN       GLY  14  70.245 -12.215  89.073
  549    HA2  GLY  14           HA2      GLY  14  69.694 -14.569  90.380
  550    HA3  GLY  14           HA1      GLY  14  68.169 -14.078  89.687
  551    H    GLU  15           HN       GLU  15  68.199 -15.847  88.007
  552    HA   GLU  15           HA       GLU  15  70.207 -15.236  85.879
  553    HB2  GLU  15           HB2      GLU  15  69.066 -17.989  86.220
  554    HB3  GLU  15           HB1      GLU  15  70.449 -17.483  85.272
  555    HG2  GLU  15           HG2      GLU  15  70.394 -17.165  88.264
  556    HG3  GLU  15           HG1      GLU  15  70.906 -18.658  87.500
  557    H    THR  16           HN       THR  16  69.528 -15.886  83.672
  558    HA   THR  16           HA       THR  16  66.628 -16.087  83.252
  559    HB   THR  16           HB       THR  16  67.422 -14.169  81.352
  560    HG1  THR  16           HG1      THR  16  68.669 -13.877  83.816
  561   HG21  THR  16          HG21      THR  16  65.228 -14.268  82.334
  562   HG22  THR  16          HG22      THR  16  65.924 -12.682  82.668
  563   HG23  THR  16          HG23      THR  16  65.883 -13.911  83.932
  564    H    THR  17           HN       THR  17  66.086 -17.159  81.338
  565    HA   THR  17           HA       THR  17  68.253 -17.635  79.415
  566    HB   THR  17           HB       THR  17  66.782 -20.062  80.395
  567    HG1  THR  17           HG1      THR  17  69.266 -19.414  81.468
  568   HG21  THR  17          HG21      THR  17  68.618 -21.222  79.469
  569   HG22  THR  17          HG22      THR  17  69.645 -19.793  79.483
  570   HG23  THR  17          HG23      THR  17  68.333 -19.927  78.317
  571    H    THR  18           HN       THR  18  67.621 -18.618  77.446
  572    HA   THR  18           HA       THR  18  64.820 -18.915  76.825
  573    HB   THR  18           HB       THR  18  65.369 -16.415  76.659
  574    HG1  THR  18           HG1      THR  18  64.508 -16.564  74.311
  575   HG21  THR  18          HG21      THR  18  67.647 -17.035  75.521
  576   HG22  THR  18          HG22      THR  18  66.745 -15.636  74.935
  577   HG23  THR  18          HG23      THR  18  66.674 -17.161  74.058
  578    H    GLU  19           HN       GLU  19  64.518 -19.912  74.768
  579    HA   GLU  19           HA       GLU  19  66.912 -21.337  73.757
  580    HB2  GLU  19           HB2      GLU  19  64.940 -22.659  74.606
  581    HB3  GLU  19           HB1      GLU  19  63.968 -21.931  73.333
  582    HG2  GLU  19           HG2      GLU  19  64.606 -23.890  72.262
  583    HG3  GLU  19           HG1      GLU  19  65.929 -22.845  71.764
  584    H    ALA  20           HN       ALA  20  67.777 -20.351  72.020
  585    HA   ALA  20           HA       ALA  20  66.004 -19.512  69.815
  586    HB1  ALA  20           HB1      ALA  20  67.999 -17.559  69.792
  587    HB2  ALA  20           HB2      ALA  20  67.640 -17.746  71.506
  588    HB3  ALA  20           HB3      ALA  20  66.353 -17.327  70.381
  589    H    VAL  21           HN       VAL  21  67.150 -19.202  67.797
  590    HA   VAL  21           HA       VAL  21  69.184 -21.226  67.387
  591    HB   VAL  21           HB       VAL  21  67.654 -21.179  65.611
  592   HG11  VAL  21          HG11      VAL  21  66.367 -19.251  66.202
  593   HG12  VAL  21          HG12      VAL  21  66.952 -18.964  64.565
  594   HG13  VAL  21          HG13      VAL  21  67.730 -18.170  65.928
  595   HG21  VAL  21          HG21      VAL  21  68.865 -20.485  63.696
  596   HG22  VAL  21          HG22      VAL  21  70.119 -20.780  64.899
  597   HG23  VAL  21          HG23      VAL  21  69.609 -19.129  64.544
  598    H    ASP  22           HN       ASP  22  68.798 -17.723  67.266
  599    HA   ASP  22           HA       ASP  22  71.723 -17.422  66.851
  600    HB2  ASP  22           HB2      ASP  22  70.243 -16.383  65.161
  601    HB3  ASP  22           HB1      ASP  22  69.545 -15.380  66.430
  602    H    ALA  23           HN       ALA  23  72.852 -15.804  67.932
  603    HA   ALA  23           HA       ALA  23  72.219 -15.582  70.724
  604    HB1  ALA  23           HB1      ALA  23  74.420 -14.362  69.048
  605    HB2  ALA  23           HB2      ALA  23  74.529 -15.824  70.027
  606    HB3  ALA  23           HB3      ALA  23  74.326 -14.255  70.804
  607    H    ALA  24           HN       ALA  24  72.434 -13.288  68.013
  608    HA   ALA  24           HA       ALA  24  71.806 -10.961  69.476
  609    HB1  ALA  24           HB1      ALA  24  71.440  -9.895  67.370
  610    HB2  ALA  24           HB2      ALA  24  71.044 -11.423  66.583
  611    HB3  ALA  24           HB3      ALA  24  72.703 -11.093  67.084
  612    H    THR  25           HN       THR  25  69.567 -13.387  67.869
  613    HA   THR  25           HA       THR  25  67.196 -11.884  68.271
  614    HB   THR  25           HB       THR  25  67.652 -14.055  66.815
  615    HG1  THR  25           HG1      THR  25  65.759 -12.853  66.788
  616   HG21  THR  25          HG21      THR  25  67.082 -16.127  67.738
  617   HG22  THR  25          HG22      THR  25  66.155 -15.401  69.052
  618   HG23  THR  25          HG23      THR  25  67.915 -15.377  69.099
  619    H    ALA  26           HN       ALA  26  69.025 -14.045  70.366
  620    HA   ALA  26           HA       ALA  26  67.004 -14.417  72.334
  621    HB1  ALA  26           HB1      ALA  26  68.635 -15.551  73.568
  622    HB2  ALA  26           HB2      ALA  26  69.942 -14.531  72.971
  623    HB3  ALA  26           HB3      ALA  26  69.218 -15.744  71.916
  624    H    GLU  27           HN       GLU  27  69.506 -12.052  71.833
  625    HA   GLU  27           HA       GLU  27  69.395 -10.756  74.347
  626    HB2  GLU  27           HB2      GLU  27  71.091  -9.494  73.478
  627    HB3  GLU  27           HB1      GLU  27  70.992 -10.564  72.084
  628    HG2  GLU  27           HG2      GLU  27  69.284  -8.975  71.094
  629    HG3  GLU  27           HG1      GLU  27  69.625  -7.871  72.417
  630    H    LYS  28           HN       LYS  28  67.457 -10.477  71.454
  631    HA   LYS  28           HA       LYS  28  66.389  -7.929  71.804
  632    HB2  LYS  28           HB2      LYS  28  65.038 -10.421  70.734
  633    HB3  LYS  28           HB1      LYS  28  64.415  -8.781  70.549
  634    HG2  LYS  28           HG2      LYS  28  66.612  -8.170  69.455
  635    HG3  LYS  28           HG1      LYS  28  67.010  -9.887  69.457
  636    HD2  LYS  28           HD2      LYS  28  64.887 -10.325  68.173
  637    HD3  LYS  28           HD1      LYS  28  64.641  -8.582  68.067
  638    HE2  LYS  28           HE2      LYS  28  66.523  -8.271  66.663
  639    HE3  LYS  28           HE1      LYS  28  67.253  -9.798  67.137
  640    HZ1  LYS  28           HZ1      LYS  28  66.177  -9.698  64.769
  641    HZ2  LYS  28           HZ2      LYS  28  64.674  -9.749  65.556
  642    HZ3  LYS  28           HZ3      LYS  28  65.761 -11.042  65.722
  643    H    VAL  29           HN       VAL  29  65.320 -11.022  73.159
  644    HA   VAL  29           HA       VAL  29  63.118  -9.896  74.586
  645    HB   VAL  29           HB       VAL  29  64.588 -12.454  75.238
  646   HG11  VAL  29          HG11      VAL  29  62.928 -11.740  76.891
  647   HG12  VAL  29          HG12      VAL  29  62.317 -13.134  76.000
  648   HG13  VAL  29          HG13      VAL  29  61.727 -11.516  75.619
  649   HG21  VAL  29          HG21      VAL  29  62.448 -11.890  73.163
  650   HG22  VAL  29          HG22      VAL  29  62.907 -13.509  73.691
  651   HG23  VAL  29          HG23      VAL  29  64.079 -12.485  72.861
  652    H    PHE  30           HN       PHE  30  66.348 -10.999  75.597
  653    HA   PHE  30           HA       PHE  30  66.177 -10.302  78.297
  654    HB2  PHE  30           HB2      PHE  30  68.604 -10.478  76.533
  655    HB3  PHE  30           HB1      PHE  30  68.631 -10.411  78.282
  656    HD1  PHE  30           HD2      PHE  30  66.647 -12.232  79.274
  657    HD2  PHE  30           HD1      PHE  30  69.081 -12.609  75.743
  658    HE1  PHE  30           HE2      PHE  30  66.383 -14.685  79.345
  659    HE2  PHE  30           HE1      PHE  30  68.827 -15.060  75.844
  660    HZ   PHE  30           HZ       PHE  30  67.478 -16.101  77.642
  661    H    LYS  31           HN       LYS  31  67.548  -8.379  75.582
  662    HA   LYS  31           HA       LYS  31  68.363  -6.280  77.352
  663    HB2  LYS  31           HB2      LYS  31  68.172  -6.519  74.357
  664    HB3  LYS  31           HB1      LYS  31  68.480  -4.951  75.103
  665    HG2  LYS  31           HG2      LYS  31  70.447  -5.795  76.234
  666    HG3  LYS  31           HG1      LYS  31  70.095  -7.440  75.721
  667    HD2  LYS  31           HD2      LYS  31  71.296  -7.113  73.819
  668    HD3  LYS  31           HD1      LYS  31  70.196  -5.824  73.338
  669    HE2  LYS  31           HE2      LYS  31  71.577  -4.296  74.871
  670    HE3  LYS  31           HE1      LYS  31  72.766  -5.602  74.905
  671    HZ1  LYS  31           HZ1      LYS  31  73.017  -5.499  72.581
  672    HZ2  LYS  31           HZ2      LYS  31  73.079  -3.890  73.123
  673    HZ3  LYS  31           HZ3      LYS  31  71.667  -4.491  72.392
  674    H    GLN  32           HN       GLN  32  65.491  -6.874  75.406
  675    HA   GLN  32           HA       GLN  32  64.318  -4.309  75.939
  676    HB2  GLN  32           HB2      GLN  32  63.754  -5.870  74.014
  677    HB3  GLN  32           HB1      GLN  32  62.893  -6.863  75.192
  678    HG2  GLN  32           HG2      GLN  32  61.547  -4.857  75.832
  679    HG3  GLN  32           HG1      GLN  32  62.339  -3.955  74.541
  680   HE21  GLN  32          HE21      GLN  32  59.506  -5.675  75.205
  681   HE22  GLN  32          HE22      GLN  32  59.111  -6.160  73.627
  682    H    TYR  33           HN       TYR  33  64.361  -7.471  77.398
  683    HA   TYR  33           HA       TYR  33  62.249  -7.115  79.250
  684    HB2  TYR  33           HB2      TYR  33  62.882  -9.328  78.728
  685    HB3  TYR  33           HB1      TYR  33  64.586  -8.966  78.969
  686    HD1  TYR  33           HD1      TYR  33  61.343  -9.369  80.722
  687    HD2  TYR  33           HD2      TYR  33  65.615  -9.103  81.090
  688    HE1  TYR  33           HE1      TYR  33  61.185 -10.047  83.105
  689    HE2  TYR  33           HE2      TYR  33  65.456  -9.782  83.466
  690    HH   TYR  33           HH       TYR  33  63.793 -11.097  84.890
  691    H    ALA  34           HN       ALA  34  65.763  -6.627  79.400
  692    HA   ALA  34           HA       ALA  34  65.990  -6.177  82.157
  693    HB1  ALA  34           HB1      ALA  34  67.790  -4.555  80.465
  694    HB2  ALA  34           HB2      ALA  34  67.728  -6.261  80.027
  695    HB3  ALA  34           HB3      ALA  34  68.185  -5.793  81.661
  696    H    ASN  35           HN       ASN  35  65.068  -3.910  79.504
  697    HA   ASN  35           HA       ASN  35  65.164  -1.615  81.186
  698    HB2  ASN  35           HB2      ASN  35  65.132  -1.874  78.548
  699    HB3  ASN  35           HB1      ASN  35  63.386  -1.778  78.771
  700   HD21  ASN  35          HD21      ASN  35  62.539   0.392  78.872
  701   HD22  ASN  35          HD22      ASN  35  63.480   1.757  79.237
  702    H    ASP  36           HN       ASP  36  62.612  -3.826  80.072
  703    HA   ASP  36           HA       ASP  36  60.458  -2.533  81.372
  704    HB2  ASP  36           HB2      ASP  36  60.505  -5.465  80.717
  705    HB3  ASP  36           HB1      ASP  36  59.156  -4.332  80.636
  706    H    ASN  37           HN       ASN  37  62.825  -4.881  82.579
  707    HA   ASN  37           HA       ASN  37  61.125  -5.502  84.866
  708    HB2  ASN  37           HB2      ASN  37  62.758  -7.122  85.436
  709    HB3  ASN  37           HB1      ASN  37  62.514  -7.206  83.695
  710   HD21  ASN  37          HD21      ASN  37  64.888  -8.273  84.333
  711   HD22  ASN  37          HD22      ASN  37  66.172  -7.194  84.078
  712    H    GLY  38           HN       GLY  38  63.821  -3.305  84.178
  713    HA2  GLY  38           HA2      GLY  38  63.799  -1.397  85.799
  714    HA3  GLY  38           HA1      GLY  38  63.870  -2.596  87.073
  715    H    VAL  39           HN       VAL  39  65.909  -3.863  84.795
  716    HA   VAL  39           HA       VAL  39  68.243  -2.340  85.852
  717    HB   VAL  39           HB       VAL  39  68.337  -4.439  86.931
  718   HG11  VAL  39          HG11      VAL  39  67.939  -5.816  84.274
  719   HG12  VAL  39          HG12      VAL  39  66.639  -5.512  85.408
  720   HG13  VAL  39          HG13      VAL  39  67.972  -6.549  85.872
  721   HG21  VAL  39          HG21      VAL  39  70.341  -5.455  86.071
  722   HG22  VAL  39          HG22      VAL  39  70.450  -3.734  85.728
  723   HG23  VAL  39          HG23      VAL  39  70.017  -4.857  84.450
  724    H    ASP  40           HN       ASP  40  68.999  -1.129  84.283
  725    HA   ASP  40           HA       ASP  40  69.553  -2.381  81.650
  726    HB2  ASP  40           HB2      ASP  40  67.631  -0.624  81.737
  727    HB3  ASP  40           HB1      ASP  40  68.921   0.556  81.960
  728    H    GLY  41           HN       GLY  41  71.803  -2.625  81.644
  729    HA2  GLY  41           HA2      GLY  41  73.389  -0.224  82.339
  730    HA3  GLY  41           HA1      GLY  41  73.759  -1.741  83.139
  731    H    GLU  42           HN       GLU  42  75.942  -1.678  82.216
  732    HA   GLU  42           HA       GLU  42  76.272  -1.624  79.398
  733    HB2  GLU  42           HB2      GLU  42  78.373  -2.724  81.235
  734    HB3  GLU  42           HB1      GLU  42  78.550  -1.693  79.820
  735    HG2  GLU  42           HG2      GLU  42  77.340   0.117  81.176
  736    HG3  GLU  42           HG1      GLU  42  77.613  -0.911  82.583
  737    H    TRP  43           HN       TRP  43  76.478  -3.282  78.028
  738    HA   TRP  43           HA       TRP  43  75.752  -5.954  79.035
  739    HB2  TRP  43           HB2      TRP  43  75.427  -4.601  76.362
  740    HB3  TRP  43           HB1      TRP  43  75.099  -6.314  76.626
  741    HD1  TRP  43           HD1      TRP  43  73.793  -2.825  77.610
  742    HE1  TRP  43           HE1      TRP  43  71.442  -3.104  78.627
  743    HE3  TRP  43           HE3      TRP  43  73.516  -7.900  77.761
  744    HZ2  TRP  43           HZ2      TRP  43  69.678  -5.202  79.353
  745    HZ3  TRP  43           HZ3      TRP  43  71.485  -9.015  78.606
  746    HH2  TRP  43           HH2      TRP  43  69.558  -7.680  79.407
  747    H    THR  44           HN       THR  44  76.487  -7.733  77.929
  748    HA   THR  44           HA       THR  44  78.912  -7.678  76.365
  749    HB   THR  44           HB       THR  44  79.896  -7.503  78.589
  750    HG1  THR  44           HG1      THR  44  80.145  -9.629  76.997
  751   HG21  THR  44          HG21      THR  44  77.895  -9.669  79.252
  752   HG22  THR  44          HG22      THR  44  78.183  -8.138  80.076
  753   HG23  THR  44          HG23      THR  44  79.358  -9.444  80.207
  754    H    TYR  45           HN       TYR  45  79.397  -9.986  75.630
  755    HA   TYR  45           HA       TYR  45  77.340 -11.941  76.252
  756    HB2  TYR  45           HB2      TYR  45  76.152 -10.847  74.508
  757    HB3  TYR  45           HB1      TYR  45  77.596 -10.717  73.508
  758    HD1  TYR  45           HD1      TYR  45  75.905 -13.522  75.387
  759    HD2  TYR  45           HD2      TYR  45  77.546 -12.150  71.659
  760    HE1  TYR  45           HE1      TYR  45  75.399 -15.707  74.356
  761    HE2  TYR  45           HE2      TYR  45  77.036 -14.345  70.630
  762    HH   TYR  45           HH       TYR  45  76.052 -16.320  70.910
  763    H    ASP  46           HN       ASP  46  78.357 -13.769  76.532
  764    HA   ASP  46           HA       ASP  46  80.854 -14.251  75.045
  765    HB2  ASP  46           HB2      ASP  46  81.034 -14.600  77.468
  766    HB3  ASP  46           HB1      ASP  46  79.661 -15.718  77.425
  767    H    ASP  47           HN       ASP  47  80.502 -15.272  73.085
  768    HA   ASP  47           HA       ASP  47  78.117 -16.886  72.681
  769    HB2  ASP  47           HB2      ASP  47  79.219 -15.257  70.986
  770    HB3  ASP  47           HB1      ASP  47  80.362 -16.566  70.694
  771    H    ALA  48           HN       ALA  48  81.194 -17.376  73.862
  772    HA   ALA  48           HA       ALA  48  81.653 -20.022  72.809
  773    HB1  ALA  48           HB1      ALA  48  83.627 -19.995  74.070
  774    HB2  ALA  48           HB2      ALA  48  82.948 -18.919  75.292
  775    HB3  ALA  48           HB3      ALA  48  83.382 -18.288  73.704
  776    H    THR  49           HN       THR  49  79.937 -18.616  75.547
  777    HA   THR  49           HA       THR  49  79.243 -21.332  76.514
  778    HB   THR  49           HB       THR  49  78.963 -20.082  78.814
  779    HG1  THR  49           HG1      THR  49  79.471 -18.040  77.692
  780   HG21  THR  49          HG21      THR  49  81.398 -20.465  79.326
  781   HG22  THR  49          HG22      THR  49  81.642 -20.789  77.609
  782   HG23  THR  49          HG23      THR  49  80.585 -21.831  78.563
  783    H    LYS  50           HN       LYS  50  78.077 -18.953  74.750
  784    HA   LYS  50           HA       LYS  50  76.037 -17.917  74.467
  785    HB2  LYS  50           HB2      LYS  50  74.845 -20.360  75.769
  786    HB3  LYS  50           HB1      LYS  50  74.223 -19.421  74.415
  787    HG2  LYS  50           HG2      LYS  50  76.745 -21.113  74.324
  788    HG3  LYS  50           HG1      LYS  50  75.174 -21.613  73.706
  789    HD2  LYS  50           HD2      LYS  50  75.181 -19.643  72.176
  790    HD3  LYS  50           HD1      LYS  50  76.801 -19.242  72.740
  791    HE2  LYS  50           HE2      LYS  50  77.750 -21.175  71.787
  792    HE3  LYS  50           HE1      LYS  50  76.188 -21.977  71.627
  793    HZ1  LYS  50           HZ1      LYS  50  76.406 -21.251  69.517
  794    HZ2  LYS  50           HZ2      LYS  50  77.425 -19.957  69.934
  795    HZ3  LYS  50           HZ3      LYS  50  75.746 -19.828  70.160
  796    H    THR  51           HN       THR  51  77.182 -16.803  76.646
  797    HA   THR  51           HA       THR  51  74.936 -16.610  78.588
  798    HB   THR  51           HB       THR  51  77.896 -16.702  79.243
  799    HG1  THR  51           HG1      THR  51  77.342 -18.563  80.273
  800   HG21  THR  51          HG21      THR  51  75.482 -15.914  80.885
  801   HG22  THR  51          HG22      THR  51  77.014 -15.057  80.713
  802   HG23  THR  51          HG23      THR  51  76.941 -16.552  81.645
  803    H    PHE  52           HN       PHE  52  74.146 -14.560  78.892
  804    HA   PHE  52           HA       PHE  52  75.750 -12.239  77.989
  805    HB2  PHE  52           HB2      PHE  52  72.796 -12.715  78.388
  806    HB3  PHE  52           HB1      PHE  52  73.476 -11.115  78.089
  807    HD1  PHE  52           HD2      PHE  52  73.220 -14.571  76.681
  808    HD2  PHE  52           HD1      PHE  52  73.972 -10.411  75.910
  809    HE1  PHE  52           HE2      PHE  52  73.123 -14.988  74.234
  810    HE2  PHE  52           HE1      PHE  52  73.860 -10.838  73.475
  811    HZ   PHE  52           HZ       PHE  52  73.433 -13.128  72.639
  812    H    THR  53           HN       THR  53  75.634 -10.279  79.401
  813    HA   THR  53           HA       THR  53  74.504 -10.629  82.061
  814    HB   THR  53           HB       THR  53  76.483 -10.256  83.348
  815    HG1  THR  53           HG1      THR  53  77.459  -8.905  81.728
  816   HG21  THR  53          HG21      THR  53  76.102 -12.610  82.615
  817   HG22  THR  53          HG22      THR  53  77.788 -12.260  82.939
  818   HG23  THR  53          HG23      THR  53  77.206 -12.345  81.276
  819    H    VAL  54           HN       VAL  54  73.619  -8.638  82.735
  820    HA   VAL  54           HA       VAL  54  74.640  -6.196  81.373
  821    HB   VAL  54           HB       VAL  54  72.319  -6.789  80.791
  822   HG11  VAL  54          HG11      VAL  54  70.587  -6.907  82.432
  823   HG12  VAL  54          HG12      VAL  54  71.647  -6.286  83.694
  824   HG13  VAL  54          HG13      VAL  54  71.906  -7.904  83.048
  825   HG21  VAL  54          HG21      VAL  54  71.344  -4.589  81.230
  826   HG22  VAL  54          HG22      VAL  54  73.069  -4.389  80.924
  827   HG23  VAL  54          HG23      VAL  54  72.455  -4.328  82.576
  828    H    THR  55           HN       THR  55  75.643  -4.729  82.650
  829    HA   THR  55           HA       THR  55  75.088  -4.738  85.568
  830    HB   THR  55           HB       THR  55  77.351  -5.723  84.708
  831    HG1  THR  55           HG1      THR  55  76.668  -4.961  86.887
  832   HG21  THR  55          HG21      THR  55  77.757  -3.652  83.248
  833   HG22  THR  55          HG22      THR  55  79.106  -4.176  84.253
  834   HG23  THR  55          HG23      THR  55  78.121  -2.797  84.745
  835    H    GLU  56           HN       GLU  56  74.263  -2.837  86.320
  836    HA   GLU  56           HA       GLU  56  74.843  -0.357  84.794
  837    HB2  GLU  56           HB2      GLU  56  72.766   0.410  86.266
  838    HB3  GLU  56           HB1      GLU  56  72.528  -0.508  84.779
  839    HG2  GLU  56           HG2      GLU  56  72.403  -2.590  86.043
  840    HG3  GLU  56           HG1      GLU  56  72.707  -1.723  87.547
  841    H1   MET   1           HT1      MET   1  41.987 -34.074  78.415
  842    H2   MET   1           HT2      MET   1  41.287 -35.434  79.155
  843    H3   MET   1           HT3      MET   1  42.807 -35.559  78.406
  844    HA   MET   1           HA       MET   1  42.820 -35.450  80.890
  845    HB2  MET   1           HB2      MET   1  44.985 -34.837  80.512
  846    HB3  MET   1           HB1      MET   1  44.514 -34.383  78.887
  847    HG2  MET   1           HG2      MET   1  43.833 -32.093  79.958
  848    HG3  MET   1           HG1      MET   1  44.806 -32.629  81.324
  849    HE1  MET   1           HE1      MET   1  45.592 -33.208  77.263
  850    HE2  MET   1           HE2      MET   1  45.920 -31.492  77.124
  851    HE3  MET   1           HE3      MET   1  44.371 -32.032  77.763
  852    H    GLN   2           HN       GLN   2  43.257 -33.357  82.480
  853    HA   GLN   2           HA       GLN   2  40.887 -31.586  82.200
  854    HB2  GLN   2           HB2      GLN   2  41.942 -33.008  84.652
  855    HB3  GLN   2           HB1      GLN   2  40.757 -31.704  84.714
  856    HG2  GLN   2           HG2      GLN   2  39.194 -32.990  83.370
  857    HG3  GLN   2           HG1      GLN   2  40.394 -34.260  83.128
  858   HE21  GLN   2          HE21      GLN   2  41.208 -33.723  86.208
  859   HE22  GLN   2          HE22      GLN   2  40.033 -34.617  87.045
  860    H    TYR   3           HN       TYR   3  41.099 -29.496  82.824
  861    HA   TYR   3           HA       TYR   3  43.796 -28.559  83.623
  862    HB2  TYR   3           HB2      TYR   3  41.655 -27.035  82.146
  863    HB3  TYR   3           HB1      TYR   3  43.289 -26.491  82.515
  864    HD1  TYR   3           HD1      TYR   3  45.247 -27.548  81.418
  865    HD2  TYR   3           HD2      TYR   3  41.208 -28.577  80.378
  866    HE1  TYR   3           HE1      TYR   3  46.045 -28.590  79.313
  867    HE2  TYR   3           HE2      TYR   3  42.019 -29.620  78.283
  868    HH   TYR   3           HH       TYR   3  45.476 -29.636  77.456
  869    H    LYS   4           HN       LYS   4  43.883 -27.088  85.291
  870    HA   LYS   4           HA       LYS   4  41.319 -26.627  86.733
  871    HB2  LYS   4           HB2      LYS   4  42.751 -28.203  87.922
  872    HB3  LYS   4           HB1      LYS   4  44.102 -27.079  87.832
  873    HG2  LYS   4           HG2      LYS   4  42.910 -25.472  89.237
  874    HG3  LYS   4           HG1      LYS   4  41.483 -26.504  89.262
  875    HD2  LYS   4           HD2      LYS   4  43.997 -27.861  90.134
  876    HD3  LYS   4           HD1      LYS   4  43.473 -26.553  91.190
  877    HE2  LYS   4           HE2      LYS   4  41.486 -28.621  90.275
  878    HE3  LYS   4           HE1      LYS   4  42.568 -28.964  91.625
  879    HZ1  LYS   4           HZ1      LYS   4  40.976 -27.940  92.801
  880    HZ2  LYS   4           HZ2      LYS   4  40.345 -27.113  91.458
  881    HZ3  LYS   4           HZ3      LYS   4  41.723 -26.519  92.256
  882    H    LEU   5           HN       LEU   5  40.752 -24.534  87.003
  883    HA   LEU   5           HA       LEU   5  42.832 -22.461  86.622
  884    HB2  LEU   5           HB2      LEU   5  41.016 -22.307  85.015
  885    HB3  LEU   5           HB1      LEU   5  39.832 -22.366  86.293
  886    HG   LEU   5           HG       LEU   5  40.428 -20.080  85.138
  887   HD11  LEU   5          HD11      LEU   5  40.070 -20.358  88.118
  888   HD12  LEU   5          HD12      LEU   5  38.822 -20.183  86.893
  889   HD13  LEU   5          HD13      LEU   5  39.917 -18.849  87.232
  890   HD21  LEU   5          HD21      LEU   5  42.430 -19.829  87.355
  891   HD22  LEU   5          HD22      LEU   5  42.182 -18.802  85.960
  892   HD23  LEU   5          HD23      LEU   5  42.928 -20.374  85.763
  893    H    ILE   6           HN       ILE   6  43.410 -21.222  88.334
  894    HA   ILE   6           HA       ILE   6  41.915 -21.563  90.864
  895    HB   ILE   6           HB       ILE   6  44.560 -20.160  90.421
  896   HG12  ILE   6          HG12      ILE   6  44.831 -22.485  89.757
  897   HG13  ILE   6          HG11      ILE   6  45.574 -22.258  91.336
  898   HG21  ILE   6          HG21      ILE   6  43.394 -19.509  92.446
  899   HG22  ILE   6          HG22      ILE   6  44.767 -20.530  92.874
  900   HG23  ILE   6          HG23      ILE   6  43.135 -21.198  92.880
  901   HD11  ILE   6          HD11      ILE   6  42.979 -23.618  90.647
  902   HD12  ILE   6          HD12      ILE   6  43.299 -23.046  92.282
  903   HD13  ILE   6          HD13      ILE   6  44.349 -24.257  91.550
  904    H    LEU   7           HN       LEU   7  40.723 -19.981  91.637
  905    HA   LEU   7           HA       LEU   7  40.542 -17.492  90.106
  906    HB2  LEU   7           HB2      LEU   7  38.834 -18.785  92.229
  907    HB3  LEU   7           HB1      LEU   7  38.615 -17.095  91.799
  908    HG   LEU   7           HG       LEU   7  38.585 -18.194  89.296
  909   HD11  LEU   7          HD11      LEU   7  37.381 -20.277  91.137
  910   HD12  LEU   7          HD12      LEU   7  38.828 -20.492  90.151
  911   HD13  LEU   7          HD13      LEU   7  37.260 -20.266  89.378
  912   HD21  LEU   7          HD21      LEU   7  36.229 -18.090  91.197
  913   HD22  LEU   7          HD22      LEU   7  36.138 -18.075  89.438
  914   HD23  LEU   7          HD23      LEU   7  36.868 -16.717  90.293
  915    H    ASN   8           HN       ASN   8  41.804 -15.908  90.641
  916    HA   ASN   8           HA       ASN   8  42.078 -15.158  93.471
  917    HB2  ASN   8           HB2      ASN   8  44.449 -14.377  92.671
  918    HB3  ASN   8           HB1      ASN   8  44.204 -16.061  93.129
  919   HD21  ASN   8          HD21      ASN   8  45.708 -14.285  90.804
  920   HD22  ASN   8          HD22      ASN   8  45.579 -15.350  89.490
  921    H    GLY   9           HN       GLY   9  40.394 -13.679  92.993
  922    HA2  GLY   9           HA2      GLY   9  41.170 -11.439  91.200
  923    HA3  GLY   9           HA1      GLY   9  39.510 -11.983  91.404
  924    H    LYS  10           HN       LYS  10  38.984  -9.809  92.028
  925    HA   LYS  10           HA       LYS  10  40.185  -8.627  94.318
  926    HB2  LYS  10           HB2      LYS  10  37.407  -7.928  93.364
  927    HB3  LYS  10           HB1      LYS  10  38.627  -6.877  94.085
  928    HG2  LYS  10           HG2      LYS  10  40.046  -7.552  91.951
  929    HG3  LYS  10           HG1      LYS  10  38.467  -7.950  91.273
  930    HD2  LYS  10           HD2      LYS  10  37.682  -5.657  91.796
  931    HD3  LYS  10           HD1      LYS  10  39.283  -5.266  92.427
  932    HE2  LYS  10           HE2      LYS  10  40.234  -5.890  90.175
  933    HE3  LYS  10           HE1      LYS  10  38.580  -6.030  89.581
  934    HZ1  LYS  10           HZ1      LYS  10  39.227  -3.861  89.071
  935    HZ2  LYS  10           HZ2      LYS  10  39.972  -3.621  90.578
  936    HZ3  LYS  10           HZ3      LYS  10  38.279  -3.692  90.467
  937    H    THR  11           HN       THR  11  37.006 -10.341  93.934
  938    HA   THR  11           HA       THR  11  37.219 -11.093  96.787
  939    HB   THR  11           HB       THR  11  34.689 -10.852  96.863
  940    HG1  THR  11           HG1      THR  11  34.992  -9.002  94.798
  941   HG21  THR  11          HG21      THR  11  36.528  -8.485  96.508
  942   HG22  THR  11          HG22      THR  11  36.089  -9.291  98.013
  943   HG23  THR  11          HG23      THR  11  34.885  -8.348  97.135
  944    H    LEU  12           HN       LEU  12  36.792 -12.081  93.568
  945    HA   LEU  12           HA       LEU  12  35.273 -14.457  94.242
  946    HB2  LEU  12           HB2      LEU  12  35.600 -12.905  91.928
  947    HB3  LEU  12           HB1      LEU  12  36.465 -14.390  91.549
  948    HG   LEU  12           HG       LEU  12  33.579 -14.113  92.419
  949   HD11  LEU  12          HD11      LEU  12  34.127 -13.684  90.019
  950   HD12  LEU  12          HD12      LEU  12  33.096 -15.093  90.250
  951   HD13  LEU  12          HD13      LEU  12  34.813 -15.309  89.920
  952   HD21  LEU  12          HD21      LEU  12  33.918 -16.776  91.813
  953   HD22  LEU  12          HD22      LEU  12  33.929 -16.125  93.444
  954   HD23  LEU  12          HD23      LEU  12  35.450 -16.413  92.604
  955    H    LYS  13           HN       LYS  13  36.327 -16.061  95.271
  956    HA   LYS  13           HA       LYS  13  38.886 -16.979  94.123
  957    HB2  LYS  13           HB2      LYS  13  38.368 -16.389  97.047
  958    HB3  LYS  13           HB1      LYS  13  39.657 -17.457  96.510
  959    HG2  LYS  13           HG2      LYS  13  40.936 -15.560  96.428
  960    HG3  LYS  13           HG1      LYS  13  40.115 -15.251  94.905
  961    HD2  LYS  13           HD2      LYS  13  38.288 -14.143  96.537
  962    HD3  LYS  13           HD1      LYS  13  39.690 -13.979  97.593
  963    HE2  LYS  13           HE2      LYS  13  39.669 -11.975  96.335
  964    HE3  LYS  13           HE1      LYS  13  40.879 -12.974  95.527
  965    HZ1  LYS  13           HZ1      LYS  13  38.148 -13.319  94.616
  966    HZ2  LYS  13           HZ2      LYS  13  39.587 -13.237  93.723
  967    HZ3  LYS  13           HZ3      LYS  13  38.840 -11.812  94.264
  968    H    GLY  14           HN       GLY  14  39.114 -19.091  93.978
  969    HA2  GLY  14           HA2      GLY  14  38.065 -21.112  95.545
  970    HA3  GLY  14           HA1      GLY  14  36.863 -20.803  94.291
  971    H    GLU  15           HN       GLU  15  37.290 -22.938  93.352
  972    HA   GLU  15           HA       GLU  15  39.775 -23.015  91.728
  973    HB2  GLU  15           HB2      GLU  15  38.319 -25.440  92.796
  974    HB3  GLU  15           HB1      GLU  15  39.842 -25.405  91.908
  975    HG2  GLU  15           HG2      GLU  15  39.458 -24.020  94.553
  976    HG3  GLU  15           HG1      GLU  15  40.034 -25.675  94.410
  977    H    THR  16           HN       THR  16  39.501 -24.177  89.670
  978    HA   THR  16           HA       THR  16  36.739 -24.696  88.846
  979    HB   THR  16           HB       THR  16  37.793 -23.192  86.691
  980    HG1  THR  16           HG1      THR  16  38.486 -22.203  89.203
  981   HG21  THR  16          HG21      THR  16  35.454 -23.275  87.278
  982   HG22  THR  16          HG22      THR  16  35.996 -21.597  87.304
  983   HG23  THR  16          HG23      THR  16  35.778 -22.477  88.817
  984    H    THR  17           HN       THR  17  36.590 -26.202  87.215
  985    HA   THR  17           HA       THR  17  39.059 -26.967  85.849
  986    HB   THR  17           HB       THR  17  37.506 -29.175  87.159
  987    HG1  THR  17           HG1      THR  17  39.746 -28.091  88.415
  988   HG21  THR  17          HG21      THR  17  39.496 -30.400  86.856
  989   HG22  THR  17          HG22      THR  17  40.476 -28.949  86.697
  990   HG23  THR  17          HG23      THR  17  39.396 -29.433  85.392
  991    H    THR  18           HN       THR  18  38.791 -28.427  84.115
  992    HA   THR  18           HA       THR  18  36.143 -29.049  83.158
  993    HB   THR  18           HB       THR  18  36.629 -26.636  82.456
  994    HG1  THR  18           HG1      THR  18  36.184 -27.360  80.128
  995   HG21  THR  18          HG21      THR  18  39.099 -27.340  81.906
  996   HG22  THR  18          HG22      THR  18  38.275 -26.184  80.859
  997   HG23  THR  18          HG23      THR  18  38.407 -27.872  80.374
  998    H    GLU  19           HN       GLU  19  36.221 -30.532  81.393
  999    HA   GLU  19           HA       GLU  19  38.786 -31.999  81.179
 1000    HB2  GLU  19           HB2      GLU  19  36.735 -33.203  81.998
 1001    HB3  GLU  19           HB1      GLU  19  35.971 -32.864  80.449
 1002    HG2  GLU  19           HG2      GLU  19  36.822 -34.987  80.027
 1003    HG3  GLU  19           HG1      GLU  19  38.170 -34.005  79.468
 1004    H    ALA  20           HN       ALA  20  39.921 -31.378  79.432
 1005    HA   ALA  20           HA       ALA  20  38.564 -31.261  76.816
 1006    HB1  ALA  20           HB1      ALA  20  40.448 -29.215  76.622
 1007    HB2  ALA  20           HB2      ALA  20  39.789 -28.995  78.241
 1008    HB3  ALA  20           HB3      ALA  20  38.715 -28.984  76.848
 1009    H    VAL  21           HN       VAL  21  40.060 -31.361  75.021
 1010    HA   VAL  21           HA       VAL  21  42.198 -33.258  75.501
 1011    HB   VAL  21           HB       VAL  21  41.001 -33.799  73.559
 1012   HG11  VAL  21          HG11      VAL  21  39.550 -31.902  73.406
 1013   HG12  VAL  21          HG12      VAL  21  40.394 -31.997  71.863
 1014   HG13  VAL  21          HG13      VAL  21  40.893 -30.814  73.066
 1015   HG21  VAL  21          HG21      VAL  21  42.489 -33.513  71.737
 1016   HG22  VAL  21          HG22      VAL  21  43.530 -33.390  73.153
 1017   HG23  VAL  21          HG23      VAL  21  43.023 -31.930  72.304
 1018    H    ASP  22           HN       ASP  22  41.693 -29.958  74.389
 1019    HA   ASP  22           HA       ASP  22  44.627 -29.519  74.376
 1020    HB2  ASP  22           HB2      ASP  22  43.400 -29.057  72.266
 1021    HB3  ASP  22           HB1      ASP  22  42.478 -27.820  73.117
 1022    H    ALA  23           HN       ALA  23  45.481 -27.619  75.194
 1023    HA   ALA  23           HA       ALA  23  44.326 -26.776  77.684
 1024    HB1  ALA  23           HB1      ALA  23  46.760 -25.864  76.150
 1025    HB2  ALA  23           HB2      ALA  23  46.718 -26.980  77.513
 1026    HB3  ALA  23           HB3      ALA  23  46.318 -25.282  77.751
 1027    H    ALA  24           HN       ALA  24  44.999 -25.194  74.572
 1028    HA   ALA  24           HA       ALA  24  44.059 -22.634  75.251
 1029    HB1  ALA  24           HB1      ALA  24  44.044 -22.157  72.915
 1030    HB2  ALA  24           HB2      ALA  24  43.805 -23.853  72.493
 1031    HB3  ALA  24           HB3      ALA  24  45.352 -23.317  73.148
 1032    H    THR  25           HN       THR  25  42.196 -25.542  74.027
 1033    HA   THR  25           HA       THR  25  39.750 -24.150  73.637
 1034    HB   THR  25           HB       THR  25  40.513 -26.572  72.865
 1035    HG1  THR  25           HG1      THR  25  38.623 -25.552  72.230
 1036   HG21  THR  25          HG21      THR  25  39.864 -28.394  74.177
 1037   HG22  THR  25          HG22      THR  25  38.684 -27.449  75.085
 1038   HG23  THR  25          HG23      THR  25  40.402 -27.273  75.426
 1039    H    ALA  26           HN       ALA  26  41.260 -25.602  76.469
 1040    HA   ALA  26           HA       ALA  26  38.946 -25.614  78.129
 1041    HB1  ALA  26           HB1      ALA  26  40.373 -26.313  79.844
 1042    HB2  ALA  26           HB2      ALA  26  41.737 -25.386  79.225
 1043    HB3  ALA  26           HB3      ALA  26  41.229 -26.861  78.404
 1044    H    GLU  27           HN       GLU  27  41.447 -23.292  77.452
 1045    HA   GLU  27           HA       GLU  27  40.885 -21.433  79.515
 1046    HB2  GLU  27           HB2      GLU  27  42.690 -20.328  78.650
 1047    HB3  GLU  27           HB1      GLU  27  42.850 -21.709  77.572
 1048    HG2  GLU  27           HG2      GLU  27  41.316 -20.508  75.948
 1049    HG3  GLU  27           HG1      GLU  27  41.410 -19.098  76.990
 1050    H    LYS  28           HN       LYS  28  39.476 -21.976  76.365
 1051    HA   LYS  28           HA       LYS  28  38.330 -19.484  75.888
 1052    HB2  LYS  28           HB2      LYS  28  37.211 -22.230  75.269
 1053    HB3  LYS  28           HB1      LYS  28  36.614 -20.721  74.577
 1054    HG2  LYS  28           HG2      LYS  28  38.968 -20.286  73.750
 1055    HG3  LYS  28           HG1      LYS  28  39.367 -21.930  74.241
 1056    HD2  LYS  28           HD2      LYS  28  37.499 -22.765  72.769
 1057    HD3  LYS  28           HD1      LYS  28  37.267 -21.113  72.198
 1058    HE2  LYS  28           HE2      LYS  28  39.344 -21.066  71.074
 1059    HE3  LYS  28           HE1      LYS  28  40.014 -22.371  72.042
 1060    HZ1  LYS  28           HZ1      LYS  28  39.374 -22.961  69.599
 1061    HZ2  LYS  28           HZ2      LYS  28  37.753 -22.880  70.095
 1062    HZ3  LYS  28           HZ3      LYS  28  38.794 -24.027  70.789
 1063    H    VAL  29           HN       VAL  29  37.091 -22.207  77.785
 1064    HA   VAL  29           HA       VAL  29  34.664 -20.886  78.508
 1065    HB   VAL  29           HB       VAL  29  36.025 -23.122  80.018
 1066   HG11  VAL  29          HG11      VAL  29  34.082 -22.117  81.123
 1067   HG12  VAL  29          HG12      VAL  29  33.663 -23.722  80.524
 1068   HG13  VAL  29          HG13      VAL  29  33.131 -22.287  79.648
 1069   HG21  VAL  29          HG21      VAL  29  34.293 -23.209  77.528
 1070   HG22  VAL  29          HG22      VAL  29  34.664 -24.618  78.520
 1071   HG23  VAL  29          HG23      VAL  29  35.959 -23.768  77.676
 1072    H    PHE  30           HN       PHE  30  37.685 -21.540  80.282
 1073    HA   PHE  30           HA       PHE  30  37.042 -20.208  82.651
 1074    HB2  PHE  30           HB2      PHE  30  39.743 -20.670  81.418
 1075    HB3  PHE  30           HB1      PHE  30  39.457 -20.189  83.080
 1076    HD1  PHE  30           HD2      PHE  30  37.342 -21.834  84.121
 1077    HD2  PHE  30           HD1      PHE  30  40.391 -22.896  81.272
 1078    HE1  PHE  30           HE2      PHE  30  37.100 -24.213  84.737
 1079    HE2  PHE  30           HE1      PHE  30  40.154 -25.265  81.920
 1080    HZ   PHE  30           HZ       PHE  30  38.513 -25.926  83.652
 1081    H    LYS  31           HN       LYS  31  38.846 -18.934  79.812
 1082    HA   LYS  31           HA       LYS  31  39.301 -16.419  81.102
 1083    HB2  LYS  31           HB2      LYS  31  39.625 -17.396  78.274
 1084    HB3  LYS  31           HB1      LYS  31  39.775 -15.677  78.641
 1085    HG2  LYS  31           HG2      LYS  31  41.538 -16.101  80.243
 1086    HG3  LYS  31           HG1      LYS  31  41.306 -17.839  80.111
 1087    HD2  LYS  31           HD2      LYS  31  42.806 -17.916  78.405
 1088    HD3  LYS  31           HD1      LYS  31  41.776 -16.858  77.446
 1089    HE2  LYS  31           HE2      LYS  31  42.844 -14.915  78.734
 1090    HE3  LYS  31           HE1      LYS  31  44.038 -16.093  79.291
 1091    HZ1  LYS  31           HZ1      LYS  31  44.678 -16.556  77.087
 1092    HZ2  LYS  31           HZ2      LYS  31  44.614 -14.862  77.204
 1093    HZ3  LYS  31           HZ3      LYS  31  43.360 -15.711  76.436
 1094    H    GLN  32           HN       GLN  32  36.820 -17.640  78.915
 1095    HA   GLN  32           HA       GLN  32  35.529 -15.099  78.595
 1096    HB2  GLN  32           HB2      GLN  32  35.335 -17.097  77.045
 1097    HB3  GLN  32           HB1      GLN  32  34.308 -17.840  78.271
 1098    HG2  GLN  32           HG2      GLN  32  32.818 -15.840  78.178
 1099    HG3  GLN  32           HG1      GLN  32  33.806 -15.203  76.864
 1100   HE21  GLN  32          HE21      GLN  32  30.945 -16.915  77.428
 1101   HE22  GLN  32          HE22      GLN  32  30.849 -17.766  75.962
 1102    H    TYR  33           HN       TYR  33  35.359 -17.809  80.778
 1103    HA   TYR  33           HA       TYR  33  32.945 -17.128  82.097
 1104    HB2  TYR  33           HB2      TYR  33  33.697 -19.370  82.225
 1105    HB3  TYR  33           HB1      TYR  33  35.309 -18.862  82.724
 1106    HD1  TYR  33           HD1      TYR  33  31.772 -19.072  83.779
 1107    HD2  TYR  33           HD2      TYR  33  35.835 -18.391  84.994
 1108    HE1  TYR  33           HE1      TYR  33  31.082 -19.192  86.159
 1109    HE2  TYR  33           HE2      TYR  33  35.146 -18.511  87.370
 1110    HH   TYR  33           HH       TYR  33  33.364 -19.409  88.723
 1111    H    ALA  34           HN       ALA  34  36.371 -16.440  82.709
 1112    HA   ALA  34           HA       ALA  34  36.116 -15.359  85.282
 1113    HB1  ALA  34           HB1      ALA  34  38.147 -14.060  83.556
 1114    HB2  ALA  34           HB2      ALA  34  38.210 -15.819  83.557
 1115    HB3  ALA  34           HB3      ALA  34  38.357 -14.938  85.073
 1116    H    ASN  35           HN       ASN  35  35.629 -13.813  82.059
 1117    HA   ASN  35           HA       ASN  35  35.375 -11.188  83.128
 1118    HB2  ASN  35           HB2      ASN  35  35.829 -12.051  80.674
 1119    HB3  ASN  35           HB1      ASN  35  34.069 -12.042  80.560
 1120   HD21  ASN  35          HD21      ASN  35  33.161  -9.985  79.947
 1121   HD22  ASN  35          HD22      ASN  35  33.966  -8.503  80.137
 1122    H    ASP  36           HN       ASP  36  33.103 -13.758  82.196
 1123    HA   ASP  36           HA       ASP  36  30.723 -12.322  82.702
 1124    HB2  ASP  36           HB2      ASP  36  30.974 -15.312  82.882
 1125    HB3  ASP  36           HB1      ASP  36  29.620 -14.349  82.290
 1126    H    ASN  37           HN       ASN  37  32.875 -14.045  84.904
 1127    HA   ASN  37           HA       ASN  37  30.781 -14.178  86.941
 1128    HB2  ASN  37           HB2      ASN  37  32.256 -15.546  88.157
 1129    HB3  ASN  37           HB1      ASN  37  32.408 -16.030  86.474
 1130   HD21  ASN  37          HD21      ASN  37  34.566 -16.805  87.835
 1131   HD22  ASN  37          HD22      ASN  37  35.882 -15.753  87.630
 1132    H    GLY  38           HN       GLY  38  33.543 -12.094  86.181
 1133    HA2  GLY  38           HA2      GLY  38  33.201  -9.842  87.254
 1134    HA3  GLY  38           HA1      GLY  38  33.117 -10.701  88.779
 1135    H    VAL  39           HN       VAL  39  35.463 -12.451  87.412
 1136    HA   VAL  39           HA       VAL  39  37.600 -10.556  88.261
 1137    HB   VAL  39           HB       VAL  39  37.591 -12.259  89.876
 1138   HG11  VAL  39          HG11      VAL  39  37.317 -14.269  87.629
 1139   HG12  VAL  39          HG12      VAL  39  36.027 -13.759  88.710
 1140   HG13  VAL  39          HG13      VAL  39  37.405 -14.645  89.349
 1141   HG21  VAL  39          HG21      VAL  39  39.668 -13.414  89.588
 1142   HG22  VAL  39          HG22      VAL  39  39.832 -11.896  88.710
 1143   HG23  VAL  39          HG23      VAL  39  39.517 -13.388  87.834
 1144    H    ASP  40           HN       ASP  40  38.555  -9.760  86.543
 1145    HA   ASP  40           HA       ASP  40  39.550 -11.610  84.447
 1146    HB2  ASP  40           HB2      ASP  40  37.595 -10.027  83.782
 1147    HB3  ASP  40           HB1      ASP  40  38.795  -8.741  83.880
 1148    H    GLY  41           HN       GLY  41  41.788 -11.690  84.827
 1149    HA2  GLY  41           HA2      GLY  41  43.171  -9.082  85.083
 1150    HA3  GLY  41           HA1      GLY  41  43.464 -10.317  86.291
 1151    H    GLU  42           HN       GLU  42  45.739 -10.374  85.737
 1152    HA   GLU  42           HA       GLU  42  46.579 -10.959  83.091
 1153    HB2  GLU  42           HB2      GLU  42  48.294 -11.462  85.490
 1154    HB3  GLU  42           HB1      GLU  42  48.738 -10.789  83.924
 1155    HG2  GLU  42           HG2      GLU  42  47.218  -8.794  84.565
 1156    HG3  GLU  42           HG1      GLU  42  47.301  -9.430  86.206
 1157    H    TRP  43           HN       TRP  43  47.477 -12.969  82.369
 1158    HA   TRP  43           HA       TRP  43  46.478 -15.328  83.876
 1159    HB2  TRP  43           HB2      TRP  43  46.459 -14.752  80.923
 1160    HB3  TRP  43           HB1      TRP  43  46.063 -16.318  81.627
 1161    HD1  TRP  43           HD1      TRP  43  44.702 -12.695  81.445
 1162    HE1  TRP  43           HE1      TRP  43  42.197 -12.790  82.056
 1163    HE3  TRP  43           HE3      TRP  43  44.352 -17.570  82.769
 1164    HZ2  TRP  43           HZ2      TRP  43  40.290 -14.727  82.964
 1165    HZ3  TRP  43           HZ3      TRP  43  42.208 -18.529  83.484
 1166    HH2  TRP  43           HH2      TRP  43  40.168 -17.126  83.588
 1167    H    THR  44           HN       THR  44  47.536 -17.064  83.884
 1168    HA   THR  44           HA       THR  44  49.967 -17.451  82.330
 1169    HB   THR  44           HB       THR  44  50.713 -16.873  84.542
 1170    HG1  THR  44           HG1      THR  44  51.095 -19.167  83.417
 1171   HG21  THR  44          HG21      THR  44  48.645 -18.855  85.443
 1172   HG22  THR  44          HG22      THR  44  48.614 -17.110  85.694
 1173   HG23  THR  44          HG23      THR  44  49.838 -18.095  86.494
 1174    H    TYR  45           HN       TYR  45  50.461 -19.915  82.021
 1175    HA   TYR  45           HA       TYR  45  48.098 -21.496  82.763
 1176    HB2  TYR  45           HB2      TYR  45  47.412 -21.011  80.583
 1177    HB3  TYR  45           HB1      TYR  45  49.054 -21.106  79.950
 1178    HD1  TYR  45           HD1      TYR  45  47.119 -23.443  82.202
 1179    HD2  TYR  45           HD2      TYR  45  49.178 -22.908  78.468
 1180    HE1  TYR  45           HE1      TYR  45  46.898 -25.853  81.732
 1181    HE2  TYR  45           HE2      TYR  45  48.944 -25.323  77.998
 1182    HH   TYR  45           HH       TYR  45  48.129 -27.255  78.696
 1183    H    ASP  46           HN       ASP  46  48.780 -23.142  83.864
 1184    HA   ASP  46           HA       ASP  46  51.472 -24.068  83.321
 1185    HB2  ASP  46           HB2      ASP  46  50.540 -23.948  85.784
 1186    HB3  ASP  46           HB1      ASP  46  49.633 -25.385  85.325
 1187    H    ASP  47           HN       ASP  47  51.771 -25.358  81.655
 1188    HA   ASP  47           HA       ASP  47  49.610 -27.298  81.015
 1189    HB2  ASP  47           HB2      ASP  47  50.961 -25.761  79.269
 1190    HB3  ASP  47           HB1      ASP  47  52.088 -27.114  79.353
 1191    H    ALA  48           HN       ALA  48  52.404 -26.816  82.620
 1192    HA   ALA  48           HA       ALA  48  53.706 -29.322  82.364
 1193    HB1  ALA  48           HB1      ALA  48  55.255 -28.313  83.785
 1194    HB2  ALA  48           HB2      ALA  48  54.013 -27.481  84.717
 1195    HB3  ALA  48           HB3      ALA  48  54.465 -26.884  83.120
 1196    H    THR  49           HN       THR  49  51.133 -28.014  84.357
 1197    HA   THR  49           HA       THR  49  50.659 -30.592  85.698
 1198    HB   THR  49           HB       THR  49  49.736 -29.025  87.623
 1199    HG1  THR  49           HG1      THR  49  50.308 -27.171  86.169
 1200   HG21  THR  49          HG21      THR  49  52.088 -28.881  88.598
 1201   HG22  THR  49          HG22      THR  49  52.640 -29.600  87.085
 1202   HG23  THR  49          HG23      THR  49  51.524 -30.483  88.127
 1203    H    LYS  50           HN       LYS  50  49.607 -28.445  83.443
 1204    HA   LYS  50           HA       LYS  50  47.575 -27.928  82.517
 1205    HB2  LYS  50           HB2      LYS  50  46.331 -30.099  84.198
 1206    HB3  LYS  50           HB1      LYS  50  45.875 -29.559  82.585
 1207    HG2  LYS  50           HG2      LYS  50  48.454 -31.007  83.273
 1208    HG3  LYS  50           HG1      LYS  50  47.041 -31.745  82.527
 1209    HD2  LYS  50           HD2      LYS  50  47.250 -30.145  80.626
 1210    HD3  LYS  50           HD1      LYS  50  48.722 -29.513  81.355
 1211    HE2  LYS  50           HE2      LYS  50  49.892 -31.538  81.060
 1212    HE3  LYS  50           HE1      LYS  50  48.414 -32.450  80.759
 1213    HZ1  LYS  50           HZ1      LYS  50  49.042 -32.131  78.631
 1214    HZ2  LYS  50           HZ2      LYS  50  49.935 -30.728  78.975
 1215    HZ3  LYS  50           HZ3      LYS  50  48.243 -30.649  78.835
 1216    H    THR  51           HN       THR  51  48.266 -26.211  84.496
 1217    HA   THR  51           HA       THR  51  45.668 -25.749  85.854
 1218    HB   THR  51           HB       THR  51  48.387 -25.591  87.191
 1219    HG1  THR  51           HG1      THR  51  47.606 -27.202  88.403
 1220   HG21  THR  51          HG21      THR  51  45.686 -24.529  88.043
 1221   HG22  THR  51          HG22      THR  51  47.210 -23.648  87.940
 1222   HG23  THR  51          HG23      THR  51  46.978 -24.865  89.196
 1223    H    PHE  52           HN       PHE  52  44.828 -23.724  85.532
 1224    HA   PHE  52           HA       PHE  52  46.556 -21.600  84.426
 1225    HB2  PHE  52           HB2      PHE  52  43.582 -22.099  84.439
 1226    HB3  PHE  52           HB1      PHE  52  44.296 -20.595  83.863
 1227    HD1  PHE  52           HD2      PHE  52  44.343 -24.311  83.352
 1228    HD2  PHE  52           HD1      PHE  52  45.048 -20.424  81.657
 1229    HE1  PHE  52           HE2      PHE  52  44.613 -25.322  81.093
 1230    HE2  PHE  52           HE1      PHE  52  45.293 -21.442  79.415
 1231    HZ   PHE  52           HZ       PHE  52  45.072 -23.889  79.136
 1232    H    THR  53           HN       THR  53  46.266 -19.382  85.302
 1233    HA   THR  53           HA       THR  53  44.660 -19.143  87.737
 1234    HB   THR  53           HB       THR  53  46.411 -18.309  89.163
 1235    HG1  THR  53           HG1      THR  53  47.628 -17.406  87.403
 1236   HG21  THR  53          HG21      THR  53  46.130 -20.835  88.909
 1237   HG22  THR  53          HG22      THR  53  47.642 -20.292  89.612
 1238   HG23  THR  53          HG23      THR  53  47.582 -20.803  87.926
 1239    H    VAL  54           HN       VAL  54  43.610 -17.112  87.716
 1240    HA   VAL  54           HA       VAL  54  44.827 -15.022  86.000
 1241    HB   VAL  54           HB       VAL  54  42.650 -15.851  85.186
 1242   HG11  VAL  54          HG11      VAL  54  40.649 -15.574  86.459
 1243   HG12  VAL  54          HG12      VAL  54  41.476 -14.606  87.676
 1244   HG13  VAL  54          HG13      VAL  54  41.809 -16.331  87.549
 1245   HG21  VAL  54          HG21      VAL  54  41.674 -13.640  84.837
 1246   HG22  VAL  54          HG22      VAL  54  43.430 -13.479  84.826
 1247   HG23  VAL  54          HG23      VAL  54  42.511 -13.008  86.256
 1248    H    THR  55           HN       THR  55  45.484 -13.173  86.954
 1249    HA   THR  55           HA       THR  55  44.450 -12.500  89.653
 1250    HB   THR  55           HB       THR  55  46.892 -13.448  89.390
 1251    HG1  THR  55           HG1      THR  55  45.782 -12.272  91.196
 1252   HG21  THR  55          HG21      THR  55  47.413 -11.750  87.566
 1253   HG22  THR  55          HG22      THR  55  48.574 -11.827  88.876
 1254   HG23  THR  55          HG23      THR  55  47.409 -10.517  88.823
 1255    H    GLU  56           HN       GLU  56  43.467 -10.520  89.775
 1256    HA   GLU  56           HA       GLU  56  44.153  -8.489  87.717
 1257    HB2  GLU  56           HB2      GLU  56  41.823  -7.563  88.607
 1258    HB3  GLU  56           HB1      GLU  56  41.884  -8.843  87.395
 1259    HG2  GLU  56           HG2      GLU  56  41.647 -10.544  89.125
 1260    HG3  GLU  56           HG1      GLU  56  41.665  -9.305  90.380
 1261    H1   MET   1           HT1      MET   1  63.301 -17.985  99.070
 1262    H2   MET   1           HT2      MET   1  64.041 -16.457  99.153
 1263    H3   MET   1           HT3      MET   1  62.411 -16.592  98.704
 1264    HA   MET   1           HA       MET   1  62.814 -15.826 101.018
 1265    HB2  MET   1           HB2      MET   1  60.684 -16.569 101.288
 1266    HB3  MET   1           HB1      MET   1  60.907 -17.568  99.874
 1267    HG2  MET   1           HG2      MET   1  61.948 -19.316 101.507
 1268    HG3  MET   1           HG1      MET   1  61.226 -18.335 102.782
 1269    HE1  MET   1           HE1      MET   1  59.456 -19.119  99.086
 1270    HE2  MET   1           HE2      MET   1  59.415 -20.812  99.502
 1271    HE3  MET   1           HE3      MET   1  60.949 -19.945  99.534
 1272    H    GLN   2           HN       GLN   2  62.861 -17.129 103.265
 1273    HA   GLN   2           HA       GLN   2  65.253 -18.880 103.187
 1274    HB2  GLN   2           HB2      GLN   2  64.596 -16.614 105.078
 1275    HB3  GLN   2           HB1      GLN   2  65.870 -17.795 105.370
 1276    HG2  GLN   2           HG2      GLN   2  67.030 -17.131 103.344
 1277    HG3  GLN   2           HG1      GLN   2  65.705 -16.059 102.893
 1278   HE21  GLN   2          HE21      GLN   2  65.514 -15.285 105.998
 1279   HE22  GLN   2          HE22      GLN   2  66.770 -14.156 106.173
 1280    H    TYR   3           HN       TYR   3  65.301 -20.580 104.509
 1281    HA   TYR   3           HA       TYR   3  62.934 -21.114 106.212
 1282    HB2  TYR   3           HB2      TYR   3  64.812 -23.120 104.965
 1283    HB3  TYR   3           HB1      TYR   3  63.334 -23.453 105.865
 1284    HD1  TYR   3           HD1      TYR   3  61.129 -22.947 104.908
 1285    HD2  TYR   3           HD2      TYR   3  64.761 -22.283 102.716
 1286    HE1  TYR   3           HE1      TYR   3  59.830 -22.761 102.805
 1287    HE2  TYR   3           HE2      TYR   3  63.458 -22.085 100.619
 1288    HH   TYR   3           HH       TYR   3  59.926 -22.493 100.612
 1289    H    LYS   4           HN       LYS   4  63.353 -21.834 108.280
 1290    HA   LYS   4           HA       LYS   4  66.203 -21.695 109.133
 1291    HB2  LYS   4           HB2      LYS   4  64.926 -19.786 109.942
 1292    HB3  LYS   4           HB1      LYS   4  63.691 -20.854 110.598
 1293    HG2  LYS   4           HG2      LYS   4  65.297 -21.793 112.191
 1294    HG3  LYS   4           HG1      LYS   4  66.595 -20.824 111.497
 1295    HD2  LYS   4           HD2      LYS   4  64.201 -19.251 112.347
 1296    HD3  LYS   4           HD1      LYS   4  65.058 -20.042 113.666
 1297    HE2  LYS   4           HE2      LYS   4  66.606 -18.481 111.610
 1298    HE3  LYS   4           HE1      LYS   4  65.797 -17.644 112.936
 1299    HZ1  LYS   4           HZ1      LYS   4  67.689 -18.115 114.017
 1300    HZ2  LYS   4           HZ2      LYS   4  68.102 -19.399 112.985
 1301    HZ3  LYS   4           HZ3      LYS   4  66.982 -19.639 114.240
 1302    H    LEU   5           HN       LEU   5  67.017 -23.508 110.028
 1303    HA   LEU   5           HA       LEU   5  65.121 -25.586 110.957
 1304    HB2  LEU   5           HB2      LEU   5  66.571 -26.323 109.147
 1305    HB3  LEU   5           HB1      LEU   5  67.982 -25.757 109.998
 1306    HG   LEU   5           HG       LEU   5  67.395 -28.320 109.952
 1307   HD11  LEU   5          HD11      LEU   5  68.345 -26.896 112.434
 1308   HD12  LEU   5          HD12      LEU   5  69.315 -27.537 111.117
 1309   HD13  LEU   5          HD13      LEU   5  68.447 -28.634 112.186
 1310   HD21  LEU   5          HD21      LEU   5  65.939 -27.711 112.496
 1311   HD22  LEU   5          HD22      LEU   5  65.989 -29.199 111.576
 1312   HD23  LEU   5          HD23      LEU   5  65.066 -27.836 110.978
 1313    H    ILE   6           HN       ILE   6  65.042 -26.065 113.091
 1314    HA   ILE   6           HA       ILE   6  66.993 -24.752 114.889
 1315    HB   ILE   6           HB       ILE   6  64.465 -26.243 115.630
 1316   HG12  ILE   6          HG12      ILE   6  63.836 -24.361 114.223
 1317   HG13  ILE   6          HG11      ILE   6  63.462 -23.964 115.898
 1318   HG21  ILE   6          HG21      ILE   6  66.088 -26.046 117.424
 1319   HG22  ILE   6          HG22      ILE   6  64.739 -24.956 117.741
 1320   HG23  ILE   6          HG23      ILE   6  66.260 -24.317 117.119
 1321   HD11  ILE   6          HD11      ILE   6  65.709 -22.951 114.171
 1322   HD12  ILE   6          HD12      ILE   6  65.804 -22.856 115.928
 1323   HD13  ILE   6          HD13      ILE   6  64.507 -22.028 115.068
 1324    H    LEU   7           HN       LEU   7  68.466 -25.901 115.906
 1325    HA   LEU   7           HA       LEU   7  68.565 -28.786 115.419
 1326    HB2  LEU   7           HB2      LEU   7  70.545 -26.759 116.449
 1327    HB3  LEU   7           HB1      LEU   7  70.831 -28.482 116.645
 1328    HG   LEU   7           HG       LEU   7  70.229 -28.432 113.977
 1329   HD11  LEU   7          HD11      LEU   7  71.587 -25.792 114.576
 1330   HD12  LEU   7          HD12      LEU   7  69.956 -25.985 113.939
 1331   HD13  LEU   7          HD13      LEU   7  71.344 -26.481 112.972
 1332   HD21  LEU   7          HD21      LEU   7  72.929 -27.788 115.187
 1333   HD22  LEU   7          HD22      LEU   7  72.653 -28.471 113.586
 1334   HD23  LEU   7          HD23      LEU   7  72.245 -29.405 115.024
 1335    H    ASN   8           HN       ASN   8  67.602 -30.051 116.777
 1336    HA   ASN   8           HA       ASN   8  67.975 -29.646 119.667
 1337    HB2  ASN   8           HB2      ASN   8  65.577 -30.705 119.760
 1338    HB3  ASN   8           HB1      ASN   8  65.747 -28.973 119.486
 1339   HD21  ASN   8          HD21      ASN   8  63.959 -31.494 118.403
 1340   HD22  ASN   8          HD22      ASN   8  63.737 -31.032 116.784
 1341    H    GLY   9           HN       GLY   9  69.660 -31.176 119.423
 1342    HA2  GLY   9           HA2      GLY   9  68.764 -33.942 118.822
 1343    HA3  GLY   9           HA1      GLY   9  70.370 -33.343 118.436
 1344    H    LYS  10           HN       LYS  10  71.213 -35.095 119.692
 1345    HA   LYS  10           HA       LYS  10  70.622 -35.307 122.469
 1346    HB2  LYS  10           HB2      LYS  10  73.186 -36.320 121.237
 1347    HB3  LYS  10           HB1      LYS  10  72.243 -37.012 122.558
 1348    HG2  LYS  10           HG2      LYS  10  70.351 -37.209 120.712
 1349    HG3  LYS  10           HG1      LYS  10  71.709 -37.106 119.593
 1350    HD2  LYS  10           HD2      LYS  10  72.784 -39.020 120.748
 1351    HD3  LYS  10           HD1      LYS  10  71.388 -39.138 121.821
 1352    HE2  LYS  10           HE2      LYS  10  69.938 -39.439 119.786
 1353    HE3  LYS  10           HE1      LYS  10  71.408 -39.516 118.814
 1354    HZ1  LYS  10           HZ1      LYS  10  70.886 -41.724 119.303
 1355    HZ2  LYS  10           HZ2      LYS  10  70.502 -41.382 120.922
 1356    HZ3  LYS  10           HZ3      LYS  10  72.119 -41.338 120.403
 1357    H    THR  11           HN       THR  11  73.468 -33.866 120.737
 1358    HA   THR  11           HA       THR  11  73.810 -32.072 123.065
 1359    HB   THR  11           HB       THR  11  76.309 -32.257 122.627
 1360    HG1  THR  11           HG1      THR  11  75.752 -34.766 121.548
 1361   HG21  THR  11          HG21      THR  11  74.675 -34.592 123.622
 1362   HG22  THR  11          HG22      THR  11  75.326 -33.257 124.570
 1363   HG23  THR  11          HG23      THR  11  76.416 -34.451 123.865
 1364    H    LEU  12           HN       LEU  12  73.445 -32.405 119.705
 1365    HA   LEU  12           HA       LEU  12  74.836 -29.944 119.065
 1366    HB2  LEU  12           HB2      LEU  12  74.175 -32.274 117.646
 1367    HB3  LEU  12           HB1      LEU  12  73.115 -31.055 116.949
 1368    HG   LEU  12           HG       LEU  12  76.132 -30.962 117.167
 1369   HD11  LEU  12          HD11      LEU  12  75.137 -32.287 115.299
 1370   HD12  LEU  12          HD12      LEU  12  76.048 -30.887 114.738
 1371   HD13  LEU  12          HD13      LEU  12  74.288 -30.834 114.762
 1372   HD21  LEU  12          HD21      LEU  12  75.423 -28.740 115.701
 1373   HD22  LEU  12          HD22      LEU  12  75.826 -28.711 117.409
 1374   HD23  LEU  12          HD23      LEU  12  74.139 -28.776 116.908
 1375    H    LYS  13           HN       LYS  13  73.875 -28.070 119.618
 1376    HA   LYS  13           HA       LYS  13  71.056 -27.687 118.839
 1377    HB2  LYS  13           HB2      LYS  13  72.231 -27.093 121.567
 1378    HB3  LYS  13           HB1      LYS  13  70.762 -26.325 120.981
 1379    HG2  LYS  13           HG2      LYS  13  69.679 -28.113 121.914
 1380    HG3  LYS  13           HG1      LYS  13  70.189 -28.984 120.475
 1381    HD2  LYS  13           HD2      LYS  13  72.415 -29.360 121.936
 1382    HD3  LYS  13           HD1      LYS  13  71.286 -29.111 123.268
 1383    HE2  LYS  13           HE2      LYS  13  71.236 -31.447 122.886
 1384    HE3  LYS  13           HE1      LYS  13  69.794 -30.846 122.064
 1385    HZ1  LYS  13           HZ1      LYS  13  72.231 -30.866 120.492
 1386    HZ2  LYS  13           HZ2      LYS  13  70.649 -31.286 120.046
 1387    HZ3  LYS  13           HZ3      LYS  13  71.617 -32.393 120.894
 1388    H    GLY  14           HN       GLY  14  70.602 -25.797 117.968
 1389    HA2  GLY  14           HA2      GLY  14  71.761 -23.320 118.376
 1390    HA3  GLY  14           HA1      GLY  14  72.697 -24.082 117.088
 1391    H    GLU  15           HN       GLU  15  71.882 -22.480 115.542
 1392    HA   GLU  15           HA       GLU  15  69.116 -23.056 114.627
 1393    HB2  GLU  15           HB2      GLU  15  70.522 -20.396 114.347
 1394    HB3  GLU  15           HB1      GLU  15  68.859 -20.783 113.908
 1395    HG2  GLU  15           HG2      GLU  15  69.917 -21.034 116.716
 1396    HG3  GLU  15           HG1      GLU  15  69.163 -19.570 116.101
 1397    H    THR  16           HN       THR  16  68.837 -22.784 112.285
 1398    HA   THR  16           HA       THR  16  71.295 -22.592 110.705
 1399    HB   THR  16           HB       THR  16  69.969 -24.823 109.575
 1400    HG1  THR  16           HG1      THR  16  69.896 -24.767 112.356
 1401   HG21  THR  16          HG21      THR  16  72.355 -24.503 109.528
 1402   HG22  THR  16          HG22      THR  16  72.003 -26.038 110.320
 1403   HG23  THR  16          HG23      THR  16  72.445 -24.629 111.284
 1404    H    THR  17           HN       THR  17  70.943 -21.830 108.645
 1405    HA   THR  17           HA       THR  17  68.177 -21.688 107.704
 1406    HB   THR  17           HB       THR  17  69.730 -19.120 107.692
 1407    HG1  THR  17           HG1      THR  17  67.926 -19.668 109.747
 1408   HG21  THR  17          HG21      THR  17  67.601 -18.144 107.426
 1409   HG22  THR  17          HG22      THR  17  66.769 -19.564 108.047
 1410   HG23  THR  17          HG23      THR  17  67.501 -19.599 106.446
 1411    H    THR  18           HN       THR  18  67.924 -21.019 105.546
 1412    HA   THR  18           HA       THR  18  70.228 -20.769 103.829
 1413    HB   THR  18           HB       THR  18  69.868 -23.273 104.226
 1414    HG1  THR  18           HG1      THR  18  69.773 -23.534 101.780
 1415   HG21  THR  18          HG21      THR  18  67.277 -22.881 104.038
 1416   HG22  THR  18          HG22      THR  18  67.985 -24.343 103.350
 1417   HG23  THR  18          HG23      THR  18  67.577 -22.984 102.305
 1418    H    GLU  19           HN       GLU  19  69.612 -20.106 101.701
 1419    HA   GLU  19           HA       GLU  19  66.926 -18.868 101.558
 1420    HB2  GLU  19           HB2      GLU  19  69.016 -17.455 101.318
 1421    HB3  GLU  19           HB1      GLU  19  69.385 -18.367  99.858
 1422    HG2  GLU  19           HG2      GLU  19  68.243 -16.586  98.908
 1423    HG3  GLU  19           HG1      GLU  19  66.886 -17.671  99.200
 1424    H    ALA  20           HN       ALA  20  65.449 -19.927 100.313
 1425    HA   ALA  20           HA       ALA  20  66.305 -21.193  97.818
 1426    HB1  ALA  20           HB1      ALA  20  64.655 -23.174  98.932
 1427    HB2  ALA  20           HB2      ALA  20  65.687 -22.686 100.273
 1428    HB3  ALA  20           HB3      ALA  20  66.409 -23.266  98.775
 1429    H    VAL  21           HN       VAL  21  64.520 -21.855  96.505
 1430    HA   VAL  21           HA       VAL  21  62.308 -20.008  96.683
 1431    HB   VAL  21           HB       VAL  21  62.999 -20.276  94.467
 1432   HG11  VAL  21          HG11      VAL  21  64.667 -21.932  94.753
 1433   HG12  VAL  21          HG12      VAL  21  63.547 -22.598  93.567
 1434   HG13  VAL  21          HG13      VAL  21  63.486 -23.147  95.239
 1435   HG21  VAL  21          HG21      VAL  21  61.285 -21.423  93.284
 1436   HG22  VAL  21          HG22      VAL  21  60.519 -20.973  94.807
 1437   HG23  VAL  21          HG23      VAL  21  61.087 -22.622  94.560
 1438    H    ASP  22           HN       ASP  22  62.946 -23.476  96.872
 1439    HA   ASP  22           HA       ASP  22  60.128 -23.905  97.704
 1440    HB2  ASP  22           HB2      ASP  22  61.025 -25.205  95.765
 1441    HB3  ASP  22           HB1      ASP  22  62.128 -25.993  96.889
 1442    H    ALA  23           HN       ALA  23  59.619 -25.198  99.408
 1443    HA   ALA  23           HA       ALA  23  61.328 -24.971 101.708
 1444    HB1  ALA  23           HB1      ALA  23  58.696 -26.393 101.265
 1445    HB2  ALA  23           HB2      ALA  23  58.926 -24.804 101.990
 1446    HB3  ALA  23           HB3      ALA  23  59.495 -26.246 102.829
 1447    H    ALA  24           HN       ALA  24  60.217 -27.617  99.623
 1448    HA   ALA  24           HA       ALA  24  61.469 -29.720 101.042
 1449    HB1  ALA  24           HB1      ALA  24  61.043 -31.083  99.125
 1450    HB2  ALA  24           HB2      ALA  24  61.004 -29.685  98.051
 1451    HB3  ALA  24           HB3      ALA  24  59.701 -29.941  99.212
 1452    H    THR  25           HN       THR  25  62.773 -27.570  98.362
 1453    HA   THR  25           HA       THR  25  65.189 -29.021  98.015
 1454    HB   THR  25           HB       THR  25  64.117 -27.119  96.527
 1455    HG1  THR  25           HG1      THR  25  65.912 -28.278  95.935
 1456   HG21  THR  25          HG21      THR  25  64.817 -24.918  96.859
 1457   HG22  THR  25          HG22      THR  25  66.250 -25.404  97.765
 1458   HG23  THR  25          HG23      THR  25  64.667 -25.441  98.535
 1459    H    ALA  26           HN       ALA  26  64.202 -26.560 100.326
 1460    HA   ALA  26           HA       ALA  26  66.805 -25.893 101.267
 1461    HB1  ALA  26           HB1      ALA  26  65.715 -24.600 102.884
 1462    HB2  ALA  26           HB2      ALA  26  64.345 -25.704 102.989
 1463    HB3  ALA  26           HB3      ALA  26  64.527 -24.653 101.585
 1464    H    GLU  27           HN       GLU  27  64.455 -28.318 102.111
 1465    HA   GLU  27           HA       GLU  27  65.621 -29.237 104.525
 1466    HB2  GLU  27           HB2      GLU  27  63.788 -30.599 104.583
 1467    HB3  GLU  27           HB1      GLU  27  63.272 -29.746 103.133
 1468    HG2  GLU  27           HG2      GLU  27  64.534 -31.472 101.772
 1469    HG3  GLU  27           HG1      GLU  27  64.801 -32.368 103.259
 1470    H    LYS  28           HN       LYS  28  66.270 -29.947 101.164
 1471    HA   LYS  28           HA       LYS  28  67.519 -32.423 101.409
 1472    HB2  LYS  28           HB2      LYS  28  68.205 -30.127  99.554
 1473    HB3  LYS  28           HB1      LYS  28  68.796 -31.779  99.368
 1474    HG2  LYS  28           HG2      LYS  28  66.387 -32.541  99.331
 1475    HG3  LYS  28           HG1      LYS  28  65.921 -30.844  99.262
 1476    HD2  LYS  28           HD2      LYS  28  67.339 -30.599  97.190
 1477    HD3  LYS  28           HD1      LYS  28  67.619 -32.340  97.230
 1478    HE2  LYS  28           HE2      LYS  28  65.358 -32.847  96.746
 1479    HE3  LYS  28           HE1      LYS  28  64.789 -31.267  97.265
 1480    HZ1  LYS  28           HZ1      LYS  28  64.840 -31.701  94.703
 1481    HZ2  LYS  28           HZ2      LYS  28  66.529 -31.553  94.806
 1482    HZ3  LYS  28           HZ3      LYS  28  65.536 -30.240  95.222
 1483    H    VAL  29           HN       VAL  29  68.875 -29.173 101.794
 1484    HA   VAL  29           HA       VAL  29  71.516 -30.100 102.366
 1485    HB   VAL  29           HB       VAL  29  70.300 -27.463 103.203
 1486   HG11  VAL  29          HG11      VAL  29  72.517 -27.946 104.123
 1487   HG12  VAL  29          HG12      VAL  29  72.648 -26.700 102.882
 1488   HG13  VAL  29          HG13      VAL  29  73.116 -28.360 102.516
 1489   HG21  VAL  29          HG21      VAL  29  71.455 -28.330 100.535
 1490   HG22  VAL  29          HG22      VAL  29  71.158 -26.651 100.984
 1491   HG23  VAL  29          HG23      VAL  29  69.809 -27.777 100.842
 1492    H    PHE  30           HN       PHE  30  68.898 -28.829 104.418
 1493    HA   PHE  30           HA       PHE  30  70.152 -29.137 106.893
 1494    HB2  PHE  30           HB2      PHE  30  67.218 -29.211 106.241
 1495    HB3  PHE  30           HB1      PHE  30  67.893 -29.011 107.846
 1496    HD1  PHE  30           HD2      PHE  30  70.017 -27.070 107.661
 1497    HD2  PHE  30           HD1      PHE  30  66.326 -27.217 105.449
 1498    HE1  PHE  30           HE2      PHE  30  70.141 -24.634 107.274
 1499    HE2  PHE  30           HE1      PHE  30  66.453 -24.780 105.094
 1500    HZ   PHE  30           HZ       PHE  30  68.357 -23.487 106.005
 1501    H    LYS  31           HN       LYS  31  67.934 -31.425 105.229
 1502    HA   LYS  31           HA       LYS  31  67.996 -33.244 107.443
 1503    HB2  LYS  31           HB2      LYS  31  66.976 -33.435 104.616
 1504    HB3  LYS  31           HB1      LYS  31  67.079 -34.884 105.619
 1505    HG2  LYS  31           HG2      LYS  31  65.673 -33.891 107.320
 1506    HG3  LYS  31           HG1      LYS  31  65.701 -32.333 106.505
 1507    HD2  LYS  31           HD2      LYS  31  63.867 -32.924 105.297
 1508    HD3  LYS  31           HD1      LYS  31  64.758 -34.268 104.588
 1509    HE2  LYS  31           HE2      LYS  31  64.182 -35.567 106.721
 1510    HE3  LYS  31           HE1      LYS  31  63.038 -34.267 107.069
 1511    HZ1  LYS  31           HZ1      LYS  31  61.883 -34.686 105.080
 1512    HZ2  LYS  31           HZ2      LYS  31  62.135 -36.207 105.792
 1513    HZ3  LYS  31           HZ3      LYS  31  63.098 -35.707 104.485
 1514    H    GLN  32           HN       GLN  32  69.831 -32.952 104.451
 1515    HA   GLN  32           HA       GLN  32  71.258 -35.414 104.820
 1516    HB2  GLN  32           HB2      GLN  32  70.928 -34.164 102.634
 1517    HB3  GLN  32           HB1      GLN  32  72.125 -33.007 103.219
 1518    HG2  GLN  32           HG2      GLN  32  73.729 -34.897 103.541
 1519    HG3  GLN  32           HG1      GLN  32  72.542 -35.982 102.816
 1520   HE21  GLN  32          HE21      GLN  32  75.302 -34.185 102.041
 1521   HE22  GLN  32          HE22      GLN  32  75.011 -33.948 100.386
 1522    H    TYR  33           HN       TYR  33  71.625 -32.069 105.724
 1523    HA   TYR  33           HA       TYR  33  74.316 -32.163 106.600
 1524    HB2  TYR  33           HB2      TYR  33  73.389 -30.055 106.056
 1525    HB3  TYR  33           HB1      TYR  33  71.975 -30.349 107.064
 1526    HD1  TYR  33           HD1      TYR  33  75.618 -29.709 107.125
 1527    HD2  TYR  33           HD2      TYR  33  71.978 -29.904 109.399
 1528    HE1  TYR  33           HE1      TYR  33  76.769 -28.667 109.059
 1529    HE2  TYR  33           HE2      TYR  33  73.129 -28.863 111.330
 1530    HH   TYR  33           HH       TYR  33  75.050 -27.509 111.813
 1531    H    ALA  34           HN       ALA  34  71.188 -32.585 108.226
 1532    HA   ALA  34           HA       ALA  34  72.107 -32.590 110.872
 1533    HB1  ALA  34           HB1      ALA  34  69.881 -34.456 110.287
 1534    HB2  ALA  34           HB2      ALA  34  69.656 -32.826 109.659
 1535    HB3  ALA  34           HB3      ALA  34  69.928 -33.072 111.381
 1536    H    ASN  35           HN       ASN  35  72.016 -35.261 108.447
 1537    HA   ASN  35           HA       ASN  35  72.733 -37.268 110.332
 1538    HB2  ASN  35           HB2      ASN  35  71.696 -37.413 107.901
 1539    HB3  ASN  35           HB1      ASN  35  73.386 -37.474 107.406
 1540   HD21  ASN  35          HD21      ASN  35  74.321 -39.608 107.436
 1541   HD22  ASN  35          HD22      ASN  35  73.696 -40.902 108.340
 1542    H    ASP  36           HN       ASP  36  74.501 -35.241 108.015
 1543    HA   ASP  36           HA       ASP  36  77.063 -36.350 108.456
 1544    HB2  ASP  36           HB2      ASP  36  76.565 -33.526 107.558
 1545    HB3  ASP  36           HB1      ASP  36  77.853 -34.630 107.074
 1546    H    ASN  37           HN       ASN  37  75.257 -33.926 110.282
 1547    HA   ASN  37           HA       ASN  37  77.705 -32.997 111.582
 1548    HB2  ASN  37           HB2      ASN  37  76.392 -31.277 112.497
 1549    HB3  ASN  37           HB1      ASN  37  75.845 -31.485 110.840
 1550   HD21  ASN  37          HD21      ASN  37  73.954 -30.261 112.264
 1551   HD22  ASN  37          HD22      ASN  37  72.733 -31.320 112.782
 1552    H    GLY  38           HN       GLY  38  75.061 -35.237 112.320
 1553    HA2  GLY  38           HA2      GLY  38  75.829 -36.896 114.045
 1554    HA3  GLY  38           HA1      GLY  38  76.166 -35.517 115.072
 1555    H    VAL  39           HN       VAL  39  73.408 -34.461 113.724
 1556    HA   VAL  39           HA       VAL  39  71.708 -35.878 115.721
 1557    HB   VAL  39           HB       VAL  39  71.905 -33.677 116.515
 1558   HG11  VAL  39          HG11      VAL  39  71.470 -32.710 113.679
 1559   HG12  VAL  39          HG12      VAL  39  73.011 -32.743 114.527
 1560   HG13  VAL  39          HG13      VAL  39  71.723 -31.689 115.094
 1561   HG21  VAL  39          HG21      VAL  39  69.708 -32.729 116.306
 1562   HG22  VAL  39          HG22      VAL  39  69.513 -34.475 116.182
 1563   HG23  VAL  39          HG23      VAL  39  69.468 -33.480 114.732
 1564    H    ASP  40           HN       ASP  40  70.484 -37.291 114.717
 1565    HA   ASP  40           HA       ASP  40  68.884 -36.414 112.377
 1566    HB2  ASP  40           HB2      ASP  40  70.794 -38.122 111.916
 1567    HB3  ASP  40           HB1      ASP  40  69.771 -39.273 112.772
 1568    H    GLY  41           HN       GLY  41  66.782 -36.206 113.212
 1569    HA2  GLY  41           HA2      GLY  41  65.752 -38.508 114.767
 1570    HA3  GLY  41           HA1      GLY  41  65.614 -36.898 115.451
 1571    H    GLU  42           HN       GLU  42  63.257 -37.111 115.472
 1572    HA   GLU  42           HA       GLU  42  61.866 -37.579 113.041
 1573    HB2  GLU  42           HB2      GLU  42  60.568 -36.237 115.389
 1574    HB3  GLU  42           HB1      GLU  42  59.928 -37.471 114.309
 1575    HG2  GLU  42           HG2      GLU  42  61.675 -39.049 115.318
 1576    HG3  GLU  42           HG1      GLU  42  61.910 -37.822 116.561
 1577    H    TRP  43           HN       TRP  43  61.023 -36.136 111.663
 1578    HA   TRP  43           HA       TRP  43  61.921 -33.345 111.941
 1579    HB2  TRP  43           HB2      TRP  43  61.244 -35.062 109.559
 1580    HB3  TRP  43           HB1      TRP  43  61.546 -33.327 109.450
 1581    HD1  TRP  43           HD1      TRP  43  63.341 -36.638 110.253
 1582    HE1  TRP  43           HE1      TRP  43  65.883 -36.210 110.201
 1583    HE3  TRP  43           HE3      TRP  43  63.352 -31.589 109.656
 1584    HZ2  TRP  43           HZ2      TRP  43  67.667 -34.017 109.901
 1585    HZ3  TRP  43           HZ3      TRP  43  65.480 -30.357 109.477
 1586    HH2  TRP  43           HH2      TRP  43  67.644 -31.556 109.598
 1587    H    THR  44           HN       THR  44  60.700 -31.744 110.999
 1588    HA   THR  44           HA       THR  44  57.861 -32.032 110.565
 1589    HB   THR  44           HB       THR  44  57.859 -31.887 112.999
 1590    HG1  THR  44           HG1      THR  44  56.878 -29.998 111.378
 1591   HG21  THR  44          HG21      THR  44  59.836 -29.657 112.503
 1592   HG22  THR  44          HG22      THR  44  59.961 -31.032 113.598
 1593   HG23  THR  44          HG23      THR  44  58.868 -29.704 113.975
 1594    H    TYR  45           HN       TYR  45  56.984 -29.846 109.800
 1595    HA   TYR  45           HA       TYR  45  59.006 -27.828 109.274
 1596    HB2  TYR  45           HB2      TYR  45  59.455 -29.162 107.360
 1597    HB3  TYR  45           HB1      TYR  45  57.742 -29.429 107.053
 1598    HD1  TYR  45           HD1      TYR  45  59.870 -26.381 107.717
 1599    HD2  TYR  45           HD2      TYR  45  56.990 -28.283 105.155
 1600    HE1  TYR  45           HE1      TYR  45  59.801 -24.366 106.293
 1601    HE2  TYR  45           HE2      TYR  45  56.927 -26.257 103.729
 1602    HH   TYR  45           HH       TYR  45  57.823 -24.259 103.337
 1603    H    ASP  46           HN       ASP  46  58.108 -25.958 109.645
 1604    HA   ASP  46           HA       ASP  46  55.197 -25.675 109.281
 1605    HB2  ASP  46           HB2      ASP  46  56.037 -24.958 111.486
 1606    HB3  ASP  46           HB1      ASP  46  57.176 -23.852 110.697
 1607    H    ASP  47           HN       ASP  47  54.661 -24.961 107.222
 1608    HA   ASP  47           HA       ASP  47  56.596 -23.445 105.661
 1609    HB2  ASP  47           HB2      ASP  47  54.998 -25.314 104.808
 1610    HB3  ASP  47           HB1      ASP  47  53.772 -24.049 104.802
 1611    H    ALA  48           HN       ALA  48  54.227 -22.767 107.903
 1612    HA   ALA  48           HA       ALA  48  53.247 -20.305 106.752
 1613    HB1  ALA  48           HB1      ALA  48  51.941 -20.119 108.692
 1614    HB2  ALA  48           HB2      ALA  48  53.082 -21.049 109.663
 1615    HB3  ALA  48           HB3      ALA  48  52.077 -21.862 108.464
 1616    H    THR  49           HN       THR  49  55.967 -21.298 108.748
 1617    HA   THR  49           HA       THR  49  56.832 -18.476 109.007
 1618    HB   THR  49           HB       THR  49  58.047 -19.421 111.155
 1619    HG1  THR  49           HG1      THR  49  57.238 -21.582 110.602
 1620   HG21  THR  49          HG21      THR  49  56.026 -18.904 112.529
 1621   HG22  THR  49          HG22      THR  49  55.079 -18.864 111.042
 1622   HG23  THR  49          HG23      THR  49  56.369 -17.690 111.298
 1623    H    LYS  50           HN       LYS  50  57.348 -21.084 107.251
 1624    HA   LYS  50           HA       LYS  50  59.173 -22.152 106.329
 1625    HB2  LYS  50           HB2      LYS  50  60.647 -19.555 106.728
 1626    HB3  LYS  50           HB1      LYS  50  60.742 -20.680 105.376
 1627    HG2  LYS  50           HG2      LYS  50  58.295 -19.010 106.056
 1628    HG3  LYS  50           HG1      LYS  50  59.478 -18.603 104.817
 1629    HD2  LYS  50           HD2      LYS  50  58.993 -20.780 103.693
 1630    HD3  LYS  50           HD1      LYS  50  57.726 -21.079 104.880
 1631    HE2  LYS  50           HE2      LYS  50  56.418 -19.266 104.109
 1632    HE3  LYS  50           HE1      LYS  50  57.769 -18.557 103.225
 1633    HZ1  LYS  50           HZ1      LYS  50  56.723 -19.589 101.522
 1634    HZ2  LYS  50           HZ2      LYS  50  56.042 -20.796 102.505
 1635    HZ3  LYS  50           HZ3      LYS  50  57.673 -20.895 102.039
 1636    H    THR  51           HN       THR  51  59.026 -22.957 108.898
 1637    HA   THR  51           HA       THR  51  61.853 -22.858 109.818
 1638    HB   THR  51           HB       THR  51  59.380 -22.692 111.565
 1639    HG1  THR  51           HG1      THR  51  60.215 -20.702 112.070
 1640   HG21  THR  51          HG21      THR  51  62.286 -23.226 112.205
 1641   HG22  THR  51          HG22      THR  51  60.862 -24.096 112.775
 1642   HG23  THR  51          HG23      THR  51  61.213 -22.481 113.389
 1643    H    PHE  52           HN       PHE  52  62.820 -24.840 110.037
 1644    HA   PHE  52           HA       PHE  52  61.134 -27.269 110.159
 1645    HB2  PHE  52           HB2      PHE  52  63.971 -26.733 109.274
 1646    HB3  PHE  52           HB1      PHE  52  63.331 -28.360 109.496
 1647    HD1  PHE  52           HD2      PHE  52  62.781 -25.155 107.643
 1648    HD2  PHE  52           HD1      PHE  52  62.057 -29.388 107.821
 1649    HE1  PHE  52           HE2      PHE  52  61.860 -25.115 105.334
 1650    HE2  PHE  52           HE1      PHE  52  61.156 -29.334 105.517
 1651    HZ   PHE  52           HZ       PHE  52  61.061 -27.197 104.274
 1652    H    THR  53           HN       THR  53  61.906 -28.995 111.660
 1653    HA   THR  53           HA       THR  53  63.965 -28.258 113.581
 1654    HB   THR  53           HB       THR  53  62.683 -28.417 115.581
 1655    HG1  THR  53           HG1      THR  53  61.265 -30.041 114.671
 1656   HG21  THR  53          HG21      THR  53  62.533 -26.210 114.418
 1657   HG22  THR  53          HG22      THR  53  61.155 -26.538 115.450
 1658   HG23  THR  53          HG23      THR  53  61.015 -26.724 113.703
 1659    H    VAL  54           HN       VAL  54  65.156 -30.131 114.105
 1660    HA   VAL  54           HA       VAL  54  63.817 -32.741 113.599
 1661    HB   VAL  54           HB       VAL  54  65.709 -32.228 112.078
 1662   HG11  VAL  54          HG11      VAL  54  67.938 -31.964 112.901
 1663   HG12  VAL  54          HG12      VAL  54  67.454 -32.395 114.538
 1664   HG13  VAL  54          HG13      VAL  54  66.933 -30.863 113.843
 1665   HG21  VAL  54          HG21      VAL  54  66.822 -34.375 112.330
 1666   HG22  VAL  54          HG22      VAL  54  65.136 -34.585 112.803
 1667   HG23  VAL  54          HG23      VAL  54  66.388 -34.451 114.038
 1668    H    THR  55           HN       THR  55  63.493 -34.020 115.340
 1669    HA   THR  55           HA       THR  55  65.121 -33.573 117.781
 1670    HB   THR  55           HB       THR  55  62.636 -32.749 117.741
 1671    HG1  THR  55           HG1      THR  55  64.191 -33.214 119.559
 1672   HG21  THR  55          HG21      THR  55  61.839 -35.019 116.866
 1673   HG22  THR  55          HG22      THR  55  60.961 -34.370 118.248
 1674   HG23  THR  55          HG23      THR  55  62.158 -35.644 118.482
 1675    H    GLU  56           HN       GLU  56  66.295 -35.329 118.384
 1676    HA   GLU  56           HA       GLU  56  65.354 -38.014 117.537
 1677    HB2  GLU  56           HB2      GLU  56  67.887 -38.517 118.198
 1678    HB3  GLU  56           HB1      GLU  56  67.477 -37.844 116.620
 1679    HG2  GLU  56           HG2      GLU  56  67.916 -35.583 117.434
 1680    HG3  GLU  56           HG1      GLU  56  68.267 -36.210 119.044
 1681    H1   MET   1           HT1      MET   1  53.916  15.291  96.220
 1682    H2   MET   1           HT2      MET   1  54.632  16.821  96.396
 1683    H3   MET   1           HT3      MET   1  53.040  16.686  95.820
 1684    HA   MET   1           HA       MET   1  53.296  17.395  98.195
 1685    HB2  MET   1           HB2      MET   1  51.123  16.708  98.271
 1686    HB3  MET   1           HB1      MET   1  51.433  15.744  96.843
 1687    HG2  MET   1           HG2      MET   1  52.297  13.931  98.540
 1688    HG3  MET   1           HG1      MET   1  51.425  14.889  99.733
 1689    HE1  MET   1           HE1      MET   1  50.324  14.082  95.799
 1690    HE2  MET   1           HE2      MET   1  49.981  12.426  96.254
 1691    HE3  MET   1           HE3      MET   1  51.577  13.099  96.564
 1692    H    GLN   2           HN       GLN   2  53.106  15.965 100.412
 1693    HA   GLN   2           HA       GLN   2  55.469  14.165 100.471
 1694    HB2  GLN   2           HB2      GLN   2  54.673  16.348 102.408
 1695    HB3  GLN   2           HB1      GLN   2  55.892  15.126 102.760
 1696    HG2  GLN   2           HG2      GLN   2  57.254  15.867 100.894
 1697    HG3  GLN   2           HG1      GLN   2  55.997  16.988 100.371
 1698   HE21  GLN   2          HE21      GLN   2  55.521  17.589 103.493
 1699   HE22  GLN   2          HE22      GLN   2  56.765  18.686 103.846
 1700    H    TYR   3           HN       TYR   3  55.390  12.424 101.806
 1701    HA   TYR   3           HA       TYR   3  52.827  11.863 103.187
 1702    HB2  TYR   3           HB2      TYR   3  54.816   9.880 102.089
 1703    HB3  TYR   3           HB1      TYR   3  53.248   9.527 102.813
 1704    HD1  TYR   3           HD1      TYR   3  51.155  10.144 101.660
 1705    HD2  TYR   3           HD2      TYR   3  55.009  10.741  99.862
 1706    HE1  TYR   3           HE1      TYR   3  50.081  10.400  99.440
 1707    HE2  TYR   3           HE2      TYR   3  53.932  11.007  97.646
 1708    HH   TYR   3           HH       TYR   3  50.402  10.733  97.279
 1709    H    LYS   4           HN       LYS   4  52.971  11.070 105.263
 1710    HA   LYS   4           HA       LYS   4  55.696  11.104 106.466
 1711    HB2  LYS   4           HB2      LYS   4  54.369  13.019 107.183
 1712    HB3  LYS   4           HB1      LYS   4  53.045  11.958 107.652
 1713    HG2  LYS   4           HG2      LYS   4  54.433  10.928 109.385
 1714    HG3  LYS   4           HG1      LYS   4  55.825  11.885 108.881
 1715    HD2  LYS   4           HD2      LYS   4  53.390  13.500 109.500
 1716    HD3  LYS   4           HD1      LYS   4  54.055  12.636 110.882
 1717    HE2  LYS   4           HE2      LYS   4  55.886  14.218 109.092
 1718    HE3  LYS   4           HE1      LYS   4  54.945  15.032 110.344
 1719    HZ1  LYS   4           HZ1      LYS   4  56.673  14.459 111.629
 1720    HZ2  LYS   4           HZ2      LYS   4  57.181  13.208 110.599
 1721    HZ3  LYS   4           HZ3      LYS   4  55.909  12.946 111.695
 1722    H    LEU   5           HN       LEU   5  56.347   9.237 107.388
 1723    HA   LEU   5           HA       LEU   5  54.297   7.187 108.006
 1724    HB2  LEU   5           HB2      LEU   5  55.922   6.465 106.345
 1725    HB3  LEU   5           HB1      LEU   5  57.244   6.958 107.367
 1726    HG   LEU   5           HG       LEU   5  56.599   4.417 107.160
 1727   HD11  LEU   5          HD11      LEU   5  57.296   5.720 109.788
 1728   HD12  LEU   5          HD12      LEU   5  58.396   5.109 108.560
 1729   HD13  LEU   5          HD13      LEU   5  57.392   3.994 109.479
 1730   HD21  LEU   5          HD21      LEU   5  54.886   4.979 109.552
 1731   HD22  LEU   5          HD22      LEU   5  55.000   3.524 108.586
 1732   HD23  LEU   5          HD23      LEU   5  54.184   4.935 107.943
 1733    H    ILE   6           HN       ILE   6  53.965   6.633 110.099
 1734    HA   ILE   6           HA       ILE   6  55.724   7.829 112.155
 1735    HB   ILE   6           HB       ILE   6  53.096   6.381 112.545
 1736   HG12  ILE   6          HG12      ILE   6  52.678   8.327 111.145
 1737   HG13  ILE   6          HG11      ILE   6  52.119   8.675 112.778
 1738   HG21  ILE   6          HG21      ILE   6  54.498   6.472 114.521
 1739   HG22  ILE   6          HG22      ILE   6  53.149   7.592 114.718
 1740   HG23  ILE   6          HG23      ILE   6  54.750   8.203 114.302
 1741   HD11  ILE   6          HD11      ILE   6  54.570   9.691 111.358
 1742   HD12  ILE   6          HD12      ILE   6  54.471   9.715 113.117
 1743   HD13  ILE   6          HD13      ILE   6  53.297  10.611 112.156
 1744    H    LEU   7           HN       LEU   7  57.044   6.606 113.298
 1745    HA   LEU   7           HA       LEU   7  57.126   3.735 112.716
 1746    HB2  LEU   7           HB2      LEU   7  59.027   5.665 114.041
 1747    HB3  LEU   7           HB1      LEU   7  59.244   3.929 114.202
 1748    HG   LEU   7           HG       LEU   7  58.945   4.101 111.481
 1749   HD11  LEU   7          HD11      LEU   7  60.320   6.657 112.349
 1750   HD12  LEU   7          HD12      LEU   7  58.769   6.556 111.517
 1751   HD13  LEU   7          HD13      LEU   7  60.243   6.042 110.699
 1752   HD21  LEU   7          HD21      LEU   7  61.517   4.590 113.003
 1753   HD22  LEU   7          HD22      LEU   7  61.390   3.967 111.360
 1754   HD23  LEU   7          HD23      LEU   7  60.794   3.008 112.714
 1755    H    ASN   8           HN       ASN   8  55.981   2.453 113.904
 1756    HA   ASN   8           HA       ASN   8  56.026   2.743 116.832
 1757    HB2  ASN   8           HB2      ASN   8  53.609   1.755 116.609
 1758    HB3  ASN   8           HB1      ASN   8  53.853   3.490 116.420
 1759   HD21  ASN   8          HD21      ASN   8  52.136   1.062 115.047
 1760   HD22  ASN   8          HD22      ASN   8  52.117   1.582 113.432
 1761    H    GLY   9           HN       GLY   9  57.686   1.172 116.731
 1762    HA2  GLY   9           HA2      GLY   9  56.794  -1.543 115.923
 1763    HA3  GLY   9           HA1      GLY   9  58.451  -0.979 115.748
 1764    H    LYS  10           HN       LYS  10  59.105  -2.795 117.026
 1765    HA   LYS  10           HA       LYS  10  58.187  -3.087 119.707
 1766    HB2  LYS  10           HB2      LYS  10  60.850  -4.131 118.742
 1767    HB3  LYS  10           HB1      LYS  10  59.742  -4.841 119.916
 1768    HG2  LYS  10           HG2      LYS  10  58.077  -4.919 117.858
 1769    HG3  LYS  10           HG1      LYS  10  59.559  -4.816 116.909
 1770    HD2  LYS  10           HD2      LYS  10  60.444  -6.799 118.106
 1771    HD3  LYS  10           HD1      LYS  10  58.930  -6.915 119.005
 1772    HE2  LYS  10           HE2      LYS  10  57.722  -7.099 116.802
 1773    HE3  LYS  10           HE1      LYS  10  59.295  -7.191 116.009
 1774    HZ1  LYS  10           HZ1      LYS  10  58.673  -9.396 116.349
 1775    HZ2  LYS  10           HZ2      LYS  10  58.085  -9.098 117.915
 1776    HZ3  LYS  10           HZ3      LYS  10  59.757  -9.083 117.615
 1777    H    THR  11           HN       THR  11  61.249  -1.671 118.369
 1778    HA   THR  11           HA       THR  11  61.362   0.033 120.783
 1779    HB   THR  11           HB       THR  11  63.889  -0.209 120.634
 1780    HG1  THR  11           HG1      THR  11  63.395  -2.659 119.396
 1781   HG21  THR  11          HG21      THR  11  62.095  -2.534 121.341
 1782   HG22  THR  11          HG22      THR  11  62.657  -1.249 122.409
 1783   HG23  THR  11          HG23      THR  11  63.797  -2.445 121.794
 1784    H    LEU  12           HN       LEU  12  61.379  -0.176 117.396
 1785    HA   LEU  12           HA       LEU  12  62.899   2.262 117.009
 1786    HB2  LEU  12           HB2      LEU  12  62.343   0.002 115.439
 1787    HB3  LEU  12           HB1      LEU  12  61.404   1.277 114.670
 1788    HG   LEU  12           HG       LEU  12  64.378   1.268 115.237
 1789   HD11  LEU  12          HD11      LEU  12  63.572   0.036 113.222
 1790   HD12  LEU  12          HD12      LEU  12  64.579   1.423 112.821
 1791   HD13  LEU  12          HD13      LEU  12  62.830   1.531 112.642
 1792   HD21  LEU  12          HD21      LEU  12  63.904   3.558 113.781
 1793   HD22  LEU  12          HD22      LEU  12  64.104   3.518 115.525
 1794   HD23  LEU  12          HD23      LEU  12  62.487   3.522 114.828
 1795    H    LYS  13           HN       LYS  13  61.928   4.143 117.524
 1796    HA   LYS  13           HA       LYS  13  59.231   4.638 116.435
 1797    HB2  LYS  13           HB2      LYS  13  60.089   5.099 119.303
 1798    HB3  LYS  13           HB1      LYS  13  58.719   5.929 118.579
 1799    HG2  LYS  13           HG2      LYS  13  57.490   4.140 119.305
 1800    HG3  LYS  13           HG1      LYS  13  58.149   3.306 117.905
 1801    HD2  LYS  13           HD2      LYS  13  60.172   2.817 119.605
 1802    HD3  LYS  13           HD1      LYS  13  58.899   3.054 120.802
 1803    HE2  LYS  13           HE2      LYS  13  58.841   0.734 120.328
 1804    HE3  LYS  13           HE1      LYS  13  57.519   1.402 119.369
 1805    HZ1  LYS  13           HZ1      LYS  13  60.122   1.370 118.090
 1806    HZ2  LYS  13           HZ2      LYS  13  58.594   1.011 117.448
 1807    HZ3  LYS  13           HZ3      LYS  13  59.427  -0.153 118.359
 1808    H    GLY  14           HN       GLY  14  58.929   6.569 115.594
 1809    HA2  GLY  14           HA2      GLY  14  60.086   8.997 116.228
 1810    HA3  GLY  14           HA1      GLY  14  61.149   8.257 115.029
 1811    H    GLU  15           HN       GLU  15  60.554   9.934 113.461
 1812    HA   GLU  15           HA       GLU  15  57.901   9.465 112.212
 1813    HB2  GLU  15           HB2      GLU  15  59.397  12.092 112.193
 1814    HB3  GLU  15           HB1      GLU  15  57.787  11.767 111.551
 1815    HG2  GLU  15           HG2      GLU  15  58.502  11.393 114.451
 1816    HG3  GLU  15           HG1      GLU  15  57.860  12.898 113.805
 1817    H    THR  16           HN       THR  16  57.906   9.828 109.863
 1818    HA   THR  16           HA       THR  16  60.537   9.994 108.590
 1819    HB   THR  16           HB       THR  16  59.296   7.846 107.228
 1820    HG1  THR  16           HG1      THR  16  58.906   7.802 109.988
 1821   HG21  THR  16          HG21      THR  16  61.683   8.103 107.492
 1822   HG22  THR  16          HG22      THR  16  61.190   6.542 108.151
 1823   HG23  THR  16          HG23      THR  16  61.546   7.885 109.236
 1824    H    THR  17           HN       THR  17  60.455  10.831 106.533
 1825    HA   THR  17           HA       THR  17  57.825  11.095 105.280
 1826    HB   THR  17           HB       THR  17  59.445  13.608 105.546
 1827    HG1  THR  17           HG1      THR  17  57.394  13.040 107.352
 1828   HG21  THR  17          HG21      THR  17  57.393  14.665 105.067
 1829   HG22  THR  17          HG22      THR  17  56.452  13.254 105.532
 1830   HG23  THR  17          HG23      THR  17  57.369  13.248 104.028
 1831    H    THR  18           HN       THR  18  57.855  11.847 103.130
 1832    HA   THR  18           HA       THR  18  60.361  12.056 101.715
 1833    HB   THR  18           HB       THR  18  59.864   9.558 101.960
 1834    HG1  THR  18           HG1      THR  18  60.007   9.411  99.491
 1835   HG21  THR  18          HG21      THR  18  57.328  10.059 101.511
 1836   HG22  THR  18          HG22      THR  18  58.052   8.600 100.834
 1837   HG23  THR  18          HG23      THR  18  57.809  10.017  99.815
 1838    H    GLU  19           HN       GLU  19  60.048  12.829  99.568
 1839    HA   GLU  19           HA       GLU  19  57.438  14.164  99.141
 1840    HB2  GLU  19           HB2      GLU  19  59.542  15.545  99.255
 1841    HB3  GLU  19           HB1      GLU  19  60.129  14.680  97.839
 1842    HG2  GLU  19           HG2      GLU  19  59.176  16.532  96.807
 1843    HG3  GLU  19           HG1      GLU  19  57.792  15.446  96.802
 1844    H    ALA  20           HN       ALA  20  56.140  12.971  97.868
 1845    HA   ALA  20           HA       ALA  20  57.214  11.902  95.333
 1846    HB1  ALA  20           HB1      ALA  20  55.343   9.979  96.091
 1847    HB2  ALA  20           HB2      ALA  20  56.171  10.345  97.602
 1848    HB3  ALA  20           HB3      ALA  20  57.093   9.795  96.207
 1849    H    VAL  21           HN       VAL  21  55.535  11.391  93.781
 1850    HA   VAL  21           HA       VAL  21  53.431  13.384  93.775
 1851    HB   VAL  21           HB       VAL  21  54.379  13.135  91.645
 1852   HG11  VAL  21          HG11      VAL  21  55.819  11.262  92.033
 1853   HG12  VAL  21          HG12      VAL  21  54.791  10.817  90.674
 1854   HG13  VAL  21          HG13      VAL  21  54.455  10.175  92.276
 1855   HG21  VAL  21          HG21      VAL  21  52.677  12.258  90.248
 1856   HG22  VAL  21          HG22      VAL  21  51.822  12.692  91.727
 1857   HG23  VAL  21          HG23      VAL  21  52.237  11.008  91.413
 1858    H    ASP  22           HN       ASP  22  53.836   9.884  93.911
 1859    HA   ASP  22           HA       ASP  22  50.924   9.572  94.398
 1860    HB2  ASP  22           HB2      ASP  22  51.888   8.347  92.469
 1861    HB3  ASP  22           HB1      ASP  22  52.922   7.465  93.589
 1862    H    ALA  23           HN       ALA  23  50.187   8.096  95.922
 1863    HA   ALA  23           HA       ALA  23  51.610   8.154  98.417
 1864    HB1  ALA  23           HB1      ALA  23  49.032   6.806  97.588
 1865    HB2  ALA  23           HB2      ALA  23  49.193   8.360  98.406
 1866    HB3  ALA  23           HB3      ALA  23  49.637   6.874  99.242
 1867    H    ALA  24           HN       ALA  24  50.647   5.601  96.136
 1868    HA   ALA  24           HA       ALA  24  51.704   3.423  97.578
 1869    HB1  ALA  24           HB1      ALA  24  51.464   2.148  95.573
 1870    HB2  ALA  24           HB2      ALA  24  51.598   3.585  94.557
 1871    HB3  ALA  24           HB3      ALA  24  50.157   3.332  95.543
 1872    H    THR  25           HN       THR  25  53.351   5.661  95.188
 1873    HA   THR  25           HA       THR  25  55.761   4.159  95.045
 1874    HB   THR  25           HB       THR  25  54.864   6.152  93.538
 1875    HG1  THR  25           HG1      THR  25  56.677   4.946  93.070
 1876   HG21  THR  25          HG21      THR  25  55.629   8.310  94.010
 1877   HG22  THR  25          HG22      THR  25  56.922   7.732  95.063
 1878   HG23  THR  25          HG23      THR  25  55.254   7.736  95.634
 1879    H    ALA  26           HN       ALA  26  54.562   6.562  97.320
 1880    HA   ALA  26           HA       ALA  26  57.063   7.153  98.548
 1881    HB1  ALA  26           HB1      ALA  26  55.835   8.402 100.112
 1882    HB2  ALA  26           HB2      ALA  26  54.421   7.357  99.979
 1883    HB3  ALA  26           HB3      ALA  26  54.824   8.464  98.667
 1884    H    GLU  27           HN       GLU  27  54.598   4.769  99.067
 1885    HA   GLU  27           HA       GLU  27  55.517   3.770 101.557
 1886    HB2  GLU  27           HB2      GLU  27  53.637   2.494 101.448
 1887    HB3  GLU  27           HB1      GLU  27  53.271   3.395  99.983
 1888    HG2  GLU  27           HG2      GLU  27  54.508   1.651  98.669
 1889    HG3  GLU  27           HG1      GLU  27  54.700   0.732 100.144
 1890    H    LYS  28           HN       LYS  28  56.409   3.106  98.247
 1891    HA   LYS  28           HA       LYS  28  57.594   0.606  98.489
 1892    HB2  LYS  28           HB2      LYS  28  58.457   3.027  96.890
 1893    HB3  LYS  28           HB1      LYS  28  59.155   1.422  96.682
 1894    HG2  LYS  28           HG2      LYS  28  56.833   0.556  96.270
 1895    HG3  LYS  28           HG1      LYS  28  56.267   2.226  96.268
 1896    HD2  LYS  28           HD2      LYS  28  57.923   2.703  94.420
 1897    HD3  LYS  28           HD1      LYS  28  58.283   0.977  94.366
 1898    HE2  LYS  28           HE2      LYS  28  56.081   0.421  93.629
 1899    HE3  LYS  28           HE1      LYS  28  55.435   1.986  94.101
 1900    HZ1  LYS  28           HZ1      LYS  28  55.802   1.625  91.564
 1901    HZ2  LYS  28           HZ2      LYS  28  57.468   1.736  91.870
 1902    HZ3  LYS  28           HZ3      LYS  28  56.457   3.061  92.196
 1903    H    VAL  29           HN       VAL  29  58.972   3.806  99.184
 1904    HA   VAL  29           HA       VAL  29  61.515   2.785  99.989
 1905    HB   VAL  29           HB       VAL  29  60.264   5.417 100.788
 1906   HG11  VAL  29          HG11      VAL  29  62.332   4.846 101.963
 1907   HG12  VAL  29          HG12      VAL  29  62.648   6.133 100.799
 1908   HG13  VAL  29          HG13      VAL  29  63.124   4.475 100.432
 1909   HG21  VAL  29          HG21      VAL  29  61.739   4.621  98.259
 1910   HG22  VAL  29          HG22      VAL  29  61.408   6.288  98.729
 1911   HG23  VAL  29          HG23      VAL  29  60.074   5.191  98.372
 1912    H    PHE  30           HN       PHE  30  58.735   4.044 101.814
 1913    HA   PHE  30           HA       PHE  30  59.719   3.606 104.388
 1914    HB2  PHE  30           HB2      PHE  30  56.865   3.647 103.449
 1915    HB3  PHE  30           HB1      PHE  30  57.383   3.764 105.118
 1916    HD1  PHE  30           HD2      PHE  30  59.548   5.647 105.243
 1917    HD2  PHE  30           HD1      PHE  30  56.125   5.700 102.635
 1918    HE1  PHE  30           HE2      PHE  30  59.776   8.092 104.973
 1919    HE2  PHE  30           HE1      PHE  30  56.352   8.139 102.392
 1920    HZ   PHE  30           HZ       PHE  30  58.174   9.339 103.560
 1921    H    LYS  31           HN       LYS  31  57.655   1.446 102.394
 1922    HA   LYS  31           HA       LYS  31  57.389  -0.441 104.528
 1923    HB2  LYS  31           HB2      LYS  31  56.551  -0.253 101.708
 1924    HB3  LYS  31           HB1      LYS  31  56.776  -1.882 102.280
 1925    HG2  LYS  31           HG2      LYS  31  55.147  -1.634 103.969
 1926    HG3  LYS  31           HG1      LYS  31  55.187   0.113 103.871
 1927    HD2  LYS  31           HD2      LYS  31  53.709   0.199 102.137
 1928    HD3  LYS  31           HD1      LYS  31  54.466  -1.155 101.310
 1929    HE2  LYS  31           HE2      LYS  31  53.092  -2.206 103.608
 1930    HE3  LYS  31           HE1      LYS  31  51.994  -1.157 102.721
 1931    HZ1  LYS  31           HZ1      LYS  31  52.077  -2.438 100.895
 1932    HZ2  LYS  31           HZ2      LYS  31  52.448  -3.652 102.025
 1933    HZ3  LYS  31           HZ3      LYS  31  53.689  -2.908 101.135
 1934    H    GLN  32           HN       GLN  32  59.576  -0.115 101.792
 1935    HA   GLN  32           HA       GLN  32  60.875  -2.636 102.229
 1936    HB2  GLN  32           HB2      GLN  32  60.845  -1.304 100.070
 1937    HB3  GLN  32           HB1      GLN  32  61.987  -0.200 100.836
 1938    HG2  GLN  32           HG2      GLN  32  63.499  -2.143 101.277
 1939    HG3  GLN  32           HG1      GLN  32  62.386  -3.167 100.369
 1940   HE21  GLN  32          HE21      GLN  32  65.259  -1.419 100.009
 1941   HE22  GLN  32          HE22      GLN  32  65.178  -1.112  98.341
 1942    H    TYR  33           HN       TYR  33  61.220   0.660 103.294
 1943    HA   TYR  33           HA       TYR  33  63.781   0.459 104.485
 1944    HB2  TYR  33           HB2      TYR  33  62.981   2.607 103.902
 1945    HB3  TYR  33           HB1      TYR  33  61.448   2.323 104.717
 1946    HD1  TYR  33           HD1      TYR  33  65.066   2.867 105.249
 1947    HD2  TYR  33           HD2      TYR  33  61.171   2.691 107.053
 1948    HE1  TYR  33           HE1      TYR  33  65.992   3.814 107.346
 1949    HE2  TYR  33           HE2      TYR  33  62.099   3.639 109.148
 1950    HH   TYR  33           HH       TYR  33  63.975   4.927 109.908
 1951    H    ALA  34           HN       ALA  34  60.465   0.072 105.700
 1952    HA   ALA  34           HA       ALA  34  61.047  -0.033 108.438
 1953    HB1  ALA  34           HB1      ALA  34  58.882  -1.836 107.512
 1954    HB2  ALA  34           HB2      ALA  34  58.758  -0.177 106.935
 1955    HB3  ALA  34           HB3      ALA  34  58.815  -0.501 108.665
 1956    H    ASN  35           HN       ASN  35  61.206  -2.627 105.935
 1957    HA   ASN  35           HA       ASN  35  61.653  -4.708 107.823
 1958    HB2  ASN  35           HB2      ASN  35  60.914  -4.743 105.278
 1959    HB3  ASN  35           HB1      ASN  35  62.649  -4.844 104.993
 1960   HD21  ASN  35          HD21      ASN  35  63.497  -7.014 105.042
 1961   HD22  ASN  35          HD22      ASN  35  62.733  -8.310 105.829
 1962    H    ASP  36           HN       ASP  36  63.724  -2.648 105.804
 1963    HA   ASP  36           HA       ASP  36  66.192  -3.836 106.499
 1964    HB2  ASP  36           HB2      ASP  36  65.859  -0.969 105.657
 1965    HB3  ASP  36           HB1      ASP  36  67.174  -2.086 105.287
 1966    H    ASN  37           HN       ASN  37  64.235  -1.438 108.197
 1967    HA   ASN  37           HA       ASN  37  66.534  -0.621 109.808
 1968    HB2  ASN  37           HB2      ASN  37  65.165   1.105 110.624
 1969    HB3  ASN  37           HB1      ASN  37  64.812   0.967 108.908
 1970   HD21  ASN  37          HD21      ASN  37  62.799   2.198 110.151
 1971   HD22  ASN  37          HD22      ASN  37  61.499   1.159 110.480
 1972    H    GLY  38           HN       GLY  38  63.768  -2.808 110.141
 1973    HA2  GLY  38           HA2      GLY  38  64.286  -4.549 111.880
 1974    HA3  GLY  38           HA1      GLY  38  64.527  -3.217 112.992
 1975    H    VAL  39           HN       VAL  39  61.982  -2.021 111.391
 1976    HA   VAL  39           HA       VAL  39  60.023  -3.465 113.113
 1977    HB   VAL  39           HB       VAL  39  60.177  -1.298 114.002
 1978   HG11  VAL  39          HG11      VAL  39  60.109  -0.228 111.171
 1979   HG12  VAL  39          HG12      VAL  39  61.535  -0.331 112.196
 1980   HG13  VAL  39          HG13      VAL  39  60.213   0.740 112.640
 1981   HG21  VAL  39          HG21      VAL  39  58.043  -0.287 113.577
 1982   HG22  VAL  39          HG22      VAL  39  57.821  -2.019 113.350
 1983   HG23  VAL  39          HG23      VAL  39  57.976  -0.962 111.953
 1984    H    ASP  40           HN       ASP  40  58.893  -4.808 111.926
 1985    HA   ASP  40           HA       ASP  40  57.591  -3.816 109.450
 1986    HB2  ASP  40           HB2      ASP  40  59.504  -5.558 109.153
 1987    HB3  ASP  40           HB1      ASP  40  58.363  -6.708 109.844
 1988    H    GLY  41           HN       GLY  41  55.412  -3.582 110.049
 1989    HA2  GLY  41           HA2      GLY  41  54.162  -5.907 111.396
 1990    HA3  GLY  41           HA1      GLY  41  53.982  -4.316 112.117
 1991    H    GLU  42           HN       GLU  42  51.635  -4.447 111.864
 1992    HA   GLU  42           HA       GLU  42  50.516  -4.813 109.281
 1993    HB2  GLU  42           HB2      GLU  42  48.999  -3.482 111.502
 1994    HB3  GLU  42           HB1      GLU  42  48.450  -4.670 110.325
 1995    HG2  GLU  42           HG2      GLU  42  50.035  -6.321 111.485
 1996    HG3  GLU  42           HG1      GLU  42  50.140  -5.133 112.783
 1997    H    TRP  43           HN       TRP  43  49.785  -3.291 107.892
 1998    HA   TRP  43           HA       TRP  43  50.774  -0.548 108.333
 1999    HB2  TRP  43           HB2      TRP  43  50.350  -2.208 105.852
 2000    HB3  TRP  43           HB1      TRP  43  50.713  -0.481 105.811
 2001    HD1  TRP  43           HD1      TRP  43  52.302  -3.846 106.875
 2002    HE1  TRP  43           HE1      TRP  43  54.834  -3.478 107.156
 2003    HE3  TRP  43           HE3      TRP  43  52.513   1.172 106.149
 2004    HZ2  TRP  43           HZ2      TRP  43  56.705  -1.321 107.031
 2005    HZ3  TRP  43           HZ3      TRP  43  54.670   2.355 106.214
 2006    HH2  TRP  43           HH2      TRP  43  56.771   1.125 106.653
 2007    H    THR  44           HN       THR  44  49.738   1.114 107.313
 2008    HA   THR  44           HA       THR  44  46.964   0.952 106.528
 2009    HB   THR  44           HB       THR  44  46.683   1.023 108.951
 2010    HG1  THR  44           HG1      THR  44  45.961   2.995 107.291
 2011   HG21  THR  44          HG21      THR  44  48.770   3.201 108.763
 2012   HG22  THR  44          HG22      THR  44  48.734   1.785 109.810
 2013   HG23  THR  44          HG23      THR  44  47.642   3.133 110.114
 2014    H    TYR  45           HN       TYR  45  46.257   3.188 105.744
 2015    HA   TYR  45           HA       TYR  45  48.379   5.159 105.536
 2016    HB2  TYR  45           HB2      TYR  45  49.028   3.884 103.640
 2017    HB3  TYR  45           HB1      TYR  45  47.359   3.668 103.121
 2018    HD1  TYR  45           HD1      TYR  45  49.461   6.635 104.140
 2019    HD2  TYR  45           HD2      TYR  45  46.850   4.902 101.199
 2020    HE1  TYR  45           HE1      TYR  45  49.604   8.699 102.791
 2021    HE2  TYR  45           HE2      TYR  45  46.997   6.975  99.851
 2022    HH   TYR  45           HH       TYR  45  47.989   8.957  99.631
 2023    H    ASP  46           HN       ASP  46  47.463   7.026 105.903
 2024    HA   ASP  46           HA       ASP  46  44.632   7.390 105.173
 2025    HB2  ASP  46           HB2      ASP  46  45.165   7.988 107.494
 2026    HB3  ASP  46           HB1      ASP  46  46.444   9.078 106.934
 2027    H    ASP  47           HN       ASP  47  44.377   8.200 103.102
 2028    HA   ASP  47           HA       ASP  47  46.511   9.736 101.858
 2029    HB2  ASP  47           HB2      ASP  47  44.999   7.952 100.730
 2030    HB3  ASP  47           HB1      ASP  47  43.794   9.234 100.653
 2031    H    ALA  48           HN       ALA  48  43.901  10.378 103.828
 2032    HA   ALA  48           HA       ALA  48  43.101  12.903 102.686
 2033    HB1  ALA  48           HB1      ALA  48  41.575  13.025 104.458
 2034    HB2  ALA  48           HB2      ALA  48  42.608  12.092 105.541
 2035    HB3  ALA  48           HB3      ALA  48  41.750  11.286 104.229
 2036    H    THR  49           HN       THR  49  45.565  11.775 104.939
 2037    HA   THR  49           HA       THR  49  46.460  14.569 105.368
 2038    HB   THR  49           HB       THR  49  47.417  13.568 107.606
 2039    HG1  THR  49           HG1      THR  49  46.648  11.424 106.904
 2040   HG21  THR  49          HG21      THR  49  45.227  14.032 108.761
 2041   HG22  THR  49          HG22      THR  49  44.492  14.177 107.164
 2042   HG23  THR  49          HG23      THR  49  45.759  15.300 107.657
 2043    H    LYS  50           HN       LYS  50  47.106  12.013 103.596
 2044    HA   LYS  50           HA       LYS  50  48.994  10.921 102.841
 2045    HB2  LYS  50           HB2      LYS  50  50.472  13.468 103.485
 2046    HB3  LYS  50           HB1      LYS  50  50.689  12.385 102.113
 2047    HG2  LYS  50           HG2      LYS  50  48.224  14.098 102.582
 2048    HG3  LYS  50           HG1      LYS  50  49.539  14.505 101.486
 2049    HD2  LYS  50           HD2      LYS  50  49.116  12.386 100.237
 2050    HD3  LYS  50           HD1      LYS  50  47.737  12.073 101.288
 2051    HE2  LYS  50           HE2      LYS  50  46.522  13.911 100.458
 2052    HE3  LYS  50           HE1      LYS  50  47.957  14.667  99.767
 2053    HZ1  LYS  50           HZ1      LYS  50  47.148  13.728  97.899
 2054    HZ2  LYS  50           HZ2      LYS  50  46.307  12.506  98.728
 2055    HZ3  LYS  50           HZ3      LYS  50  47.981  12.367  98.470
 2056    H    THR  51           HN       THR  51  48.545  10.059 105.364
 2057    HA   THR  51           HA       THR  51  51.258  10.039 106.580
 2058    HB   THR  51           HB       THR  51  48.611  10.229 108.048
 2059    HG1  THR  51           HG1      THR  51  49.427  12.174 108.703
 2060   HG21  THR  51          HG21      THR  51  51.406   9.568 108.992
 2061   HG22  THR  51          HG22      THR  51  49.896   8.737 109.370
 2062   HG23  THR  51          HG23      THR  51  50.233  10.319 110.074
 2063    H    PHE  52           HN       PHE  52  52.144   8.021 106.851
 2064    HA   PHE  52           HA       PHE  52  50.392   5.640 106.687
 2065    HB2  PHE  52           HB2      PHE  52  53.327   6.118 106.167
 2066    HB3  PHE  52           HB1      PHE  52  52.621   4.505 106.249
 2067    HD1  PHE  52           HD2      PHE  52  52.383   7.789 104.472
 2068    HD2  PHE  52           HD1      PHE  52  51.536   3.576 104.391
 2069    HE1  PHE  52           HE2      PHE  52  51.757   7.943 102.074
 2070    HE2  PHE  52           HE1      PHE  52  50.928   3.741 101.998
 2071    HZ   PHE  52           HZ       PHE  52  51.041   5.925 100.840
 2072    H    THR  53           HN       THR  53  50.951   3.837 108.201
 2073    HA   THR  53           HA       THR  53  52.780   4.457 110.378
 2074    HB   THR  53           HB       THR  53  51.262   4.264 112.206
 2075    HG1  THR  53           HG1      THR  53  49.922   2.716 111.088
 2076   HG21  THR  53          HG21      THR  53  51.313   6.515 111.135
 2077   HG22  THR  53          HG22      THR  53  49.797   6.189 111.952
 2078   HG23  THR  53          HG23      THR  53  49.897   6.076 110.196
 2079    H    VAL  54           HN       VAL  54  53.858   2.533 110.973
 2080    HA   VAL  54           HA       VAL  54  52.520  -0.018 110.226
 2081    HB   VAL  54           HB       VAL  54  54.577   0.432 108.942
 2082   HG11  VAL  54          HG11      VAL  54  56.702   0.678 110.003
 2083   HG12  VAL  54          HG12      VAL  54  56.045   0.241 111.578
 2084   HG13  VAL  54          HG13      VAL  54  55.617   1.784 110.844
 2085   HG21  VAL  54          HG21      VAL  54  55.640  -1.728 109.363
 2086   HG22  VAL  54          HG22      VAL  54  53.900  -1.906 109.587
 2087   HG23  VAL  54          HG23      VAL  54  54.960  -1.785 110.990
 2088    H    THR  55           HN       THR  55  51.962  -1.348 111.869
 2089    HA   THR  55           HA       THR  55  53.313  -1.035 114.494
 2090    HB   THR  55           HB       THR  55  50.868  -0.137 114.205
 2091    HG1  THR  55           HG1      THR  55  52.198  -0.705 116.166
 2092   HG21  THR  55          HG21      THR  55  50.117  -2.350 113.165
 2093   HG22  THR  55          HG22      THR  55  49.108  -1.725 114.466
 2094   HG23  THR  55          HG23      THR  55  50.240  -3.040 114.781
 2095    H    GLU  56           HN       GLU  56  54.363  -2.846 115.159
 2096    HA   GLU  56           HA       GLU  56  53.460  -5.468 114.104
 2097    HB2  GLU  56           HB2      GLU  56  55.883  -6.069 115.047
 2098    HB3  GLU  56           HB1      GLU  56  55.680  -5.339 113.455
 2099    HG2  GLU  56           HG2      GLU  56  56.072  -3.115 114.390
 2100    HG3  GLU  56           HG1      GLU  56  56.223  -3.803 116.008
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  53.765  -0.863 100.045
    2    H2   MET   1           HT2      MET   1  53.871  -2.556 100.017
    3    H3   MET   1           HT3      MET   1  52.360  -1.791  99.864
    4    HA   MET   1           HA       MET   1  52.762  -1.065  97.739
    5    HB2  MET   1           HB2      MET   1  54.804  -0.372  96.970
    6    HB3  MET   1           HB1      MET   1  55.327  -0.546  98.633
    7    HG2  MET   1           HG2      MET   1  55.601  -2.663  96.471
    8    HG3  MET   1           HG1      MET   1  56.898  -1.691  97.148
    9    HE1  MET   1           HE1      MET   1  58.311  -2.340  98.945
   10    HE2  MET   1           HE2      MET   1  57.725  -2.971 100.475
   11    HE3  MET   1           HE3      MET   1  57.097  -1.448  99.864
   12    H    GLN   2           HN       GLN   2  53.453  -2.450  95.727
   13    HA   GLN   2           HA       GLN   2  52.967  -5.306  96.389
   14    HB2  GLN   2           HB2      GLN   2  51.945  -3.719  94.011
   15    HB3  GLN   2           HB1      GLN   2  51.675  -5.435  94.285
   16    HG2  GLN   2           HG2      GLN   2  50.310  -4.991  96.214
   17    HG3  GLN   2           HG1      GLN   2  50.763  -3.290  96.221
   18   HE21  GLN   2          HE21      GLN   2  50.464  -3.058  93.148
   19   HE22  GLN   2          HE22      GLN   2  48.789  -3.078  92.872
   20    H    TYR   3           HN       TYR   3  54.019  -6.854  95.159
   21    HA   TYR   3           HA       TYR   3  56.040  -5.851  93.245
   22    HB2  TYR   3           HB2      TYR   3  56.373  -8.530  94.536
   23    HB3  TYR   3           HB1      TYR   3  57.589  -7.414  93.915
   24    HD1  TYR   3           HD2      TYR   3  54.948  -7.655  96.548
   25    HD2  TYR   3           HD1      TYR   3  58.801  -6.123  95.449
   26    HE1  TYR   3           HE2      TYR   3  55.269  -6.802  98.845
   27    HE2  TYR   3           HE1      TYR   3  59.127  -5.279  97.752
   28    HH   TYR   3           HH       TYR   3  56.828  -6.024 100.317
   29    H    LYS   4           HN       LYS   4  56.465  -7.274  91.468
   30    HA   LYS   4           HA       LYS   4  54.078  -8.910  90.743
   31    HB2  LYS   4           HB2      LYS   4  54.335  -6.756  89.518
   32    HB3  LYS   4           HB1      LYS   4  55.911  -7.294  88.951
   33    HG2  LYS   4           HG2      LYS   4  54.838  -9.213  87.806
   34    HG3  LYS   4           HG1      LYS   4  53.258  -8.647  88.358
   35    HD2  LYS   4           HD2      LYS   4  53.604  -6.506  87.167
   36    HD3  LYS   4           HD1      LYS   4  55.179  -7.071  86.609
   37    HE2  LYS   4           HE2      LYS   4  53.639  -7.464  84.815
   38    HE3  LYS   4           HE1      LYS   4  53.966  -9.033  85.549
   39    HZ1  LYS   4           HZ1      LYS   4  51.624  -7.304  86.105
   40    HZ2  LYS   4           HZ2      LYS   4  51.950  -8.791  86.861
   41    HZ3  LYS   4           HZ3      LYS   4  51.613  -8.736  85.196
   42    H    LEU   5           HN       LEU   5  54.470 -11.029  90.357
   43    HA   LEU   5           HA       LEU   5  57.257 -11.850  89.788
   44    HB2  LEU   5           HB2      LEU   5  56.343 -12.887  91.798
   45    HB3  LEU   5           HB1      LEU   5  54.945 -13.433  90.913
   46    HG   LEU   5           HG       LEU   5  56.895 -15.107  91.470
   47   HD11  LEU   5          HD11      LEU   5  56.389 -16.444  89.477
   48   HD12  LEU   5          HD12      LEU   5  55.609 -15.051  88.741
   49   HD13  LEU   5          HD13      LEU   5  54.947 -15.756  90.213
   50   HD21  LEU   5          HD21      LEU   5  58.688 -15.330  89.992
   51   HD22  LEU   5          HD22      LEU   5  58.622 -13.603  90.260
   52   HD23  LEU   5          HD23      LEU   5  57.968 -14.284  88.786
   53    H    ILE   6           HN       ILE   6  57.734 -12.621  87.862
   54    HA   ILE   6           HA       ILE   6  55.581 -12.980  85.877
   55    HB   ILE   6           HB       ILE   6  58.572 -12.954  85.420
   56   HG12  ILE   6          HG12      ILE   6  57.855 -10.850  86.527
   57   HG13  ILE   6          HG11      ILE   6  58.382 -10.580  84.869
   58   HG21  ILE   6          HG21      ILE   6  57.842 -12.327  83.118
   59   HG22  ILE   6          HG22      ILE   6  56.175 -12.578  83.627
   60   HG23  ILE   6          HG23      ILE   6  57.305 -13.928  83.624
   61   HD11  ILE   6          HD11      ILE   6  56.386  -9.298  85.229
   62   HD12  ILE   6          HD12      ILE   6  55.549 -10.684  85.919
   63   HD13  ILE   6          HD13      ILE   6  55.943 -10.657  84.201
   64    H    LEU   7           HN       LEU   7  55.120 -14.925  85.089
   65    HA   LEU   7           HA       LEU   7  56.524 -17.232  86.226
   66    HB2  LEU   7           HB2      LEU   7  54.087 -16.926  84.499
   67    HB3  LEU   7           HB1      LEU   7  54.761 -18.486  84.872
   68    HG   LEU   7           HG       LEU   7  54.529 -17.279  87.399
   69   HD11  LEU   7          HD11      LEU   7  52.376 -16.238  85.602
   70   HD12  LEU   7          HD12      LEU   7  53.108 -15.517  87.010
   71   HD13  LEU   7          HD13      LEU   7  51.897 -16.774  87.205
   72   HD21  LEU   7          HD21      LEU   7  52.428 -18.993  86.079
   73   HD22  LEU   7          HD22      LEU   7  52.805 -18.902  87.795
   74   HD23  LEU   7          HD23      LEU   7  53.961 -19.618  86.678
   75    H    ASN   8           HN       ASN   8  58.279 -17.923  85.200
   76    HA   ASN   8           HA       ASN   8  58.233 -18.197  82.267
   77    HB2  ASN   8           HB2      ASN   8  59.597 -16.230  82.775
   78    HB3  ASN   8           HB1      ASN   8  60.527 -17.160  83.947
   79   HD21  ASN   8          HD21      ASN   8  62.559 -17.096  82.820
   80   HD22  ASN   8          HD22      ASN   8  62.788 -17.839  81.311
   81    H    GLY   9           HN       GLY   9  57.695 -20.406  82.672
   82    HA2  GLY   9           HA2      GLY   9  59.943 -22.006  83.783
   83    HA3  GLY   9           HA1      GLY   9  58.268 -22.377  84.164
   84    H    LYS  10           HN       LYS  10  58.674 -24.496  83.298
   85    HA   LYS  10           HA       LYS  10  59.448 -24.887  80.611
   86    HB2  LYS  10           HB2      LYS  10  57.660 -26.829  82.080
   87    HB3  LYS  10           HB1      LYS  10  58.951 -27.164  80.924
   88    HG2  LYS  10           HG2      LYS  10  60.384 -25.854  82.858
   89    HG3  LYS  10           HG1      LYS  10  59.132 -26.591  83.854
   90    HD2  LYS  10           HD2      LYS  10  59.695 -28.802  82.961
   91    HD3  LYS  10           HD1      LYS  10  60.902 -28.080  81.895
   92    HE2  LYS  10           HE2      LYS  10  62.236 -27.357  83.765
   93    HE3  LYS  10           HE1      LYS  10  60.967 -27.795  84.909
   94    HZ1  LYS  10           HZ1      LYS  10  61.434 -30.073  83.462
   95    HZ2  LYS  10           HZ2      LYS  10  61.954 -29.760  85.049
   96    HZ3  LYS  10           HZ3      LYS  10  62.980 -29.433  83.735
   97    H    THR  11           HN       THR  11  56.097 -24.928  82.056
   98    HA   THR  11           HA       THR  11  55.224 -23.713  79.584
   99    HB   THR  11           HB       THR  11  53.193 -25.486  80.711
  100    HG1  THR  11           HG1      THR  11  54.708 -26.978  81.112
  101   HG21  THR  11          HG21      THR  11  54.588 -25.177  78.067
  102   HG22  THR  11          HG22      THR  11  53.170 -24.269  78.597
  103   HG23  THR  11          HG23      THR  11  53.072 -26.000  78.330
  104    H    LEU  12           HN       LEU  12  55.519 -23.426  82.872
  105    HA   LEU  12           HA       LEU  12  52.900 -22.193  83.111
  106    HB2  LEU  12           HB2      LEU  12  54.908 -23.090  84.955
  107    HB3  LEU  12           HB1      LEU  12  54.586 -21.397  85.298
  108    HG   LEU  12           HG       LEU  12  52.671 -23.661  85.242
  109   HD11  LEU  12          HD11      LEU  12  52.122 -22.803  87.531
  110   HD12  LEU  12          HD12      LEU  12  53.518 -21.749  87.357
  111   HD13  LEU  12          HD13      LEU  12  53.728 -23.498  87.331
  112   HD21  LEU  12          HD21      LEU  12  51.116 -22.175  84.486
  113   HD22  LEU  12          HD22      LEU  12  52.152 -20.835  84.758
  114   HD23  LEU  12          HD23      LEU  12  51.173 -21.482  86.063
  115    H    LYS  13           HN       LYS  13  52.545 -20.290  82.094
  116    HA   LYS  13           HA       LYS  13  54.483 -18.111  82.574
  117    HB2  LYS  13           HB2      LYS  13  53.494 -18.923  79.839
  118    HB3  LYS  13           HB1      LYS  13  54.232 -17.364  80.177
  119    HG2  LYS  13           HG2      LYS  13  56.215 -18.357  79.713
  120    HG3  LYS  13           HG1      LYS  13  56.075 -19.121  81.288
  121    HD2  LYS  13           HD2      LYS  13  54.635 -20.910  79.931
  122    HD3  LYS  13           HD1      LYS  13  55.544 -20.269  78.560
  123    HE2  LYS  13           HE2      LYS  13  56.864 -22.059  79.369
  124    HE3  LYS  13           HE1      LYS  13  57.636 -20.617  80.031
  125    HZ1  LYS  13           HZ1      LYS  13  57.063 -21.172  82.106
  126    HZ2  LYS  13           HZ2      LYS  13  56.819 -22.734  81.489
  127    HZ3  LYS  13           HZ3      LYS  13  55.510 -21.668  81.658
  128    H    GLY  14           HN       GLY  14  53.598 -16.261  83.033
  129    HA2  GLY  14           HA2      GLY  14  51.428 -14.932  81.945
  130    HA3  GLY  14           HA1      GLY  14  50.820 -15.818  83.341
  131    H    GLU  15           HN       GLU  15  50.446 -13.746  84.548
  132    HA   GLU  15           HA       GLU  15  53.041 -12.776  85.659
  133    HB2  GLU  15           HB2      GLU  15  50.599 -11.032  85.624
  134    HB3  GLU  15           HB1      GLU  15  52.263 -10.596  85.953
  135    HG2  GLU  15           HG2      GLU  15  51.394 -11.667  83.282
  136    HG3  GLU  15           HG1      GLU  15  51.344  -9.954  83.672
  137    H    THR  16           HN       THR  16  52.890 -11.981  87.887
  138    HA   THR  16           HA       THR  16  50.588 -12.884  89.452
  139    HB   THR  16           HB       THR  16  52.745 -13.803  90.990
  140    HG1  THR  16           HG1      THR  16  53.242 -13.993  88.296
  141   HG21  THR  16          HG21      THR  16  50.894 -15.349  89.182
  142   HG22  THR  16          HG22      THR  16  50.554 -14.849  90.839
  143   HG23  THR  16          HG23      THR  16  51.827 -16.025  90.517
  144    H    THR  17           HN       THR  17  50.438 -11.871  91.514
  145    HA   THR  17           HA       THR  17  52.493  -9.873  92.176
  146    HB   THR  17           HB       THR  17  49.633  -8.956  92.046
  147    HG1  THR  17           HG1      THR  17  49.768  -9.276  89.979
  148   HG21  THR  17          HG21      THR  17  51.582  -7.677  93.168
  149   HG22  THR  17          HG22      THR  17  50.589  -6.800  92.020
  150   HG23  THR  17          HG23      THR  17  52.166  -7.405  91.528
  151    H    THR  18           HN       THR  18  52.175  -8.849  94.277
  152    HA   THR  18           HA       THR  18  50.223  -9.957  96.088
  153    HB   THR  18           HB       THR  18  52.187 -11.611  95.988
  154    HG1  THR  18           HG1      THR  18  50.688 -10.745  97.932
  155   HG21  THR  18          HG21      THR  18  53.544  -9.554  97.720
  156   HG22  THR  18          HG22      THR  18  53.859  -9.644  95.990
  157   HG23  THR  18          HG23      THR  18  54.222 -11.024  97.027
  158    H    GLU  19           HN       GLU  19  50.099  -8.762  98.040
  159    HA   GLU  19           HA       GLU  19  51.355  -6.076  97.949
  160    HB2  GLU  19           HB2      GLU  19  48.869  -6.192  97.907
  161    HB3  GLU  19           HB1      GLU  19  48.899  -7.085  99.423
  162    HG2  GLU  19           HG2      GLU  19  48.463  -4.852 100.064
  163    HG3  GLU  19           HG1      GLU  19  50.179  -5.055 100.390
  164    H    ALA  20           HN       ALA  20  53.053  -5.789  99.352
  165    HA   ALA  20           HA       ALA  20  52.822  -6.835 102.056
  166    HB1  ALA  20           HB1      ALA  20  54.136  -8.388 100.115
  167    HB2  ALA  20           HB2      ALA  20  54.242  -8.591 101.858
  168    HB3  ALA  20           HB3      ALA  20  55.445  -7.619 101.014
  169    H    VAL  21           HN       VAL  21  54.604  -6.149 103.423
  170    HA   VAL  21           HA       VAL  21  55.362  -3.413 102.823
  171    HB   VAL  21           HB       VAL  21  54.670  -3.567 105.047
  172   HG11  VAL  21          HG11      VAL  21  54.183  -5.884 105.112
  173   HG12  VAL  21          HG12      VAL  21  55.305  -5.600 106.438
  174   HG13  VAL  21          HG13      VAL  21  55.882  -6.325 104.939
  175   HG21  VAL  21          HG21      VAL  21  56.573  -3.362 106.476
  176   HG22  VAL  21          HG22      VAL  21  57.176  -2.865 104.898
  177   HG23  VAL  21          HG23      VAL  21  57.525  -4.478 105.506
  178    H    ASP  22           HN       ASP  22  56.736  -6.596 103.384
  179    HA   ASP  22           HA       ASP  22  59.413  -5.489 102.719
  180    HB2  ASP  22           HB2      ASP  22  59.130  -6.767 104.863
  181    HB3  ASP  22           HB1      ASP  22  58.831  -8.193 103.879
  182    H    ALA  23           HN       ALA  23  60.694  -6.409 101.246
  183    HA   ALA  23           HA       ALA  23  59.419  -7.569  98.958
  184    HB1  ALA  23           HB1      ALA  23  61.260  -6.354  98.280
  185    HB2  ALA  23           HB2      ALA  23  62.051  -7.919  98.462
  186    HB3  ALA  23           HB3      ALA  23  62.163  -6.719  99.746
  187    H    ALA  24           HN       ALA  24  61.685  -8.762 101.437
  188    HA   ALA  24           HA       ALA  24  61.955 -11.385 100.451
  189    HB1  ALA  24           HB1      ALA  24  63.350 -10.243 102.274
  190    HB2  ALA  24           HB2      ALA  24  62.939 -11.935 102.547
  191    HB3  ALA  24           HB3      ALA  24  62.048 -10.666 103.387
  192    H    THR  25           HN       THR  25  59.444 -10.023 102.766
  193    HA   THR  25           HA       THR  25  58.259 -12.542 103.343
  194    HB   THR  25           HB       THR  25  57.953 -10.200 104.536
  195    HG1  THR  25           HG1      THR  25  55.559 -11.475 104.552
  196   HG21  THR  25          HG21      THR  25  56.162  -8.846 103.902
  197   HG22  THR  25          HG22      THR  25  55.310 -10.181 103.126
  198   HG23  THR  25          HG23      THR  25  56.664  -9.407 102.305
  199    H    ALA  26           HN       ALA  26  57.925 -10.293 100.677
  200    HA   ALA  26           HA       ALA  26  55.451 -11.283  99.676
  201    HB1  ALA  26           HB1      ALA  26  57.674  -9.617  98.515
  202    HB2  ALA  26           HB2      ALA  26  56.014  -9.149  98.880
  203    HB3  ALA  26           HB3      ALA  26  56.354 -10.181  97.492
  204    H    GLU  27           HN       GLU  27  58.785 -12.123  99.211
  205    HA   GLU  27           HA       GLU  27  58.448 -13.879  97.012
  206    HB2  GLU  27           HB2      GLU  27  60.719 -13.982  97.081
  207    HB3  GLU  27           HB1      GLU  27  60.607 -12.789  98.369
  208    HG2  GLU  27           HG2      GLU  27  60.476 -14.661 100.024
  209    HG3  GLU  27           HG1      GLU  27  60.735 -15.792  98.711
  210    H    LYS  28           HN       LYS  28  58.129 -14.283 100.472
  211    HA   LYS  28           HA       LYS  28  58.317 -17.060 100.699
  212    HB2  LYS  28           HB2      LYS  28  56.444 -15.120 102.089
  213    HB3  LYS  28           HB1      LYS  28  56.660 -16.801 102.574
  214    HG2  LYS  28           HG2      LYS  28  59.082 -16.366 102.849
  215    HG3  LYS  28           HG1      LYS  28  58.802 -14.664 102.497
  216    HD2  LYS  28           HD2      LYS  28  57.206 -14.599 104.447
  217    HD3  LYS  28           HD1      LYS  28  57.670 -16.259 104.825
  218    HE2  LYS  28           HE2      LYS  28  59.939 -15.630 105.296
  219    HE3  LYS  28           HE1      LYS  28  59.731 -14.045 104.565
  220    HZ1  LYS  28           HZ1      LYS  28  58.106 -13.508 106.465
  221    HZ2  LYS  28           HZ2      LYS  28  59.707 -13.735 106.985
  222    HZ3  LYS  28           HZ3      LYS  28  58.561 -14.967 107.208
  223    H    VAL  29           HN       VAL  29  55.613 -15.002  99.706
  224    HA   VAL  29           HA       VAL  29  53.771 -17.157  99.376
  225    HB   VAL  29           HB       VAL  29  53.682 -14.464  98.007
  226   HG11  VAL  29          HG11      VAL  29  52.033 -16.066  97.201
  227   HG12  VAL  29          HG12      VAL  29  51.219 -14.875  98.215
  228   HG13  VAL  29          HG13      VAL  29  51.578 -16.479  98.854
  229   HG21  VAL  29          HG21      VAL  29  52.882 -15.287 100.813
  230   HG22  VAL  29          HG22      VAL  29  52.303 -13.815 100.034
  231   HG23  VAL  29          HG23      VAL  29  54.025 -14.025 100.354
  232    H    PHE  30           HN       PHE  30  55.648 -15.206  97.050
  233    HA   PHE  30           HA       PHE  30  54.885 -16.578  94.736
  234    HB2  PHE  30           HB2      PHE  30  57.406 -15.045  95.305
  235    HB3  PHE  30           HB1      PHE  30  56.923 -15.598  93.714
  236    HD1  PHE  30           HD2      PHE  30  54.108 -15.007  93.418
  237    HD2  PHE  30           HD1      PHE  30  57.116 -12.743  95.507
  238    HE1  PHE  30           HE2      PHE  30  52.772 -12.953  93.139
  239    HE2  PHE  30           HE1      PHE  30  55.778 -10.695  95.195
  240    HZ   PHE  30           HZ       PHE  30  53.605 -10.799  94.009
  241    H    LYS  31           HN       LYS  31  57.774 -17.103  96.801
  242    HA   LYS  31           HA       LYS  31  58.764 -19.136  95.039
  243    HB2  LYS  31           HB2      LYS  31  59.548 -17.972  97.647
  244    HB3  LYS  31           HB1      LYS  31  60.145 -19.578  97.319
  245    HG2  LYS  31           HG2      LYS  31  61.347 -18.879  95.410
  246    HG3  LYS  31           HG1      LYS  31  60.393 -17.422  95.236
  247    HD2  LYS  31           HD2      LYS  31  61.642 -16.232  96.725
  248    HD3  LYS  31           HD1      LYS  31  61.819 -17.598  97.812
  249    HE2  LYS  31           HE2      LYS  31  63.399 -18.159  95.486
  250    HE3  LYS  31           HE1      LYS  31  63.764 -16.523  96.021
  251    HZ1  LYS  31           HZ1      LYS  31  63.481 -18.556  98.087
  252    HZ2  LYS  31           HZ2      LYS  31  64.533 -17.225  97.998
  253    HZ3  LYS  31           HZ3      LYS  31  64.868 -18.636  97.114
  254    H    GLN  32           HN       GLN  32  56.780 -19.115  97.940
  255    HA   GLN  32           HA       GLN  32  56.739 -21.979  98.223
  256    HB2  GLN  32           HB2      GLN  32  56.261 -20.372 100.077
  257    HB3  GLN  32           HB1      GLN  32  54.779 -19.909  99.240
  258    HG2  GLN  32           HG2      GLN  32  54.266 -22.492  99.278
  259    HG3  GLN  32           HG1      GLN  32  55.474 -22.530 100.559
  260   HE21  GLN  32          HE21      GLN  32  54.583 -22.296 102.650
  261   HE22  GLN  32          HE22      GLN  32  53.162 -21.439 102.999
  262    H    TYR  33           HN       TYR  33  54.901 -19.505  96.579
  263    HA   TYR  33           HA       TYR  33  52.671 -21.074  95.810
  264    HB2  TYR  33           HB2      TYR  33  52.441 -18.717  95.791
  265    HB3  TYR  33           HB1      TYR  33  53.920 -18.524  94.857
  266    HD1  TYR  33           HD1      TYR  33  50.412 -19.644  94.730
  267    HD2  TYR  33           HD2      TYR  33  53.960 -18.757  92.476
  268    HE1  TYR  33           HE1      TYR  33  49.097 -19.718  92.631
  269    HE2  TYR  33           HE2      TYR  33  52.643 -18.832  90.376
  270    HH   TYR  33           HH       TYR  33  49.458 -18.562  90.198
  271    H    ALA  34           HN       ALA  34  55.795 -20.326  94.344
  272    HA   ALA  34           HA       ALA  34  55.329 -21.318  91.772
  273    HB1  ALA  34           HB1      ALA  34  57.409 -20.078  92.880
  274    HB2  ALA  34           HB2      ALA  34  57.608 -21.074  91.443
  275    HB3  ALA  34           HB3      ALA  34  58.019 -21.725  93.029
  276    H    ASN  35           HN       ASN  35  56.238 -23.054  94.805
  277    HA   ASN  35           HA       ASN  35  56.763 -25.541  93.584
  278    HB2  ASN  35           HB2      ASN  35  57.105 -24.606  96.066
  279    HB3  ASN  35           HB1      ASN  35  55.556 -25.406  96.326
  280   HD21  ASN  35          HD21      ASN  35  58.523 -26.342  94.366
  281   HD22  ASN  35          HD22      ASN  35  58.645 -27.883  95.066
  282    H    ASP  36           HN       ASP  36  53.826 -24.070  94.961
  283    HA   ASP  36           HA       ASP  36  52.097 -26.276  94.501
  284    HB2  ASP  36           HB2      ASP  36  51.151 -23.416  94.507
  285    HB3  ASP  36           HB1      ASP  36  50.378 -24.845  95.195
  286    H    ASN  37           HN       ASN  37  53.421 -23.819  92.476
  287    HA   ASN  37           HA       ASN  37  51.410 -24.182  90.392
  288    HB2  ASN  37           HB2      ASN  37  53.244 -22.130  91.234
  289    HB3  ASN  37           HB1      ASN  37  53.553 -22.493  89.554
  290   HD21  ASN  37          HD21      ASN  37  52.619 -20.456  88.827
  291   HD22  ASN  37          HD22      ASN  37  50.948 -20.171  88.907
  292    H    GLY  38           HN       GLY  38  54.675 -25.281  91.142
  293    HA2  GLY  38           HA2      GLY  38  55.481 -27.293  90.105
  294    HA3  GLY  38           HA1      GLY  38  54.633 -26.852  88.633
  295    H    VAL  39           HN       VAL  39  55.641 -24.065  88.621
  296    HA   VAL  39           HA       VAL  39  58.177 -24.633  87.339
  297    HB   VAL  39           HB       VAL  39  56.812 -23.061  86.199
  298   HG11  VAL  39          HG11      VAL  39  55.838 -21.116  87.170
  299   HG12  VAL  39          HG12      VAL  39  56.786 -21.290  88.636
  300   HG13  VAL  39          HG13      VAL  39  55.502 -22.424  88.286
  301   HG21  VAL  39          HG21      VAL  39  58.194 -21.071  86.074
  302   HG22  VAL  39          HG22      VAL  39  59.230 -22.470  86.298
  303   HG23  VAL  39          HG23      VAL  39  58.891 -21.407  87.652
  304    H    ASP  40           HN       ASP  40  59.899 -24.937  88.543
  305    HA   ASP  40           HA       ASP  40  60.528 -22.985  90.694
  306    HB2  ASP  40           HB2      ASP  40  59.853 -25.376  91.431
  307    HB3  ASP  40           HB1      ASP  40  61.394 -25.879  90.743
  308    H    GLY  41           HN       GLY  41  62.204 -21.736  89.817
  309    HA2  GLY  41           HA2      GLY  41  64.510 -23.229  88.724
  310    HA3  GLY  41           HA1      GLY  41  63.782 -21.971  87.746
  311    H    GLU  42           HN       GLU  42  65.802 -20.741  87.764
  312    HA   GLU  42           HA       GLU  42  66.945 -19.933  90.237
  313    HB2  GLU  42           HB2      GLU  42  67.462 -18.433  87.706
  314    HB3  GLU  42           HB1      GLU  42  68.588 -18.918  88.966
  315    HG2  GLU  42           HG2      GLU  42  67.345 -20.695  86.849
  316    HG3  GLU  42           HG1      GLU  42  69.047 -20.288  87.032
  317    H    TRP  43           HN       TRP  43  66.872 -17.823  91.120
  318    HA   TRP  43           HA       TRP  43  64.456 -16.279  90.357
  319    HB2  TRP  43           HB2      TRP  43  65.620 -16.935  93.052
  320    HB3  TRP  43           HB1      TRP  43  64.339 -15.750  92.801
  321    HD1  TRP  43           HD1      TRP  43  64.971 -19.567  92.478
  322    HE1  TRP  43           HE1      TRP  43  62.664 -20.724  92.455
  323    HE3  TRP  43           HE3      TRP  43  62.005 -15.478  92.428
  324    HZ2  TRP  43           HZ2      TRP  43  59.889 -19.969  92.456
  325    HZ3  TRP  43           HZ3      TRP  43  59.564 -15.692  92.439
  326    HH2  TRP  43           HH2      TRP  43  58.488 -17.922  92.454
  327    H    THR  44           HN       THR  44  64.453 -14.227  90.464
  328    HA   THR  44           HA       THR  44  66.727 -12.717  91.465
  329    HB   THR  44           HB       THR  44  67.065 -12.757  89.099
  330    HG1  THR  44           HG1      THR  44  66.363 -10.574  90.435
  331   HG21  THR  44          HG21      THR  44  64.157 -11.984  88.928
  332   HG22  THR  44          HG22      THR  44  64.842 -13.540  88.461
  333   HG23  THR  44          HG23      THR  44  65.253 -12.090  87.551
  334    H    TYR  45           HN       TYR  45  66.104 -10.463  92.163
  335    HA   TYR  45           HA       TYR  45  63.174 -10.190  92.213
  336    HB2  TYR  45           HB2      TYR  45  63.517 -11.019  94.390
  337    HB3  TYR  45           HB1      TYR  45  64.981 -10.062  94.608
  338    HD1  TYR  45           HD2      TYR  45  61.573  -9.129  93.269
  339    HD2  TYR  45           HD1      TYR  45  64.580  -8.446  96.261
  340    HE1  TYR  45           HE2      TYR  45  60.304  -7.199  94.091
  341    HE2  TYR  45           HE1      TYR  45  63.298  -6.496  97.081
  342    HH   TYR  45           HH       TYR  45  60.713  -5.127  95.325
  343    H    ASP  46           HN       ASP  46  62.611  -8.350  91.353
  344    HA   ASP  46           HA       ASP  46  64.659  -6.298  91.293
  345    HB2  ASP  46           HB2      ASP  46  63.023  -6.699  89.232
  346    HB3  ASP  46           HB1      ASP  46  61.876  -5.815  90.224
  347    H    ASP  47           HN       ASP  47  64.943  -5.148  93.042
  348    HA   ASP  47           HA       ASP  47  62.539  -4.498  94.675
  349    HB2  ASP  47           HB2      ASP  47  64.875  -5.317  95.660
  350    HB3  ASP  47           HB1      ASP  47  65.299  -3.617  95.450
  351    H    ALA  48           HN       ALA  48  64.396  -3.513  92.242
  352    HA   ALA  48           HA       ALA  48  64.514  -0.693  92.658
  353    HB1  ALA  48           HB1      ALA  48  64.830  -1.985  89.975
  354    HB2  ALA  48           HB2      ALA  48  65.943  -2.499  91.243
  355    HB3  ALA  48           HB3      ALA  48  65.863  -0.802  90.775
  356    H    THR  49           HN       THR  49  62.310  -2.969  91.107
  357    HA   THR  49           HA       THR  49  60.358  -0.860  90.451
  358    HB   THR  49           HB       THR  49  59.723  -2.545  88.511
  359    HG1  THR  49           HG1      THR  49  62.076  -3.273  87.869
  360   HG21  THR  49          HG21      THR  49  62.128  -0.734  88.459
  361   HG22  THR  49          HG22      THR  49  60.477  -0.362  87.958
  362   HG23  THR  49          HG23      THR  49  61.455  -1.486  87.013
  363    H    LYS  50           HN       LYS  50  61.046  -3.430  92.421
  364    HA   LYS  50           HA       LYS  50  59.777  -4.941  93.595
  365    HB2  LYS  50           HB2      LYS  50  57.303  -3.500  92.640
  366    HB3  LYS  50           HB1      LYS  50  57.569  -4.339  94.167
  367    HG2  LYS  50           HG2      LYS  50  58.963  -1.773  93.337
  368    HG3  LYS  50           HG1      LYS  50  57.597  -1.870  94.441
  369    HD2  LYS  50           HD2      LYS  50  58.946  -3.348  95.929
  370    HD3  LYS  50           HD1      LYS  50  60.325  -3.122  94.853
  371    HE2  LYS  50           HE2      LYS  50  60.341  -0.740  95.266
  372    HE3  LYS  50           HE1      LYS  50  58.862  -0.857  96.218
  373    HZ1  LYS  50           HZ1      LYS  50  61.564  -1.407  96.979
  374    HZ2  LYS  50           HZ2      LYS  50  60.514  -2.687  97.355
  375    HZ3  LYS  50           HZ3      LYS  50  60.204  -1.127  97.952
  376    H    THR  51           HN       THR  51  60.645  -6.025  91.385
  377    HA   THR  51           HA       THR  51  58.321  -7.555  90.383
  378    HB   THR  51           HB       THR  51  60.404  -6.283  88.577
  379    HG1  THR  51           HG1      THR  51  58.514  -5.082  89.215
  380   HG21  THR  51          HG21      THR  51  58.389  -8.482  88.064
  381   HG22  THR  51          HG22      THR  51  60.125  -8.516  87.759
  382   HG23  THR  51          HG23      THR  51  59.077  -7.503  86.767
  383    H    PHE  52           HN       PHE  52  58.644  -9.739  90.590
  384    HA   PHE  52           HA       PHE  52  61.395 -10.768  90.928
  385    HB2  PHE  52           HB2      PHE  52  58.663 -11.820  91.658
  386    HB3  PHE  52           HB1      PHE  52  60.133 -12.775  91.813
  387    HD1  PHE  52           HD2      PHE  52  58.396  -9.686  92.998
  388    HD2  PHE  52           HD1      PHE  52  61.572 -12.508  93.659
  389    HE1  PHE  52           HE2      PHE  52  58.739  -8.797  95.299
  390    HE2  PHE  52           HE1      PHE  52  61.887 -11.619  95.950
  391    HZ   PHE  52           HZ       PHE  52  60.471  -9.763  96.765
  392    H    THR  53           HN       THR  53  61.966 -12.781  89.749
  393    HA   THR  53           HA       THR  53  60.029 -13.715  87.765
  394    HB   THR  53           HB       THR  53  61.528 -13.505  85.849
  395    HG1  THR  53           HG1      THR  53  63.496 -13.539  86.866
  396   HG21  THR  53          HG21      THR  53  59.969 -11.594  86.599
  397   HG22  THR  53          HG22      THR  53  61.190 -11.212  85.413
  398   HG23  THR  53          HG23      THR  53  61.430 -10.766  87.101
  399    H    VAL  54           HN       VAL  54  60.154 -16.003  87.610
  400    HA   VAL  54           HA       VAL  54  62.671 -17.239  88.596
  401    HB   VAL  54           HB       VAL  54  60.717 -17.728  90.016
  402   HG11  VAL  54          HG11      VAL  54  59.609 -19.201  87.614
  403   HG12  VAL  54          HG12      VAL  54  59.084 -17.582  88.070
  404   HG13  VAL  54          HG13      VAL  54  58.824 -18.936  89.169
  405   HG21  VAL  54          HG21      VAL  54  61.663 -20.148  88.426
  406   HG22  VAL  54          HG22      VAL  54  61.051 -20.159  90.080
  407   HG23  VAL  54          HG23      VAL  54  62.591 -19.381  89.714
  408    H    THR  55           HN       THR  55  63.842 -18.474  87.215
  409    HA   THR  55           HA       THR  55  62.579 -19.410  84.691
  410    HB   THR  55           HB       THR  55  64.271 -17.380  84.666
  411    HG1  THR  55           HG1      THR  55  64.252 -17.851  82.635
  412   HG21  THR  55          HG21      THR  55  65.987 -18.734  85.982
  413   HG22  THR  55          HG22      THR  55  66.591 -17.987  84.523
  414   HG23  THR  55          HG23      THR  55  66.222 -19.698  84.529
  415    H    GLU  56           HN       GLU  56  62.695 -21.628  84.371
  416    HA   GLU  56           HA       GLU  56  64.866 -23.109  85.772
  417    HB2  GLU  56           HB2      GLU  56  63.137 -25.070  85.430
  418    HB3  GLU  56           HB1      GLU  56  62.940 -23.942  86.773
  419    HG2  GLU  56           HG2      GLU  56  61.356 -22.627  85.509
  420    HG3  GLU  56           HG1      GLU  56  61.610 -23.623  84.077
  421    H1   MET   1           HT1      MET   1  69.738 -24.301  69.179
  422    H2   MET   1           HT2      MET   1  69.133 -22.753  69.531
  423    H3   MET   1           HT3      MET   1  68.330 -24.134  70.109
  424    HA   MET   1           HA       MET   1  70.021 -24.647  71.620
  425    HB2  MET   1           HB2      MET   1  72.214 -24.129  71.221
  426    HB3  MET   1           HB1      MET   1  71.675 -23.486  69.677
  427    HG2  MET   1           HG2      MET   1  71.968 -21.897  72.253
  428    HG3  MET   1           HG1      MET   1  73.049 -21.838  70.868
  429    HE1  MET   1           HE1      MET   1  72.963 -20.212  69.184
  430    HE2  MET   1           HE2      MET   1  71.519 -19.763  68.285
  431    HE3  MET   1           HE3      MET   1  72.014 -21.451  68.351
  432    H    GLN   2           HN       GLN   2  70.721 -23.168  73.575
  433    HA   GLN   2           HA       GLN   2  68.718 -20.989  73.901
  434    HB2  GLN   2           HB2      GLN   2  69.623 -23.032  75.958
  435    HB3  GLN   2           HB1      GLN   2  68.530 -21.690  76.271
  436    HG2  GLN   2           HG2      GLN   2  66.839 -22.628  74.844
  437    HG3  GLN   2           HG1      GLN   2  67.953 -23.841  74.217
  438   HE21  GLN   2          HE21      GLN   2  69.104 -24.390  77.052
  439   HE22  GLN   2          HE22      GLN   2  67.894 -25.284  77.838
  440    H    TYR   3           HN       TYR   3  69.344 -19.210  75.142
  441    HA   TYR   3           HA       TYR   3  72.204 -19.106  75.898
  442    HB2  TYR   3           HB2      TYR   3  70.682 -16.573  75.427
  443    HB3  TYR   3           HB1      TYR   3  72.400 -16.916  75.227
  444    HD1  TYR   3           HD2      TYR   3  69.075 -17.965  73.858
  445    HD2  TYR   3           HD1      TYR   3  73.215 -17.146  73.049
  446    HE1  TYR   3           HE2      TYR   3  68.672 -18.296  71.440
  447    HE2  TYR   3           HE1      TYR   3  72.804 -17.466  70.627
  448    HH   TYR   3           HH       TYR   3  69.548 -17.915  69.366
  449    H    LYS   4           HN       LYS   4  72.663 -17.802  77.758
  450    HA   LYS   4           HA       LYS   4  70.388 -17.736  79.690
  451    HB2  LYS   4           HB2      LYS   4  72.118 -19.510  80.062
  452    HB3  LYS   4           HB1      LYS   4  73.324 -18.243  80.242
  453    HG2  LYS   4           HG2      LYS   4  72.072 -17.328  82.173
  454    HG3  LYS   4           HG1      LYS   4  70.873 -18.613  81.997
  455    HD2  LYS   4           HD2      LYS   4  72.602 -20.318  82.373
  456    HD3  LYS   4           HD1      LYS   4  73.838 -19.063  82.484
  457    HE2  LYS   4           HE2      LYS   4  73.262 -19.629  84.735
  458    HE3  LYS   4           HE1      LYS   4  72.486 -18.081  84.400
  459    HZ1  LYS   4           HZ1      LYS   4  71.191 -20.743  84.221
  460    HZ2  LYS   4           HZ2      LYS   4  70.442 -19.255  83.883
  461    HZ3  LYS   4           HZ3      LYS   4  70.959 -19.612  85.463
  462    H    LEU   5           HN       LEU   5  69.924 -15.774  80.538
  463    HA   LEU   5           HA       LEU   5  71.966 -13.637  80.327
  464    HB2  LEU   5           HB2      LEU   5  69.897 -13.110  79.147
  465    HB3  LEU   5           HB1      LEU   5  68.958 -13.480  80.563
  466    HG   LEU   5           HG       LEU   5  69.437 -10.979  79.906
  467   HD11  LEU   5          HD11      LEU   5  69.296 -10.275  82.247
  468   HD12  LEU   5          HD12      LEU   5  69.670 -11.911  82.765
  469   HD13  LEU   5          HD13      LEU   5  68.184 -11.586  81.874
  470   HD21  LEU   5          HD21      LEU   5  71.358  -9.937  80.707
  471   HD22  LEU   5          HD22      LEU   5  71.982 -11.397  79.973
  472   HD23  LEU   5          HD23      LEU   5  71.808 -11.297  81.715
  473    H    ILE   6           HN       ILE   6  72.859 -12.884  82.136
  474    HA   ILE   6           HA       ILE   6  71.885 -13.903  84.730
  475    HB   ILE   6           HB       ILE   6  74.425 -12.363  84.152
  476   HG12  ILE   6          HG12      ILE   6  74.377 -14.410  82.779
  477   HG13  ILE   6          HG11      ILE   6  75.574 -14.541  84.063
  478   HG21  ILE   6          HG21      ILE   6  75.151 -13.394  86.277
  479   HG22  ILE   6          HG22      ILE   6  73.566 -14.145  86.438
  480   HG23  ILE   6          HG23      ILE   6  73.716 -12.390  86.480
  481   HD11  ILE   6          HD11      ILE   6  74.411 -16.621  83.993
  482   HD12  ILE   6          HD12      ILE   6  72.843 -15.826  83.923
  483   HD13  ILE   6          HD13      ILE   6  73.796 -15.773  85.406
  484    H    LEU   7           HN       LEU   7  70.988 -12.604  86.177
  485    HA   LEU   7           HA       LEU   7  70.551  -9.810  85.420
  486    HB2  LEU   7           HB2      LEU   7  69.487 -11.577  87.613
  487    HB3  LEU   7           HB1      LEU   7  69.158  -9.855  87.553
  488    HG   LEU   7           HG       LEU   7  68.538 -10.772  84.940
  489   HD11  LEU   7          HD11      LEU   7  67.518 -12.678  87.037
  490   HD12  LEU   7          HD12      LEU   7  68.534 -13.081  85.674
  491   HD13  LEU   7          HD13      LEU   7  66.874 -12.552  85.415
  492   HD21  LEU   7          HD21      LEU   7  66.748 -10.328  87.309
  493   HD22  LEU   7          HD22      LEU   7  66.235 -10.302  85.628
  494   HD23  LEU   7          HD23      LEU   7  67.353  -9.083  86.234
  495    H    ASN   8           HN       ASN   8  71.992  -8.379  85.993
  496    HA   ASN   8           HA       ASN   8  73.093  -8.407  88.723
  497    HB2  ASN   8           HB2      ASN   8  74.842  -9.260  87.244
  498    HB3  ASN   8           HB1      ASN   8  74.605  -7.898  86.150
  499   HD21  ASN   8          HD21      ASN   8  76.708  -6.945  86.461
  500   HD22  ASN   8          HD22      ASN   8  77.194  -6.284  87.947
  501    H    GLY   9           HN       GLY   9  71.446  -6.826  89.167
  502    HA2  GLY   9           HA2      GLY   9  71.922  -4.192  87.857
  503    HA3  GLY   9           HA1      GLY   9  70.309  -4.770  88.255
  504    H    LYS  10           HN       LYS  10  70.112  -2.770  89.466
  505    HA   LYS  10           HA       LYS  10  71.767  -2.244  91.700
  506    HB2  LYS  10           HB2      LYS  10  68.876  -1.372  91.571
  507    HB3  LYS  10           HB1      LYS  10  70.262  -0.521  92.258
  508    HG2  LYS  10           HG2      LYS  10  71.114  -0.717  89.680
  509    HG3  LYS  10           HG1      LYS  10  69.374  -0.710  89.402
  510    HD2  LYS  10           HD2      LYS  10  69.174   1.391  90.667
  511    HD3  LYS  10           HD1      LYS  10  70.910   1.372  90.982
  512    HE2  LYS  10           HE2      LYS  10  71.415   1.606  88.638
  513    HE3  LYS  10           HE1      LYS  10  69.726   1.363  88.195
  514    HZ1  LYS  10           HZ1      LYS  10  69.677   3.427  89.984
  515    HZ2  LYS  10           HZ2      LYS  10  69.536   3.559  88.295
  516    HZ3  LYS  10           HZ3      LYS  10  71.051   3.745  89.041
  517    H    THR  11           HN       THR  11  68.517  -3.851  91.499
  518    HA   THR  11           HA       THR  11  69.372  -5.453  93.747
  519    HB   THR  11           HB       THR  11  66.494  -4.984  93.795
  520    HG1  THR  11           HG1      THR  11  66.722  -2.914  93.312
  521   HG21  THR  11          HG21      THR  11  68.760  -4.488  95.691
  522   HG22  THR  11          HG22      THR  11  67.954  -6.043  95.462
  523   HG23  THR  11          HG23      THR  11  67.072  -4.677  96.112
  524    H    LEU  12           HN       LEU  12  68.372  -5.418  90.539
  525    HA   LEU  12           HA       LEU  12  66.866  -7.865  90.928
  526    HB2  LEU  12           HB2      LEU  12  67.341  -6.119  88.659
  527    HB3  LEU  12           HB1      LEU  12  67.534  -7.797  88.186
  528    HG   LEU  12           HG       LEU  12  65.217  -6.518  89.441
  529   HD11  LEU  12          HD11      LEU  12  64.066  -7.518  87.358
  530   HD12  LEU  12          HD12      LEU  12  65.708  -7.613  86.753
  531   HD13  LEU  12          HD13      LEU  12  65.033  -6.060  87.204
  532   HD21  LEU  12          HD21      LEU  12  65.606  -8.960  90.268
  533   HD22  LEU  12          HD22      LEU  12  65.217  -9.377  88.636
  534   HD23  LEU  12          HD23      LEU  12  64.042  -8.591  89.615
  535    H    LYS  13           HN       LYS  13  67.839  -9.776  91.363
  536    HA   LYS  13           HA       LYS  13  70.164 -10.483  89.692
  537    HB2  LYS  13           HB2      LYS  13  70.229 -10.535  92.714
  538    HB3  LYS  13           HB1      LYS  13  71.367 -11.421  91.709
  539    HG2  LYS  13           HG2      LYS  13  72.646  -9.547  91.791
  540    HG3  LYS  13           HG1      LYS  13  71.531  -8.888  90.609
  541    HD2  LYS  13           HD2      LYS  13  70.132  -8.244  92.804
  542    HD3  LYS  13           HD1      LYS  13  71.723  -8.347  93.558
  543    HE2  LYS  13           HE2      LYS  13  71.532  -6.087  92.878
  544    HE3  LYS  13           HE1      LYS  13  72.521  -6.835  91.621
  545    HZ1  LYS  13           HZ1      LYS  13  70.886  -6.657  90.108
  546    HZ2  LYS  13           HZ2      LYS  13  70.319  -5.421  91.124
  547    HZ3  LYS  13           HZ3      LYS  13  69.661  -6.978  91.227
  548    H    GLY  14           HN       GLY  14  70.086 -12.428  88.979
  549    HA2  GLY  14           HA2      GLY  14  69.683 -14.827  90.242
  550    HA3  GLY  14           HA1      GLY  14  68.096 -14.401  89.640
  551    H    GLU  15           HN       GLU  15  68.126 -16.121  87.930
  552    HA   GLU  15           HA       GLU  15  70.016 -15.397  85.731
  553    HB2  GLU  15           HB2      GLU  15  68.950 -18.190  86.020
  554    HB3  GLU  15           HB1      GLU  15  70.293 -17.608  85.056
  555    HG2  GLU  15           HG2      GLU  15  70.301 -17.448  88.061
  556    HG3  GLU  15           HG1      GLU  15  70.879 -18.860  87.192
  557    H    THR  16           HN       THR  16  69.289 -16.011  83.554
  558    HA   THR  16           HA       THR  16  66.398 -16.291  83.162
  559    HB   THR  16           HB       THR  16  67.065 -14.269  81.348
  560    HG1  THR  16           HG1      THR  16  68.436 -14.068  83.747
  561   HG21  THR  16          HG21      THR  16  65.688 -14.060  84.018
  562   HG22  THR  16          HG22      THR  16  64.931 -14.533  82.496
  563   HG23  THR  16          HG23      THR  16  65.560 -12.897  82.698
  564    H    THR  17           HN       THR  17  65.846 -17.104  81.090
  565    HA   THR  17           HA       THR  17  68.066 -17.650  79.238
  566    HB   THR  17           HB       THR  17  66.309 -19.955  80.042
  567    HG1  THR  17           HG1      THR  17  67.187 -19.830  81.932
  568   HG21  THR  17          HG21      THR  17  67.918 -19.908  78.012
  569   HG22  THR  17          HG22      THR  17  68.036 -21.266  79.114
  570   HG23  THR  17          HG23      THR  17  69.206 -19.957  79.210
  571    H    THR  18           HN       THR  18  67.373 -18.515  77.160
  572    HA   THR  18           HA       THR  18  64.562 -18.463  76.513
  573    HB   THR  18           HB       THR  18  65.426 -16.041  76.439
  574    HG1  THR  18           HG1      THR  18  63.793 -17.422  74.912
  575   HG21  THR  18          HG21      THR  18  66.607 -16.939  73.818
  576   HG22  THR  18          HG22      THR  18  67.590 -16.830  75.274
  577   HG23  THR  18          HG23      THR  18  66.801 -15.391  74.630
  578    H    GLU  19           HN       GLU  19  64.134 -19.372  74.474
  579    HA   GLU  19           HA       GLU  19  66.344 -20.968  73.310
  580    HB2  GLU  19           HB2      GLU  19  64.390 -22.213  74.225
  581    HB3  GLU  19           HB1      GLU  19  63.334 -21.325  73.132
  582    HG2  GLU  19           HG2      GLU  19  63.725 -23.363  72.009
  583    HG3  GLU  19           HG1      GLU  19  64.842 -22.252  71.231
  584    H    ALA  20           HN       ALA  20  67.144 -20.185  71.435
  585    HA   ALA  20           HA       ALA  20  65.317 -19.173  69.394
  586    HB1  ALA  20           HB1      ALA  20  66.558 -17.355  71.131
  587    HB2  ALA  20           HB2      ALA  20  65.812 -16.970  69.588
  588    HB3  ALA  20           HB3      ALA  20  67.542 -17.282  69.671
  589    H    VAL  21           HN       VAL  21  66.392 -18.758  67.343
  590    HA   VAL  21           HA       VAL  21  68.386 -20.781  66.767
  591    HB   VAL  21           HB       VAL  21  66.783 -20.647  65.061
  592   HG11  VAL  21          HG11      VAL  21  65.535 -18.744  65.781
  593   HG12  VAL  21          HG12      VAL  21  66.068 -18.373  64.143
  594   HG13  VAL  21          HG13      VAL  21  66.899 -17.658  65.519
  595   HG21  VAL  21          HG21      VAL  21  67.919 -19.888  63.127
  596   HG22  VAL  21          HG22      VAL  21  69.223 -20.231  64.262
  597   HG23  VAL  21          HG23      VAL  21  68.705 -18.567  63.994
  598    H    ASP  22           HN       ASP  22  68.034 -17.279  66.835
  599    HA   ASP  22           HA       ASP  22  70.954 -16.993  66.336
  600    HB2  ASP  22           HB2      ASP  22  69.427 -15.911  64.693
  601    HB3  ASP  22           HB1      ASP  22  68.813 -14.901  65.998
  602    H    ALA  23           HN       ALA  23  72.116 -15.428  67.453
  603    HA   ALA  23           HA       ALA  23  71.473 -15.259  70.246
  604    HB1  ALA  23           HB1      ALA  23  73.769 -15.488  69.787
  605    HB2  ALA  23           HB2      ALA  23  73.599 -13.789  70.224
  606    HB3  ALA  23           HB3      ALA  23  73.732 -14.254  68.529
  607    H    ALA  24           HN       ALA  24  71.747 -12.910  67.587
  608    HA   ALA  24           HA       ALA  24  71.162 -10.597  69.071
  609    HB1  ALA  24           HB1      ALA  24  71.997 -10.729  66.653
  610    HB2  ALA  24           HB2      ALA  24  70.769  -9.508  66.985
  611    HB3  ALA  24           HB3      ALA  24  70.317 -11.019  66.197
  612    H    THR  25           HN       THR  25  68.871 -12.995  67.509
  613    HA   THR  25           HA       THR  25  66.529 -11.461  68.036
  614    HB   THR  25           HB       THR  25  66.954 -13.574  66.450
  615    HG1  THR  25           HG1      THR  25  64.422 -13.588  67.517
  616   HG21  THR  25          HG21      THR  25  66.239 -15.656  67.264
  617   HG22  THR  25          HG22      THR  25  65.382 -14.933  68.625
  618   HG23  THR  25          HG23      THR  25  67.143 -15.036  68.647
  619    H    ALA  26           HN       ALA  26  68.443 -13.711  69.927
  620    HA   ALA  26           HA       ALA  26  66.496 -14.247  71.936
  621    HB1  ALA  26           HB1      ALA  26  69.484 -14.572  71.762
  622    HB2  ALA  26           HB2      ALA  26  68.238 -15.817  71.852
  623    HB3  ALA  26           HB3      ALA  26  68.640 -14.866  73.282
  624    H    GLU  27           HN       GLU  27  68.937 -11.814  71.484
  625    HA   GLU  27           HA       GLU  27  68.887 -10.658  74.059
  626    HB2  GLU  27           HB2      GLU  27  70.518  -9.326  73.181
  627    HB3  GLU  27           HB1      GLU  27  70.347 -10.278  71.711
  628    HG2  GLU  27           HG2      GLU  27  68.557  -8.656  70.964
  629    HG3  GLU  27           HG1      GLU  27  68.951  -7.665  72.362
  630    H    LYS  28           HN       LYS  28  66.844 -10.290  71.244
  631    HA   LYS  28           HA       LYS  28  65.631  -7.844  71.835
  632    HB2  LYS  28           HB2      LYS  28  64.424 -10.318  70.566
  633    HB3  LYS  28           HB1      LYS  28  63.683  -8.716  70.547
  634    HG2  LYS  28           HG2      LYS  28  65.796  -7.852  69.464
  635    HG3  LYS  28           HG1      LYS  28  66.320  -9.527  69.306
  636    HD2  LYS  28           HD2      LYS  28  64.190 -10.009  68.041
  637    HD3  LYS  28           HD1      LYS  28  63.828  -8.284  68.085
  638    HE2  LYS  28           HE2      LYS  28  65.654  -7.735  66.675
  639    HE3  LYS  28           HE1      LYS  28  66.482  -9.252  66.995
  640    HZ1  LYS  28           HZ1      LYS  28  64.659 -10.428  65.676
  641    HZ2  LYS  28           HZ2      LYS  28  65.555  -9.344  64.723
  642    HZ3  LYS  28           HZ3      LYS  28  64.006  -8.911  65.269
  643    H    VAL  29           HN       VAL  29  64.908 -11.110  72.963
  644    HA   VAL  29           HA       VAL  29  62.635 -10.341  74.507
  645    HB   VAL  29           HB       VAL  29  64.405 -12.750  74.951
  646   HG11  VAL  29          HG11      VAL  29  62.752 -12.372  76.700
  647   HG12  VAL  29          HG12      VAL  29  62.224 -13.728  75.702
  648   HG13  VAL  29          HG13      VAL  29  61.484 -12.140  75.496
  649   HG21  VAL  29          HG21      VAL  29  62.179 -12.265  72.952
  650   HG22  VAL  29          HG22      VAL  29  62.743 -13.876  73.398
  651   HG23  VAL  29          HG23      VAL  29  63.841 -12.745  72.607
  652    H    PHE  30           HN       PHE  30  66.005 -11.134  75.372
  653    HA   PHE  30           HA       PHE  30  65.823 -10.596  78.112
  654    HB2  PHE  30           HB2      PHE  30  68.195 -10.444  76.270
  655    HB3  PHE  30           HB1      PHE  30  68.300 -10.358  78.017
  656    HD1  PHE  30           HD2      PHE  30  66.578 -12.407  79.092
  657    HD2  PHE  30           HD1      PHE  30  68.921 -12.510  75.479
  658    HE1  PHE  30           HE2      PHE  30  66.625 -14.873  79.179
  659    HE2  PHE  30           HE1      PHE  30  68.979 -14.977  75.602
  660    HZ   PHE  30           HZ       PHE  30  67.834 -16.156  77.456
  661    H    LYS  31           HN       LYS  31  66.855  -8.418  75.456
  662    HA   LYS  31           HA       LYS  31  67.456  -6.282  77.256
  663    HB2  LYS  31           HB2      LYS  31  67.111  -6.464  74.270
  664    HB3  LYS  31           HB1      LYS  31  67.209  -4.883  75.042
  665    HG2  LYS  31           HG2      LYS  31  69.357  -5.730  76.174
  666    HG3  LYS  31           HG1      LYS  31  69.291  -7.081  75.043
  667    HD2  LYS  31           HD2      LYS  31  69.381  -5.552  73.154
  668    HD3  LYS  31           HD1      LYS  31  69.285  -4.164  74.231
  669    HE2  LYS  31           HE2      LYS  31  71.430  -4.654  75.188
  670    HE3  LYS  31           HE1      LYS  31  71.502  -6.215  74.366
  671    HZ1  LYS  31           HZ1      LYS  31  71.023  -4.162  72.495
  672    HZ2  LYS  31           HZ2      LYS  31  72.331  -5.244  72.579
  673    HZ3  LYS  31           HZ3      LYS  31  72.389  -3.767  73.419
  674    H    GLN  32           HN       GLN  32  64.614  -7.081  75.290
  675    HA   GLN  32           HA       GLN  32  63.119  -4.776  76.042
  676    HB2  GLN  32           HB2      GLN  32  62.677  -6.283  74.068
  677    HB3  GLN  32           HB1      GLN  32  62.063  -7.481  75.209
  678    HG2  GLN  32           HG2      GLN  32  60.520  -5.593  76.069
  679    HG3  GLN  32           HG1      GLN  32  60.952  -4.743  74.586
  680   HE21  GLN  32          HE21      GLN  32  59.461  -5.101  72.887
  681   HE22  GLN  32          HE22      GLN  32  58.567  -6.529  72.683
  682    H    TYR  33           HN       TYR  33  63.625  -7.962  77.360
  683    HA   TYR  33           HA       TYR  33  61.562  -7.967  79.300
  684    HB2  TYR  33           HB2      TYR  33  62.488 -10.037  78.662
  685    HB3  TYR  33           HB1      TYR  33  64.128  -9.434  78.860
  686    HD1  TYR  33           HD1      TYR  33  61.099 -10.547  80.648
  687    HD2  TYR  33           HD2      TYR  33  65.222  -9.384  80.977
  688    HE1  TYR  33           HE1      TYR  33  61.172 -11.443  82.961
  689    HE2  TYR  33           HE2      TYR  33  65.291 -10.273  83.287
  690    HH   TYR  33           HH       TYR  33  62.697 -12.180  84.593
  691    H    ALA  34           HN       ALA  34  64.954  -6.964  79.295
  692    HA   ALA  34           HA       ALA  34  65.294  -6.585  82.046
  693    HB1  ALA  34           HB1      ALA  34  66.962  -6.426  79.990
  694    HB2  ALA  34           HB2      ALA  34  67.297  -5.561  81.486
  695    HB3  ALA  34           HB3      ALA  34  66.601  -4.705  80.110
  696    H    ASN  35           HN       ASN  35  63.876  -4.395  79.543
  697    HA   ASN  35           HA       ASN  35  63.660  -2.136  81.217
  698    HB2  ASN  35           HB2      ASN  35  63.271  -2.539  78.593
  699    HB3  ASN  35           HB1      ASN  35  61.593  -2.669  79.114
  700   HD21  ASN  35          HD21      ASN  35  64.343  -0.462  80.153
  701   HD22  ASN  35          HD22      ASN  35  63.438   0.960  79.948
  702    H    ASP  36           HN       ASP  36  61.499  -4.866  80.490
  703    HA   ASP  36           HA       ASP  36  59.328  -4.028  82.115
  704    HB2  ASP  36           HB2      ASP  36  59.953  -6.920  81.545
  705    HB3  ASP  36           HB1      ASP  36  58.384  -6.116  81.624
  706    H    ASN  37           HN       ASN  37  62.379  -5.524  82.800
  707    HA   ASN  37           HA       ASN  37  61.500  -6.497  85.408
  708    HB2  ASN  37           HB2      ASN  37  63.571  -7.106  83.498
  709    HB3  ASN  37           HB1      ASN  37  64.313  -6.789  85.046
  710   HD21  ASN  37          HD21      ASN  37  64.829  -9.025  85.485
  711   HD22  ASN  37          HD22      ASN  37  63.626 -10.187  85.773
  712    H    GLY  38           HN       GLY  38  63.266  -3.742  84.068
  713    HA2  GLY  38           HA2      GLY  38  63.313  -1.701  85.357
  714    HA3  GLY  38           HA1      GLY  38  63.496  -2.657  86.817
  715    H    VAL  39           HN       VAL  39  65.605  -4.359  85.402
  716    HA   VAL  39           HA       VAL  39  67.847  -2.589  86.041
  717    HB   VAL  39           HB       VAL  39  68.007  -4.709  87.060
  718   HG11  VAL  39          HG11      VAL  39  67.751  -6.806  85.974
  719   HG12  VAL  39          HG12      VAL  39  67.792  -6.067  84.379
  720   HG13  VAL  39          HG13      VAL  39  66.404  -5.828  85.421
  721   HG21  VAL  39          HG21      VAL  39  70.054  -5.672  86.140
  722   HG22  VAL  39          HG22      VAL  39  70.132  -3.920  86.077
  723   HG23  VAL  39          HG23      VAL  39  69.792  -4.834  84.617
  724    H    ASP  40           HN       ASP  40  68.561  -1.317  84.489
  725    HA   ASP  40           HA       ASP  40  69.050  -2.476  81.796
  726    HB2  ASP  40           HB2      ASP  40  67.114  -0.750  82.026
  727    HB3  ASP  40           HB1      ASP  40  68.395   0.438  82.241
  728    H    GLY  41           HN       GLY  41  71.295  -2.690  81.677
  729    HA2  GLY  41           HA2      GLY  41  72.888  -0.295  82.368
  730    HA3  GLY  41           HA1      GLY  41  73.311  -1.830  83.107
  731    H    GLU  42           HN       GLU  42  75.442  -1.745  82.073
  732    HA   GLU  42           HA       GLU  42  75.612  -1.610  79.242
  733    HB2  GLU  42           HB2      GLU  42  77.818  -2.752  80.927
  734    HB3  GLU  42           HB1      GLU  42  77.912  -1.689  79.527
  735    HG2  GLU  42           HG2      GLU  42  77.036  -0.938  82.327
  736    HG3  GLU  42           HG1      GLU  42  78.481  -0.390  81.482
  737    H    TRP  43           HN       TRP  43  75.560  -3.200  77.834
  738    HA   TRP  43           HA       TRP  43  74.977  -5.911  78.798
  739    HB2  TRP  43           HB2      TRP  43  74.472  -4.483  76.191
  740    HB3  TRP  43           HB1      TRP  43  74.177  -6.207  76.424
  741    HD1  TRP  43           HD1      TRP  43  72.904  -2.764  77.589
  742    HE1  TRP  43           HE1      TRP  43  70.629  -3.096  78.753
  743    HE3  TRP  43           HE3      TRP  43  72.689  -7.840  77.613
  744    HZ2  TRP  43           HZ2      TRP  43  68.932  -5.241  79.552
  745    HZ3  TRP  43           HZ3      TRP  43  70.737  -9.005  78.564
  746    HH2  TRP  43           HH2      TRP  43  68.855  -7.723  79.535
  747    H    THR  44           HN       THR  44  75.695  -7.659  77.630
  748    HA   THR  44           HA       THR  44  78.015  -7.489  75.915
  749    HB   THR  44           HB       THR  44  79.141  -7.307  78.057
  750    HG1  THR  44           HG1      THR  44  79.182  -9.704  76.660
  751   HG21  THR  44          HG21      THR  44  77.246  -9.523  78.844
  752   HG22  THR  44          HG22      THR  44  77.566  -7.994  79.661
  753   HG23  THR  44          HG23      THR  44  78.771  -9.278  79.694
  754    H    TYR  45           HN       TYR  45  78.541  -9.712  75.066
  755    HA   TYR  45           HA       TYR  45  76.636 -11.797  75.773
  756    HB2  TYR  45           HB2      TYR  45  75.343 -10.697  74.083
  757    HB3  TYR  45           HB1      TYR  45  76.736 -10.577  73.013
  758    HD1  TYR  45           HD2      TYR  45  75.101 -13.323  75.022
  759    HD2  TYR  45           HD1      TYR  45  76.689 -12.087  71.224
  760    HE1  TYR  45           HE2      TYR  45  74.579 -15.545  74.081
  761    HE2  TYR  45           HE1      TYR  45  76.164 -14.320  70.284
  762    HH   TYR  45           HH       TYR  45  75.269 -16.981  72.259
  763    H    ASP  46           HN       ASP  46  77.739 -13.585  75.957
  764    HA   ASP  46           HA       ASP  46  80.190 -13.918  74.354
  765    HB2  ASP  46           HB2      ASP  46  80.519 -14.314  76.748
  766    HB3  ASP  46           HB1      ASP  46  79.173 -15.465  76.766
  767    H    ASP  47           HN       ASP  47  79.783 -14.914  72.389
  768    HA   ASP  47           HA       ASP  47  77.445 -16.605  72.057
  769    HB2  ASP  47           HB2      ASP  47  78.433 -14.917  70.347
  770    HB3  ASP  47           HB1      ASP  47  79.595 -16.190  69.986
  771    H    ALA  48           HN       ALA  48  80.553 -17.024  73.143
  772    HA   ALA  48           HA       ALA  48  81.079 -19.627  72.011
  773    HB1  ALA  48           HB1      ALA  48  82.397 -18.507  74.475
  774    HB2  ALA  48           HB2      ALA  48  82.777 -17.865  72.878
  775    HB3  ALA  48           HB3      ALA  48  83.078 -19.564  73.238
  776    H    THR  49           HN       THR  49  79.452 -18.345  74.881
  777    HA   THR  49           HA       THR  49  78.850 -21.112  75.765
  778    HB   THR  49           HB       THR  49  78.670 -19.973  78.126
  779    HG1  THR  49           HG1      THR  49  80.565 -18.335  77.994
  780   HG21  THR  49          HG21      THR  49  81.327 -20.508  76.784
  781   HG22  THR  49          HG22      THR  49  80.327 -21.672  77.654
  782   HG23  THR  49          HG23      THR  49  81.104 -20.352  78.527
  783    H    LYS  50           HN       LYS  50  77.546 -18.694  74.163
  784    HA   LYS  50           HA       LYS  50  75.474 -17.686  74.033
  785    HB2  LYS  50           HB2      LYS  50  74.410 -20.200  75.313
  786    HB3  LYS  50           HB1      LYS  50  73.679 -19.215  74.050
  787    HG2  LYS  50           HG2      LYS  50  76.216 -20.850  73.708
  788    HG3  LYS  50           HG1      LYS  50  74.617 -21.352  73.172
  789    HD2  LYS  50           HD2      LYS  50  74.490 -19.288  71.758
  790    HD3  LYS  50           HD1      LYS  50  76.156 -18.924  72.210
  791    HE2  LYS  50           HE2      LYS  50  76.986 -20.881  71.139
  792    HE3  LYS  50           HE1      LYS  50  75.367 -21.559  70.962
  793    HZ1  LYS  50           HZ1      LYS  50  76.746 -19.664  69.309
  794    HZ2  LYS  50           HZ2      LYS  50  75.184 -19.149  69.735
  795    HZ3  LYS  50           HZ3      LYS  50  75.406 -20.639  68.950
  796    H    THR  51           HN       THR  51  76.725 -16.626  76.160
  797    HA   THR  51           HA       THR  51  74.618 -16.566  78.270
  798    HB   THR  51           HB       THR  51  77.626 -16.486  78.668
  799    HG1  THR  51           HG1      THR  51  76.296 -18.512  78.447
  800   HG21  THR  51          HG21      THR  51  75.318 -15.842  80.515
  801   HG22  THR  51          HG22      THR  51  76.769 -14.887  80.207
  802   HG23  THR  51          HG23      THR  51  76.877 -16.378  81.142
  803    H    PHE  52           HN       PHE  52  73.716 -14.578  78.591
  804    HA   PHE  52           HA       PHE  52  75.141 -12.172  77.612
  805    HB2  PHE  52           HB2      PHE  52  72.237 -12.789  78.173
  806    HB3  PHE  52           HB1      PHE  52  72.829 -11.169  77.816
  807    HD1  PHE  52           HD2      PHE  52  72.317 -14.584  76.460
  808    HD2  PHE  52           HD1      PHE  52  73.463 -10.532  75.603
  809    HE1  PHE  52           HE2      PHE  52  72.059 -15.009  74.023
  810    HE2  PHE  52           HE1      PHE  52  73.193 -10.967  73.179
  811    HZ   PHE  52           HZ       PHE  52  72.491 -13.207  72.391
  812    H    THR  53           HN       THR  53  75.065 -10.250  79.068
  813    HA   THR  53           HA       THR  53  74.054 -10.687  81.766
  814    HB   THR  53           HB       THR  53  76.099 -10.256  82.960
  815    HG1  THR  53           HG1      THR  53  77.129  -8.919  81.537
  816   HG21  THR  53          HG21      THR  53  75.670 -12.621  82.265
  817   HG22  THR  53          HG22      THR  53  77.369 -12.268  82.512
  818   HG23  THR  53          HG23      THR  53  76.717 -12.367  80.878
  819    H    VAL  54           HN       VAL  54  73.172  -8.731  82.552
  820    HA   VAL  54           HA       VAL  54  74.080  -6.233  81.200
  821    HB   VAL  54           HB       VAL  54  71.721  -6.840  80.742
  822   HG11  VAL  54          HG11      VAL  54  71.228  -6.384  83.688
  823   HG12  VAL  54          HG12      VAL  54  71.452  -7.992  83.006
  824   HG13  VAL  54          HG13      VAL  54  70.097  -6.992  82.482
  825   HG21  VAL  54          HG21      VAL  54  71.975  -4.416  82.565
  826   HG22  VAL  54          HG22      VAL  54  70.773  -4.651  81.296
  827   HG23  VAL  54          HG23      VAL  54  72.473  -4.442  80.873
  828    H    THR  55           HN       THR  55  75.138  -4.805  82.450
  829    HA   THR  55           HA       THR  55  74.774  -4.892  85.396
  830    HB   THR  55           HB       THR  55  76.976  -5.854  84.377
  831    HG1  THR  55           HG1      THR  55  77.812  -5.436  86.278
  832   HG21  THR  55          HG21      THR  55  77.283  -3.754  82.927
  833   HG22  THR  55          HG22      THR  55  78.697  -4.303  83.823
  834   HG23  THR  55          HG23      THR  55  77.759  -2.930  84.411
  835    H    GLU  56           HN       GLU  56  73.998  -3.005  86.243
  836    HA   GLU  56           HA       GLU  56  74.525  -0.487  84.756
  837    HB2  GLU  56           HB2      GLU  56  72.500   0.260  86.292
  838    HB3  GLU  56           HB1      GLU  56  72.209  -0.638  84.803
  839    HG2  GLU  56           HG2      GLU  56  72.093  -2.732  86.037
  840    HG3  GLU  56           HG1      GLU  56  72.482  -1.900  87.540
  841    H1   MET   1           HT1      MET   1  43.281 -35.847  78.246
  842    H2   MET   1           HT2      MET   1  42.680 -34.277  78.000
  843    H3   MET   1           HT3      MET   1  41.666 -35.490  78.622
  844    HA   MET   1           HA       MET   1  42.778 -35.560  80.662
  845    HB2  MET   1           HB2      MET   1  45.012 -35.102  80.855
  846    HB3  MET   1           HB1      MET   1  45.014 -34.898  79.109
  847    HG2  MET   1           HG2      MET   1  44.594 -32.687  81.153
  848    HG3  MET   1           HG1      MET   1  46.045 -32.960  80.202
  849    HE1  MET   1           HE1      MET   1  46.532 -31.591  78.253
  850    HE2  MET   1           HE2      MET   1  45.487 -31.645  76.838
  851    HE3  MET   1           HE3      MET   1  46.014 -33.147  77.589
  852    H    GLN   2           HN       GLN   2  42.939 -33.610  82.302
  853    HA   GLN   2           HA       GLN   2  41.034 -31.487  81.446
  854    HB2  GLN   2           HB2      GLN   2  41.228 -32.874  84.142
  855    HB3  GLN   2           HB1      GLN   2  40.148 -31.540  83.761
  856    HG2  GLN   2           HG2      GLN   2  38.905 -32.887  82.204
  857    HG3  GLN   2           HG1      GLN   2  40.095 -34.184  82.282
  858   HE21  GLN   2          HE21      GLN   2  40.368 -33.981  85.343
  859   HE22  GLN   2          HE22      GLN   2  38.928 -34.634  85.961
  860    H    TYR   3           HN       TYR   3  41.361 -29.419  82.289
  861    HA   TYR   3           HA       TYR   3  43.890 -29.012  83.774
  862    HB2  TYR   3           HB2      TYR   3  42.677 -26.754  82.229
  863    HB3  TYR   3           HB1      TYR   3  44.365 -27.080  82.627
  864    HD1  TYR   3           HD2      TYR   3  41.525 -28.576  80.699
  865    HD2  TYR   3           HD1      TYR   3  45.753 -27.859  80.917
  866    HE1  TYR   3           HE2      TYR   3  41.812 -29.552  78.447
  867    HE2  TYR   3           HE1      TYR   3  46.034 -28.824  78.654
  868    HH   TYR   3           HH       TYR   3  43.253 -29.709  76.683
  869    H    LYS   4           HN       LYS   4  43.856 -27.243  85.276
  870    HA   LYS   4           HA       LYS   4  41.128 -26.756  86.380
  871    HB2  LYS   4           HB2      LYS   4  42.601 -28.289  87.698
  872    HB3  LYS   4           HB1      LYS   4  43.758 -26.975  87.867
  873    HG2  LYS   4           HG2      LYS   4  42.049 -25.619  89.033
  874    HG3  LYS   4           HG1      LYS   4  40.891 -26.941  88.866
  875    HD2  LYS   4           HD2      LYS   4  42.359 -28.420  90.179
  876    HD3  LYS   4           HD1      LYS   4  43.550 -27.125  90.325
  877    HE2  LYS   4           HE2      LYS   4  42.295 -27.078  92.354
  878    HE3  LYS   4           HE1      LYS   4  41.696 -25.730  91.385
  879    HZ1  LYS   4           HZ1      LYS   4  40.454 -28.418  91.569
  880    HZ2  LYS   4           HZ2      LYS   4  39.884 -27.127  90.623
  881    HZ3  LYS   4           HZ3      LYS   4  39.880 -27.009  92.318
  882    H    LEU   5           HN       LEU   5  40.505 -24.653  86.508
  883    HA   LEU   5           HA       LEU   5  42.602 -22.566  86.322
  884    HB2  LEU   5           HB2      LEU   5  40.966 -22.458  84.517
  885    HB3  LEU   5           HB1      LEU   5  39.654 -22.463  85.664
  886    HG   LEU   5           HG       LEU   5  40.417 -20.217  84.511
  887   HD11  LEU   5          HD11      LEU   5  39.654 -18.915  86.457
  888   HD12  LEU   5          HD12      LEU   5  39.754 -20.360  87.451
  889   HD13  LEU   5          HD13      LEU   5  38.622 -20.294  86.103
  890   HD21  LEU   5          HD21      LEU   5  42.072 -18.921  85.518
  891   HD22  LEU   5          HD22      LEU   5  42.824 -20.497  85.429
  892   HD23  LEU   5          HD23      LEU   5  42.151 -19.933  86.946
  893    H    ILE   6           HN       ILE   6  43.002 -21.335  88.043
  894    HA   ILE   6           HA       ILE   6  41.263 -21.600  90.417
  895    HB   ILE   6           HB       ILE   6  43.958 -20.243  90.226
  896   HG12  ILE   6          HG12      ILE   6  44.168 -22.590  89.496
  897   HG13  ILE   6          HG11      ILE   6  44.933 -22.346  91.062
  898   HG21  ILE   6          HG21      ILE   6  43.950 -20.655  92.671
  899   HG22  ILE   6          HG22      ILE   6  42.331 -21.341  92.528
  900   HG23  ILE   6          HG23      ILE   6  42.605 -19.640  92.153
  901   HD11  ILE   6          HD11      ILE   6  43.696 -24.385  91.196
  902   HD12  ILE   6          HD12      ILE   6  42.269 -23.652  90.476
  903   HD13  ILE   6          HD13      ILE   6  42.774 -23.193  92.101
  904    H    LEU   7           HN       LEU   7  40.072 -19.988  91.101
  905    HA   LEU   7           HA       LEU   7  40.062 -17.510  89.539
  906    HB2  LEU   7           HB2      LEU   7  38.174 -18.749  91.535
  907    HB3  LEU   7           HB1      LEU   7  38.027 -17.058  91.085
  908    HG   LEU   7           HG       LEU   7  38.150 -18.156  88.591
  909   HD11  LEU   7          HD11      LEU   7  36.822 -20.242  90.343
  910   HD12  LEU   7          HD12      LEU   7  38.308 -20.462  89.420
  911   HD13  LEU   7          HD13      LEU   7  36.778 -20.211  88.581
  912   HD21  LEU   7          HD21      LEU   7  35.661 -18.040  90.312
  913   HD22  LEU   7          HD22      LEU   7  35.707 -18.001  88.551
  914   HD23  LEU   7          HD23      LEU   7  36.385 -16.665  89.478
  915    H    ASN   8           HN       ASN   8  41.352 -15.978  90.155
  916    HA   ASN   8           HA       ASN   8  41.480 -15.226  93.001
  917    HB2  ASN   8           HB2      ASN   8  43.563 -16.360  92.511
  918    HB3  ASN   8           HB1      ASN   8  43.756 -15.440  91.020
  919   HD21  ASN   8          HD21      ASN   8  45.644 -14.237  91.567
  920   HD22  ASN   8          HD22      ASN   8  45.705 -13.149  92.869
  921    H    GLY   9           HN       GLY   9  39.880 -13.661  92.451
  922    HA2  GLY   9           HA2      GLY   9  40.865 -11.452  90.719
  923    HA3  GLY   9           HA1      GLY   9  39.179 -11.952  90.762
  924    H    LYS  10           HN       LYS  10  38.673  -9.758  91.318
  925    HA   LYS  10           HA       LYS  10  39.657  -8.614  93.730
  926    HB2  LYS  10           HB2      LYS  10  37.035  -7.814  92.464
  927    HB3  LYS  10           HB1      LYS  10  38.198  -6.809  93.329
  928    HG2  LYS  10           HG2      LYS  10  39.832  -7.526  91.373
  929    HG3  LYS  10           HG1      LYS  10  38.333  -7.871  90.514
  930    HD2  LYS  10           HD2      LYS  10  37.565  -5.551  90.974
  931    HD3  LYS  10           HD1      LYS  10  39.111  -5.217  91.756
  932    HE2  LYS  10           HE2      LYS  10  40.300  -5.700  89.668
  933    HE3  LYS  10           HE1      LYS  10  38.778  -6.109  88.876
  934    HZ1  LYS  10           HZ1      LYS  10  38.328  -3.649  89.956
  935    HZ2  LYS  10           HZ2      LYS  10  38.680  -3.973  88.325
  936    HZ3  LYS  10           HZ3      LYS  10  39.926  -3.541  89.396
  937    H    THR  11           HN       THR  11  36.500 -10.239  92.967
  938    HA   THR  11           HA       THR  11  36.339 -10.948  95.837
  939    HB   THR  11           HB       THR  11  33.828 -10.628  95.612
  940    HG1  THR  11           HG1      THR  11  34.241  -8.747  93.665
  941   HG21  THR  11          HG21      THR  11  35.744  -8.300  95.406
  942   HG22  THR  11          HG22      THR  11  35.180  -9.090  96.878
  943   HG23  THR  11          HG23      THR  11  34.058  -8.144  95.899
  944    H    LEU  12           HN       LEU  12  36.248 -11.976  92.598
  945    HA   LEU  12           HA       LEU  12  34.603 -14.300  93.144
  946    HB2  LEU  12           HB2      LEU  12  35.205 -12.798  90.852
  947    HB3  LEU  12           HB1      LEU  12  36.074 -14.304  90.588
  948    HG   LEU  12           HG       LEU  12  33.113 -13.941  91.099
  949   HD11  LEU  12          HD11      LEU  12  32.878 -14.992  88.914
  950   HD12  LEU  12          HD12      LEU  12  34.614 -15.290  88.841
  951   HD13  LEU  12          HD13      LEU  12  34.000 -13.638  88.773
  952   HD21  LEU  12          HD21      LEU  12  33.266 -15.916  92.242
  953   HD22  LEU  12          HD22      LEU  12  34.874 -16.279  91.620
  954   HD23  LEU  12          HD23      LEU  12  33.451 -16.639  90.651
  955    H    LYS  13           HN       LYS  13  35.490 -15.948  94.265
  956    HA   LYS  13           HA       LYS  13  38.141 -16.927  93.419
  957    HB2  LYS  13           HB2      LYS  13  37.322 -16.299  96.266
  958    HB3  LYS  13           HB1      LYS  13  38.633 -17.404  95.881
  959    HG2  LYS  13           HG2      LYS  13  39.962 -15.541  95.926
  960    HG3  LYS  13           HG1      LYS  13  39.321 -15.225  94.321
  961    HD2  LYS  13           HD2      LYS  13  37.355 -14.058  95.736
  962    HD3  LYS  13           HD1      LYS  13  38.638 -13.917  96.937
  963    HE2  LYS  13           HE2      LYS  13  38.799 -11.926  95.664
  964    HE3  LYS  13           HE1      LYS  13  40.069 -12.962  95.008
  965    HZ1  LYS  13           HZ1      LYS  13  38.967 -13.245  93.078
  966    HZ2  LYS  13           HZ2      LYS  13  38.237 -11.772  93.500
  967    HZ3  LYS  13           HZ3      LYS  13  37.438 -13.237  93.807
  968    H    GLY  14           HN       GLY  14  38.332 -19.050  93.310
  969    HA2  GLY  14           HA2      GLY  14  37.076 -21.029  94.774
  970    HA3  GLY  14           HA1      GLY  14  36.016 -20.702  93.401
  971    H    GLU  15           HN       GLU  15  36.482 -22.854  92.521
  972    HA   GLU  15           HA       GLU  15  39.105 -22.985  91.142
  973    HB2  GLU  15           HB2      GLU  15  37.550 -25.399  92.083
  974    HB3  GLU  15           HB1      GLU  15  39.157 -25.358  91.361
  975    HG2  GLU  15           HG2      GLU  15  38.475 -23.996  93.955
  976    HG3  GLU  15           HG1      GLU  15  39.108 -25.633  93.860
  977    H    THR  16           HN       THR  16  39.018 -24.142  89.097
  978    HA   THR  16           HA       THR  16  36.365 -24.683  87.992
  979    HB   THR  16           HB       THR  16  37.549 -23.181  85.949
  980    HG1  THR  16           HG1      THR  16  38.216 -22.243  88.478
  981   HG21  THR  16          HG21      THR  16  35.529 -22.310  88.008
  982   HG22  THR  16          HG22      THR  16  35.180 -23.208  86.530
  983   HG23  THR  16          HG23      THR  16  35.788 -21.554  86.436
  984    H    THR  17           HN       THR  17  36.418 -25.996  86.141
  985    HA   THR  17           HA       THR  17  39.047 -26.917  85.223
  986    HB   THR  17           HB       THR  17  37.053 -29.003  86.071
  987    HG1  THR  17           HG1      THR  17  37.315 -28.241  88.013
  988   HG21  THR  17          HG21      THR  17  39.190 -29.404  84.667
  989   HG22  THR  17          HG22      THR  17  38.928 -30.425  86.069
  990   HG23  THR  17          HG23      THR  17  40.062 -29.085  86.165
  991    H    THR  18           HN       THR  18  38.943 -28.306  83.346
  992    HA   THR  18           HA       THR  18  36.431 -28.545  81.943
  993    HB   THR  18           HB       THR  18  37.364 -26.196  81.471
  994    HG1  THR  18           HG1      THR  18  36.159 -27.969  79.991
  995   HG21  THR  18          HG21      THR  18  39.223 -27.695  79.637
  996   HG22  THR  18          HG22      THR  18  39.744 -27.170  81.235
  997   HG23  THR  18          HG23      THR  18  39.227 -25.982  80.039
  998    H    GLU  19           HN       GLU  19  36.570 -29.987  80.190
  999    HA   GLU  19           HA       GLU  19  38.954 -31.746  80.200
 1000    HB2  GLU  19           HB2      GLU  19  36.776 -32.777  80.809
 1001    HB3  GLU  19           HB1      GLU  19  36.111 -32.257  79.266
 1002    HG2  GLU  19           HG2      GLU  19  36.721 -34.512  78.905
 1003    HG3  GLU  19           HG1      GLU  19  38.044 -33.605  78.187
 1004    H    ALA  20           HN       ALA  20  40.304 -31.433  78.528
 1005    HA   ALA  20           HA       ALA  20  39.224 -31.139  75.835
 1006    HB1  ALA  20           HB1      ALA  20  39.923 -28.835  77.279
 1007    HB2  ALA  20           HB2      ALA  20  39.686 -28.942  75.542
 1008    HB3  ALA  20           HB3      ALA  20  41.303 -29.109  76.216
 1009    H    VAL  21           HN       VAL  21  40.894 -31.226  74.183
 1010    HA   VAL  21           HA       VAL  21  42.910 -33.209  74.825
 1011    HB   VAL  21           HB       VAL  21  41.878 -33.674  72.771
 1012   HG11  VAL  21          HG11      VAL  21  40.511 -31.731  72.520
 1013   HG12  VAL  21          HG12      VAL  21  41.500 -31.813  71.065
 1014   HG13  VAL  21          HG13      VAL  21  41.911 -30.678  72.344
 1015   HG21  VAL  21          HG21      VAL  21  43.537 -33.412  71.099
 1016   HG22  VAL  21          HG22      VAL  21  44.448 -33.345  72.607
 1017   HG23  VAL  21          HG23      VAL  21  44.069 -31.857  71.740
 1018    H    ASP  22           HN       ASP  22  42.620 -29.871  73.757
 1019    HA   ASP  22           HA       ASP  22  45.559 -29.538  74.046
 1020    HB2  ASP  22           HB2      ASP  22  44.547 -29.052  71.808
 1021    HB3  ASP  22           HB1      ASP  22  43.659 -27.734  72.567
 1022    H    ALA  23           HN       ALA  23  46.379 -27.668  74.958
 1023    HA   ALA  23           HA       ALA  23  44.976 -26.779  77.300
 1024    HB1  ALA  23           HB1      ALA  23  47.254 -26.877  77.699
 1025    HB2  ALA  23           HB2      ALA  23  47.104 -25.173  77.268
 1026    HB3  ALA  23           HB3      ALA  23  47.666 -26.339  76.073
 1027    H    ALA  24           HN       ALA  24  46.058 -25.233  74.284
 1028    HA   ALA  24           HA       ALA  24  45.138 -22.640  74.839
 1029    HB1  ALA  24           HB1      ALA  24  46.619 -23.398  72.886
 1030    HB2  ALA  24           HB2      ALA  24  45.396 -22.183  72.514
 1031    HB3  ALA  24           HB3      ALA  24  45.124 -23.870  72.075
 1032    H    THR  25           HN       THR  25  43.320 -25.505  73.471
 1033    HA   THR  25           HA       THR  25  40.969 -24.010  72.858
 1034    HB   THR  25           HB       THR  25  41.778 -26.447  72.102
 1035    HG1  THR  25           HG1      THR  25  39.039 -26.255  72.390
 1036   HG21  THR  25          HG21      THR  25  40.807 -28.267  73.217
 1037   HG22  THR  25          HG22      THR  25  39.607 -27.253  74.017
 1038   HG23  THR  25          HG23      THR  25  41.278 -27.247  74.578
 1039    H    ALA  26           HN       ALA  26  42.203 -25.571  75.750
 1040    HA   ALA  26           HA       ALA  26  39.751 -25.627  77.203
 1041    HB1  ALA  26           HB1      ALA  26  42.653 -25.869  77.966
 1042    HB2  ALA  26           HB2      ALA  26  41.384 -27.092  78.033
 1043    HB3  ALA  26           HB3      ALA  26  41.405 -25.779  79.209
 1044    H    GLU  27           HN       GLU  27  42.313 -23.309  76.823
 1045    HA   GLU  27           HA       GLU  27  41.577 -21.512  78.877
 1046    HB2  GLU  27           HB2      GLU  27  43.449 -20.399  78.190
 1047    HB3  GLU  27           HB1      GLU  27  43.674 -21.722  77.052
 1048    HG2  GLU  27           HG2      GLU  27  42.255 -20.435  75.400
 1049    HG3  GLU  27           HG1      GLU  27  42.271 -19.085  76.526
 1050    H    LYS  28           HN       LYS  28  40.451 -21.984  75.603
 1051    HA   LYS  28           HA       LYS  28  39.248 -19.510  75.133
 1052    HB2  LYS  28           HB2      LYS  28  38.326 -22.272  74.290
 1053    HB3  LYS  28           HB1      LYS  28  37.708 -20.761  73.624
 1054    HG2  LYS  28           HG2      LYS  28  40.086 -20.164  73.009
 1055    HG3  LYS  28           HG1      LYS  28  40.544 -21.803  73.469
 1056    HD2  LYS  28           HD2      LYS  28  38.851 -22.677  71.816
 1057    HD3  LYS  28           HD1      LYS  28  38.574 -21.018  71.287
 1058    HE2  LYS  28           HE2      LYS  28  40.748 -20.810  70.368
 1059    HE3  LYS  28           HE1      LYS  28  41.385 -22.144  71.319
 1060    HZ1  LYS  28           HZ1      LYS  28  39.968 -23.711  69.906
 1061    HZ2  LYS  28           HZ2      LYS  28  41.153 -22.902  68.997
 1062    HZ3  LYS  28           HZ3      LYS  28  39.535 -22.393  68.924
 1063    H    VAL  29           HN       VAL  29  38.065 -22.358  76.852
 1064    HA   VAL  29           HA       VAL  29  35.489 -21.258  77.409
 1065    HB   VAL  29           HB       VAL  29  36.925 -23.400  78.985
 1066   HG11  VAL  29          HG11      VAL  29  34.847 -22.607  79.983
 1067   HG12  VAL  29          HG12      VAL  29  34.578 -24.207  79.291
 1068   HG13  VAL  29          HG13      VAL  29  34.008 -22.770  78.440
 1069   HG21  VAL  29          HG21      VAL  29  35.415 -23.558  76.360
 1070   HG22  VAL  29          HG22      VAL  29  35.752 -24.964  77.371
 1071   HG23  VAL  29          HG23      VAL  29  37.082 -24.046  76.665
 1072    H    PHE  30           HN       PHE  30  38.424 -21.692  79.392
 1073    HA   PHE  30           HA       PHE  30  37.499 -20.427  81.708
 1074    HB2  PHE  30           HB2      PHE  30  40.306 -20.715  80.666
 1075    HB3  PHE  30           HB1      PHE  30  39.901 -20.176  82.283
 1076    HD1  PHE  30           HD2      PHE  30  37.799 -21.938  83.249
 1077    HD2  PHE  30           HD1      PHE  30  41.157 -22.884  80.721
 1078    HE1  PHE  30           HE2      PHE  30  37.692 -24.294  83.968
 1079    HE2  PHE  30           HE1      PHE  30  41.048 -25.235  81.481
 1080    HZ   PHE  30           HZ       PHE  30  39.315 -25.933  83.112
 1081    H    LYS  31           HN       LYS  31  39.364 -19.027  78.983
 1082    HA   LYS  31           HA       LYS  31  39.519 -16.463  80.241
 1083    HB2  LYS  31           HB2      LYS  31  40.059 -17.468  77.456
 1084    HB3  LYS  31           HB1      LYS  31  39.978 -15.731  77.746
 1085    HG2  LYS  31           HG2      LYS  31  41.669 -16.097  79.633
 1086    HG3  LYS  31           HG1      LYS  31  41.882 -17.727  78.996
 1087    HD2  LYS  31           HD2      LYS  31  42.568 -16.830  76.839
 1088    HD3  LYS  31           HD1      LYS  31  42.234 -15.190  77.382
 1089    HE2  LYS  31           HE2      LYS  31  43.995 -15.283  79.009
 1090    HE3  LYS  31           HE1      LYS  31  44.225 -17.012  78.741
 1091    HZ1  LYS  31           HZ1      LYS  31  44.389 -15.623  76.294
 1092    HZ2  LYS  31           HZ2      LYS  31  45.565 -16.583  77.054
 1093    HZ3  LYS  31           HZ3      LYS  31  45.460 -14.925  77.408
 1094    H    GLN  32           HN       GLN  32  37.346 -17.866  77.807
 1095    HA   GLN  32           HA       GLN  32  35.797 -15.504  77.446
 1096    HB2  GLN  32           HB2      GLN  32  35.886 -17.486  75.897
 1097    HB3  GLN  32           HB1      GLN  32  34.925 -18.374  77.079
 1098    HG2  GLN  32           HG2      GLN  32  33.265 -16.391  76.930
 1099    HG3  GLN  32           HG1      GLN  32  34.139 -15.946  75.465
 1100   HE21  GLN  32          HE21      GLN  32  33.198 -16.807  73.565
 1101   HE22  GLN  32          HE22      GLN  32  32.349 -18.275  73.497
 1102    H    TYR  33           HN       TYR  33  35.745 -18.203  79.662
 1103    HA   TYR  33           HA       TYR  33  33.197 -17.738  80.812
 1104    HB2  TYR  33           HB2      TYR  33  34.176 -19.883  81.059
 1105    HB3  TYR  33           HB1      TYR  33  35.680 -19.190  81.663
 1106    HD1  TYR  33           HD1      TYR  33  32.135 -19.830  82.441
 1107    HD2  TYR  33           HD2      TYR  33  35.943 -18.537  83.951
 1108    HE1  TYR  33           HE1      TYR  33  31.272 -19.999  84.759
 1109    HE2  TYR  33           HE2      TYR  33  35.078 -18.704  86.271
 1110    HH   TYR  33           HH       TYR  33  32.494 -20.391  87.145
 1111    H    ALA  34           HN       ALA  34  36.482 -16.676  81.570
 1112    HA   ALA  34           HA       ALA  34  36.005 -15.562  84.092
 1113    HB1  ALA  34           HB1      ALA  34  38.220 -15.888  82.638
 1114    HB2  ALA  34           HB2      ALA  34  38.140 -14.691  83.924
 1115    HB3  ALA  34           HB3      ALA  34  37.927 -14.195  82.246
 1116    H    ASN  35           HN       ASN  35  35.473 -14.185  80.796
 1117    HA   ASN  35           HA       ASN  35  34.915 -11.556  81.650
 1118    HB2  ASN  35           HB2      ASN  35  35.267 -12.672  79.244
 1119    HB3  ASN  35           HB1      ASN  35  33.507 -12.727  79.276
 1120   HD21  ASN  35          HD21      ASN  35  35.935 -10.204  80.398
 1121   HD22  ASN  35          HD22      ASN  35  35.177  -8.933  79.567
 1122    H    ASP  36           HN       ASP  36  32.878 -14.426  81.103
 1123    HA   ASP  36           HA       ASP  36  30.398 -13.209  81.746
 1124    HB2  ASP  36           HB2      ASP  36  30.965 -16.135  82.175
 1125    HB3  ASP  36           HB1      ASP  36  29.497 -15.363  81.569
 1126    H    ASN  37           HN       ASN  37  33.022 -14.399  83.666
 1127    HA   ASN  37           HA       ASN  37  31.391 -14.664  86.073
 1128    HB2  ASN  37           HB2      ASN  37  33.904 -15.668  85.059
 1129    HB3  ASN  37           HB1      ASN  37  34.164 -14.952  86.634
 1130   HD21  ASN  37          HD21      ASN  37  34.454 -17.013  87.705
 1131   HD22  ASN  37          HD22      ASN  37  33.168 -18.101  87.916
 1132    H    GLY  38           HN       GLY  38  33.588 -12.316  84.623
 1133    HA2  GLY  38           HA2      GLY  38  33.407 -10.009  85.288
 1134    HA3  GLY  38           HA1      GLY  38  33.103 -10.530  86.936
 1135    H    VAL  39           HN       VAL  39  35.411 -12.522  86.745
 1136    HA   VAL  39           HA       VAL  39  37.476 -10.583  87.483
 1137    HB   VAL  39           HB       VAL  39  37.270 -12.313  89.075
 1138   HG11  VAL  39          HG11      VAL  39  37.231 -14.681  88.546
 1139   HG12  VAL  39          HG12      VAL  39  37.476 -14.334  86.836
 1140   HG13  VAL  39          HG13      VAL  39  35.978 -13.865  87.622
 1141   HG21  VAL  39          HG21      VAL  39  39.405 -13.466  89.032
 1142   HG22  VAL  39          HG22      VAL  39  39.634 -11.848  88.382
 1143   HG23  VAL  39          HG23      VAL  39  39.548 -13.227  87.297
 1144    H    ASP  40           HN       ASP  40  38.639  -9.763  85.885
 1145    HA   ASP  40           HA       ASP  40  39.811 -11.598  83.862
 1146    HB2  ASP  40           HB2      ASP  40  37.950  -9.971  83.060
 1147    HB3  ASP  40           HB1      ASP  40  39.154  -8.708  83.290
 1148    H    GLY  41           HN       GLY  41  41.998 -11.737  84.418
 1149    HA2  GLY  41           HA2      GLY  41  43.430  -9.178  84.805
 1150    HA3  GLY  41           HA1      GLY  41  43.596 -10.430  86.024
 1151    H    GLU  42           HN       GLU  42  45.906 -10.586  85.620
 1152    HA   GLU  42           HA       GLU  42  46.866 -11.199  83.017
 1153    HB2  GLU  42           HB2      GLU  42  48.425 -11.789  85.508
 1154    HB3  GLU  42           HB1      GLU  42  48.981 -11.135  83.967
 1155    HG2  GLU  42           HG2      GLU  42  47.387  -9.690  86.103
 1156    HG3  GLU  42           HG1      GLU  42  49.026  -9.330  85.573
 1157    H    TRP  43           HN       TRP  43  47.667 -13.245  82.322
 1158    HA   TRP  43           HA       TRP  43  46.484 -15.554  83.771
 1159    HB2  TRP  43           HB2      TRP  43  46.714 -14.998  80.826
 1160    HB3  TRP  43           HB1      TRP  43  46.218 -16.548  81.501
 1161    HD1  TRP  43           HD1      TRP  43  44.991 -12.885  81.216
 1162    HE1  TRP  43           HE1      TRP  43  42.449 -12.889  81.664
 1163    HE3  TRP  43           HE3      TRP  43  44.383 -17.737  82.530
 1164    HZ2  TRP  43           HZ2      TRP  43  40.417 -14.750  82.456
 1165    HZ3  TRP  43           HZ3      TRP  43  42.164 -18.616  83.109
 1166    HH2  TRP  43           HH2      TRP  43  40.173 -17.141  83.078
 1167    H    THR  44           HN       THR  44  47.499 -17.292  83.944
 1168    HA   THR  44           HA       THR  44  50.073 -17.769  82.669
 1169    HB   THR  44           HB       THR  44  50.827 -17.527  84.840
 1170    HG1  THR  44           HG1      THR  44  50.798 -19.826  84.108
 1171   HG21  THR  44          HG21      THR  44  48.101 -18.484  85.685
 1172   HG22  THR  44          HG22      THR  44  48.694 -16.822  85.761
 1173   HG23  THR  44          HG23      THR  44  49.410 -18.060  86.790
 1174    H    TYR  45           HN       TYR  45  50.532 -20.161  82.209
 1175    HA   TYR  45           HA       TYR  45  48.126 -21.757  82.726
 1176    HB2  TYR  45           HB2      TYR  45  47.647 -21.249  80.478
 1177    HB3  TYR  45           HB1      TYR  45  49.331 -21.461  79.991
 1178    HD1  TYR  45           HD2      TYR  45  47.056 -23.575  82.171
 1179    HD2  TYR  45           HD1      TYR  45  49.520 -23.376  78.655
 1180    HE1  TYR  45           HE2      TYR  45  46.776 -25.994  81.845
 1181    HE2  TYR  45           HE1      TYR  45  49.240 -25.813  78.338
 1182    HH   TYR  45           HH       TYR  45  47.918 -27.842  80.757
 1183    H    ASP  46           HN       ASP  46  48.790 -23.282  83.964
 1184    HA   ASP  46           HA       ASP  46  51.506 -24.220  83.600
 1185    HB2  ASP  46           HB2      ASP  46  50.528 -23.915  85.944
 1186    HB3  ASP  46           HB1      ASP  46  49.475 -25.282  85.565
 1187    H    ASP  47           HN       ASP  47  51.876 -25.576  81.994
 1188    HA   ASP  47           HA       ASP  47  49.741 -27.529  81.314
 1189    HB2  ASP  47           HB2      ASP  47  51.205 -26.100  79.590
 1190    HB3  ASP  47           HB1      ASP  47  52.344 -27.426  79.830
 1191    H    ALA  48           HN       ALA  48  52.476 -27.006  83.040
 1192    HA   ALA  48           HA       ALA  48  53.779 -29.498  82.987
 1193    HB1  ALA  48           HB1      ALA  48  53.848 -27.679  85.367
 1194    HB2  ALA  48           HB2      ALA  48  54.393 -27.022  83.823
 1195    HB3  ALA  48           HB3      ALA  48  55.182 -28.444  84.507
 1196    H    THR  49           HN       THR  49  51.032 -28.191  84.789
 1197    HA   THR  49           HA       THR  49  50.440 -30.820  85.997
 1198    HB   THR  49           HB       THR  49  49.371 -29.447  87.925
 1199    HG1  THR  49           HG1      THR  49  51.117 -27.482  87.864
 1200   HG21  THR  49          HG21      THR  49  52.344 -29.698  87.549
 1201   HG22  THR  49          HG22      THR  49  51.265 -30.722  88.498
 1202   HG23  THR  49          HG23      THR  49  51.643 -29.089  89.048
 1203    H    LYS  50           HN       LYS  50  49.573 -28.613  83.733
 1204    HA   LYS  50           HA       LYS  50  47.612 -28.071  82.669
 1205    HB2  LYS  50           HB2      LYS  50  46.246 -30.233  84.273
 1206    HB3  LYS  50           HB1      LYS  50  45.865 -29.665  82.648
 1207    HG2  LYS  50           HG2      LYS  50  48.396 -31.155  83.419
 1208    HG3  LYS  50           HG1      LYS  50  47.002 -31.870  82.615
 1209    HD2  LYS  50           HD2      LYS  50  47.293 -30.218  80.755
 1210    HD3  LYS  50           HD1      LYS  50  48.775 -29.664  81.534
 1211    HE2  LYS  50           HE2      LYS  50  49.780 -31.852  81.330
 1212    HE3  LYS  50           HE1      LYS  50  48.277 -32.528  80.701
 1213    HZ1  LYS  50           HZ1      LYS  50  50.299 -30.992  79.358
 1214    HZ2  LYS  50           HZ2      LYS  50  48.726 -30.415  79.078
 1215    HZ3  LYS  50           HZ3      LYS  50  49.119 -32.027  78.716
 1216    H    THR  51           HN       THR  51  48.197 -26.356  84.658
 1217    HA   THR  51           HA       THR  51  45.532 -25.867  85.875
 1218    HB   THR  51           HB       THR  51  48.183 -25.722  87.344
 1219    HG1  THR  51           HG1      THR  51  46.955 -27.708  87.225
 1220   HG21  THR  51          HG21      THR  51  45.476 -24.556  88.037
 1221   HG22  THR  51          HG22      THR  51  47.022 -23.710  87.954
 1222   HG23  THR  51          HG23      THR  51  46.720 -24.869  89.249
 1223    H    PHE  52           HN       PHE  52  44.713 -23.873  85.425
 1224    HA   PHE  52           HA       PHE  52  46.512 -21.770  84.382
 1225    HB2  PHE  52           HB2      PHE  52  43.536 -22.259  84.219
 1226    HB3  PHE  52           HB1      PHE  52  44.301 -20.784  83.641
 1227    HD1  PHE  52           HD2      PHE  52  44.108 -24.480  83.179
 1228    HD2  PHE  52           HD1      PHE  52  45.374 -20.716  81.536
 1229    HE1  PHE  52           HE2      PHE  52  44.446 -25.543  80.954
 1230    HE2  PHE  52           HE1      PHE  52  45.692 -21.787  79.323
 1231    HZ   PHE  52           HZ       PHE  52  45.229 -24.201  79.036
 1232    H    THR  53           HN       THR  53  46.138 -19.531  85.218
 1233    HA   THR  53           HA       THR  53  44.320 -19.274  87.477
 1234    HB   THR  53           HB       THR  53  45.866 -18.542  89.132
 1235    HG1  THR  53           HG1      THR  53  47.280 -17.511  87.649
 1236   HG21  THR  53          HG21      THR  53  45.681 -21.007  88.920
 1237   HG22  THR  53          HG22      THR  53  47.240 -20.511  89.553
 1238   HG23  THR  53          HG23      THR  53  47.089 -21.009  87.869
 1239    H    VAL  54           HN       VAL  54  43.350 -17.218  87.409
 1240    HA   VAL  54           HA       VAL  54  44.754 -15.168  85.792
 1241    HB   VAL  54           HB       VAL  54  42.615 -15.936  84.821
 1242   HG11  VAL  54          HG11      VAL  54  41.328 -14.675  87.247
 1243   HG12  VAL  54          HG12      VAL  54  41.577 -16.410  87.089
 1244   HG13  VAL  54          HG13      VAL  54  40.532 -15.561  85.950
 1245   HG21  VAL  54          HG21      VAL  54  42.506 -13.089  85.884
 1246   HG22  VAL  54          HG22      VAL  54  41.707 -13.694  84.433
 1247   HG23  VAL  54          HG23      VAL  54  43.466 -13.598  84.495
 1248    H    THR  55           HN       THR  55  45.417 -13.367  86.804
 1249    HA   THR  55           HA       THR  55  44.235 -12.660  89.434
 1250    HB   THR  55           HB       THR  55  46.624 -13.729  89.354
 1251    HG1  THR  55           HG1      THR  55  46.791 -12.846  91.249
 1252   HG21  THR  55          HG21      THR  55  47.362 -12.079  87.535
 1253   HG22  THR  55          HG22      THR  55  48.444 -12.253  88.910
 1254   HG23  THR  55          HG23      THR  55  47.385 -10.852  88.800
 1255    H    GLU  56           HN       GLU  56  43.314 -10.652  89.487
 1256    HA   GLU  56           HA       GLU  56  44.274  -8.620  87.542
 1257    HB2  GLU  56           HB2      GLU  56  41.912  -7.607  88.198
 1258    HB3  GLU  56           HB1      GLU  56  42.034  -8.890  86.995
 1259    HG2  GLU  56           HG2      GLU  56  41.540 -10.577  88.677
 1260    HG3  GLU  56           HG1      GLU  56  41.515  -9.348  89.941
 1261    H1   MET   1           HT1      MET   1  62.337 -16.635  99.174
 1262    H2   MET   1           HT2      MET   1  63.121 -18.102  99.516
 1263    H3   MET   1           HT3      MET   1  64.021 -16.669  99.360
 1264    HA   MET   1           HA       MET   1  63.292 -15.804 101.348
 1265    HB2  MET   1           HB2      MET   1  61.217 -16.152 102.249
 1266    HB3  MET   1           HB1      MET   1  60.837 -16.870 100.695
 1267    HG2  MET   1           HG2      MET   1  61.726 -18.364 103.188
 1268    HG3  MET   1           HG1      MET   1  60.127 -18.398 102.454
 1269    HE1  MET   1           HE1      MET   1  59.354 -19.960 100.834
 1270    HE2  MET   1           HE2      MET   1  60.272 -20.500  99.440
 1271    HE3  MET   1           HE3      MET   1  59.998 -18.785  99.689
 1272    H    GLN   2           HN       GLN   2  63.433 -16.904 103.658
 1273    HA   GLN   2           HA       GLN   2  65.394 -19.121 103.449
 1274    HB2  GLN   2           HB2      GLN   2  65.350 -16.801 105.407
 1275    HB3  GLN   2           HB1      GLN   2  66.507 -18.125 105.427
 1276    HG2  GLN   2           HG2      GLN   2  67.456 -17.433 103.328
 1277    HG3  GLN   2           HG1      GLN   2  66.156 -16.275 103.053
 1278   HE21  GLN   2          HE21      GLN   2  66.205 -15.258 105.960
 1279   HE22  GLN   2          HE22      GLN   2  67.629 -14.343 106.086
 1280    H    TYR   3           HN       TYR   3  65.337 -20.727 105.005
 1281    HA   TYR   3           HA       TYR   3  63.068 -20.633 106.902
 1282    HB2  TYR   3           HB2      TYR   3  64.288 -23.251 106.103
 1283    HB3  TYR   3           HB1      TYR   3  62.652 -22.889 106.657
 1284    HD1  TYR   3           HD2      TYR   3  65.001 -22.132 103.853
 1285    HD2  TYR   3           HD1      TYR   3  60.935 -22.784 105.067
 1286    HE1  TYR   3           HE2      TYR   3  64.276 -22.030 101.490
 1287    HE2  TYR   3           HE1      TYR   3  60.213 -22.678 102.702
 1288    HH   TYR   3           HH       TYR   3  62.548 -22.529 100.076
 1289    H    LYS   4           HN       LYS   4  63.468 -21.700 108.928
 1290    HA   LYS   4           HA       LYS   4  66.351 -21.600 109.685
 1291    HB2  LYS   4           HB2      LYS   4  64.905 -19.759 110.567
 1292    HB3  LYS   4           HB1      LYS   4  63.926 -20.970 111.387
 1293    HG2  LYS   4           HG2      LYS   4  65.909 -21.699 112.674
 1294    HG3  LYS   4           HG1      LYS   4  66.884 -20.477 111.856
 1295    HD2  LYS   4           HD2      LYS   4  65.443 -18.694 112.760
 1296    HD3  LYS   4           HD1      LYS   4  64.434 -19.902 113.557
 1297    HE2  LYS   4           HE2      LYS   4  65.949 -19.106 115.227
 1298    HE3  LYS   4           HE1      LYS   4  66.545 -20.694 114.738
 1299    HZ1  LYS   4           HZ1      LYS   4  67.516 -18.091 113.698
 1300    HZ2  LYS   4           HZ2      LYS   4  68.088 -19.622 113.234
 1301    HZ3  LYS   4           HZ3      LYS   4  68.327 -19.069 114.822
 1302    H    LEU   5           HN       LEU   5  67.203 -23.461 110.459
 1303    HA   LEU   5           HA       LEU   5  65.338 -25.575 111.374
 1304    HB2  LEU   5           HB2      LEU   5  66.752 -26.245 109.496
 1305    HB3  LEU   5           HB1      LEU   5  68.182 -25.754 110.364
 1306    HG   LEU   5           HG       LEU   5  67.515 -28.303 110.210
 1307   HD11  LEU   5          HD11      LEU   5  68.618 -28.754 112.373
 1308   HD12  LEU   5          HD12      LEU   5  68.516 -27.045 112.762
 1309   HD13  LEU   5          HD13      LEU   5  69.473 -27.578 111.383
 1310   HD21  LEU   5          HD21      LEU   5  66.134 -29.210 111.860
 1311   HD22  LEU   5          HD22      LEU   5  65.222 -27.826 111.299
 1312   HD23  LEU   5          HD23      LEU   5  66.114 -27.736 112.806
 1313    H    ILE   6           HN       ILE   6  65.286 -26.085 113.469
 1314    HA   ILE   6           HA       ILE   6  67.276 -24.863 115.280
 1315    HB   ILE   6           HB       ILE   6  64.736 -26.323 116.028
 1316   HG12  ILE   6          HG12      ILE   6  64.175 -24.441 114.544
 1317   HG13  ILE   6          HG11      ILE   6  63.671 -24.104 116.197
 1318   HG21  ILE   6          HG21      ILE   6  65.018 -25.017 118.118
 1319   HG22  ILE   6          HG22      ILE   6  66.526 -24.362 117.479
 1320   HG23  ILE   6          HG23      ILE   6  66.381 -26.090 117.802
 1321   HD11  ILE   6          HD11      ILE   6  64.695 -22.114 115.371
 1322   HD12  ILE   6          HD12      ILE   6  66.069 -23.002 114.721
 1323   HD13  ILE   6          HD13      ILE   6  65.864 -22.841 116.464
 1324    H    LEU   7           HN       LEU   7  68.705 -26.043 116.305
 1325    HA   LEU   7           HA       LEU   7  68.765 -28.921 115.767
 1326    HB2  LEU   7           HB2      LEU   7  70.761 -26.939 116.850
 1327    HB3  LEU   7           HB1      LEU   7  71.021 -28.667 117.025
 1328    HG   LEU   7           HG       LEU   7  70.469 -28.602 114.363
 1329   HD11  LEU   7          HD11      LEU   7  71.745 -25.924 114.985
 1330   HD12  LEU   7          HD12      LEU   7  70.140 -26.171 114.296
 1331   HD13  LEU   7          HD13      LEU   7  71.575 -26.623 113.375
 1332   HD21  LEU   7          HD21      LEU   7  73.150 -27.895 115.583
 1333   HD22  LEU   7          HD22      LEU   7  72.891 -28.605 113.990
 1334   HD23  LEU   7          HD23      LEU   7  72.496 -29.527 115.440
 1335    H    ASN   8           HN       ASN   8  67.724 -30.166 117.094
 1336    HA   ASN   8           HA       ASN   8  68.037 -29.797 120.001
 1337    HB2  ASN   8           HB2      ASN   8  65.805 -29.029 119.451
 1338    HB3  ASN   8           HB1      ASN   8  65.520 -30.457 118.459
 1339   HD21  ASN   8          HD21      ASN   8  63.846 -31.443 119.698
 1340   HD22  ASN   8          HD22      ASN   8  64.060 -31.953 121.303
 1341    H    GLY   9           HN       GLY   9  69.703 -31.376 119.820
 1342    HA2  GLY   9           HA2      GLY   9  68.740 -34.116 119.187
 1343    HA3  GLY   9           HA1      GLY   9  70.356 -33.558 118.781
 1344    H    LYS  10           HN       LYS  10  71.148 -35.356 120.013
 1345    HA   LYS  10           HA       LYS  10  70.602 -35.550 122.799
 1346    HB2  LYS  10           HB2      LYS  10  73.110 -36.654 121.532
 1347    HB3  LYS  10           HB1      LYS  10  72.155 -37.315 122.861
 1348    HG2  LYS  10           HG2      LYS  10  70.242 -37.435 121.021
 1349    HG3  LYS  10           HG1      LYS  10  71.604 -37.397 119.902
 1350    HD2  LYS  10           HD2      LYS  10  72.597 -39.346 121.077
 1351    HD3  LYS  10           HD1      LYS  10  71.188 -39.402 122.138
 1352    HE2  LYS  10           HE2      LYS  10  69.720 -39.807 120.230
 1353    HE3  LYS  10           HE1      LYS  10  71.076 -39.639 119.116
 1354    HZ1  LYS  10           HZ1      LYS  10  71.924 -41.502 120.909
 1355    HZ2  LYS  10           HZ2      LYS  10  71.324 -41.821 119.352
 1356    HZ3  LYS  10           HZ3      LYS  10  70.287 -41.891 120.697
 1357    H    THR  11           HN       THR  11  73.448 -34.195 120.997
 1358    HA   THR  11           HA       THR  11  73.918 -32.450 123.341
 1359    HB   THR  11           HB       THR  11  76.395 -32.720 122.846
 1360    HG1  THR  11           HG1      THR  11  75.932 -35.213 121.822
 1361   HG21  THR  11          HG21      THR  11  74.721 -35.042 123.816
 1362   HG22  THR  11          HG22      THR  11  75.378 -33.725 124.787
 1363   HG23  THR  11          HG23      THR  11  76.462 -34.912 124.062
 1364    H    LEU  12           HN       LEU  12  73.477 -32.715 119.980
 1365    HA   LEU  12           HA       LEU  12  74.936 -30.286 119.369
 1366    HB2  LEU  12           HB2      LEU  12  74.194 -32.564 117.912
 1367    HB3  LEU  12           HB1      LEU  12  73.147 -31.310 117.259
 1368    HG   LEU  12           HG       LEU  12  76.173 -31.317 117.387
 1369   HD11  LEU  12          HD11      LEU  12  76.013 -31.165 114.962
 1370   HD12  LEU  12          HD12      LEU  12  74.264 -30.986 115.057
 1371   HD13  LEU  12          HD13      LEU  12  75.018 -32.516 115.506
 1372   HD21  LEU  12          HD21      LEU  12  75.963 -29.066 117.741
 1373   HD22  LEU  12          HD22      LEU  12  74.261 -29.039 117.284
 1374   HD23  LEU  12          HD23      LEU  12  75.509 -29.005 116.045
 1375    H    LYS  13           HN       LYS  13  74.045 -28.380 119.943
 1376    HA   LYS  13           HA       LYS  13  71.223 -27.904 119.229
 1377    HB2  LYS  13           HB2      LYS  13  72.464 -27.384 121.940
 1378    HB3  LYS  13           HB1      LYS  13  71.011 -26.560 121.391
 1379    HG2  LYS  13           HG2      LYS  13  69.890 -28.324 122.322
 1380    HG3  LYS  13           HG1      LYS  13  70.341 -29.190 120.861
 1381    HD2  LYS  13           HD2      LYS  13  72.582 -29.659 122.274
 1382    HD3  LYS  13           HD1      LYS  13  71.484 -29.399 123.630
 1383    HE2  LYS  13           HE2      LYS  13  71.351 -31.725 123.209
 1384    HE3  LYS  13           HE1      LYS  13  69.917 -31.065 122.419
 1385    HZ1  LYS  13           HZ1      LYS  13  70.738 -31.484 120.378
 1386    HZ2  LYS  13           HZ2      LYS  13  71.660 -32.652 121.195
 1387    HZ3  LYS  13           HZ3      LYS  13  72.336 -31.142 120.817
 1388    H    GLY  14           HN       GLY  14  70.809 -25.992 118.384
 1389    HA2  GLY  14           HA2      GLY  14  72.040 -23.552 118.800
 1390    HA3  GLY  14           HA1      GLY  14  72.937 -24.325 117.492
 1391    H    GLU  15           HN       GLU  15  72.140 -22.687 115.971
 1392    HA   GLU  15           HA       GLU  15  69.362 -23.210 115.077
 1393    HB2  GLU  15           HB2      GLU  15  70.754 -20.543 114.811
 1394    HB3  GLU  15           HB1      GLU  15  69.080 -20.936 114.431
 1395    HG2  GLU  15           HG2      GLU  15  70.250 -21.184 117.192
 1396    HG3  GLU  15           HG1      GLU  15  69.438 -19.736 116.613
 1397    H    THR  16           HN       THR  16  69.060 -22.894 112.763
 1398    HA   THR  16           HA       THR  16  71.479 -22.679 111.132
 1399    HB   THR  16           HB       THR  16  70.215 -24.887 109.979
 1400    HG1  THR  16           HG1      THR  16  69.927 -24.839 112.740
 1401   HG21  THR  16          HG21      THR  16  72.540 -24.816 111.894
 1402   HG22  THR  16          HG22      THR  16  72.617 -24.555 110.151
 1403   HG23  THR  16          HG23      THR  16  72.166 -26.136 110.787
 1404    H    THR  17           HN       THR  17  71.059 -22.165 108.958
 1405    HA   THR  17           HA       THR  17  68.254 -21.787 108.193
 1406    HB   THR  17           HB       THR  17  70.096 -19.432 107.888
 1407    HG1  THR  17           HG1      THR  17  70.190 -19.414 109.988
 1408   HG21  THR  17          HG21      THR  17  67.753 -19.707 106.820
 1409   HG22  THR  17          HG22      THR  17  68.089 -18.220 107.688
 1410   HG23  THR  17          HG23      THR  17  67.138 -19.484 108.457
 1411    H    THR  18           HN       THR  18  67.966 -21.183 105.950
 1412    HA   THR  18           HA       THR  18  70.223 -21.350 104.161
 1413    HB   THR  18           HB       THR  18  69.516 -23.756 104.729
 1414    HG1  THR  18           HG1      THR  18  70.313 -22.607 102.540
 1415   HG21  THR  18          HG21      THR  18  67.268 -23.179 102.812
 1416   HG22  THR  18          HG22      THR  18  67.025 -23.072 104.552
 1417   HG23  THR  18          HG23      THR  18  67.513 -24.601 103.821
 1418    H    GLU  19           HN       GLU  19  69.673 -20.666 102.050
 1419    HA   GLU  19           HA       GLU  19  67.122 -19.167 101.838
 1420    HB2  GLU  19           HB2      GLU  19  69.240 -17.876 101.651
 1421    HB3  GLU  19           HB1      GLU  19  69.732 -18.901 100.309
 1422    HG2  GLU  19           HG2      GLU  19  68.839 -16.976  99.273
 1423    HG3  GLU  19           HG1      GLU  19  67.532 -18.148  99.166
 1424    H    ALA  20           HN       ALA  20  65.574 -20.113 100.565
 1425    HA   ALA  20           HA       ALA  20  66.382 -21.391  98.077
 1426    HB1  ALA  20           HB1      ALA  20  66.101 -22.968 100.381
 1427    HB2  ALA  20           HB2      ALA  20  66.122 -23.550  98.722
 1428    HB3  ALA  20           HB3      ALA  20  64.585 -23.212  99.512
 1429    H    VAL  21           HN       VAL  21  64.540 -22.043  96.775
 1430    HA   VAL  21           HA       VAL  21  62.404 -20.086  96.953
 1431    HB   VAL  21           HB       VAL  21  63.092 -20.318  94.733
 1432   HG11  VAL  21          HG11      VAL  21  64.739 -21.999  95.027
 1433   HG12  VAL  21          HG12      VAL  21  63.635 -22.633  93.810
 1434   HG13  VAL  21          HG13      VAL  21  63.535 -23.208  95.474
 1435   HG21  VAL  21          HG21      VAL  21  61.373 -21.415  93.512
 1436   HG22  VAL  21          HG22      VAL  21  60.598 -21.018  95.043
 1437   HG23  VAL  21          HG23      VAL  21  61.169 -22.657  94.745
 1438    H    ASP  22           HN       ASP  22  62.974 -23.542  97.155
 1439    HA   ASP  22           HA       ASP  22  60.120 -23.904  97.921
 1440    HB2  ASP  22           HB2      ASP  22  60.998 -25.229  95.981
 1441    HB3  ASP  22           HB1      ASP  22  62.049 -26.060  97.122
 1442    H    ALA  23           HN       ALA  23  59.562 -25.056  99.669
 1443    HA   ALA  23           HA       ALA  23  61.318 -24.918 101.927
 1444    HB1  ALA  23           HB1      ALA  23  59.039 -24.679 102.467
 1445    HB2  ALA  23           HB2      ALA  23  59.405 -26.328 102.970
 1446    HB3  ALA  23           HB3      ALA  23  58.567 -26.036 101.447
 1447    H    ALA  24           HN       ALA  24  60.020 -27.569  99.936
 1448    HA   ALA  24           HA       ALA  24  61.222 -29.695 101.336
 1449    HB1  ALA  24           HB1      ALA  24  59.432 -29.820  99.492
 1450    HB2  ALA  24           HB2      ALA  24  60.681 -31.065  99.474
 1451    HB3  ALA  24           HB3      ALA  24  60.771 -29.711  98.347
 1452    H    THR  25           HN       THR  25  62.591 -27.662  98.589
 1453    HA   THR  25           HA       THR  25  64.948 -29.213  98.287
 1454    HB   THR  25           HB       THR  25  63.926 -27.321  96.742
 1455    HG1  THR  25           HG1      THR  25  66.646 -27.160  96.677
 1456   HG21  THR  25          HG21      THR  25  64.745 -25.148  96.966
 1457   HG22  THR  25          HG22      THR  25  66.175 -25.678  97.851
 1458   HG23  THR  25          HG23      THR  25  64.617 -25.584  98.670
 1459    H    ALA  26           HN       ALA  26  64.027 -26.688 100.532
 1460    HA   ALA  26           HA       ALA  26  66.643 -26.015 101.431
 1461    HB1  ALA  26           HB1      ALA  26  63.868 -25.601 102.520
 1462    HB2  ALA  26           HB2      ALA  26  65.021 -24.401 101.939
 1463    HB3  ALA  26           HB3      ALA  26  65.277 -25.188 103.495
 1464    H    GLU  27           HN       GLU  27  64.284 -28.399 102.351
 1465    HA   GLU  27           HA       GLU  27  65.461 -29.275 104.765
 1466    HB2  GLU  27           HB2      GLU  27  63.632 -30.637 104.829
 1467    HB3  GLU  27           HB1      GLU  27  63.136 -29.852 103.333
 1468    HG2  GLU  27           HG2      GLU  27  64.450 -31.604 102.071
 1469    HG3  GLU  27           HG1      GLU  27  64.715 -32.428 103.602
 1470    H    LYS  28           HN       LYS  28  66.097 -30.011 101.405
 1471    HA   LYS  28           HA       LYS  28  67.473 -32.425 101.685
 1472    HB2  LYS  28           HB2      LYS  28  67.979 -30.145  99.754
 1473    HB3  LYS  28           HB1      LYS  28  68.668 -31.761  99.598
 1474    HG2  LYS  28           HG2      LYS  28  66.312 -32.672  99.633
 1475    HG3  LYS  28           HG1      LYS  28  65.738 -31.009  99.534
 1476    HD2  LYS  28           HD2      LYS  28  67.104 -30.732  97.427
 1477    HD3  LYS  28           HD1      LYS  28  67.475 -32.454  97.500
 1478    HE2  LYS  28           HE2      LYS  28  65.226 -33.088  97.094
 1479    HE3  LYS  28           HE1      LYS  28  64.598 -31.516  97.564
 1480    HZ1  LYS  28           HZ1      LYS  28  65.646 -30.558  95.463
 1481    HZ2  LYS  28           HZ2      LYS  28  64.449 -31.711  95.119
 1482    HZ3  LYS  28           HZ3      LYS  28  66.090 -32.128  94.991
 1483    H    VAL  29           HN       VAL  29  68.585 -29.091 102.028
 1484    HA   VAL  29           HA       VAL  29  71.311 -29.787 102.520
 1485    HB   VAL  29           HB       VAL  29  69.884 -27.278 103.417
 1486   HG11  VAL  29          HG11      VAL  29  72.139 -27.530 104.299
 1487   HG12  VAL  29          HG12      VAL  29  72.161 -26.310 103.025
 1488   HG13  VAL  29          HG13      VAL  29  72.755 -27.938 102.698
 1489   HG21  VAL  29          HG21      VAL  29  71.021 -28.044 100.714
 1490   HG22  VAL  29          HG22      VAL  29  70.672 -26.379 101.183
 1491   HG23  VAL  29          HG23      VAL  29  69.365 -27.558 101.076
 1492    H    PHE  30           HN       PHE  30  68.640 -28.776 104.653
 1493    HA   PHE  30           HA       PHE  30  69.986 -29.043 107.089
 1494    HB2  PHE  30           HB2      PHE  30  67.051 -29.292 106.479
 1495    HB3  PHE  30           HB1      PHE  30  67.720 -29.166 108.094
 1496    HD1  PHE  30           HD2      PHE  30  69.746 -27.077 107.994
 1497    HD2  PHE  30           HD1      PHE  30  65.995 -27.301 105.885
 1498    HE1  PHE  30           HE2      PHE  30  69.708 -24.622 107.774
 1499    HE2  PHE  30           HE1      PHE  30  65.967 -24.835 105.704
 1500    HZ   PHE  30           HZ       PHE  30  67.823 -23.498 106.656
 1501    H    LYS  31           HN       LYS  31  67.942 -31.435 105.373
 1502    HA   LYS  31           HA       LYS  31  68.196 -33.353 107.479
 1503    HB2  LYS  31           HB2      LYS  31  67.219 -33.492 104.634
 1504    HB3  LYS  31           HB1      LYS  31  67.481 -34.980 105.541
 1505    HG2  LYS  31           HG2      LYS  31  66.021 -33.936 107.386
 1506    HG3  LYS  31           HG1      LYS  31  65.575 -32.720 106.190
 1507    HD2  LYS  31           HD2      LYS  31  64.702 -34.441 104.711
 1508    HD3  LYS  31           HD1      LYS  31  65.271 -35.706 105.793
 1509    HE2  LYS  31           HE2      LYS  31  63.744 -35.028 107.518
 1510    HE3  LYS  31           HE1      LYS  31  63.295 -33.573 106.624
 1511    HZ1  LYS  31           HZ1      LYS  31  62.959 -35.842 104.990
 1512    HZ2  LYS  31           HZ2      LYS  31  61.792 -34.719 105.506
 1513    HZ3  LYS  31           HZ3      LYS  31  62.139 -36.087 106.453
 1514    H    GLN  32           HN       GLN  32  69.901 -32.842 104.417
 1515    HA   GLN  32           HA       GLN  32  71.607 -35.111 104.690
 1516    HB2  GLN  32           HB2      GLN  32  71.123 -33.850 102.564
 1517    HB3  GLN  32           HB1      GLN  32  72.140 -32.548 103.181
 1518    HG2  GLN  32           HG2      GLN  32  73.952 -34.369 103.496
 1519    HG3  GLN  32           HG1      GLN  32  72.940 -35.367 102.453
 1520   HE21  GLN  32          HE21      GLN  32  73.539 -35.244 100.249
 1521   HE22  GLN  32          HE22      GLN  32  74.219 -33.872  99.516
 1522    H    TYR  33           HN       TYR  33  71.674 -31.784 105.745
 1523    HA   TYR  33           HA       TYR  33  74.382 -31.668 106.570
 1524    HB2  TYR  33           HB2      TYR  33  73.231 -29.635 106.168
 1525    HB3  TYR  33           HB1      TYR  33  71.895 -30.120 107.208
 1526    HD1  TYR  33           HD1      TYR  33  75.425 -29.066 107.141
 1527    HD2  TYR  33           HD2      TYR  33  71.990 -29.879 109.589
 1528    HE1  TYR  33           HE1      TYR  33  76.552 -28.001 109.074
 1529    HE2  TYR  33           HE2      TYR  33  73.118 -28.814 111.524
 1530    HH   TYR  33           HH       TYR  33  75.591 -26.799 111.322
 1531    H    ALA  34           HN       ALA  34  71.347 -32.515 108.175
 1532    HA   ALA  34           HA       ALA  34  72.264 -32.577 110.819
 1533    HB1  ALA  34           HB1      ALA  34  69.857 -32.902 109.742
 1534    HB2  ALA  34           HB2      ALA  34  70.233 -33.566 111.329
 1535    HB3  ALA  34           HB3      ALA  34  70.259 -34.609 109.907
 1536    H    ASN  35           HN       ASN  35  72.486 -35.069 108.214
 1537    HA   ASN  35           HA       ASN  35  73.414 -37.156 109.867
 1538    HB2  ASN  35           HB2      ASN  35  72.647 -37.034 107.303
 1539    HB3  ASN  35           HB1      ASN  35  74.384 -36.904 107.041
 1540   HD21  ASN  35          HD21      ASN  35  72.378 -38.910 109.380
 1541   HD22  ASN  35          HD22      ASN  35  73.129 -40.372 108.956
 1542    H    ASP  36           HN       ASP  36  75.060 -34.611 108.001
 1543    HA   ASP  36           HA       ASP  36  77.716 -35.379 108.643
 1544    HB2  ASP  36           HB2      ASP  36  76.913 -32.535 108.062
 1545    HB3  ASP  36           HB1      ASP  36  78.359 -33.409 107.555
 1546    H    ASN  37           HN       ASN  37  75.251 -33.681 110.385
 1547    HA   ASN  37           HA       ASN  37  77.144 -32.459 112.244
 1548    HB2  ASN  37           HB2      ASN  37  74.440 -32.015 111.335
 1549    HB3  ASN  37           HB1      ASN  37  74.446 -32.110 113.084
 1550   HD21  ASN  37          HD21      ASN  37  74.077 -29.809 113.348
 1551   HD22  ASN  37          HD22      ASN  37  75.272 -28.666 112.968
 1552    H    GLY  38           HN       GLY  38  75.025 -35.277 112.110
 1553    HA2  GLY  38           HA2      GLY  38  75.519 -37.154 113.531
 1554    HA3  GLY  38           HA1      GLY  38  75.984 -36.040 114.806
 1555    H    VAL  39           HN       VAL  39  73.483 -34.369 114.287
 1556    HA   VAL  39           HA       VAL  39  71.745 -35.983 115.998
 1557    HB   VAL  39           HB       VAL  39  71.987 -33.773 116.791
 1558   HG11  VAL  39          HG11      VAL  39  71.697 -31.779 115.436
 1559   HG12  VAL  39          HG12      VAL  39  71.258 -32.757 114.037
 1560   HG13  VAL  39          HG13      VAL  39  72.892 -32.821 114.678
 1561   HG21  VAL  39          HG21      VAL  39  69.752 -32.817 116.677
 1562   HG22  VAL  39          HG22      VAL  39  69.616 -34.569 116.742
 1563   HG23  VAL  39          HG23      VAL  39  69.396 -33.726 115.216
 1564    H    ASP  40           HN       ASP  40  70.473 -37.397 115.027
 1565    HA   ASP  40           HA       ASP  40  68.848 -36.520 112.696
 1566    HB2  ASP  40           HB2      ASP  40  70.749 -38.238 112.246
 1567    HB3  ASP  40           HB1      ASP  40  69.727 -39.379 113.114
 1568    H    GLY  41           HN       GLY  41  66.754 -36.294 113.520
 1569    HA2  GLY  41           HA2      GLY  41  65.681 -38.584 115.053
 1570    HA3  GLY  41           HA1      GLY  41  65.566 -36.979 115.754
 1571    H    GLU  42           HN       GLU  42  63.204 -37.108 115.740
 1572    HA   GLU  42           HA       GLU  42  61.844 -37.539 113.285
 1573    HB2  GLU  42           HB2      GLU  42  60.545 -36.166 115.615
 1574    HB3  GLU  42           HB1      GLU  42  59.884 -37.368 114.513
 1575    HG2  GLU  42           HG2      GLU  42  61.888 -37.842 116.734
 1576    HG3  GLU  42           HG1      GLU  42  60.231 -38.435 116.652
 1577    H    TRP  43           HN       TRP  43  61.227 -36.108 111.835
 1578    HA   TRP  43           HA       TRP  43  62.118 -33.327 112.151
 1579    HB2  TRP  43           HB2      TRP  43  61.465 -35.037 109.754
 1580    HB3  TRP  43           HB1      TRP  43  61.796 -33.306 109.649
 1581    HD1  TRP  43           HD1      TRP  43  63.523 -36.642 110.500
 1582    HE1  TRP  43           HE1      TRP  43  66.072 -36.252 110.513
 1583    HE3  TRP  43           HE3      TRP  43  63.618 -31.599 109.892
 1584    HZ2  TRP  43           HZ2      TRP  43  67.904 -34.078 110.259
 1585    HZ3  TRP  43           HZ3      TRP  43  65.762 -30.392 109.767
 1586    HH2  TRP  43           HH2      TRP  43  67.909 -31.615 109.949
 1587    H    THR  44           HN       THR  44  60.923 -31.694 111.228
 1588    HA   THR  44           HA       THR  44  58.092 -31.983 110.724
 1589    HB   THR  44           HB       THR  44  58.019 -31.897 113.151
 1590    HG1  THR  44           HG1      THR  44  57.337 -29.645 111.668
 1591   HG21  THR  44          HG21      THR  44  60.044 -29.692 112.775
 1592   HG22  THR  44          HG22      THR  44  60.097 -31.081 113.858
 1593   HG23  THR  44          HG23      THR  44  59.018 -29.733 114.206
 1594    H    TYR  45           HN       TYR  45  57.200 -29.830 109.970
 1595    HA   TYR  45           HA       TYR  45  59.188 -27.750 109.536
 1596    HB2  TYR  45           HB2      TYR  45  59.642 -29.067 107.590
 1597    HB3  TYR  45           HB1      TYR  45  57.926 -29.260 107.246
 1598    HD1  TYR  45           HD2      TYR  45  60.217 -26.365 108.031
 1599    HD2  TYR  45           HD1      TYR  45  57.164 -27.956 105.457
 1600    HE1  TYR  45           HE2      TYR  45  60.232 -24.272 106.720
 1601    HE2  TYR  45           HE1      TYR  45  57.183 -25.853 104.145
 1602    HH   TYR  45           HH       TYR  45  58.800 -23.024 105.230
 1603    H    ASP  46           HN       ASP  46  58.246 -25.918 109.984
 1604    HA   ASP  46           HA       ASP  46  55.339 -25.671 109.567
 1605    HB2  ASP  46           HB2      ASP  46  56.076 -25.006 111.807
 1606    HB3  ASP  46           HB1      ASP  46  57.275 -23.904 111.108
 1607    H    ASP  47           HN       ASP  47  54.841 -24.906 107.520
 1608    HA   ASP  47           HA       ASP  47  56.789 -23.346 106.032
 1609    HB2  ASP  47           HB2      ASP  47  55.161 -25.201 105.147
 1610    HB3  ASP  47           HB1      ASP  47  53.985 -23.893 105.088
 1611    H    ALA  48           HN       ALA  48  54.426 -22.698 108.266
 1612    HA   ALA  48           HA       ALA  48  53.438 -20.223 107.154
 1613    HB1  ALA  48           HB1      ALA  48  53.294 -21.010 110.055
 1614    HB2  ALA  48           HB2      ALA  48  52.283 -21.806 108.850
 1615    HB3  ALA  48           HB3      ALA  48  52.145 -20.067 109.105
 1616    H    THR  49           HN       THR  49  56.126 -21.238 109.225
 1617    HA   THR  49           HA       THR  49  57.006 -18.412 109.452
 1618    HB   THR  49           HB       THR  49  58.211 -19.306 111.608
 1619    HG1  THR  49           HG1      THR  49  56.532 -20.910 112.499
 1620   HG21  THR  49          HG21      THR  49  55.223 -18.858 111.502
 1621   HG22  THR  49          HG22      THR  49  56.469 -17.629 111.720
 1622   HG23  THR  49          HG23      THR  49  56.185 -18.832 112.980
 1623    H    LYS  50           HN       LYS  50  57.542 -21.028 107.710
 1624    HA   LYS  50           HA       LYS  50  59.383 -22.093 106.809
 1625    HB2  LYS  50           HB2      LYS  50  60.830 -19.481 107.237
 1626    HB3  LYS  50           HB1      LYS  50  60.972 -20.608 105.892
 1627    HG2  LYS  50           HG2      LYS  50  58.492 -18.965 106.502
 1628    HG3  LYS  50           HG1      LYS  50  59.699 -18.555 105.287
 1629    HD2  LYS  50           HD2      LYS  50  59.268 -20.769 104.187
 1630    HD3  LYS  50           HD1      LYS  50  57.952 -21.032 105.332
 1631    HE2  LYS  50           HE2      LYS  50  56.706 -19.193 104.487
 1632    HE3  LYS  50           HE1      LYS  50  58.090 -18.564 103.595
 1633    HZ1  LYS  50           HZ1      LYS  50  56.211 -20.598 102.854
 1634    HZ2  LYS  50           HZ2      LYS  50  57.824 -21.091 102.652
 1635    HZ3  LYS  50           HZ3      LYS  50  57.261 -19.687 101.880
 1636    H    THR  51           HN       THR  51  59.196 -22.913 109.349
 1637    HA   THR  51           HA       THR  51  62.000 -22.790 110.353
 1638    HB   THR  51           HB       THR  51  59.460 -22.747 112.015
 1639    HG1  THR  51           HG1      THR  51  60.578 -20.800 111.004
 1640   HG21  THR  51          HG21      THR  51  62.354 -23.245 112.741
 1641   HG22  THR  51          HG22      THR  51  60.936 -24.188 113.198
 1642   HG23  THR  51          HG23      THR  51  61.208 -22.601 113.917
 1643    H    PHE  52           HN       PHE  52  62.992 -24.759 110.468
 1644    HA   PHE  52           HA       PHE  52  61.331 -27.211 110.471
 1645    HB2  PHE  52           HB2      PHE  52  64.178 -26.624 109.645
 1646    HB3  PHE  52           HB1      PHE  52  63.527 -28.257 109.771
 1647    HD1  PHE  52           HD2      PHE  52  63.308 -25.034 107.942
 1648    HD2  PHE  52           HD1      PHE  52  62.014 -29.127 108.147
 1649    HE1  PHE  52           HE2      PHE  52  62.464 -24.904 105.604
 1650    HE2  PHE  52           HE1      PHE  52  61.186 -28.985 105.817
 1651    HZ   PHE  52           HZ       PHE  52  61.412 -26.871 104.547
 1652    H    THR  53           HN       THR  53  62.060 -28.964 111.951
 1653    HA   THR  53           HA       THR  53  64.127 -28.280 113.885
 1654    HB   THR  53           HB       THR  53  62.815 -28.494 115.882
 1655    HG1  THR  53           HG1      THR  53  61.314 -29.968 115.267
 1656   HG21  THR  53          HG21      THR  53  62.807 -26.240 114.807
 1657   HG22  THR  53          HG22      THR  53  61.386 -26.535 115.792
 1658   HG23  THR  53          HG23      THR  53  61.281 -26.644 114.036
 1659    H    VAL  54           HN       VAL  54  65.291 -30.172 114.404
 1660    HA   VAL  54           HA       VAL  54  63.915 -32.762 113.866
 1661    HB   VAL  54           HB       VAL  54  65.820 -32.307 112.357
 1662   HG11  VAL  54          HG11      VAL  54  67.550 -32.420 114.831
 1663   HG12  VAL  54          HG12      VAL  54  67.052 -30.907 114.080
 1664   HG13  VAL  54          HG13      VAL  54  68.052 -32.050 113.184
 1665   HG21  VAL  54          HG21      VAL  54  66.434 -34.492 114.381
 1666   HG22  VAL  54          HG22      VAL  54  66.961 -34.444 112.699
 1667   HG23  VAL  54          HG23      VAL  54  65.250 -34.642 113.080
 1668    H    THR  55           HN       THR  55  63.535 -34.020 115.598
 1669    HA   THR  55           HA       THR  55  65.141 -33.622 118.062
 1670    HB   THR  55           HB       THR  55  62.693 -32.716 117.998
 1671    HG1  THR  55           HG1      THR  55  62.800 -32.875 120.104
 1672   HG21  THR  55          HG21      THR  55  61.836 -34.958 117.079
 1673   HG22  THR  55          HG22      THR  55  60.943 -34.271 118.432
 1674   HG23  THR  55          HG23      THR  55  62.077 -35.594 118.705
 1675    H    GLU  56           HN       GLU  56  66.257 -35.411 118.684
 1676    HA   GLU  56           HA       GLU  56  65.228 -38.070 117.851
 1677    HB2  GLU  56           HB2      GLU  56  67.733 -38.666 118.506
 1678    HB3  GLU  56           HB1      GLU  56  67.355 -37.969 116.931
 1679    HG2  GLU  56           HG2      GLU  56  67.888 -35.733 117.750
 1680    HG3  GLU  56           HG1      GLU  56  68.201 -36.376 119.362
 1681    H1   MET   1           HT1      MET   1  53.452  17.149  96.204
 1682    H2   MET   1           HT2      MET   1  54.077  15.589  96.450
 1683    H3   MET   1           HT3      MET   1  55.082  16.948  96.629
 1684    HA   MET   1           HA       MET   1  53.998  17.653  98.568
 1685    HB2  MET   1           HB2      MET   1  51.784  17.224  98.954
 1686    HB3  MET   1           HB1      MET   1  51.761  16.459  97.371
 1687    HG2  MET   1           HG2      MET   1  52.296  15.049 100.011
 1688    HG3  MET   1           HG1      MET   1  50.817  14.960  99.067
 1689    HE1  MET   1           HE1      MET   1  50.297  13.225  97.580
 1690    HE2  MET   1           HE2      MET   1  51.347  12.652  96.291
 1691    HE3  MET   1           HE3      MET   1  50.943  14.362  96.391
 1692    H    GLN   2           HN       GLN   2  53.945  16.344 100.748
 1693    HA   GLN   2           HA       GLN   2  55.874  14.083 100.573
 1694    HB2  GLN   2           HB2      GLN   2  55.760  16.297 102.650
 1695    HB3  GLN   2           HB1      GLN   2  56.854  14.921 102.688
 1696    HG2  GLN   2           HG2      GLN   2  58.000  15.681 100.713
 1697    HG3  GLN   2           HG1      GLN   2  56.783  16.917 100.409
 1698   HE21  GLN   2          HE21      GLN   2  56.620  17.792 103.338
 1699   HE22  GLN   2          HE22      GLN   2  58.075  18.609 103.650
 1700    H    TYR   3           HN       TYR   3  55.631  12.427 102.098
 1701    HA   TYR   3           HA       TYR   3  53.159  12.535 103.727
 1702    HB2  TYR   3           HB2      TYR   3  54.387   9.900 103.002
 1703    HB3  TYR   3           HB1      TYR   3  52.706  10.312 103.348
 1704    HD1  TYR   3           HD2      TYR   3  55.418  11.093 100.888
 1705    HD2  TYR   3           HD1      TYR   3  51.221  10.448 101.548
 1706    HE1  TYR   3           HE2      TYR   3  55.010  11.238  98.453
 1707    HE2  TYR   3           HE1      TYR   3  50.818  10.583  99.109
 1708    HH   TYR   3           HH       TYR   3  53.491  10.781  96.818
 1709    H    LYS   4           HN       LYS   4  53.278  11.394 105.745
 1710    HA   LYS   4           HA       LYS   4  56.048  11.347 106.850
 1711    HB2  LYS   4           HB2      LYS   4  54.584  13.227 107.613
 1712    HB3  LYS   4           HB1      LYS   4  53.462  12.040 108.268
 1713    HG2  LYS   4           HG2      LYS   4  55.237  11.186 109.763
 1714    HG3  LYS   4           HG1      LYS   4  56.359  12.381 109.108
 1715    HD2  LYS   4           HD2      LYS   4  54.904  14.208 109.888
 1716    HD3  LYS   4           HD1      LYS   4  53.746  13.032 110.513
 1717    HE2  LYS   4           HE2      LYS   4  55.068  13.695 112.386
 1718    HE3  LYS   4           HE1      LYS   4  55.659  12.100 111.917
 1719    HZ1  LYS   4           HZ1      LYS   4  56.856  14.694 111.117
 1720    HZ2  LYS   4           HZ2      LYS   4  57.419  13.160 110.654
 1721    HZ3  LYS   4           HZ3      LYS   4  57.480  13.634 112.285
 1722    H    LEU   5           HN       LEU   5  56.723   9.430 107.674
 1723    HA   LEU   5           HA       LEU   5  54.673   7.376 108.292
 1724    HB2  LEU   5           HB2      LEU   5  56.274   6.689 106.575
 1725    HB3  LEU   5           HB1      LEU   5  57.609   7.096 107.619
 1726    HG   LEU   5           HG       LEU   5  56.861   4.582 107.311
 1727   HD11  LEU   5          HD11      LEU   5  57.689   4.027 109.569
 1728   HD12  LEU   5          HD12      LEU   5  57.603   5.728 110.001
 1729   HD13  LEU   5          HD13      LEU   5  58.697   5.197 108.726
 1730   HD21  LEU   5          HD21      LEU   5  55.264   3.692 108.763
 1731   HD22  LEU   5          HD22      LEU   5  54.479   5.128 108.144
 1732   HD23  LEU   5          HD23      LEU   5  55.193   5.141 109.745
 1733    H    ILE   6           HN       ILE   6  54.356   6.808 110.354
 1734    HA   ILE   6           HA       ILE   6  56.160   7.904 112.424
 1735    HB   ILE   6           HB       ILE   6  53.497   6.527 112.822
 1736   HG12  ILE   6          HG12      ILE   6  53.183   8.471 111.345
 1737   HG13  ILE   6          HG11      ILE   6  52.504   8.783 112.939
 1738   HG21  ILE   6          HG21      ILE   6  53.573   7.769 114.970
 1739   HG22  ILE   6          HG22      ILE   6  55.174   8.368 114.537
 1740   HG23  ILE   6          HG23      ILE   6  54.917   6.641 114.786
 1741   HD11  ILE   6          HD11      ILE   6  53.692  10.749 112.305
 1742   HD12  ILE   6          HD12      ILE   6  55.094   9.825 111.781
 1743   HD13  ILE   6          HD13      ILE   6  54.702   9.941 113.495
 1744    H    LEU   7           HN       LEU   7  57.414   6.642 113.579
 1745    HA   LEU   7           HA       LEU   7  57.425   3.776 112.968
 1746    HB2  LEU   7           HB2      LEU   7  59.355   5.646 114.333
 1747    HB3  LEU   7           HB1      LEU   7  59.523   3.904 114.491
 1748    HG   LEU   7           HG       LEU   7  59.288   4.061 111.780
 1749   HD11  LEU   7          HD11      LEU   7  60.618   6.646 112.635
 1750   HD12  LEU   7          HD12      LEU   7  59.097   6.508 111.754
 1751   HD13  LEU   7          HD13      LEU   7  60.605   6.000 110.995
 1752   HD21  LEU   7          HD21      LEU   7  61.836   4.586 113.330
 1753   HD22  LEU   7          HD22      LEU   7  61.733   3.935 111.696
 1754   HD23  LEU   7          HD23      LEU   7  61.121   2.998 113.059
 1755    H    ASN   8           HN       ASN   8  56.195   2.537 114.126
 1756    HA   ASN   8           HA       ASN   8  56.173   2.820 117.059
 1757    HB2  ASN   8           HB2      ASN   8  54.054   3.702 116.288
 1758    HB3  ASN   8           HB1      ASN   8  53.830   2.325 115.210
 1759   HD21  ASN   8          HD21      ASN   8  51.978   1.378 116.206
 1760   HD22  ASN   8          HD22      ASN   8  51.979   0.800 117.801
 1761    H    GLY   9           HN       GLY   9  57.779   1.173 117.027
 1762    HA2  GLY   9           HA2      GLY   9  56.781  -1.505 116.205
 1763    HA3  GLY   9           HA1      GLY   9  58.458  -1.011 116.008
 1764    H    LYS  10           HN       LYS  10  59.036  -2.863 117.270
 1765    HA   LYS  10           HA       LYS  10  58.150  -3.106 119.967
 1766    HB2  LYS  10           HB2      LYS  10  60.740  -4.292 118.972
 1767    HB3  LYS  10           HB1      LYS  10  59.605  -4.941 120.157
 1768    HG2  LYS  10           HG2      LYS  10  57.924  -4.931 118.105
 1769    HG3  LYS  10           HG1      LYS  10  59.407  -4.918 117.153
 1770    HD2  LYS  10           HD2      LYS  10  60.181  -6.939 118.374
 1771    HD3  LYS  10           HD1      LYS  10  58.653  -6.968 119.254
 1772    HE2  LYS  10           HE2      LYS  10  57.415  -7.254 117.167
 1773    HE3  LYS  10           HE1      LYS  10  58.907  -7.118 116.235
 1774    HZ1  LYS  10           HZ1      LYS  10  59.446  -9.062 118.061
 1775    HZ2  LYS  10           HZ2      LYS  10  59.033  -9.314 116.432
 1776    HZ3  LYS  10           HZ3      LYS  10  57.833  -9.372 117.635
 1777    H    THR  11           HN       THR  11  61.237  -1.833 118.548
 1778    HA   THR  11           HA       THR  11  61.504  -0.174 120.985
 1779    HB   THR  11           HB       THR  11  64.008  -0.540 120.770
 1780    HG1  THR  11           HG1      THR  11  63.549  -2.978 119.606
 1781   HG21  THR  11          HG21      THR  11  62.133  -2.804 121.467
 1782   HG22  THR  11          HG22      THR  11  62.747  -1.554 122.549
 1783   HG23  THR  11          HG23      THR  11  63.841  -2.777 121.903
 1784    H    LEU  12           HN       LEU  12  61.446  -0.333 117.588
 1785    HA   LEU  12           HA       LEU  12  63.060   2.048 117.224
 1786    HB2  LEU  12           HB2      LEU  12  62.400  -0.158 115.622
 1787    HB3  LEU  12           HB1      LEU  12  61.494   1.160 114.889
 1788    HG   LEU  12           HG       LEU  12  64.479   1.009 115.372
 1789   HD11  LEU  12          HD11      LEU  12  64.614   1.234 112.951
 1790   HD12  LEU  12          HD12      LEU  12  62.873   1.482 112.848
 1791   HD13  LEU  12          HD13      LEU  12  63.511  -0.089 113.335
 1792   HD21  LEU  12          HD21      LEU  12  64.332   3.257 115.763
 1793   HD22  LEU  12          HD22      LEU  12  62.695   3.374 115.124
 1794   HD23  LEU  12          HD23      LEU  12  64.073   3.382 114.030
 1795    H    LYS  13           HN       LYS  13  62.181   3.973 117.754
 1796    HA   LYS  13           HA       LYS  13  59.484   4.585 116.730
 1797    HB2  LYS  13           HB2      LYS  13  60.417   4.980 119.583
 1798    HB3  LYS  13           HB1      LYS  13  59.074   5.881 118.896
 1799    HG2  LYS  13           HG2      LYS  13  57.781   4.143 119.636
 1800    HG3  LYS  13           HG1      LYS  13  58.363   3.298 118.208
 1801    HD2  LYS  13           HD2      LYS  13  60.404   2.694 119.854
 1802    HD3  LYS  13           HD1      LYS  13  59.167   2.963 121.082
 1803    HE2  LYS  13           HE2      LYS  13  58.989   0.659 120.575
 1804    HE3  LYS  13           HE1      LYS  13  57.688   1.401 119.642
 1805    HZ1  LYS  13           HZ1      LYS  13  58.727   0.996 117.701
 1806    HZ2  LYS  13           HZ2      LYS  13  59.503  -0.227 118.585
 1807    HZ3  LYS  13           HZ3      LYS  13  60.274   1.263 118.334
 1808    H    GLY  14           HN       GLY  14  59.245   6.535 115.902
 1809    HA2  GLY  14           HA2      GLY  14  60.511   8.907 116.537
 1810    HA3  GLY  14           HA1      GLY  14  61.528   8.133 115.320
 1811    H    GLU  15           HN       GLU  15  60.984   9.841 113.768
 1812    HA   GLU  15           HA       GLU  15  58.315   9.461 112.535
 1813    HB2  GLU  15           HB2      GLU  15  59.834  12.073 112.521
 1814    HB3  GLU  15           HB1      GLU  15  58.203  11.761 111.931
 1815    HG2  GLU  15           HG2      GLU  15  59.019  11.387 114.803
 1816    HG3  GLU  15           HG1      GLU  15  58.343  12.886 114.179
 1817    H    THR  16           HN       THR  16  58.306   9.852 110.215
 1818    HA   THR  16           HA       THR  16  60.907  10.009 108.888
 1819    HB   THR  16           HB       THR  16  59.704   7.895 107.516
 1820    HG1  THR  16           HG1      THR  16  59.090   7.869 110.225
 1821   HG21  THR  16          HG21      THR  16  61.780   7.794 109.700
 1822   HG22  THR  16          HG22      THR  16  62.082   8.123 107.994
 1823   HG23  THR  16          HG23      THR  16  61.496   6.537 108.496
 1824    H    THR  17           HN       THR  17  60.761  10.595 106.701
 1825    HA   THR  17           HA       THR  17  58.083  11.124 105.633
 1826    HB   THR  17           HB       THR  17  60.059  13.389 105.623
 1827    HG1  THR  17           HG1      THR  17  59.885  13.338 107.720
 1828   HG21  THR  17          HG21      THR  17  57.869  13.265 104.253
 1829   HG22  THR  17          HG22      THR  17  58.153  14.708 105.210
 1830   HG23  THR  17          HG23      THR  17  57.054  13.470 105.803
 1831    H    THR  18           HN       THR  18  58.087  11.777 103.389
 1832    HA   THR  18           HA       THR  18  60.541  11.527 101.887
 1833    HB   THR  18           HB       THR  18  59.641   9.156 102.294
 1834    HG1  THR  18           HG1      THR  18  60.750  10.311 100.243
 1835   HG21  THR  18          HG21      THR  18  57.669   9.923 100.148
 1836   HG22  THR  18          HG22      THR  18  57.231   9.969 101.852
 1837   HG23  THR  18          HG23      THR  18  57.724   8.448 101.107
 1838    H    GLU  19           HN       GLU  19  60.318  12.269  99.754
 1839    HA   GLU  19           HA       GLU  19  57.903  13.905  99.232
 1840    HB2  GLU  19           HB2      GLU  19  60.088  15.093  99.368
 1841    HB3  GLU  19           HB1      GLU  19  60.704  14.074  98.070
 1842    HG2  GLU  19           HG2      GLU  19  60.038  16.056  96.974
 1843    HG3  GLU  19           HG1      GLU  19  58.696  14.958  96.683
 1844    H    ALA  20           HN       ALA  20  56.513  13.030  97.799
 1845    HA   ALA  20           HA       ALA  20  57.539  11.785  95.366
 1846    HB1  ALA  20           HB1      ALA  20  56.884  10.165  97.559
 1847    HB2  ALA  20           HB2      ALA  20  57.076   9.631  95.896
 1848    HB3  ALA  20           HB3      ALA  20  55.476  10.041  96.505
 1849    H    VAL  21           HN       VAL  21  55.841  11.291  93.817
 1850    HA   VAL  21           HA       VAL  21  53.828  13.374  93.755
 1851    HB   VAL  21           HB       VAL  21  54.778  13.031  91.640
 1852   HG11  VAL  21          HG11      VAL  21  56.131  11.112  92.071
 1853   HG12  VAL  21          HG12      VAL  21  55.078  10.661  90.733
 1854   HG13  VAL  21          HG13      VAL  21  54.725  10.092  92.361
 1855   HG21  VAL  21          HG21      VAL  21  53.047  12.203  90.251
 1856   HG22  VAL  21          HG22      VAL  21  52.201  12.704  91.714
 1857   HG23  VAL  21          HG23      VAL  21  52.545  10.997  91.437
 1858    H    ASP  22           HN       ASP  22  54.076   9.870  94.001
 1859    HA   ASP  22           HA       ASP  22  51.148   9.715  94.505
 1860    HB2  ASP  22           HB2      ASP  22  52.039   8.437  92.552
 1861    HB3  ASP  22           HB1      ASP  22  52.987   7.476  93.684
 1862    H    ALA  23           HN       ALA  23  50.369   8.297  96.065
 1863    HA   ALA  23           HA       ALA  23  51.886   8.285  98.504
 1864    HB1  ALA  23           HB1      ALA  23  49.578   8.612  98.805
 1865    HB2  ALA  23           HB2      ALA  23  49.821   6.934  99.288
 1866    HB3  ALA  23           HB3      ALA  23  49.157   7.306  97.699
 1867    H    ALA  24           HN       ALA  24  50.680   5.775  96.285
 1868    HA   ALA  24           HA       ALA  24  51.646   3.542  97.692
 1869    HB1  ALA  24           HB1      ALA  24  50.069   3.552  95.673
 1870    HB2  ALA  24           HB2      ALA  24  51.299   2.288  95.692
 1871    HB3  ALA  24           HB3      ALA  24  51.514   3.711  94.673
 1872    H    THR  25           HN       THR  25  53.370   5.689  95.273
 1873    HA   THR  25           HA       THR  25  55.710   4.068  95.142
 1874    HB   THR  25           HB       THR  25  54.845   6.072  93.595
 1875    HG1  THR  25           HG1      THR  25  57.590   6.024  93.789
 1876   HG21  THR  25          HG21      THR  25  55.832   8.171  93.942
 1877   HG22  THR  25          HG22      THR  25  57.077   7.514  95.003
 1878   HG23  THR  25          HG23      THR  25  55.428   7.707  95.596
 1879    H    ALA  26           HN       ALA  26  54.584   6.555  97.341
 1880    HA   ALA  26           HA       ALA  26  57.097   7.156  98.536
 1881    HB1  ALA  26           HB1      ALA  26  54.228   7.618  99.319
 1882    HB2  ALA  26           HB2      ALA  26  55.466   8.799  98.894
 1883    HB3  ALA  26           HB3      ALA  26  55.528   7.980 100.454
 1884    H    GLU  27           HN       GLU  27  54.608   4.818  99.138
 1885    HA   GLU  27           HA       GLU  27  55.527   3.883 101.644
 1886    HB2  GLU  27           HB2      GLU  27  53.647   2.605 101.558
 1887    HB3  GLU  27           HB1      GLU  27  53.295   3.447 100.055
 1888    HG2  GLU  27           HG2      GLU  27  54.546   1.671  98.818
 1889    HG3  GLU  27           HG1      GLU  27  54.756   0.814 100.331
 1890    H    LYS  28           HN       LYS  28  56.412   3.138  98.344
 1891    HA   LYS  28           HA       LYS  28  57.670   0.672  98.683
 1892    HB2  LYS  28           HB2      LYS  28  58.469   3.019  96.938
 1893    HB3  LYS  28           HB1      LYS  28  59.150   1.399  96.795
 1894    HG2  LYS  28           HG2      LYS  28  56.829   0.530  96.470
 1895    HG3  LYS  28           HG1      LYS  28  56.256   2.192  96.415
 1896    HD2  LYS  28           HD2      LYS  28  57.854   2.602  94.503
 1897    HD3  LYS  28           HD1      LYS  28  58.232   0.879  94.513
 1898    HE2  LYS  28           HE2      LYS  28  56.010   0.270  93.876
 1899    HE3  LYS  28           HE1      LYS  28  55.371   1.858  94.274
 1900    HZ1  LYS  28           HZ1      LYS  28  56.719   2.784  92.323
 1901    HZ2  LYS  28           HZ2      LYS  28  55.513   1.694  91.833
 1902    HZ3  LYS  28           HZ3      LYS  28  57.135   1.193  91.894
 1903    H    VAL  29           HN       VAL  29  58.865   3.951  99.270
 1904    HA   VAL  29           HA       VAL  29  61.491   3.127 100.030
 1905    HB   VAL  29           HB       VAL  29  60.066   5.665 100.849
 1906   HG11  VAL  29          HG11      VAL  29  62.189   5.287 101.983
 1907   HG12  VAL  29          HG12      VAL  29  62.407   6.550 100.772
 1908   HG13  VAL  29          HG13      VAL  29  62.978   4.912 100.451
 1909   HG21  VAL  29          HG21      VAL  29  61.484   4.925  98.274
 1910   HG22  VAL  29          HG22      VAL  29  61.161   6.591  98.755
 1911   HG23  VAL  29          HG23      VAL  29  59.822   5.484  98.457
 1912    H    PHE  30           HN       PHE  30  58.649   4.184 101.897
 1913    HA   PHE  30           HA       PHE  30  59.720   3.791 104.449
 1914    HB2  PHE  30           HB2      PHE  30  56.855   3.701 103.542
 1915    HB3  PHE  30           HB1      PHE  30  57.362   3.747 105.219
 1916    HD1  PHE  30           HD2      PHE  30  59.483   5.744 105.378
 1917    HD2  PHE  30           HD1      PHE  30  55.938   5.757 102.933
 1918    HE1  PHE  30           HE2      PHE  30  59.563   8.205 105.252
 1919    HE2  PHE  30           HE1      PHE  30  56.022   8.224 102.844
 1920    HZ   PHE  30           HZ       PHE  30  57.834   9.447 104.010
 1921    H    LYS  31           HN       LYS  31  57.765   1.534 102.459
 1922    HA   LYS  31           HA       LYS  31  57.709  -0.402 104.572
 1923    HB2  LYS  31           HB2      LYS  31  56.765  -0.246 101.770
 1924    HB3  LYS  31           HB1      LYS  31  57.032  -1.851 102.391
 1925    HG2  LYS  31           HG2      LYS  31  55.437  -1.590 104.113
 1926    HG3  LYS  31           HG1      LYS  31  55.483   0.154 104.010
 1927    HD2  LYS  31           HD2      LYS  31  53.964   0.251 102.318
 1928    HD3  LYS  31           HD1      LYS  31  54.657  -1.136 101.497
 1929    HE2  LYS  31           HE2      LYS  31  53.339  -2.101 103.860
 1930    HE3  LYS  31           HE1      LYS  31  52.241  -1.031 102.999
 1931    HZ1  LYS  31           HZ1      LYS  31  53.816  -2.896 101.407
 1932    HZ2  LYS  31           HZ2      LYS  31  52.234  -2.324 101.173
 1933    HZ3  LYS  31           HZ3      LYS  31  52.540  -3.536 102.324
 1934    H    GLN  32           HN       GLN  32  59.761   0.168 101.790
 1935    HA   GLN  32           HA       GLN  32  61.256  -2.272 102.082
 1936    HB2  GLN  32           HB2      GLN  32  61.092  -0.941  99.966
 1937    HB3  GLN  32           HB1      GLN  32  62.048   0.322 100.740
 1938    HG2  GLN  32           HG2      GLN  32  63.764  -1.600 101.208
 1939    HG3  GLN  32           HG1      GLN  32  62.882  -2.467  99.954
 1940   HE21  GLN  32          HE21      GLN  32  63.768  -2.178  97.866
 1941   HE22  GLN  32          HE22      GLN  32  64.601  -0.791  97.359
 1942    H    TYR  33           HN       TYR  33  61.380   1.005 103.263
 1943    HA   TYR  33           HA       TYR  33  63.978   0.952 104.396
 1944    HB2  TYR  33           HB2      TYR  33  63.003   3.054 103.910
 1945    HB3  TYR  33           HB1      TYR  33  61.521   2.624 104.757
 1946    HD1  TYR  33           HD1      TYR  33  65.064   3.528 105.162
 1947    HD2  TYR  33           HD2      TYR  33  61.328   2.783 107.146
 1948    HE1  TYR  33           HE1      TYR  33  65.980   4.501 107.249
 1949    HE2  TYR  33           HE2      TYR  33  62.246   3.755 109.237
 1950    HH   TYR  33           HH       TYR  33  64.806   5.678 109.393
 1951    H    ALA  34           HN       ALA  34  60.735   0.230 105.610
 1952    HA   ALA  34           HA       ALA  34  61.325   0.082 108.343
 1953    HB1  ALA  34           HB1      ALA  34  59.045  -0.118 107.000
 1954    HB2  ALA  34           HB2      ALA  34  59.216  -0.850 108.592
 1955    HB3  ALA  34           HB3      ALA  34  59.363  -1.845 107.144
 1956    H    ASN  35           HN       ASN  35  61.764  -2.361 105.723
 1957    HA   ASN  35           HA       ASN  35  62.404  -4.524 107.416
 1958    HB2  ASN  35           HB2      ASN  35  61.954  -4.310 104.785
 1959    HB3  ASN  35           HB1      ASN  35  63.714  -4.244 104.734
 1960   HD21  ASN  35          HD21      ASN  35  61.356  -6.227 106.741
 1961   HD22  ASN  35          HD22      ASN  35  62.104  -7.705 106.374
 1962    H    ASP  36           HN       ASP  36  64.361  -2.006 105.833
 1963    HA   ASP  36           HA       ASP  36  66.888  -2.903 106.762
 1964    HB2  ASP  36           HB2      ASP  36  66.275  -0.014 106.174
 1965    HB3  ASP  36           HB1      ASP  36  67.735  -0.938 105.813
 1966    H    ASN  37           HN       ASN  37  64.304  -1.144 108.249
 1967    HA   ASN  37           HA       ASN  37  66.007  -0.046 110.352
 1968    HB2  ASN  37           HB2      ASN  37  63.445   0.527 109.144
 1969    HB3  ASN  37           HB1      ASN  37  63.244   0.394 110.879
 1970   HD21  ASN  37          HD21      ASN  37  62.936   2.700 111.166
 1971   HD22  ASN  37          HD22      ASN  37  64.208   3.804 110.953
 1972    H    GLY  38           HN       GLY  38  63.810  -2.766 109.888
 1973    HA2  GLY  38           HA2      GLY  38  64.054  -4.699 111.299
 1974    HA3  GLY  38           HA1      GLY  38  64.411  -3.639 112.652
 1975    H    VAL  39           HN       VAL  39  62.054  -1.846 111.886
 1976    HA   VAL  39           HA       VAL  39  60.067  -3.423 113.343
 1977    HB   VAL  39           HB       VAL  39  60.289  -1.244 114.214
 1978   HG11  VAL  39          HG11      VAL  39  60.238   0.787 112.883
 1979   HG12  VAL  39          HG12      VAL  39  59.950  -0.147 111.417
 1980   HG13  VAL  39          HG13      VAL  39  61.484  -0.284 112.261
 1981   HG21  VAL  39          HG21      VAL  39  58.124  -0.204 113.869
 1982   HG22  VAL  39          HG22      VAL  39  57.914  -1.952 113.842
 1983   HG23  VAL  39          HG23      VAL  39  57.917  -1.043 112.337
 1984    H    ASP  40           HN       ASP  40  58.869  -4.762 112.202
 1985    HA   ASP  40           HA       ASP  40  57.576  -3.797 109.704
 1986    HB2  ASP  40           HB2      ASP  40  59.447  -5.574 109.465
 1987    HB3  ASP  40           HB1      ASP  40  58.305  -6.683 110.215
 1988    H    GLY  41           HN       GLY  41  55.403  -3.484 110.280
 1989    HA2  GLY  41           HA2      GLY  41  54.059  -5.752 111.622
 1990    HA3  GLY  41           HA1      GLY  41  53.927  -4.157 112.344
 1991    H    GLU  42           HN       GLU  42  51.583  -4.175 112.050
 1992    HA   GLU  42           HA       GLU  42  50.502  -4.504 109.444
 1993    HB2  GLU  42           HB2      GLU  42  49.003  -3.110 111.639
 1994    HB3  GLU  42           HB1      GLU  42  48.420  -4.257 110.438
 1995    HG2  GLU  42           HG2      GLU  42  50.129  -4.871 112.862
 1996    HG3  GLU  42           HG1      GLU  42  48.467  -5.380 112.576
 1997    H    TRP  43           HN       TRP  43  50.011  -3.002 107.992
 1998    HA   TRP  43           HA       TRP  43  51.031  -0.282 108.451
 1999    HB2  TRP  43           HB2      TRP  43  50.608  -1.948 105.975
 2000    HB3  TRP  43           HB1      TRP  43  51.019  -0.231 105.927
 2001    HD1  TRP  43           HD1      TRP  43  52.493  -3.628 107.062
 2002    HE1  TRP  43           HE1      TRP  43  55.030  -3.325 107.387
 2003    HE3  TRP  43           HE3      TRP  43  52.852   1.366 106.270
 2004    HZ2  TRP  43           HZ2      TRP  43  56.971  -1.217 107.273
 2005    HZ3  TRP  43           HZ3      TRP  43  55.031   2.494 106.361
 2006    HH2  TRP  43           HH2      TRP  43  57.096   1.223 106.858
 2007    H    THR  44           HN       THR  44  50.045   1.418 107.449
 2008    HA   THR  44           HA       THR  44  47.284   1.297 106.597
 2009    HB   THR  44           HB       THR  44  46.932   1.330 109.001
 2010    HG1  THR  44           HG1      THR  44  46.537   3.646 107.511
 2011   HG21  THR  44          HG21      THR  44  49.078   3.454 108.926
 2012   HG22  THR  44          HG22      THR  44  48.967   2.021 109.948
 2013   HG23  THR  44          HG23      THR  44  47.905   3.395 110.238
 2014    H    TYR  45           HN       TYR  45  46.601   3.498 105.794
 2015    HA   TYR  45           HA       TYR  45  48.716   5.494 105.670
 2016    HB2  TYR  45           HB2      TYR  45  49.342   4.216 103.746
 2017    HB3  TYR  45           HB1      TYR  45  47.671   4.110 103.198
 2018    HD1  TYR  45           HD2      TYR  45  49.967   6.881 104.340
 2019    HD2  TYR  45           HD1      TYR  45  47.184   5.494 101.373
 2020    HE1  TYR  45           HE2      TYR  45  50.225   9.004 103.106
 2021    HE2  TYR  45           HE1      TYR  45  47.445   7.627 100.139
 2022    HH   TYR  45           HH       TYR  45  49.023  10.355 101.497
 2023    H    ASP  46           HN       ASP  46  47.796   7.353 106.069
 2024    HA   ASP  46           HA       ASP  46  44.970   7.732 105.325
 2025    HB2  ASP  46           HB2      ASP  46  45.466   8.302 107.654
 2026    HB3  ASP  46           HB1      ASP  46  46.780   9.372 107.137
 2027    H    ASP  47           HN       ASP  47  44.741   8.570 103.260
 2028    HA   ASP  47           HA       ASP  47  46.896  10.095 102.048
 2029    HB2  ASP  47           HB2      ASP  47  45.348   8.355 100.896
 2030    HB3  ASP  47           HB1      ASP  47  44.173   9.665 100.829
 2031    H    ALA  48           HN       ALA  48  44.330  10.764 104.046
 2032    HA   ALA  48           HA       ALA  48  43.546  13.311 102.935
 2033    HB1  ALA  48           HB1      ALA  48  43.075  12.434 105.776
 2034    HB2  ALA  48           HB2      ALA  48  42.170  11.713 104.446
 2035    HB3  ALA  48           HB3      ALA  48  42.061  13.447 104.747
 2036    H    THR  49           HN       THR  49  45.981  12.134 105.216
 2037    HA   THR  49           HA       THR  49  46.933  14.913 105.623
 2038    HB   THR  49           HB       THR  49  47.839  13.933 107.885
 2039    HG1  THR  49           HG1      THR  49  45.987  12.397 108.536
 2040   HG21  THR  49          HG21      THR  49  44.911  14.536 107.429
 2041   HG22  THR  49          HG22      THR  49  46.181  15.687 107.847
 2042   HG23  THR  49          HG23      THR  49  45.675  14.468 109.017
 2043    H    LYS  50           HN       LYS  50  47.552  12.331 103.885
 2044    HA   LYS  50           HA       LYS  50  49.426  11.188 103.173
 2045    HB2  LYS  50           HB2      LYS  50  50.945  13.711 103.822
 2046    HB3  LYS  50           HB1      LYS  50  51.179  12.601 102.474
 2047    HG2  LYS  50           HG2      LYS  50  48.734  14.365 102.848
 2048    HG3  LYS  50           HG1      LYS  50  50.084  14.730 101.781
 2049    HD2  LYS  50           HD2      LYS  50  49.660  12.574 100.579
 2050    HD3  LYS  50           HD1      LYS  50  48.225  12.344 101.578
 2051    HE2  LYS  50           HE2      LYS  50  47.158  14.270 100.677
 2052    HE3  LYS  50           HE1      LYS  50  48.649  14.841  99.932
 2053    HZ1  LYS  50           HZ1      LYS  50  46.743  12.933  98.968
 2054    HZ2  LYS  50           HZ2      LYS  50  48.335  12.346  98.910
 2055    HZ3  LYS  50           HZ3      LYS  50  47.932  13.796  98.121
 2056    H    THR  51           HN       THR  51  48.909  10.354 105.672
 2057    HA   THR  51           HA       THR  51  51.587  10.312 106.981
 2058    HB   THR  51           HB       THR  51  48.874  10.420 108.336
 2059    HG1  THR  51           HG1      THR  51  50.190  12.339 107.525
 2060   HG21  THR  51          HG21      THR  51  51.639   9.768 109.378
 2061   HG22  THR  51          HG22      THR  51  50.135   8.884 109.641
 2062   HG23  THR  51          HG23      THR  51  50.394  10.438 110.434
 2063    H    PHE  52           HN       PHE  52  52.484   8.301 107.149
 2064    HA   PHE  52           HA       PHE  52  50.742   5.921 106.877
 2065    HB2  PHE  52           HB2      PHE  52  53.689   6.408 106.417
 2066    HB3  PHE  52           HB1      PHE  52  52.963   4.804 106.408
 2067    HD1  PHE  52           HD2      PHE  52  53.120   8.077 104.675
 2068    HD2  PHE  52           HD1      PHE  52  51.606   4.057 104.586
 2069    HE1  PHE  52           HE2      PHE  52  52.578   8.317 102.259
 2070    HE2  PHE  52           HE1      PHE  52  51.080   4.307 102.178
 2071    HZ   PHE  52           HZ       PHE  52  51.565   6.439 101.017
 2072    H    THR  53           HN       THR  53  51.222   4.100 108.381
 2073    HA   THR  53           HA       THR  53  53.070   4.652 110.565
 2074    HB   THR  53           HB       THR  53  51.519   4.436 112.385
 2075    HG1  THR  53           HG1      THR  53  50.050   3.042 111.520
 2076   HG21  THR  53          HG21      THR  53  51.734   6.716 111.386
 2077   HG22  THR  53          HG22      THR  53  50.198   6.460 112.191
 2078   HG23  THR  53          HG23      THR  53  50.294   6.402 110.432
 2079    H    VAL  54           HN       VAL  54  54.093   2.702 111.168
 2080    HA   VAL  54           HA       VAL  54  52.694   0.185 110.397
 2081    HB   VAL  54           HB       VAL  54  54.774   0.550 109.133
 2082   HG11  VAL  54          HG11      VAL  54  56.210   0.402 111.789
 2083   HG12  VAL  54          HG12      VAL  54  55.836   1.926 110.993
 2084   HG13  VAL  54          HG13      VAL  54  56.901   0.759 110.209
 2085   HG21  VAL  54          HG21      VAL  54  55.080  -1.628 111.234
 2086   HG22  VAL  54          HG22      VAL  54  55.812  -1.614 109.630
 2087   HG23  VAL  54          HG23      VAL  54  54.063  -1.760 109.799
 2088    H    THR  55           HN       THR  55  52.055  -1.094 112.036
 2089    HA   THR  55           HA       THR  55  53.370  -0.828 114.683
 2090    HB   THR  55           HB       THR  55  50.983   0.186 114.356
 2091    HG1  THR  55           HG1      THR  55  50.834  -0.024 116.455
 2092   HG21  THR  55          HG21      THR  55  50.152  -1.992 113.282
 2093   HG22  THR  55          HG22      THR  55  49.135  -1.306 114.547
 2094   HG23  THR  55          HG23      THR  55  50.181  -2.681 114.905
 2095    H    GLU  56           HN       GLU  56  54.321  -2.681 115.387
 2096    HA   GLU  56           HA       GLU  56  53.295  -5.269 114.352
 2097    HB2  GLU  56           HB2      GLU  56  55.677  -5.991 115.291
 2098    HB3  GLU  56           HB1      GLU  56  55.520  -5.245 113.701
 2099    HG2  GLU  56           HG2      GLU  56  56.038  -3.051 114.638
 2100    HG3  GLU  56           HG1      GLU  56  56.133  -3.744 116.258
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  52.357  -1.653  99.656
    2    H2   MET   1           HT2      MET   1  53.770  -0.733  99.856
    3    H3   MET   1           HT3      MET   1  53.854  -2.428  99.849
    4    HA   MET   1           HA       MET   1  52.811  -0.945  97.537
    5    HB2  MET   1           HB2      MET   1  54.878  -0.297  96.797
    6    HB3  MET   1           HB1      MET   1  55.363  -0.449  98.474
    7    HG2  MET   1           HG2      MET   1  55.659  -2.588  96.337
    8    HG3  MET   1           HG1      MET   1  56.951  -1.634  97.055
    9    HE1  MET   1           HE1      MET   1  58.288  -2.295  98.920
   10    HE2  MET   1           HE2      MET   1  57.627  -2.915 100.427
   11    HE3  MET   1           HE3      MET   1  57.045  -1.387  99.782
   12    H    GLN   2           HN       GLN   2  53.539  -2.370  95.552
   13    HA   GLN   2           HA       GLN   2  52.877  -5.177  96.241
   14    HB2  GLN   2           HB2      GLN   2  52.087  -3.463  93.876
   15    HB3  GLN   2           HB1      GLN   2  51.855  -5.209  93.928
   16    HG2  GLN   2           HG2      GLN   2  50.383  -5.037  95.826
   17    HG3  GLN   2           HG1      GLN   2  50.766  -3.330  96.040
   18   HE21  GLN   2          HE21      GLN   2  48.264  -5.271  94.830
   19   HE22  GLN   2          HE22      GLN   2  47.641  -4.211  93.661
   20    H    TYR   3           HN       TYR   3  53.804  -6.805  95.101
   21    HA   TYR   3           HA       TYR   3  56.214  -6.160  93.511
   22    HB2  TYR   3           HB2      TYR   3  55.611  -8.541  95.258
   23    HB3  TYR   3           HB1      TYR   3  57.083  -8.291  94.325
   24    HD1  TYR   3           HD1      TYR   3  58.551  -6.328  94.844
   25    HD2  TYR   3           HD2      TYR   3  55.264  -7.470  97.351
   26    HE1  TYR   3           HE1      TYR   3  59.504  -4.997  96.702
   27    HE2  TYR   3           HE2      TYR   3  56.216  -6.129  99.207
   28    HH   TYR   3           HH       TYR   3  59.278  -5.148  99.376
   29    H    LYS   4           HN       LYS   4  56.469  -7.332  91.627
   30    HA   LYS   4           HA       LYS   4  54.120  -8.978  90.824
   31    HB2  LYS   4           HB2      LYS   4  54.159  -6.879  89.610
   32    HB3  LYS   4           HB1      LYS   4  55.853  -7.106  89.195
   33    HG2  LYS   4           HG2      LYS   4  55.293  -9.060  87.823
   34    HG3  LYS   4           HG1      LYS   4  53.599  -8.939  88.297
   35    HD2  LYS   4           HD2      LYS   4  54.814  -6.462  87.112
   36    HD3  LYS   4           HD1      LYS   4  54.584  -7.815  86.009
   37    HE2  LYS   4           HE2      LYS   4  52.323  -6.992  87.813
   38    HE3  LYS   4           HE1      LYS   4  52.642  -6.081  86.336
   39    HZ1  LYS   4           HZ1      LYS   4  51.554  -8.723  86.660
   40    HZ2  LYS   4           HZ2      LYS   4  52.797  -8.644  85.506
   41    HZ3  LYS   4           HZ3      LYS   4  51.428  -7.651  85.352
   42    H    LEU   5           HN       LEU   5  54.544 -11.045  90.356
   43    HA   LEU   5           HA       LEU   5  57.334 -11.823  89.780
   44    HB2  LEU   5           HB2      LEU   5  56.381 -12.939  91.737
   45    HB3  LEU   5           HB1      LEU   5  55.007 -13.457  90.800
   46    HG   LEU   5           HG       LEU   5  56.974 -15.131  91.328
   47   HD11  LEU   5          HD11      LEU   5  55.684 -14.980  88.606
   48   HD12  LEU   5          HD12      LEU   5  55.053 -15.779  90.041
   49   HD13  LEU   5          HD13      LEU   5  56.509 -16.387  89.262
   50   HD21  LEU   5          HD21      LEU   5  58.697 -13.578  90.213
   51   HD22  LEU   5          HD22      LEU   5  58.038 -14.156  88.696
   52   HD23  LEU   5          HD23      LEU   5  58.757 -15.283  89.823
   53    H    ILE   6           HN       ILE   6  57.817 -12.512  87.788
   54    HA   ILE   6           HA       ILE   6  55.637 -12.790  85.814
   55    HB   ILE   6           HB       ILE   6  58.627 -12.734  85.332
   56   HG12  ILE   6          HG12      ILE   6  57.916 -10.661  86.472
   57   HG13  ILE   6          HG11      ILE   6  58.375 -10.349  84.801
   58   HG21  ILE   6          HG21      ILE   6  56.205 -12.377  83.560
   59   HG22  ILE   6          HG22      ILE   6  57.392 -13.681  83.505
   60   HG23  ILE   6          HG23      ILE   6  57.858 -12.044  83.043
   61   HD11  ILE   6          HD11      ILE   6  56.376  -9.123  85.181
   62   HD12  ILE   6          HD12      ILE   6  55.604 -10.481  85.992
   63   HD13  ILE   6          HD13      ILE   6  55.881 -10.534  84.253
   64    H    LEU   7           HN       LEU   7  55.158 -14.716  84.962
   65    HA   LEU   7           HA       LEU   7  56.615 -17.042  85.983
   66    HB2  LEU   7           HB2      LEU   7  54.098 -16.751  84.339
   67    HB3  LEU   7           HB1      LEU   7  54.836 -18.298  84.703
   68    HG   LEU   7           HG       LEU   7  54.690 -17.052  87.227
   69   HD11  LEU   7          HD11      LEU   7  52.829 -15.829  87.471
   70   HD12  LEU   7          HD12      LEU   7  51.872 -16.845  86.425
   71   HD13  LEU   7          HD13      LEU   7  52.882 -15.582  85.742
   72   HD21  LEU   7          HD21      LEU   7  54.277 -19.350  86.983
   73   HD22  LEU   7          HD22      LEU   7  52.985 -19.085  85.831
   74   HD23  LEU   7          HD23      LEU   7  52.742 -18.685  87.525
   75    H    ASN   8           HN       ASN   8  58.308 -17.733  84.917
   76    HA   ASN   8           HA       ASN   8  58.174 -17.997  81.996
   77    HB2  ASN   8           HB2      ASN   8  60.763 -17.504  82.187
   78    HB3  ASN   8           HB1      ASN   8  59.617 -16.176  82.036
   79   HD21  ASN   8          HD21      ASN   8  62.339 -16.848  83.656
   80   HD22  ASN   8          HD22      ASN   8  62.022 -16.090  85.141
   81    H    GLY   9           HN       GLY   9  57.615 -20.178  82.484
   82    HA2  GLY   9           HA2      GLY   9  59.854 -21.799  83.595
   83    HA3  GLY   9           HA1      GLY   9  58.163 -22.174  83.901
   84    H    LYS  10           HN       LYS  10  58.626 -24.287  83.003
   85    HA   LYS  10           HA       LYS  10  59.475 -24.597  80.327
   86    HB2  LYS  10           HB2      LYS  10  57.648 -26.585  81.685
   87    HB3  LYS  10           HB1      LYS  10  58.970 -26.884  80.555
   88    HG2  LYS  10           HG2      LYS  10  60.377 -25.665  82.535
   89    HG3  LYS  10           HG1      LYS  10  59.076 -26.352  83.503
   90    HD2  LYS  10           HD2      LYS  10  59.567 -28.585  82.545
   91    HD3  LYS  10           HD1      LYS  10  60.891 -27.880  81.617
   92    HE2  LYS  10           HE2      LYS  10  61.974 -27.157  83.721
   93    HE3  LYS  10           HE1      LYS  10  60.658 -27.886  84.642
   94    HZ1  LYS  10           HZ1      LYS  10  61.398 -29.962  84.235
   95    HZ2  LYS  10           HZ2      LYS  10  62.892 -29.172  84.059
   96    HZ3  LYS  10           HZ3      LYS  10  61.980 -29.588  82.687
   97    H    THR  11           HN       THR  11  56.111 -24.643  81.710
   98    HA   THR  11           HA       THR  11  55.281 -23.385  79.253
   99    HB   THR  11           HB       THR  11  53.243 -25.181  80.348
  100    HG1  THR  11           HG1      THR  11  54.750 -26.694  80.656
  101   HG21  THR  11          HG21      THR  11  54.583 -24.754  77.694
  102   HG22  THR  11          HG22      THR  11  53.167 -23.888  78.292
  103   HG23  THR  11          HG23      THR  11  53.081 -25.603  77.952
  104    H    LEU  12           HN       LEU  12  55.532 -23.101  82.561
  105    HA   LEU  12           HA       LEU  12  52.931 -21.844  82.723
  106    HB2  LEU  12           HB2      LEU  12  54.943 -22.567  84.679
  107    HB3  LEU  12           HB1      LEU  12  54.404 -20.916  84.952
  108    HG   LEU  12           HG       LEU  12  52.762 -23.358  84.787
  109   HD11  LEU  12          HD11      LEU  12  52.067 -22.572  87.123
  110   HD12  LEU  12          HD12      LEU  12  53.501 -21.557  87.011
  111   HD13  LEU  12          HD13      LEU  12  53.650 -23.311  86.909
  112   HD21  LEU  12          HD21      LEU  12  50.755 -22.147  84.852
  113   HD22  LEU  12          HD22      LEU  12  51.677 -21.079  83.855
  114   HD23  LEU  12          HD23      LEU  12  51.519 -20.781  85.558
  115    H    LYS  13           HN       LYS  13  52.565 -19.930  81.776
  116    HA   LYS  13           HA       LYS  13  54.525 -17.794  82.286
  117    HB2  LYS  13           HB2      LYS  13  53.578 -18.545  79.516
  118    HB3  LYS  13           HB1      LYS  13  54.320 -16.999  79.899
  119    HG2  LYS  13           HG2      LYS  13  56.299 -18.006  79.418
  120    HG3  LYS  13           HG1      LYS  13  56.151 -18.770  80.991
  121    HD2  LYS  13           HD2      LYS  13  54.697 -20.546  79.613
  122    HD3  LYS  13           HD1      LYS  13  55.637 -19.917  78.260
  123    HE2  LYS  13           HE2      LYS  13  56.925 -21.724  79.075
  124    HE3  LYS  13           HE1      LYS  13  57.698 -20.304  79.781
  125    HZ1  LYS  13           HZ1      LYS  13  57.039 -20.866  81.830
  126    HZ2  LYS  13           HZ2      LYS  13  56.846 -22.423  81.188
  127    HZ3  LYS  13           HZ3      LYS  13  55.514 -21.381  81.319
  128    H    GLY  14           HN       GLY  14  53.653 -15.986  82.820
  129    HA2  GLY  14           HA2      GLY  14  51.546 -14.573  81.746
  130    HA3  GLY  14           HA1      GLY  14  50.853 -15.528  83.033
  131    H    GLU  15           HN       GLU  15  50.483 -13.618  84.470
  132    HA   GLU  15           HA       GLU  15  53.067 -12.660  85.623
  133    HB2  GLU  15           HB2      GLU  15  50.599 -10.950  85.625
  134    HB3  GLU  15           HB1      GLU  15  52.249 -10.495  86.000
  135    HG2  GLU  15           HG2      GLU  15  51.471 -11.509  83.276
  136    HG3  GLU  15           HG1      GLU  15  51.333  -9.814  83.714
  137    H    THR  16           HN       THR  16  52.913 -11.898  87.874
  138    HA   THR  16           HA       THR  16  50.648 -12.897  89.432
  139    HB   THR  16           HB       THR  16  52.804 -13.774  90.966
  140    HG1  THR  16           HG1      THR  16  53.212 -14.163  88.219
  141   HG21  THR  16          HG21      THR  16  51.973 -16.038  90.345
  142   HG22  THR  16          HG22      THR  16  50.950 -15.276  89.127
  143   HG23  THR  16          HG23      THR  16  50.700 -14.920  90.836
  144    H    THR  17           HN       THR  17  50.382 -11.833  91.418
  145    HA   THR  17           HA       THR  17  52.447  -9.897  92.191
  146    HB   THR  17           HB       THR  17  49.645  -8.851  91.926
  147    HG1  THR  17           HG1      THR  17  51.551  -8.550  89.888
  148   HG21  THR  17          HG21      THR  17  52.285  -7.443  91.521
  149   HG22  THR  17          HG22      THR  17  51.591  -7.650  93.125
  150   HG23  THR  17          HG23      THR  17  50.721  -6.738  91.906
  151    H    THR  18           HN       THR  18  52.054  -8.835  94.248
  152    HA   THR  18           HA       THR  18  50.024  -9.904  95.990
  153    HB   THR  18           HB       THR  18  51.975 -11.577  95.960
  154    HG1  THR  18           HG1      THR  18  51.188 -12.021  97.835
  155   HG21  THR  18          HG21      THR  18  53.987 -11.007  97.038
  156   HG22  THR  18          HG22      THR  18  53.306  -9.538  97.730
  157   HG23  THR  18          HG23      THR  18  53.665  -9.614  96.007
  158    H    GLU  19           HN       GLU  19  49.890  -8.713  97.946
  159    HA   GLU  19           HA       GLU  19  51.111  -6.021  97.813
  160    HB2  GLU  19           HB2      GLU  19  48.694  -5.994  97.828
  161    HB3  GLU  19           HB1      GLU  19  48.636  -7.145  99.161
  162    HG2  GLU  19           HG2      GLU  19  48.213  -4.765  99.841
  163    HG3  GLU  19           HG1      GLU  19  49.561  -5.518 100.690
  164    H    ALA  20           HN       ALA  20  52.844  -5.716  99.175
  165    HA   ALA  20           HA       ALA  20  52.746  -6.869 101.864
  166    HB1  ALA  20           HB1      ALA  20  53.836  -8.715 100.955
  167    HB2  ALA  20           HB2      ALA  20  55.219  -7.695 101.344
  168    HB3  ALA  20           HB3      ALA  20  54.614  -7.764  99.691
  169    H    VAL  21           HN       VAL  21  54.433  -6.125 103.230
  170    HA   VAL  21           HA       VAL  21  55.196  -3.371 102.680
  171    HB   VAL  21           HB       VAL  21  54.406  -3.517 104.880
  172   HG11  VAL  21          HG11      VAL  21  54.916  -5.559 106.286
  173   HG12  VAL  21          HG12      VAL  21  55.588  -6.289 104.831
  174   HG13  VAL  21          HG13      VAL  21  53.884  -5.834 104.888
  175   HG21  VAL  21          HG21      VAL  21  56.932  -2.864 104.836
  176   HG22  VAL  21          HG22      VAL  21  57.218  -4.481 105.470
  177   HG23  VAL  21          HG23      VAL  21  56.247  -3.339 106.387
  178    H    ASP  22           HN       ASP  22  56.503  -6.565 103.325
  179    HA   ASP  22           HA       ASP  22  59.233  -5.518 102.873
  180    HB2  ASP  22           HB2      ASP  22  58.771  -6.945 104.872
  181    HB3  ASP  22           HB1      ASP  22  58.454  -8.274 103.763
  182    H    ALA  23           HN       ALA  23  60.598  -6.392 101.430
  183    HA   ALA  23           HA       ALA  23  59.444  -7.329  98.977
  184    HB1  ALA  23           HB1      ALA  23  61.922  -7.558  98.374
  185    HB2  ALA  23           HB2      ALA  23  62.249  -6.837  99.945
  186    HB3  ALA  23           HB3      ALA  23  61.334  -5.939  98.735
  187    H    ALA  24           HN       ALA  24  61.530  -8.756 101.488
  188    HA   ALA  24           HA       ALA  24  61.793 -11.298 100.272
  189    HB1  ALA  24           HB1      ALA  24  63.262 -10.501 102.113
  190    HB2  ALA  24           HB2      ALA  24  62.558 -12.080 102.462
  191    HB3  ALA  24           HB3      ALA  24  61.904 -10.634 103.231
  192    H    THR  25           HN       THR  25  59.295 -10.108 102.711
  193    HA   THR  25           HA       THR  25  58.000 -12.579 103.082
  194    HB   THR  25           HB       THR  25  57.625 -10.318 104.349
  195    HG1  THR  25           HG1      THR  25  56.402 -12.534 104.238
  196   HG21  THR  25          HG21      THR  25  55.137 -10.039 102.706
  197   HG22  THR  25          HG22      THR  25  56.615  -9.383 102.010
  198   HG23  THR  25          HG23      THR  25  56.046  -8.799 103.572
  199    H    ALA  26           HN       ALA  26  57.854 -10.287 100.434
  200    HA   ALA  26           HA       ALA  26  55.422 -11.203  99.282
  201    HB1  ALA  26           HB1      ALA  26  57.716  -9.968  97.751
  202    HB2  ALA  26           HB2      ALA  26  56.656  -9.015  98.789
  203    HB3  ALA  26           HB3      ALA  26  55.991  -9.868  97.397
  204    H    GLU  27           HN       GLU  27  58.747 -12.162  99.017
  205    HA   GLU  27           HA       GLU  27  58.446 -13.936  96.806
  206    HB2  GLU  27           HB2      GLU  27  60.715 -14.050  96.912
  207    HB3  GLU  27           HB1      GLU  27  60.587 -12.819  98.163
  208    HG2  GLU  27           HG2      GLU  27  60.419 -14.654  99.867
  209    HG3  GLU  27           HG1      GLU  27  60.714 -15.815  98.587
  210    H    LYS  28           HN       LYS  28  58.082 -14.280 100.267
  211    HA   LYS  28           HA       LYS  28  58.299 -17.040 100.558
  212    HB2  LYS  28           HB2      LYS  28  56.429 -15.054 101.876
  213    HB3  LYS  28           HB1      LYS  28  56.593 -16.729 102.402
  214    HG2  LYS  28           HG2      LYS  28  59.041 -16.343 102.669
  215    HG3  LYS  28           HG1      LYS  28  58.780 -14.640 102.307
  216    HD2  LYS  28           HD2      LYS  28  57.170 -14.552 104.251
  217    HD3  LYS  28           HD1      LYS  28  57.635 -16.208 104.648
  218    HE2  LYS  28           HE2      LYS  28  59.870 -15.581 105.183
  219    HE3  LYS  28           HE1      LYS  28  59.733 -14.039 104.350
  220    HZ1  LYS  28           HZ1      LYS  28  57.783 -13.912 106.375
  221    HZ2  LYS  28           HZ2      LYS  28  59.285 -13.120 106.402
  222    HZ3  LYS  28           HZ3      LYS  28  59.115 -14.641 107.138
  223    H    VAL  29           HN       VAL  29  55.532 -15.074  99.538
  224    HA   VAL  29           HA       VAL  29  53.770 -17.300  99.231
  225    HB   VAL  29           HB       VAL  29  53.577 -14.618  97.850
  226   HG11  VAL  29          HG11      VAL  29  51.531 -16.680  98.727
  227   HG12  VAL  29          HG12      VAL  29  52.002 -16.321  97.066
  228   HG13  VAL  29          HG13      VAL  29  51.144 -15.112  98.020
  229   HG21  VAL  29          HG21      VAL  29  52.835 -15.466 100.664
  230   HG22  VAL  29          HG22      VAL  29  52.160 -14.035  99.885
  231   HG23  VAL  29          HG23      VAL  29  53.894 -14.139 100.186
  232    H    PHE  30           HN       PHE  30  55.570 -15.294  96.895
  233    HA   PHE  30           HA       PHE  30  54.845 -16.679  94.580
  234    HB2  PHE  30           HB2      PHE  30  57.332 -15.092  95.132
  235    HB3  PHE  30           HB1      PHE  30  56.803 -15.612  93.546
  236    HD1  PHE  30           HD2      PHE  30  54.006 -15.077  93.300
  237    HD2  PHE  30           HD1      PHE  30  56.950 -12.826  95.483
  238    HE1  PHE  30           HE2      PHE  30  52.596 -13.054  93.144
  239    HE2  PHE  30           HE1      PHE  30  55.544 -10.821  95.301
  240    HZ   PHE  30           HZ       PHE  30  53.371 -10.926  94.128
  241    H    LYS  31           HN       LYS  31  57.770 -17.137  96.619
  242    HA   LYS  31           HA       LYS  31  58.824 -19.097  94.820
  243    HB2  LYS  31           HB2      LYS  31  59.559 -17.968  97.451
  244    HB3  LYS  31           HB1      LYS  31  60.170 -19.569  97.134
  245    HG2  LYS  31           HG2      LYS  31  61.407 -18.861  95.253
  246    HG3  LYS  31           HG1      LYS  31  60.454 -17.409  95.064
  247    HD2  LYS  31           HD2      LYS  31  61.656 -16.221  96.597
  248    HD3  LYS  31           HD1      LYS  31  61.831 -17.599  97.668
  249    HE2  LYS  31           HE2      LYS  31  63.453 -18.114  95.360
  250    HE3  LYS  31           HE1      LYS  31  63.791 -16.482  95.919
  251    HZ1  LYS  31           HZ1      LYS  31  63.533 -18.636  97.890
  252    HZ2  LYS  31           HZ2      LYS  31  64.437 -17.199  97.965
  253    HZ3  LYS  31           HZ3      LYS  31  64.973 -18.494  97.005
  254    H    GLN  32           HN       GLN  32  56.836 -19.231  97.727
  255    HA   GLN  32           HA       GLN  32  56.875 -22.101  97.897
  256    HB2  GLN  32           HB2      GLN  32  56.361 -20.509  99.793
  257    HB3  GLN  32           HB1      GLN  32  54.809 -20.203  99.012
  258    HG2  GLN  32           HG2      GLN  32  54.384 -22.685  99.055
  259    HG3  GLN  32           HG1      GLN  32  55.844 -22.862 100.027
  260   HE21  GLN  32          HE21      GLN  32  52.490 -22.614 100.333
  261   HE22  GLN  32          HE22      GLN  32  52.411 -21.953 101.895
  262    H    TYR  33           HN       TYR  33  54.938 -19.636  96.365
  263    HA   TYR  33           HA       TYR  33  52.732 -21.233  95.577
  264    HB2  TYR  33           HB2      TYR  33  52.453 -18.888  95.640
  265    HB3  TYR  33           HB1      TYR  33  53.926 -18.630  94.716
  266    HD1  TYR  33           HD1      TYR  33  50.428 -19.748  94.550
  267    HD2  TYR  33           HD2      TYR  33  53.974 -18.795  92.321
  268    HE1  TYR  33           HE1      TYR  33  49.104 -19.724  92.455
  269    HE2  TYR  33           HE2      TYR  33  52.650 -18.774  90.224
  270    HH   TYR  33           HH       TYR  33  49.614 -18.379  89.977
  271    H    ALA  34           HN       ALA  34  55.837 -20.423  94.150
  272    HA   ALA  34           HA       ALA  34  55.401 -21.286  91.524
  273    HB1  ALA  34           HB1      ALA  34  57.811 -20.976  93.280
  274    HB2  ALA  34           HB2      ALA  34  57.410 -20.138  91.782
  275    HB3  ALA  34           HB3      ALA  34  57.996 -21.799  91.734
  276    H    ASN  35           HN       ASN  35  56.272 -23.163  94.488
  277    HA   ASN  35           HA       ASN  35  56.808 -25.590  93.150
  278    HB2  ASN  35           HB2      ASN  35  57.145 -24.765  95.675
  279    HB3  ASN  35           HB1      ASN  35  55.605 -25.590  95.895
  280   HD21  ASN  35          HD21      ASN  35  55.929 -27.805  96.523
  281   HD22  ASN  35          HD22      ASN  35  57.230 -28.762  96.000
  282    H    ASP  36           HN       ASP  36  53.866 -24.206  94.606
  283    HA   ASP  36           HA       ASP  36  52.152 -26.399  94.051
  284    HB2  ASP  36           HB2      ASP  36  51.192 -23.548  94.209
  285    HB3  ASP  36           HB1      ASP  36  50.425 -25.016  94.818
  286    H    ASN  37           HN       ASN  37  53.416 -23.830  92.106
  287    HA   ASN  37           HA       ASN  37  51.333 -24.079  90.089
  288    HB2  ASN  37           HB2      ASN  37  53.334 -22.144  90.898
  289    HB3  ASN  37           HB1      ASN  37  53.434 -22.420  89.174
  290   HD21  ASN  37          HD21      ASN  37  52.345 -20.615  88.305
  291   HD22  ASN  37          HD22      ASN  37  50.768 -20.163  88.740
  292    H    GLY  38           HN       GLY  38  54.623 -25.276  90.605
  293    HA2  GLY  38           HA2      GLY  38  55.303 -27.276  89.456
  294    HA3  GLY  38           HA1      GLY  38  54.379 -26.761  88.055
  295    H    VAL  39           HN       VAL  39  55.769 -23.945  88.718
  296    HA   VAL  39           HA       VAL  39  58.168 -24.557  87.080
  297    HB   VAL  39           HB       VAL  39  56.804 -23.006  85.933
  298   HG11  VAL  39          HG11      VAL  39  55.780 -21.087  86.883
  299   HG12  VAL  39          HG12      VAL  39  56.691 -21.247  88.379
  300   HG13  VAL  39          HG13      VAL  39  55.436 -22.406  87.985
  301   HG21  VAL  39          HG21      VAL  39  58.117 -20.952  85.856
  302   HG22  VAL  39          HG22      VAL  39  59.189 -22.330  86.030
  303   HG23  VAL  39          HG23      VAL  39  58.837 -21.315  87.417
  304    H    ASP  40           HN       ASP  40  59.890 -24.859  88.297
  305    HA   ASP  40           HA       ASP  40  60.526 -22.869  90.410
  306    HB2  ASP  40           HB2      ASP  40  59.847 -25.253  91.189
  307    HB3  ASP  40           HB1      ASP  40  61.400 -25.757  90.531
  308    H    GLY  41           HN       GLY  41  62.214 -21.644  89.532
  309    HA2  GLY  41           HA2      GLY  41  64.510 -23.163  88.449
  310    HA3  GLY  41           HA1      GLY  41  63.799 -21.895  87.471
  311    H    GLU  42           HN       GLU  42  65.811 -20.667  87.491
  312    HA   GLU  42           HA       GLU  42  66.977 -19.887  89.961
  313    HB2  GLU  42           HB2      GLU  42  67.458 -18.358  87.442
  314    HB3  GLU  42           HB1      GLU  42  68.602 -18.844  88.685
  315    HG2  GLU  42           HG2      GLU  42  67.348 -20.616  86.570
  316    HG3  GLU  42           HG1      GLU  42  69.047 -20.188  86.727
  317    H    TRP  43           HN       TRP  43  66.911 -17.780  90.863
  318    HA   TRP  43           HA       TRP  43  64.487 -16.234  90.135
  319    HB2  TRP  43           HB2      TRP  43  65.687 -16.894  92.812
  320    HB3  TRP  43           HB1      TRP  43  64.401 -15.711  92.579
  321    HD1  TRP  43           HD1      TRP  43  65.032 -19.528  92.229
  322    HE1  TRP  43           HE1      TRP  43  62.725 -20.686  92.247
  323    HE3  TRP  43           HE3      TRP  43  62.066 -15.439  92.260
  324    HZ2  TRP  43           HZ2      TRP  43  59.946 -19.928  92.303
  325    HZ3  TRP  43           HZ3      TRP  43  59.626 -15.652  92.317
  326    HH2  TRP  43           HH2      TRP  43  58.549 -17.880  92.341
  327    H    THR  44           HN       THR  44  64.514 -14.191  90.175
  328    HA   THR  44           HA       THR  44  66.813 -12.696  91.153
  329    HB   THR  44           HB       THR  44  67.070 -12.717  88.767
  330    HG1  THR  44           HG1      THR  44  67.552 -10.763  89.261
  331   HG21  THR  44          HG21      THR  44  64.109 -12.233  88.826
  332   HG22  THR  44          HG22      THR  44  65.027 -13.389  87.866
  333   HG23  THR  44          HG23      THR  44  65.055 -11.677  87.451
  334    H    TYR  45           HN       TYR  45  66.186 -10.387  91.830
  335    HA   TYR  45           HA       TYR  45  63.263 -10.134  91.987
  336    HB2  TYR  45           HB2      TYR  45  63.533 -11.054  94.101
  337    HB3  TYR  45           HB1      TYR  45  65.099 -10.282  94.336
  338    HD1  TYR  45           HD1      TYR  45  61.815  -8.831  93.175
  339    HD2  TYR  45           HD2      TYR  45  64.906  -8.849  96.158
  340    HE1  TYR  45           HE1      TYR  45  60.783  -6.869  94.267
  341    HE2  TYR  45           HE2      TYR  45  63.867  -6.895  97.248
  342    HH   TYR  45           HH       TYR  45  62.213  -5.449  97.213
  343    H    ASP  46           HN       ASP  46  62.723  -8.275  91.200
  344    HA   ASP  46           HA       ASP  46  64.762  -6.219  91.222
  345    HB2  ASP  46           HB2      ASP  46  63.146  -6.574  89.139
  346    HB3  ASP  46           HB1      ASP  46  61.980  -5.724  90.145
  347    H    ASP  47           HN       ASP  47  65.028  -5.113  93.009
  348    HA   ASP  47           HA       ASP  47  62.597  -4.517  94.625
  349    HB2  ASP  47           HB2      ASP  47  64.946  -5.350  95.606
  350    HB3  ASP  47           HB1      ASP  47  65.322  -3.631  95.494
  351    H    ALA  48           HN       ALA  48  64.465  -3.459  92.240
  352    HA   ALA  48           HA       ALA  48  64.557  -0.649  92.742
  353    HB1  ALA  48           HB1      ALA  48  65.924  -0.683  90.869
  354    HB2  ALA  48           HB2      ALA  48  64.932  -1.875  90.036
  355    HB3  ALA  48           HB3      ALA  48  66.038  -2.386  91.311
  356    H    THR  49           HN       THR  49  62.377  -2.911  91.165
  357    HA   THR  49           HA       THR  49  60.429  -0.805  90.491
  358    HB   THR  49           HB       THR  49  59.797  -2.477  88.548
  359    HG1  THR  49           HG1      THR  49  62.529  -3.044  88.575
  360   HG21  THR  49          HG21      THR  49  62.212  -0.683  88.524
  361   HG22  THR  49          HG22      THR  49  60.576  -0.316  87.974
  362   HG23  THR  49          HG23      THR  49  61.580  -1.449  87.068
  363    H    LYS  50           HN       LYS  50  61.109  -3.363  92.470
  364    HA   LYS  50           HA       LYS  50  59.831  -4.837  93.668
  365    HB2  LYS  50           HB2      LYS  50  57.365  -3.455  92.612
  366    HB3  LYS  50           HB1      LYS  50  57.586  -4.263  94.160
  367    HG2  LYS  50           HG2      LYS  50  59.080  -1.737  93.386
  368    HG3  LYS  50           HG1      LYS  50  57.562  -1.737  94.272
  369    HD2  LYS  50           HD2      LYS  50  58.541  -3.020  96.068
  370    HD3  LYS  50           HD1      LYS  50  60.048  -3.207  95.178
  371    HE2  LYS  50           HE2      LYS  50  60.307  -0.731  95.178
  372    HE3  LYS  50           HE1      LYS  50  58.870  -0.624  96.191
  373    HZ1  LYS  50           HZ1      LYS  50  60.731  -0.616  97.623
  374    HZ2  LYS  50           HZ2      LYS  50  61.435  -1.949  96.840
  375    HZ3  LYS  50           HZ3      LYS  50  60.024  -2.151  97.764
  376    H    THR  51           HN       THR  51  60.738  -5.938  91.378
  377    HA   THR  51           HA       THR  51  58.396  -7.524  90.475
  378    HB   THR  51           HB       THR  51  60.385  -6.212  88.594
  379    HG1  THR  51           HG1      THR  51  58.165  -5.631  87.735
  380   HG21  THR  51          HG21      THR  51  58.346  -8.403  88.158
  381   HG22  THR  51          HG22      THR  51  60.057  -8.415  87.734
  382   HG23  THR  51          HG23      THR  51  58.935  -7.391  86.839
  383    H    PHE  52           HN       PHE  52  58.734  -9.698  90.601
  384    HA   PHE  52           HA       PHE  52  61.489 -10.737  90.800
  385    HB2  PHE  52           HB2      PHE  52  58.796 -11.812  91.623
  386    HB3  PHE  52           HB1      PHE  52  60.285 -12.748  91.722
  387    HD1  PHE  52           HD1      PHE  52  58.812  -9.457  92.805
  388    HD2  PHE  52           HD2      PHE  52  61.526 -12.673  93.691
  389    HE1  PHE  52           HE1      PHE  52  59.216  -8.522  95.074
  390    HE2  PHE  52           HE2      PHE  52  61.920 -11.723  95.942
  391    HZ   PHE  52           HZ       PHE  52  60.758  -9.652  96.634
  392    H    THR  53           HN       THR  53  62.023 -12.711  89.583
  393    HA   THR  53           HA       THR  53  60.045 -13.638  87.637
  394    HB   THR  53           HB       THR  53  61.438 -13.394  85.680
  395    HG1  THR  53           HG1      THR  53  63.411 -13.518  87.002
  396   HG21  THR  53          HG21      THR  53  61.215 -11.085  85.301
  397   HG22  THR  53          HG22      THR  53  61.583 -10.681  86.977
  398   HG23  THR  53          HG23      THR  53  60.043 -11.405  86.559
  399    H    VAL  54           HN       VAL  54  60.180 -15.920  87.458
  400    HA   VAL  54           HA       VAL  54  62.696 -17.166  88.422
  401    HB   VAL  54           HB       VAL  54  60.746 -17.641  89.847
  402   HG11  VAL  54          HG11      VAL  54  59.125 -17.467  87.864
  403   HG12  VAL  54          HG12      VAL  54  58.815 -18.770  89.011
  404   HG13  VAL  54          HG13      VAL  54  59.594 -19.120  87.471
  405   HG21  VAL  54          HG21      VAL  54  61.080 -20.051  89.937
  406   HG22  VAL  54          HG22      VAL  54  62.614 -19.317  89.472
  407   HG23  VAL  54          HG23      VAL  54  61.602 -20.089  88.252
  408    H    THR  55           HN       THR  55  63.864 -18.350  86.987
  409    HA   THR  55           HA       THR  55  62.550 -19.287  84.490
  410    HB   THR  55           HB       THR  55  64.226 -17.249  84.437
  411    HG1  THR  55           HG1      THR  55  64.464 -19.486  82.712
  412   HG21  THR  55          HG21      THR  55  66.548 -17.827  84.262
  413   HG22  THR  55          HG22      THR  55  66.199 -19.544  84.253
  414   HG23  THR  55          HG23      THR  55  65.972 -18.600  85.722
  415    H    GLU  56           HN       GLU  56  62.650 -21.495  84.166
  416    HA   GLU  56           HA       GLU  56  64.828 -22.997  85.531
  417    HB2  GLU  56           HB2      GLU  56  63.089 -24.949  85.106
  418    HB3  GLU  56           HB1      GLU  56  62.903 -23.873  86.492
  419    HG2  GLU  56           HG2      GLU  56  61.330 -22.490  85.265
  420    HG3  GLU  56           HG1      GLU  56  61.561 -23.459  83.811
  421    H1   MET   1           HT1      MET   1  68.877 -24.134  70.123
  422    H2   MET   1           HT2      MET   1  70.322 -24.284  69.244
  423    H3   MET   1           HT3      MET   1  69.670 -22.747  69.554
  424    HA   MET   1           HA       MET   1  70.535 -24.598  71.692
  425    HB2  MET   1           HB2      MET   1  72.722 -23.997  71.400
  426    HB3  MET   1           HB1      MET   1  72.232 -23.433  69.811
  427    HG2  MET   1           HG2      MET   1  72.371 -21.746  72.338
  428    HG3  MET   1           HG1      MET   1  73.485 -21.685  70.978
  429    HE1  MET   1           HE1      MET   1  73.323 -20.227  69.104
  430    HE2  MET   1           HE2      MET   1  71.844 -19.923  68.206
  431    HE3  MET   1           HE3      MET   1  72.396 -21.573  68.433
  432    H    GLN   2           HN       GLN   2  71.149 -23.068  73.653
  433    HA   GLN   2           HA       GLN   2  68.993 -21.044  73.928
  434    HB2  GLN   2           HB2      GLN   2  70.069 -23.072  75.896
  435    HB3  GLN   2           HB1      GLN   2  69.080 -21.698  76.385
  436    HG2  GLN   2           HG2      GLN   2  67.225 -22.456  75.057
  437    HG3  GLN   2           HG1      GLN   2  68.213 -23.690  74.275
  438   HE21  GLN   2          HE21      GLN   2  65.896 -23.350  76.785
  439   HE22  GLN   2          HE22      GLN   2  66.321 -24.715  77.701
  440    H    TYR   3           HN       TYR   3  69.402 -19.230  75.138
  441    HA   TYR   3           HA       TYR   3  72.243 -18.600  75.686
  442    HB2  TYR   3           HB2      TYR   3  69.964 -16.784  74.920
  443    HB3  TYR   3           HB1      TYR   3  71.621 -16.280  75.251
  444    HD1  TYR   3           HD1      TYR   3  73.480 -17.169  73.813
  445    HD2  TYR   3           HD2      TYR   3  69.340 -17.656  72.804
  446    HE1  TYR   3           HE1      TYR   3  74.103 -17.583  71.454
  447    HE2  TYR   3           HE2      TYR   3  69.967 -18.085  70.443
  448    HH   TYR   3           HH       TYR   3  72.809 -17.263  69.142
  449    H    LYS   4           HN       LYS   4  72.683 -17.616  77.629
  450    HA   LYS   4           HA       LYS   4  70.416 -17.477  79.557
  451    HB2  LYS   4           HB2      LYS   4  71.881 -19.330  80.091
  452    HB3  LYS   4           HB1      LYS   4  73.301 -18.301  79.963
  453    HG2  LYS   4           HG2      LYS   4  72.573 -17.001  81.917
  454    HG3  LYS   4           HG1      LYS   4  71.089 -17.947  82.021
  455    HD2  LYS   4           HD2      LYS   4  73.656 -19.506  82.016
  456    HD3  LYS   4           HD1      LYS   4  73.332 -18.550  83.458
  457    HE2  LYS   4           HE2      LYS   4  71.157 -20.303  82.344
  458    HE3  LYS   4           HE1      LYS   4  72.442 -21.016  83.322
  459    HZ1  LYS   4           HZ1      LYS   4  70.266 -19.310  84.115
  460    HZ2  LYS   4           HZ2      LYS   4  71.771 -18.813  84.728
  461    HZ3  LYS   4           HZ3      LYS   4  71.198 -20.382  85.042
  462    H    LEU   5           HN       LEU   5  70.030 -15.522  80.413
  463    HA   LEU   5           HA       LEU   5  72.148 -13.460  80.238
  464    HB2  LEU   5           HB2      LEU   5  70.121 -12.856  79.036
  465    HB3  LEU   5           HB1      LEU   5  69.139 -13.227  80.424
  466    HG   LEU   5           HG       LEU   5  69.692 -10.730  79.825
  467   HD11  LEU   5          HD11      LEU   5  69.853 -11.720  82.671
  468   HD12  LEU   5          HD12      LEU   5  68.390 -11.350  81.762
  469   HD13  LEU   5          HD13      LEU   5  69.521 -10.066  82.175
  470   HD21  LEU   5          HD21      LEU   5  72.223 -11.223  79.916
  471   HD22  LEU   5          HD22      LEU   5  72.024 -11.149  81.658
  472   HD23  LEU   5          HD23      LEU   5  71.627  -9.760  80.672
  473    H    ILE   6           HN       ILE   6  73.035 -12.745  82.089
  474    HA   ILE   6           HA       ILE   6  71.983 -13.780  84.647
  475    HB   ILE   6           HB       ILE   6  74.565 -12.284  84.143
  476   HG12  ILE   6          HG12      ILE   6  74.490 -14.324  82.753
  477   HG13  ILE   6          HG11      ILE   6  75.676 -14.473  84.046
  478   HG21  ILE   6          HG21      ILE   6  73.543 -14.003  86.406
  479   HG22  ILE   6          HG22      ILE   6  73.899 -12.277  86.448
  480   HG23  ILE   6          HG23      ILE   6  75.209 -13.444  86.272
  481   HD11  ILE   6          HD11      ILE   6  74.503 -16.537  83.987
  482   HD12  ILE   6          HD12      ILE   6  72.940 -15.737  83.856
  483   HD13  ILE   6          HD13      ILE   6  73.841 -15.672  85.369
  484    H    LEU   7           HN       LEU   7  71.077 -12.473  86.096
  485    HA   LEU   7           HA       LEU   7  70.732  -9.659  85.363
  486    HB2  LEU   7           HB2      LEU   7  69.562 -11.381  87.549
  487    HB3  LEU   7           HB1      LEU   7  69.269  -9.658  87.428
  488    HG   LEU   7           HG       LEU   7  68.721 -10.620  84.823
  489   HD11  LEU   7          HD11      LEU   7  67.444 -12.526  84.943
  490   HD12  LEU   7          HD12      LEU   7  67.110 -12.352  86.650
  491   HD13  LEU   7          HD13      LEU   7  68.686 -12.918  86.122
  492   HD21  LEU   7          HD21      LEU   7  67.526  -8.882  86.099
  493   HD22  LEU   7          HD22      LEU   7  66.792 -10.141  87.078
  494   HD23  LEU   7          HD23      LEU   7  66.431 -10.045  85.361
  495    H    ASN   8           HN       ASN   8  72.185  -8.265  85.995
  496    HA   ASN   8           HA       ASN   8  73.161  -8.331  88.764
  497    HB2  ASN   8           HB2      ASN   8  75.353  -7.397  87.656
  498    HB3  ASN   8           HB1      ASN   8  75.089  -9.137  87.734
  499   HD21  ASN   8          HD21      ASN   8  76.247  -6.921  85.644
  500   HD22  ASN   8          HD22      ASN   8  75.730  -7.586  84.170
  501    H    GLY   9           HN       GLY   9  71.537  -6.719  89.108
  502    HA2  GLY   9           HA2      GLY   9  72.123  -4.099  87.813
  503    HA3  GLY   9           HA1      GLY   9  70.491  -4.635  88.188
  504    H    LYS  10           HN       LYS  10  70.251  -2.683  89.422
  505    HA   LYS  10           HA       LYS  10  71.906  -2.148  91.663
  506    HB2  LYS  10           HB2      LYS  10  69.019  -1.269  91.516
  507    HB3  LYS  10           HB1      LYS  10  70.405  -0.421  92.207
  508    HG2  LYS  10           HG2      LYS  10  71.278  -0.609  89.646
  509    HG3  LYS  10           HG1      LYS  10  69.543  -0.632  89.341
  510    HD2  LYS  10           HD2      LYS  10  69.314   1.463  90.659
  511    HD3  LYS  10           HD1      LYS  10  71.065   1.493  90.874
  512    HE2  LYS  10           HE2      LYS  10  71.364   1.578  88.425
  513    HE3  LYS  10           HE1      LYS  10  69.615   1.556  88.211
  514    HZ1  LYS  10           HZ1      LYS  10  69.409   3.684  88.884
  515    HZ2  LYS  10           HZ2      LYS  10  71.020   3.791  88.355
  516    HZ3  LYS  10           HZ3      LYS  10  70.676   3.583  90.006
  517    H    THR  11           HN       THR  11  68.643  -3.733  91.456
  518    HA   THR  11           HA       THR  11  69.489  -5.357  93.685
  519    HB   THR  11           HB       THR  11  66.606  -4.773  93.677
  520    HG1  THR  11           HG1      THR  11  67.048  -2.694  93.346
  521   HG21  THR  11          HG21      THR  11  68.836  -4.635  95.678
  522   HG22  THR  11          HG22      THR  11  67.906  -6.082  95.285
  523   HG23  THR  11          HG23      THR  11  67.128  -4.704  96.033
  524    H    LEU  12           HN       LEU  12  68.512  -5.290  90.473
  525    HA   LEU  12           HA       LEU  12  66.974  -7.722  90.836
  526    HB2  LEU  12           HB2      LEU  12  67.478  -5.966  88.573
  527    HB3  LEU  12           HB1      LEU  12  67.671  -7.647  88.099
  528    HG   LEU  12           HG       LEU  12  65.347  -6.380  89.359
  529   HD11  LEU  12          HD11      LEU  12  64.210  -7.343  87.245
  530   HD12  LEU  12          HD12      LEU  12  65.859  -7.417  86.649
  531   HD13  LEU  12          HD13      LEU  12  65.170  -5.876  87.130
  532   HD21  LEU  12          HD21      LEU  12  64.205  -8.434  89.590
  533   HD22  LEU  12          HD22      LEU  12  65.800  -8.887  90.084
  534   HD23  LEU  12          HD23      LEU  12  65.258  -9.210  88.470
  535    H    LYS  13           HN       LYS  13  67.945  -9.643  91.278
  536    HA   LYS  13           HA       LYS  13  70.264 -10.356  89.609
  537    HB2  LYS  13           HB2      LYS  13  70.339 -10.418  92.629
  538    HB3  LYS  13           HB1      LYS  13  71.464 -11.314  91.621
  539    HG2  LYS  13           HG2      LYS  13  72.764  -9.453  91.704
  540    HG3  LYS  13           HG1      LYS  13  71.656  -8.783  90.521
  541    HD2  LYS  13           HD2      LYS  13  70.263  -8.132  92.726
  542    HD3  LYS  13           HD1      LYS  13  71.861  -8.232  93.467
  543    HE2  LYS  13           HE2      LYS  13  71.667  -5.975  92.776
  544    HE3  LYS  13           HE1      LYS  13  72.641  -6.731  91.512
  545    HZ1  LYS  13           HZ1      LYS  13  70.977  -6.586  90.019
  546    HZ2  LYS  13           HZ2      LYS  13  70.451  -5.316  91.014
  547    HZ3  LYS  13           HZ3      LYS  13  69.769  -6.860  91.168
  548    H    GLY  14           HN       GLY  14  70.179 -12.296  88.882
  549    HA2  GLY  14           HA2      GLY  14  69.734 -14.702  90.124
  550    HA3  GLY  14           HA1      GLY  14  68.160 -14.239  89.517
  551    H    GLU  15           HN       GLU  15  68.171 -15.955  87.783
  552    HA   GLU  15           HA       GLU  15  70.093 -15.249  85.601
  553    HB2  GLU  15           HB2      GLU  15  68.967 -18.021  85.853
  554    HB3  GLU  15           HB1      GLU  15  70.329 -17.463  84.903
  555    HG2  GLU  15           HG2      GLU  15  70.341 -17.282  87.906
  556    HG3  GLU  15           HG1      GLU  15  70.839 -18.739  87.064
  557    H    THR  16           HN       THR  16  69.369 -15.833  83.404
  558    HA   THR  16           HA       THR  16  66.469 -16.034  83.009
  559    HB   THR  16           HB       THR  16  67.232 -14.022  81.196
  560    HG1  THR  16           HG1      THR  16  68.448 -13.803  83.697
  561   HG21  THR  16          HG21      THR  16  65.732 -12.610  82.570
  562   HG22  THR  16          HG22      THR  16  65.726 -13.873  83.801
  563   HG23  THR  16          HG23      THR  16  65.049 -14.195  82.205
  564    H    THR  17           HN       THR  17  65.907 -16.930  80.988
  565    HA   THR  17           HA       THR  17  68.101 -17.438  79.100
  566    HB   THR  17           HB       THR  17  66.439 -19.800  79.929
  567    HG1  THR  17           HG1      THR  17  68.921 -19.238  81.108
  568   HG21  THR  17          HG21      THR  17  69.337 -19.667  79.091
  569   HG22  THR  17          HG22      THR  17  68.037 -19.731  77.905
  570   HG23  THR  17          HG23      THR  17  68.250 -21.048  79.043
  571    H    THR  18           HN       THR  18  67.400 -18.403  77.066
  572    HA   THR  18           HA       THR  18  64.589 -18.376  76.434
  573    HB   THR  18           HB       THR  18  65.426 -15.955  76.277
  574    HG1  THR  18           HG1      THR  18  63.817 -15.860  74.961
  575   HG21  THR  18          HG21      THR  18  66.844 -15.341  74.502
  576   HG22  THR  18          HG22      THR  18  66.667 -16.900  73.701
  577   HG23  THR  18          HG23      THR  18  67.624 -16.772  75.176
  578    H    GLU  19           HN       GLU  19  64.182 -19.339  74.400
  579    HA   GLU  19           HA       GLU  19  66.403 -21.009  73.387
  580    HB2  GLU  19           HB2      GLU  19  64.534 -22.311  74.172
  581    HB3  GLU  19           HB1      GLU  19  63.384 -21.283  73.321
  582    HG2  GLU  19           HG2      GLU  19  63.859 -23.488  72.188
  583    HG3  GLU  19           HG1      GLU  19  64.150 -22.075  71.177
  584    H    ALA  20           HN       ALA  20  67.364 -20.035  71.673
  585    HA   ALA  20           HA       ALA  20  65.651 -19.040  69.476
  586    HB1  ALA  20           HB1      ALA  20  66.165 -16.983  70.458
  587    HB2  ALA  20           HB2      ALA  20  67.469 -17.160  69.288
  588    HB3  ALA  20           HB3      ALA  20  67.759 -17.519  70.987
  589    H    VAL  21           HN       VAL  21  66.756 -18.779  67.460
  590    HA   VAL  21           HA       VAL  21  68.719 -20.871  66.950
  591    HB   VAL  21           HB       VAL  21  67.070 -20.856  65.280
  592   HG11  VAL  21          HG11      VAL  21  66.290 -18.644  64.268
  593   HG12  VAL  21          HG12      VAL  21  67.155 -17.844  65.575
  594   HG13  VAL  21          HG13      VAL  21  65.817 -18.930  65.941
  595   HG21  VAL  21          HG21      VAL  21  69.483 -20.438  64.394
  596   HG22  VAL  21          HG22      VAL  21  68.922 -18.803  64.047
  597   HG23  VAL  21          HG23      VAL  21  68.142 -20.184  63.278
  598    H    ASP  22           HN       ASP  22  68.311 -17.384  66.873
  599    HA   ASP  22           HA       ASP  22  71.171 -17.046  66.151
  600    HB2  ASP  22           HB2      ASP  22  69.524 -15.943  64.682
  601    HB3  ASP  22           HB1      ASP  22  68.943 -15.017  66.064
  602    H    ALA  23           HN       ALA  23  72.424 -15.491  67.184
  603    HA   ALA  23           HA       ALA  23  72.070 -15.391  70.032
  604    HB1  ALA  23           HB1      ALA  23  74.179 -13.968  69.886
  605    HB2  ALA  23           HB2      ALA  23  74.131 -14.259  68.147
  606    HB3  ALA  23           HB3      ALA  23  74.302 -15.613  69.263
  607    H    ALA  24           HN       ALA  24  72.055 -12.951  67.432
  608    HA   ALA  24           HA       ALA  24  71.593 -10.724  69.115
  609    HB1  ALA  24           HB1      ALA  24  72.375 -10.526  66.761
  610    HB2  ALA  24           HB2      ALA  24  70.954  -9.529  67.076
  611    HB3  ALA  24           HB3      ALA  24  70.785 -11.055  66.208
  612    H    THR  25           HN       THR  25  69.195 -12.928  67.408
  613    HA   THR  25           HA       THR  25  66.876 -11.477  68.082
  614    HB   THR  25           HB       THR  25  67.182 -13.554  66.487
  615    HG1  THR  25           HG1      THR  25  65.164 -12.327  67.613
  616   HG21  THR  25          HG21      THR  25  65.924 -15.077  68.752
  617   HG22  THR  25          HG22      THR  25  67.683 -14.984  68.682
  618   HG23  THR  25          HG23      THR  25  66.786 -15.690  67.338
  619    H    ALA  26           HN       ALA  26  68.864 -13.674  69.963
  620    HA   ALA  26           HA       ALA  26  66.975 -14.215  72.020
  621    HB1  ALA  26           HB1      ALA  26  69.965 -14.206  72.424
  622    HB2  ALA  26           HB2      ALA  26  69.171 -15.463  71.476
  623    HB3  ALA  26           HB3      ALA  26  68.757 -15.249  73.175
  624    H    GLU  27           HN       GLU  27  69.330 -11.722  71.474
  625    HA   GLU  27           HA       GLU  27  69.240 -10.511  74.042
  626    HB2  GLU  27           HB2      GLU  27  70.914  -9.219  73.185
  627    HB3  GLU  27           HB1      GLU  27  70.793 -10.225  71.747
  628    HG2  GLU  27           HG2      GLU  27  69.046  -8.617  70.870
  629    HG3  GLU  27           HG1      GLU  27  69.405  -7.574  72.240
  630    H    LYS  28           HN       LYS  28  67.292 -10.200  71.152
  631    HA   LYS  28           HA       LYS  28  66.122  -7.710  71.612
  632    HB2  LYS  28           HB2      LYS  28  64.917 -10.207  70.394
  633    HB3  LYS  28           HB1      LYS  28  64.182  -8.606  70.313
  634    HG2  LYS  28           HG2      LYS  28  66.304  -7.765  69.255
  635    HG3  LYS  28           HG1      LYS  28  66.865  -9.435  69.184
  636    HD2  LYS  28           HD2      LYS  28  64.781 -10.008  67.869
  637    HD3  LYS  28           HD1      LYS  28  64.400  -8.287  67.822
  638    HE2  LYS  28           HE2      LYS  28  66.258  -7.778  66.447
  639    HE3  LYS  28           HE1      LYS  28  67.106  -9.257  66.874
  640    HZ1  LYS  28           HZ1      LYS  28  64.796 -10.192  65.614
  641    HZ2  LYS  28           HZ2      LYS  28  66.320 -10.076  64.875
  642    HZ3  LYS  28           HZ3      LYS  28  65.191  -8.821  64.692
  643    H    VAL  29           HN       VAL  29  65.233 -10.908  72.829
  644    HA   VAL  29           HA       VAL  29  62.953  -9.983  74.277
  645    HB   VAL  29           HB       VAL  29  64.593 -12.457  74.848
  646   HG11  VAL  29          HG11      VAL  29  61.676 -11.729  75.264
  647   HG12  VAL  29          HG12      VAL  29  62.894 -11.907  76.526
  648   HG13  VAL  29          HG13      VAL  29  62.378 -13.313  75.595
  649   HG21  VAL  29          HG21      VAL  29  62.462 -11.922  72.761
  650   HG22  VAL  29          HG22      VAL  29  62.905 -13.547  73.284
  651   HG23  VAL  29          HG23      VAL  29  64.101 -12.517  72.495
  652    H    PHE  30           HN       PHE  30  66.255 -10.897  75.263
  653    HA   PHE  30           HA       PHE  30  66.022 -10.283  77.978
  654    HB2  PHE  30           HB2      PHE  30  68.457 -10.268  76.220
  655    HB3  PHE  30           HB1      PHE  30  68.489 -10.196  77.971
  656    HD1  PHE  30           HD2      PHE  30  66.671 -12.132  79.006
  657    HD2  PHE  30           HD1      PHE  30  69.017 -12.374  75.405
  658    HE1  PHE  30           HE2      PHE  30  66.543 -14.597  79.073
  659    HE2  PHE  30           HE1      PHE  30  68.896 -14.832  75.503
  660    HZ   PHE  30           HZ       PHE  30  67.662 -15.949  77.337
  661    H    LYS  31           HN       LYS  31  67.232  -8.196  75.316
  662    HA   LYS  31           HA       LYS  31  67.898  -6.074  77.104
  663    HB2  LYS  31           HB2      LYS  31  67.616  -6.291  74.120
  664    HB3  LYS  31           HB1      LYS  31  67.708  -4.690  74.850
  665    HG2  LYS  31           HG2      LYS  31  69.817  -5.502  76.056
  666    HG3  LYS  31           HG1      LYS  31  69.765  -6.911  74.994
  667    HD2  LYS  31           HD2      LYS  31  69.912  -5.480  73.032
  668    HD3  LYS  31           HD1      LYS  31  69.808  -4.038  74.035
  669    HE2  LYS  31           HE2      LYS  31  71.929  -4.498  75.057
  670    HE3  LYS  31           HE1      LYS  31  71.999  -6.102  74.324
  671    HZ1  LYS  31           HZ1      LYS  31  71.594  -4.037  72.396
  672    HZ2  LYS  31           HZ2      LYS  31  72.765  -5.267  72.434
  673    HZ3  LYS  31           HZ3      LYS  31  73.030  -3.812  73.270
  674    H    GLN  32           HN       GLN  32  65.032  -6.772  75.138
  675    HA   GLN  32           HA       GLN  32  63.657  -4.374  75.863
  676    HB2  GLN  32           HB2      GLN  32  63.194  -5.883  73.871
  677    HB3  GLN  32           HB1      GLN  32  62.421  -6.990  75.007
  678    HG2  GLN  32           HG2      GLN  32  60.943  -5.112  75.751
  679    HG3  GLN  32           HG1      GLN  32  61.647  -4.107  74.485
  680   HE21  GLN  32          HE21      GLN  32  58.961  -6.064  75.120
  681   HE22  GLN  32          HE22      GLN  32  58.576  -6.514  73.529
  682    H    TYR  33           HN       TYR  33  63.950  -7.594  77.162
  683    HA   TYR  33           HA       TYR  33  61.846  -7.510  79.055
  684    HB2  TYR  33           HB2      TYR  33  62.697  -9.615  78.423
  685    HB3  TYR  33           HB1      TYR  33  64.354  -9.083  78.664
  686    HD1  TYR  33           HD1      TYR  33  61.242 -10.075  80.369
  687    HD2  TYR  33           HD2      TYR  33  65.403  -9.100  80.808
  688    HE1  TYR  33           HE1      TYR  33  61.217 -10.995  82.673
  689    HE2  TYR  33           HE2      TYR  33  65.375 -10.014  83.110
  690    HH   TYR  33           HH       TYR  33  62.954 -11.983  84.265
  691    H    ALA  34           HN       ALA  34  65.250  -6.613  79.097
  692    HA   ALA  34           HA       ALA  34  65.619  -6.283  81.851
  693    HB1  ALA  34           HB1      ALA  34  66.892  -5.096  79.406
  694    HB2  ALA  34           HB2      ALA  34  67.589  -6.189  80.601
  695    HB3  ALA  34           HB3      ALA  34  67.336  -4.491  80.999
  696    H    ASN  35           HN       ASN  35  64.195  -4.042  79.400
  697    HA   ASN  35           HA       ASN  35  64.064  -1.796  81.107
  698    HB2  ASN  35           HB2      ASN  35  63.642  -2.160  78.477
  699    HB3  ASN  35           HB1      ASN  35  61.966  -2.222  79.013
  700   HD21  ASN  35          HD21      ASN  35  60.993  -0.113  78.928
  701   HD22  ASN  35          HD22      ASN  35  61.826   1.333  79.235
  702    H    ASP  36           HN       ASP  36  61.773  -4.417  80.340
  703    HA   ASP  36           HA       ASP  36  59.666  -3.511  82.008
  704    HB2  ASP  36           HB2      ASP  36  60.125  -6.417  81.363
  705    HB3  ASP  36           HB1      ASP  36  58.605  -5.526  81.468
  706    H    ASN  37           HN       ASN  37  62.637  -5.178  82.638
  707    HA   ASN  37           HA       ASN  37  61.726  -6.228  85.197
  708    HB2  ASN  37           HB2      ASN  37  63.881  -6.699  83.304
  709    HB3  ASN  37           HB1      ASN  37  64.507  -6.588  84.931
  710   HD21  ASN  37          HD21      ASN  37  64.723  -8.698  85.706
  711   HD22  ASN  37          HD22      ASN  37  63.548  -9.911  85.537
  712    H    GLY  38           HN       GLY  38  63.538  -3.420  84.031
  713    HA2  GLY  38           HA2      GLY  38  63.633  -1.456  85.404
  714    HA3  GLY  38           HA1      GLY  38  63.695  -2.475  86.831
  715    H    VAL  39           HN       VAL  39  65.834  -4.035  84.954
  716    HA   VAL  39           HA       VAL  39  68.108  -2.383  85.923
  717    HB   VAL  39           HB       VAL  39  68.194  -4.494  86.979
  718   HG11  VAL  39          HG11      VAL  39  67.897  -6.600  85.904
  719   HG12  VAL  39          HG12      VAL  39  67.926  -5.863  84.307
  720   HG13  VAL  39          HG13      VAL  39  66.565  -5.585  85.377
  721   HG21  VAL  39          HG21      VAL  39  70.209  -5.556  86.093
  722   HG22  VAL  39          HG22      VAL  39  70.363  -3.810  85.996
  723   HG23  VAL  39          HG23      VAL  39  69.996  -4.739  84.553
  724    H    ASP  40           HN       ASP  40  68.861  -1.137  84.363
  725    HA   ASP  40           HA       ASP  40  69.432  -2.347  81.709
  726    HB2  ASP  40           HB2      ASP  40  67.494  -0.614  81.836
  727    HB3  ASP  40           HB1      ASP  40  68.770   0.575  82.078
  728    H    GLY  41           HN       GLY  41  71.679  -2.567  81.660
  729    HA2  GLY  41           HA2      GLY  41  73.254  -0.163  82.367
  730    HA3  GLY  41           HA1      GLY  41  73.651  -1.689  83.138
  731    H    GLU  42           HN       GLU  42  75.811  -1.638  82.174
  732    HA   GLU  42           HA       GLU  42  76.078  -1.522  79.350
  733    HB2  GLU  42           HB2      GLU  42  78.214  -2.677  81.112
  734    HB3  GLU  42           HB1      GLU  42  78.366  -1.620  79.712
  735    HG2  GLU  42           HG2      GLU  42  77.399  -0.850  82.477
  736    HG3  GLU  42           HG1      GLU  42  78.882  -0.324  81.685
  737    H    TRP  43           HN       TRP  43  75.965  -3.103  77.957
  738    HA   TRP  43           HA       TRP  43  75.347  -5.804  78.903
  739    HB2  TRP  43           HB2      TRP  43  74.972  -4.379  76.272
  740    HB3  TRP  43           HB1      TRP  43  74.638  -6.097  76.499
  741    HD1  TRP  43           HD1      TRP  43  73.378  -2.628  77.609
  742    HE1  TRP  43           HE1      TRP  43  71.049  -2.920  78.674
  743    HE3  TRP  43           HE3      TRP  43  73.071  -7.700  77.615
  744    HZ2  TRP  43           HZ2      TRP  43  69.280  -5.035  79.393
  745    HZ3  TRP  43           HZ3      TRP  43  71.059  -8.829  78.477
  746    HH2  TRP  43           HH2      TRP  43  69.159  -7.514  79.367
  747    H    THR  44           HN       THR  44  76.080  -7.567  77.758
  748    HA   THR  44           HA       THR  44  78.460  -7.439  76.130
  749    HB   THR  44           HB       THR  44  79.515  -7.276  78.315
  750    HG1  THR  44           HG1      THR  44  80.763  -8.654  77.325
  751   HG21  THR  44          HG21      THR  44  77.522  -9.425  79.028
  752   HG22  THR  44          HG22      THR  44  77.935  -7.949  79.900
  753   HG23  THR  44          HG23      THR  44  79.052  -9.310  79.894
  754    H    TYR  45           HN       TYR  45  79.001  -9.727  75.367
  755    HA   TYR  45           HA       TYR  45  77.008 -11.745  75.973
  756    HB2  TYR  45           HB2      TYR  45  75.718 -10.658  74.330
  757    HB3  TYR  45           HB1      TYR  45  77.117 -10.356  73.309
  758    HD1  TYR  45           HD1      TYR  45  75.740 -13.434  75.005
  759    HD2  TYR  45           HD2      TYR  45  77.017 -11.594  71.338
  760    HE1  TYR  45           HE1      TYR  45  75.325 -15.548  73.789
  761    HE2  TYR  45           HE2      TYR  45  76.605 -13.711  70.128
  762    HH   TYR  45           HH       TYR  45  75.988 -15.818  70.291
  763    H    ASP  46           HN       ASP  46  78.073 -13.559  76.150
  764    HA   ASP  46           HA       ASP  46  80.537 -13.925  74.574
  765    HB2  ASP  46           HB2      ASP  46  80.783 -14.355  76.986
  766    HB3  ASP  46           HB1      ASP  46  79.452 -15.525  76.923
  767    H    ASP  47           HN       ASP  47  80.150 -14.891  72.587
  768    HA   ASP  47           HA       ASP  47  77.791 -16.538  72.192
  769    HB2  ASP  47           HB2      ASP  47  78.818 -14.856  70.513
  770    HB3  ASP  47           HB1      ASP  47  79.994 -16.125  70.177
  771    H    ALA  48           HN       ALA  48  80.921 -17.015  73.263
  772    HA   ALA  48           HA       ALA  48  81.343 -19.645  72.145
  773    HB1  ALA  48           HB1      ALA  48  83.377 -19.628  73.313
  774    HB2  ALA  48           HB2      ALA  48  82.761 -18.543  74.560
  775    HB3  ALA  48           HB3      ALA  48  83.114 -17.924  72.947
  776    H    THR  49           HN       THR  49  79.691 -18.307  74.934
  777    HA   THR  49           HA       THR  49  79.163 -21.038  75.957
  778    HB   THR  49           HB       THR  49  78.915 -19.742  78.248
  779    HG1  THR  49           HG1      THR  49  80.976 -18.166  77.278
  780   HG21  THR  49          HG21      THR  49  81.605 -20.332  76.998
  781   HG22  THR  49          HG22      THR  49  80.583 -21.473  77.871
  782   HG23  THR  49          HG23      THR  49  81.319 -20.115  78.725
  783    H    LYS  50           HN       LYS  50  77.798 -18.712  74.233
  784    HA   LYS  50           HA       LYS  50  75.687 -17.811  74.042
  785    HB2  LYS  50           HB2      LYS  50  74.726 -20.311  75.430
  786    HB3  LYS  50           HB1      LYS  50  73.954 -19.421  74.124
  787    HG2  LYS  50           HG2      LYS  50  76.597 -20.885  73.804
  788    HG3  LYS  50           HG1      LYS  50  75.034 -21.596  73.422
  789    HD2  LYS  50           HD2      LYS  50  74.590 -19.809  71.803
  790    HD3  LYS  50           HD1      LYS  50  76.140 -19.063  72.179
  791    HE2  LYS  50           HE2      LYS  50  77.333 -21.016  71.368
  792    HE3  LYS  50           HE1      LYS  50  75.816 -21.875  71.106
  793    HZ1  LYS  50           HZ1      LYS  50  76.510 -20.980  69.036
  794    HZ2  LYS  50           HZ2      LYS  50  76.771 -19.441  69.706
  795    HZ3  LYS  50           HZ3      LYS  50  75.192 -20.050  69.559
  796    H    THR  51           HN       THR  51  76.866 -16.592  76.162
  797    HA   THR  51           HA       THR  51  74.678 -16.483  78.174
  798    HB   THR  51           HB       THR  51  77.648 -16.582  78.785
  799    HG1  THR  51           HG1      THR  51  76.467 -18.289  80.217
  800   HG21  THR  51          HG21      THR  51  75.256 -15.842  80.481
  801   HG22  THR  51          HG22      THR  51  76.781 -14.973  80.304
  802   HG23  THR  51          HG23      THR  51  76.729 -16.489  81.203
  803    H    PHE  52           HN       PHE  52  73.889 -14.449  78.540
  804    HA   PHE  52           HA       PHE  52  75.470 -12.100  77.677
  805    HB2  PHE  52           HB2      PHE  52  72.519 -12.575  78.096
  806    HB3  PHE  52           HB1      PHE  52  73.210 -10.983  77.785
  807    HD1  PHE  52           HD1      PHE  52  73.134 -14.474  76.406
  808    HD2  PHE  52           HD2      PHE  52  73.473 -10.271  75.578
  809    HE1  PHE  52           HE1      PHE  52  73.023 -14.929  73.970
  810    HE2  PHE  52           HE2      PHE  52  73.373 -10.739  73.149
  811    HZ   PHE  52           HZ       PHE  52  73.143 -13.070  72.345
  812    H    THR  53           HN       THR  53  75.369 -10.176  79.133
  813    HA   THR  53           HA       THR  53  74.264 -10.592  81.794
  814    HB   THR  53           HB       THR  53  76.258 -10.249  83.070
  815    HG1  THR  53           HG1      THR  53  77.177  -8.897  81.337
  816   HG21  THR  53          HG21      THR  53  77.559 -12.245  82.599
  817   HG22  THR  53          HG22      THR  53  76.948 -12.297  80.947
  818   HG23  THR  53          HG23      THR  53  75.866 -12.588  82.296
  819    H    VAL  54           HN       VAL  54  73.405  -8.611  82.548
  820    HA   VAL  54           HA       VAL  54  74.410  -6.138  81.219
  821    HB   VAL  54           HB       VAL  54  72.064  -6.701  80.679
  822   HG11  VAL  54          HG11      VAL  54  71.708  -7.863  82.932
  823   HG12  VAL  54          HG12      VAL  54  70.377  -6.861  82.354
  824   HG13  VAL  54          HG13      VAL  54  71.458  -6.255  83.605
  825   HG21  VAL  54          HG21      VAL  54  71.137  -4.507  81.162
  826   HG22  VAL  54          HG22      VAL  54  72.868  -4.307  80.893
  827   HG23  VAL  54          HG23      VAL  54  72.225  -4.298  82.534
  828    H    THR  55           HN       THR  55  75.460  -4.723  82.509
  829    HA   THR  55           HA       THR  55  74.974  -4.798  85.438
  830    HB   THR  55           HB       THR  55  77.201  -5.793  84.504
  831    HG1  THR  55           HG1      THR  55  77.205  -3.798  86.515
  832   HG21  THR  55          HG21      THR  55  78.966  -4.267  84.035
  833   HG22  THR  55          HG22      THR  55  78.025  -2.883  84.588
  834   HG23  THR  55          HG23      THR  55  77.601  -3.693  83.082
  835    H    GLU  56           HN       GLU  56  74.189  -2.907  86.254
  836    HA   GLU  56           HA       GLU  56  74.781  -0.395  84.787
  837    HB2  GLU  56           HB2      GLU  56  72.748   0.365  86.326
  838    HB3  GLU  56           HB1      GLU  56  72.465  -0.498  84.814
  839    HG2  GLU  56           HG2      GLU  56  72.318  -2.619  86.011
  840    HG3  GLU  56           HG1      GLU  56  72.677  -1.811  87.535
  841    H1   MET   1           HT1      MET   1  41.986 -35.721  79.288
  842    H2   MET   1           HT2      MET   1  43.583 -36.007  78.783
  843    H3   MET   1           HT3      MET   1  42.873 -34.481  78.543
  844    HA   MET   1           HA       MET   1  43.285 -35.667  81.219
  845    HB2  MET   1           HB2      MET   1  45.488 -35.062  81.204
  846    HB3  MET   1           HB1      MET   1  45.325 -34.921  79.460
  847    HG2  MET   1           HG2      MET   1  44.944 -32.667  81.466
  848    HG3  MET   1           HG1      MET   1  46.321 -32.891  80.400
  849    HE1  MET   1           HE1      MET   1  46.544 -31.741  78.219
  850    HE2  MET   1           HE2      MET   1  45.319 -31.997  76.982
  851    HE3  MET   1           HE3      MET   1  45.979 -33.375  77.848
  852    H    GLN   2           HN       GLN   2  43.472 -33.668  82.790
  853    HA   GLN   2           HA       GLN   2  41.289 -31.776  82.111
  854    HB2  GLN   2           HB2      GLN   2  41.999 -33.148  84.711
  855    HB3  GLN   2           HB1      GLN   2  40.914 -31.761  84.628
  856    HG2  GLN   2           HG2      GLN   2  39.354 -32.956  83.249
  857    HG3  GLN   2           HG1      GLN   2  40.493 -34.280  83.002
  858   HE21  GLN   2          HE21      GLN   2  37.729 -33.506  84.863
  859   HE22  GLN   2          HE22      GLN   2  38.007 -34.546  86.175
  860    H    TYR   3           HN       TYR   3  41.427 -29.689  82.848
  861    HA   TYR   3           HA       TYR   3  44.104 -28.746  83.699
  862    HB2  TYR   3           HB2      TYR   3  41.957 -27.345  82.120
  863    HB3  TYR   3           HB1      TYR   3  43.514 -26.667  82.579
  864    HD1  TYR   3           HD1      TYR   3  45.625 -27.802  81.768
  865    HD2  TYR   3           HD2      TYR   3  41.733 -28.715  80.206
  866    HE1  TYR   3           HE1      TYR   3  46.658 -28.762  79.733
  867    HE2  TYR   3           HE2      TYR   3  42.777 -29.679  78.173
  868    HH   TYR   3           HH       TYR   3  45.865 -29.081  77.266
  869    H    LYS   4           HN       LYS   4  44.151 -27.256  85.361
  870    HA   LYS   4           HA       LYS   4  41.556 -26.795  86.747
  871    HB2  LYS   4           HB2      LYS   4  42.924 -28.327  88.019
  872    HB3  LYS   4           HB1      LYS   4  44.326 -27.275  87.867
  873    HG2  LYS   4           HG2      LYS   4  43.242 -25.563  89.239
  874    HG3  LYS   4           HG1      LYS   4  41.760 -26.516  89.315
  875    HD2  LYS   4           HD2      LYS   4  44.283 -27.885  90.213
  876    HD3  LYS   4           HD1      LYS   4  43.661 -26.613  91.261
  877    HE2  LYS   4           HE2      LYS   4  41.778 -28.723  90.236
  878    HE3  LYS   4           HE1      LYS   4  42.833 -29.080  91.605
  879    HZ1  LYS   4           HZ1      LYS   4  40.523 -27.382  91.473
  880    HZ2  LYS   4           HZ2      LYS   4  41.860 -26.627  92.199
  881    HZ3  LYS   4           HZ3      LYS   4  41.268 -28.095  92.818
  882    H    LEU   5           HN       LEU   5  40.962 -24.714  86.970
  883    HA   LEU   5           HA       LEU   5  43.021 -22.617  86.605
  884    HB2  LEU   5           HB2      LEU   5  41.217 -22.502  84.972
  885    HB3  LEU   5           HB1      LEU   5  40.020 -22.550  86.240
  886    HG   LEU   5           HG       LEU   5  40.630 -20.273  85.062
  887   HD11  LEU   5          HD11      LEU   5  40.255 -20.486  88.047
  888   HD12  LEU   5          HD12      LEU   5  39.001 -20.401  86.817
  889   HD13  LEU   5          HD13      LEU   5  40.050 -19.017  87.103
  890   HD21  LEU   5          HD21      LEU   5  43.118 -20.541  85.726
  891   HD22  LEU   5          HD22      LEU   5  42.596 -20.005  87.312
  892   HD23  LEU   5          HD23      LEU   5  42.360 -18.975  85.917
  893    H    ILE   6           HN       ILE   6  43.559 -21.374  88.320
  894    HA   ILE   6           HA       ILE   6  42.041 -21.731  90.833
  895    HB   ILE   6           HB       ILE   6  44.673 -20.293  90.428
  896   HG12  ILE   6          HG12      ILE   6  44.904 -22.628  89.689
  897   HG13  ILE   6          HG11      ILE   6  45.759 -22.373  91.206
  898   HG21  ILE   6          HG21      ILE   6  43.218 -21.384  92.843
  899   HG22  ILE   6          HG22      ILE   6  43.542 -19.693  92.464
  900   HG23  ILE   6          HG23      ILE   6  44.872 -20.773  92.880
  901   HD11  ILE   6          HD11      ILE   6  44.600 -24.426  91.462
  902   HD12  ILE   6          HD12      ILE   6  43.128 -23.779  90.746
  903   HD13  ILE   6          HD13      ILE   6  43.632 -23.253  92.350
  904    H    LEU   7           HN       LEU   7  40.860 -20.156  91.637
  905    HA   LEU   7           HA       LEU   7  40.644 -17.662  90.117
  906    HB2  LEU   7           HB2      LEU   7  38.976 -18.977  92.259
  907    HB3  LEU   7           HB1      LEU   7  38.741 -17.287  91.846
  908    HG   LEU   7           HG       LEU   7  38.685 -18.390  89.333
  909   HD11  LEU   7          HD11      LEU   7  37.512 -20.470  89.341
  910   HD12  LEU   7          HD12      LEU   7  37.294 -20.418  91.089
  911   HD13  LEU   7          HD13      LEU   7  38.899 -20.684  90.408
  912   HD21  LEU   7          HD21      LEU   7  37.000 -16.886  90.341
  913   HD22  LEU   7          HD22      LEU   7  36.346 -18.243  91.253
  914   HD23  LEU   7          HD23      LEU   7  36.244 -18.233  89.494
  915    H    ASN   8           HN       ASN   8  41.932 -16.089  90.644
  916    HA   ASN   8           HA       ASN   8  42.244 -15.352  93.476
  917    HB2  ASN   8           HB2      ASN   8  44.614 -14.593  92.652
  918    HB3  ASN   8           HB1      ASN   8  44.355 -16.277  93.104
  919   HD21  ASN   8          HD21      ASN   8  45.863 -14.511  90.778
  920   HD22  ASN   8          HD22      ASN   8  45.703 -15.565  89.456
  921    H    GLY   9           HN       GLY   9  40.578 -13.836  93.030
  922    HA2  GLY   9           HA2      GLY   9  41.374 -11.599  91.239
  923    HA3  GLY   9           HA1      GLY   9  39.710 -12.135  91.426
  924    H    LYS  10           HN       LYS  10  39.176  -9.974  92.047
  925    HA   LYS  10           HA       LYS  10  40.357  -8.787  94.345
  926    HB2  LYS  10           HB2      LYS  10  37.587  -8.097  93.359
  927    HB3  LYS  10           HB1      LYS  10  38.791  -7.042  94.102
  928    HG2  LYS  10           HG2      LYS  10  40.248  -7.680  91.999
  929    HG3  LYS  10           HG1      LYS  10  38.696  -8.124  91.290
  930    HD2  LYS  10           HD2      LYS  10  37.847  -5.833  91.869
  931    HD3  LYS  10           HD1      LYS  10  39.477  -5.412  92.394
  932    HE2  LYS  10           HE2      LYS  10  40.306  -6.046  90.107
  933    HE3  LYS  10           HE1      LYS  10  38.627  -6.257  89.610
  934    HZ1  LYS  10           HZ1      LYS  10  38.249  -4.050  89.618
  935    HZ2  LYS  10           HZ2      LYS  10  39.930  -3.962  89.383
  936    HZ3  LYS  10           HZ3      LYS  10  39.274  -3.752  90.936
  937    H    THR  11           HN       THR  11  37.185 -10.516  93.935
  938    HA   THR  11           HA       THR  11  37.377 -11.246  96.797
  939    HB   THR  11           HB       THR  11  34.862 -11.001  96.890
  940    HG1  THR  11           HG1      THR  11  35.011  -9.175  94.825
  941   HG21  THR  11          HG21      THR  11  36.520  -9.357  97.815
  942   HG22  THR  11          HG22      THR  11  34.987  -8.635  97.337
  943   HG23  THR  11          HG23      THR  11  36.401  -8.467  96.299
  944    H    LEU  12           HN       LEU  12  36.973 -12.256  93.589
  945    HA   LEU  12           HA       LEU  12  35.451 -14.631  94.263
  946    HB2  LEU  12           HB2      LEU  12  35.808 -13.093  91.942
  947    HB3  LEU  12           HB1      LEU  12  36.679 -14.578  91.586
  948    HG   LEU  12           HG       LEU  12  33.770 -14.276  92.364
  949   HD11  LEU  12          HD11      LEU  12  33.386 -15.350  90.195
  950   HD12  LEU  12          HD12      LEU  12  35.123 -15.540  89.965
  951   HD13  LEU  12          HD13      LEU  12  34.406 -13.928  89.983
  952   HD21  LEU  12          HD21      LEU  12  34.038 -16.263  93.456
  953   HD22  LEU  12          HD22      LEU  12  35.610 -16.578  92.726
  954   HD23  LEU  12          HD23      LEU  12  34.136 -16.970  91.849
  955    H    LYS  13           HN       LYS  13  36.488 -16.264  95.278
  956    HA   LYS  13           HA       LYS  13  39.064 -17.157  94.160
  957    HB2  LYS  13           HB2      LYS  13  38.536 -16.553  97.079
  958    HB3  LYS  13           HB1      LYS  13  39.830 -17.621  96.555
  959    HG2  LYS  13           HG2      LYS  13  41.104 -15.721  96.461
  960    HG3  LYS  13           HG1      LYS  13  40.284 -15.423  94.935
  961    HD2  LYS  13           HD2      LYS  13  38.452 -14.310  96.550
  962    HD3  LYS  13           HD1      LYS  13  39.845 -14.143  97.617
  963    HE2  LYS  13           HE2      LYS  13  39.837 -12.141  96.356
  964    HE3  LYS  13           HE1      LYS  13  41.050 -13.142  95.554
  965    HZ1  LYS  13           HZ1      LYS  13  39.761 -13.409  93.746
  966    HZ2  LYS  13           HZ2      LYS  13  39.025 -11.975  94.280
  967    HZ3  LYS  13           HZ3      LYS  13  38.321 -13.479  94.632
  968    H    GLY  14           HN       GLY  14  39.305 -19.263  94.012
  969    HA2  GLY  14           HA2      GLY  14  38.283 -21.297  95.580
  970    HA3  GLY  14           HA1      GLY  14  37.071 -20.998  94.332
  971    H    GLU  15           HN       GLU  15  37.516 -23.128  93.386
  972    HA   GLU  15           HA       GLU  15  39.994 -23.177  91.752
  973    HB2  GLU  15           HB2      GLU  15  38.552 -25.613  92.811
  974    HB3  GLU  15           HB1      GLU  15  40.067 -25.568  91.910
  975    HG2  GLU  15           HG2      GLU  15  39.699 -24.204  94.568
  976    HG3  GLU  15           HG1      GLU  15  40.285 -25.855  94.408
  977    H    THR  16           HN       THR  16  39.728 -24.324  89.691
  978    HA   THR  16           HA       THR  16  36.976 -24.860  88.851
  979    HB   THR  16           HB       THR  16  37.969 -23.348  86.703
  980    HG1  THR  16           HG1      THR  16  38.654 -22.262  89.207
  981   HG21  THR  16          HG21      THR  16  36.247 -21.706  87.411
  982   HG22  THR  16          HG22      THR  16  36.077 -22.593  88.926
  983   HG23  THR  16          HG23      THR  16  35.660 -23.369  87.398
  984    H    THR  17           HN       THR  17  36.842 -26.247  87.080
  985    HA   THR  17           HA       THR  17  39.359 -27.073  85.835
  986    HB   THR  17           HB       THR  17  37.625 -29.255  86.947
  987    HG1  THR  17           HG1      THR  17  39.788 -28.153  88.371
  988   HG21  THR  17          HG21      THR  17  40.627 -29.115  86.678
  989   HG22  THR  17          HG22      THR  17  39.600 -29.570  85.320
  990   HG23  THR  17          HG23      THR  17  39.605 -30.541  86.781
  991    H    THR  18           HN       THR  18  39.085 -28.558  84.046
  992    HA   THR  18           HA       THR  18  36.447 -28.900  82.936
  993    HB   THR  18           HB       THR  18  37.250 -26.549  82.289
  994    HG1  THR  18           HG1      THR  18  35.935 -26.901  80.716
  995   HG21  THR  18          HG21      THR  18  38.972 -26.317  80.701
  996   HG22  THR  18          HG22      THR  18  38.980 -28.039  80.326
  997   HG23  THR  18          HG23      THR  18  39.634 -27.470  81.860
  998    H    GLU  19           HN       GLU  19  36.467 -30.390  81.197
  999    HA   GLU  19           HA       GLU  19  38.876 -32.103  81.119
 1000    HB2  GLU  19           HB2      GLU  19  36.911 -33.280  81.858
 1001    HB3  GLU  19           HB1      GLU  19  35.938 -32.599  80.558
 1002    HG2  GLU  19           HG2      GLU  19  36.672 -34.986  80.185
 1003    HG3  GLU  19           HG1      GLU  19  37.129 -33.873  78.897
 1004    H    ALA  20           HN       ALA  20  40.148 -31.518  79.439
 1005    HA   ALA  20           HA       ALA  20  38.922 -31.295  76.758
 1006    HB1  ALA  20           HB1      ALA  20  39.188 -29.019  77.066
 1007    HB2  ALA  20           HB2      ALA  20  40.817 -29.399  76.512
 1008    HB3  ALA  20           HB3      ALA  20  40.490 -29.224  78.234
 1009    H    VAL  21           HN       VAL  21  40.440 -31.472  75.021
 1010    HA   VAL  21           HA       VAL  21  42.516 -33.466  75.510
 1011    HB   VAL  21           HB       VAL  21  41.225 -34.081  73.647
 1012   HG11  VAL  21          HG11      VAL  21  40.538 -32.345  71.917
 1013   HG12  VAL  21          HG12      VAL  21  41.122 -31.117  73.034
 1014   HG13  VAL  21          HG13      VAL  21  39.787 -32.169  73.501
 1015   HG21  VAL  21          HG21      VAL  21  43.738 -33.700  73.099
 1016   HG22  VAL  21          HG22      VAL  21  43.188 -32.281  72.208
 1017   HG23  VAL  21          HG23      VAL  21  42.625 -33.886  71.745
 1018    H    ASP  22           HN       ASP  22  41.974 -30.211  74.327
 1019    HA   ASP  22           HA       ASP  22  44.897 -29.798  74.050
 1020    HB2  ASP  22           HB2      ASP  22  43.493 -29.289  72.076
 1021    HB3  ASP  22           HB1      ASP  22  42.644 -28.074  73.030
 1022    H    ALA  23           HN       ALA  23  45.860 -27.936  74.826
 1023    HA   ALA  23           HA       ALA  23  44.947 -27.116  77.418
 1024    HB1  ALA  23           HB1      ALA  23  46.993 -25.560  77.171
 1025    HB2  ALA  23           HB2      ALA  23  47.308 -26.452  75.686
 1026    HB3  ALA  23           HB3      ALA  23  47.275 -27.297  77.233
 1027    H    ALA  24           HN       ALA  24  45.377 -25.455  74.296
 1028    HA   ALA  24           HA       ALA  24  44.530 -22.911  75.177
 1029    HB1  ALA  24           HB1      ALA  24  45.729 -23.304  73.029
 1030    HB2  ALA  24           HB2      ALA  24  44.254 -22.362  72.811
 1031    HB3  ALA  24           HB3      ALA  24  44.278 -24.073  72.385
 1032    H    THR  25           HN       THR  25  42.565 -25.695  73.810
 1033    HA   THR  25           HA       THR  25  40.117 -24.302  73.630
 1034    HB   THR  25           HB       THR  25  40.786 -26.700  72.756
 1035    HG1  THR  25           HG1      THR  25  38.584 -25.370  73.055
 1036   HG21  THR  25          HG21      THR  25  39.154 -27.663  75.087
 1037   HG22  THR  25          HG22      THR  25  40.886 -27.444  75.324
 1038   HG23  THR  25          HG23      THR  25  40.302 -28.554  74.084
 1039    H    ALA  26           HN       ALA  26  41.787 -25.741  76.361
 1040    HA   ALA  26           HA       ALA  26  39.564 -25.858  78.132
 1041    HB1  ALA  26           HB1      ALA  26  42.420 -25.513  79.030
 1042    HB2  ALA  26           HB2      ALA  26  41.861 -27.031  78.330
 1043    HB3  ALA  26           HB3      ALA  26  41.124 -26.418  79.809
 1044    H    GLU  27           HN       GLU  27  41.913 -23.426  77.336
 1045    HA   GLU  27           HA       GLU  27  41.304 -21.589  79.420
 1046    HB2  GLU  27           HB2      GLU  27  43.087 -20.449  78.566
 1047    HB3  GLU  27           HB1      GLU  27  43.278 -21.814  77.471
 1048    HG2  GLU  27           HG2      GLU  27  41.708 -20.637  75.869
 1049    HG3  GLU  27           HG1      GLU  27  41.773 -19.237  76.931
 1050    H    LYS  28           HN       LYS  28  39.953 -22.193  76.250
 1051    HA   LYS  28           HA       LYS  28  38.684 -19.755  75.783
 1052    HB2  LYS  28           HB2      LYS  28  37.758 -22.560  75.108
 1053    HB3  LYS  28           HB1      LYS  28  37.046 -21.087  74.446
 1054    HG2  LYS  28           HG2      LYS  28  39.334 -20.447  73.611
 1055    HG3  LYS  28           HG1      LYS  28  39.901 -22.038  74.112
 1056    HD2  LYS  28           HD2      LYS  28  38.125 -23.065  72.640
 1057    HD3  LYS  28           HD1      LYS  28  37.739 -21.447  72.055
 1058    HE2  LYS  28           HE2      LYS  28  39.812 -21.208  70.946
 1059    HE3  LYS  28           HE1      LYS  28  40.594 -22.442  71.923
 1060    HZ1  LYS  28           HZ1      LYS  28  38.593 -23.859  70.582
 1061    HZ2  LYS  28           HZ2      LYS  28  40.233 -23.845  70.140
 1062    HZ3  LYS  28           HZ3      LYS  28  39.145 -22.774  69.396
 1063    H    VAL  29           HN       VAL  29  37.621 -22.556  77.660
 1064    HA   VAL  29           HA       VAL  29  35.095 -21.423  78.363
 1065    HB   VAL  29           HB       VAL  29  36.617 -23.541  79.888
 1066   HG11  VAL  29          HG11      VAL  29  33.667 -22.938  79.510
 1067   HG12  VAL  29          HG12      VAL  29  34.600 -22.676  80.983
 1068   HG13  VAL  29          HG13      VAL  29  34.312 -24.315  80.402
 1069   HG21  VAL  29          HG21      VAL  29  34.954 -23.734  77.362
 1070   HG22  VAL  29          HG22      VAL  29  35.305 -25.124  78.389
 1071   HG23  VAL  29          HG23      VAL  29  36.621 -24.261  77.592
 1072    H    PHE  30           HN       PHE  30  38.157 -21.829  80.146
 1073    HA   PHE  30           HA       PHE  30  37.399 -20.526  82.496
 1074    HB2  PHE  30           HB2      PHE  30  40.132 -20.825  81.289
 1075    HB3  PHE  30           HB1      PHE  30  39.811 -20.318  82.937
 1076    HD1  PHE  30           HD2      PHE  30  37.805 -22.047  84.033
 1077    HD2  PHE  30           HD1      PHE  30  40.885 -23.026  81.189
 1078    HE1  PHE  30           HE2      PHE  30  37.681 -24.421  84.698
 1079    HE2  PHE  30           HE1      PHE  30  40.760 -25.387  81.885
 1080    HZ   PHE  30           HZ       PHE  30  39.162 -26.086  83.643
 1081    H    LYS  31           HN       LYS  31  39.088 -19.148  79.639
 1082    HA   LYS  31           HA       LYS  31  39.350 -16.586  80.875
 1083    HB2  LYS  31           HB2      LYS  31  39.700 -17.623  78.080
 1084    HB3  LYS  31           HB1      LYS  31  39.559 -15.883  78.309
 1085    HG2  LYS  31           HG2      LYS  31  41.406 -16.055  80.043
 1086    HG3  LYS  31           HG1      LYS  31  41.628 -17.729  79.533
 1087    HD2  LYS  31           HD2      LYS  31  42.080 -16.982  77.241
 1088    HD3  LYS  31           HD1      LYS  31  41.798 -15.312  77.716
 1089    HE2  LYS  31           HE2      LYS  31  43.701 -15.337  79.194
 1090    HE3  LYS  31           HE1      LYS  31  43.919 -17.074  78.958
 1091    HZ1  LYS  31           HZ1      LYS  31  43.829 -15.651  76.488
 1092    HZ2  LYS  31           HZ2      LYS  31  45.003 -16.733  77.068
 1093    HZ3  LYS  31           HZ3      LYS  31  45.079 -15.088  77.486
 1094    H    GLN  32           HN       GLN  32  36.948 -17.999  78.683
 1095    HA   GLN  32           HA       GLN  32  35.404 -15.605  78.447
 1096    HB2  GLN  32           HB2      GLN  32  35.394 -17.616  76.888
 1097    HB3  GLN  32           HB1      GLN  32  34.420 -18.435  78.110
 1098    HG2  GLN  32           HG2      GLN  32  32.801 -16.516  78.012
 1099    HG3  GLN  32           HG1      GLN  32  33.727 -15.868  76.659
 1100   HE21  GLN  32          HE21      GLN  32  30.987 -17.728  77.331
 1101   HE22  GLN  32          HE22      GLN  32  30.924 -18.641  75.901
 1102    H    TYR  33           HN       TYR  33  35.484 -18.342  80.612
 1103    HA   TYR  33           HA       TYR  33  33.025 -17.900  81.945
 1104    HB2  TYR  33           HB2      TYR  33  34.025 -20.040  82.088
 1105    HB3  TYR  33           HB1      TYR  33  35.569 -19.349  82.570
 1106    HD1  TYR  33           HD1      TYR  33  32.121 -20.043  83.650
 1107    HD2  TYR  33           HD2      TYR  33  36.034 -18.724  84.835
 1108    HE1  TYR  33           HE1      TYR  33  31.478 -20.279  86.033
 1109    HE2  TYR  33           HE2      TYR  33  35.389 -18.955  87.218
 1110    HH   TYR  33           HH       TYR  33  33.140 -20.690  88.348
 1111    H    ALA  34           HN       ALA  34  36.331 -16.799  82.426
 1112    HA   ALA  34           HA       ALA  34  36.102 -15.736  85.007
 1113    HB1  ALA  34           HB1      ALA  34  37.867 -15.185  82.644
 1114    HB2  ALA  34           HB2      ALA  34  38.300 -15.807  84.235
 1115    HB3  ALA  34           HB3      ALA  34  37.935 -14.095  84.029
 1116    H    ASN  35           HN       ASN  35  35.199 -14.316  81.808
 1117    HA   ASN  35           HA       ASN  35  34.689 -11.716  82.768
 1118    HB2  ASN  35           HB2      ASN  35  34.798 -12.801  80.315
 1119    HB3  ASN  35           HB1      ASN  35  33.049 -12.845  80.530
 1120   HD21  ASN  35          HD21      ASN  35  32.065 -10.919  79.682
 1121   HD22  ASN  35          HD22      ASN  35  32.788  -9.383  79.721
 1122    H    ASP  36           HN       ASP  36  32.631 -14.597  82.363
 1123    HA   ASP  36           HA       ASP  36  30.223 -13.418  83.286
 1124    HB2  ASP  36           HB2      ASP  36  30.848 -16.349  83.574
 1125    HB3  ASP  36           HB1      ASP  36  29.321 -15.574  83.149
 1126    H    ASN  37           HN       ASN  37  33.027 -14.639  84.921
 1127    HA   ASN  37           HA       ASN  37  31.624 -15.010  87.449
 1128    HB2  ASN  37           HB2      ASN  37  34.114 -15.848  86.206
 1129    HB3  ASN  37           HB1      ASN  37  34.409 -15.243  87.823
 1130   HD21  ASN  37          HD21      ASN  37  34.636 -17.168  89.029
 1131   HD22  ASN  37          HD22      ASN  37  33.466 -18.398  89.073
 1132    H    GLY  38           HN       GLY  38  33.616 -12.531  85.916
 1133    HA2  GLY  38           HA2      GLY  38  33.419 -10.261  86.681
 1134    HA3  GLY  38           HA1      GLY  38  33.242 -10.851  88.325
 1135    H    VAL  39           HN       VAL  39  35.667 -12.762  87.504
 1136    HA   VAL  39           HA       VAL  39  37.717 -10.761  88.270
 1137    HB   VAL  39           HB       VAL  39  37.688 -12.461  89.896
 1138   HG11  VAL  39          HG11      VAL  39  37.580 -14.834  89.413
 1139   HG12  VAL  39          HG12      VAL  39  37.653 -14.520  87.681
 1140   HG13  VAL  39          HG13      VAL  39  36.244 -14.025  88.607
 1141   HG21  VAL  39          HG21      VAL  39  39.799 -13.625  89.672
 1142   HG22  VAL  39          HG22      VAL  39  39.974 -12.035  88.941
 1143   HG23  VAL  39          HG23      VAL  39  39.764 -13.450  87.922
 1144    H    ASP  40           HN       ASP  40  38.697  -9.941  86.557
 1145    HA   ASP  40           HA       ASP  40  39.777 -11.784  84.491
 1146    HB2  ASP  40           HB2      ASP  40  37.796 -10.253  83.793
 1147    HB3  ASP  40           HB1      ASP  40  38.959  -8.937  83.903
 1148    H    GLY  41           HN       GLY  41  42.007 -11.817  84.879
 1149    HA2  GLY  41           HA2      GLY  41  43.345  -9.187  85.099
 1150    HA3  GLY  41           HA1      GLY  41  43.660 -10.400  86.324
 1151    H    GLU  42           HN       GLU  42  45.933 -10.520  85.779
 1152    HA   GLU  42           HA       GLU  42  46.751 -11.096  83.121
 1153    HB2  GLU  42           HB2      GLU  42  48.462 -11.677  85.507
 1154    HB3  GLU  42           HB1      GLU  42  48.921 -11.007  83.946
 1155    HG2  GLU  42           HG2      GLU  42  47.426  -9.598  86.173
 1156    HG3  GLU  42           HG1      GLU  42  49.033  -9.218  85.563
 1157    H    TRP  43           HN       TRP  43  47.567 -13.114  82.369
 1158    HA   TRP  43           HA       TRP  43  46.547 -15.464  83.871
 1159    HB2  TRP  43           HB2      TRP  43  46.538 -14.880  80.920
 1160    HB3  TRP  43           HB1      TRP  43  46.137 -16.448  81.619
 1161    HD1  TRP  43           HD1      TRP  43  44.789 -12.819  81.461
 1162    HE1  TRP  43           HE1      TRP  43  42.282 -12.907  82.071
 1163    HE3  TRP  43           HE3      TRP  43  44.414 -17.702  82.744
 1164    HZ2  TRP  43           HZ2      TRP  43  40.363 -14.839  82.968
 1165    HZ3  TRP  43           HZ3      TRP  43  42.266 -18.656  83.454
 1166    HH2  TRP  43           HH2      TRP  43  40.233 -17.243  83.572
 1167    H    THR  44           HN       THR  44  47.646 -17.165  83.948
 1168    HA   THR  44           HA       THR  44  50.073 -17.537  82.379
 1169    HB   THR  44           HB       THR  44  50.822 -16.914  84.557
 1170    HG1  THR  44           HG1      THR  44  52.078 -18.524  84.139
 1171   HG21  THR  44          HG21      THR  44  48.710 -18.847  85.487
 1172   HG22  THR  44          HG22      THR  44  48.775 -17.110  85.777
 1173   HG23  THR  44          HG23      THR  44  49.951 -18.177  86.544
 1174    H    TYR  45           HN       TYR  45  50.610 -19.981  82.083
 1175    HA   TYR  45           HA       TYR  45  48.301 -21.622  82.849
 1176    HB2  TYR  45           HB2      TYR  45  47.524 -21.150  80.712
 1177    HB3  TYR  45           HB1      TYR  45  49.150 -21.112  80.032
 1178    HD1  TYR  45           HD1      TYR  45  47.467 -23.664  82.243
 1179    HD2  TYR  45           HD2      TYR  45  49.307 -22.818  78.455
 1180    HE1  TYR  45           HE1      TYR  45  47.361 -26.061  81.648
 1181    HE2  TYR  45           HE2      TYR  45  49.192 -25.211  77.863
 1182    HH   TYR  45           HH       TYR  45  48.576 -27.221  78.502
 1183    H    ASP  46           HN       ASP  46  49.042 -23.263  83.912
 1184    HA   ASP  46           HA       ASP  46  51.742 -24.116  83.302
 1185    HB2  ASP  46           HB2      ASP  46  50.852 -24.055  85.793
 1186    HB3  ASP  46           HB1      ASP  46  49.990 -25.521  85.331
 1187    H    ASP  47           HN       ASP  47  52.036 -25.380  81.618
 1188    HA   ASP  47           HA       ASP  47  49.902 -27.348  80.973
 1189    HB2  ASP  47           HB2      ASP  47  51.198 -25.836  79.208
 1190    HB3  ASP  47           HB1      ASP  47  52.421 -27.098  79.364
 1191    H    ALA  48           HN       ALA  48  52.735 -26.844  82.535
 1192    HA   ALA  48           HA       ALA  48  54.042 -29.339  82.317
 1193    HB1  ALA  48           HB1      ALA  48  55.597 -28.282  83.683
 1194    HB2  ALA  48           HB2      ALA  48  54.361 -27.512  84.673
 1195    HB3  ALA  48           HB3      ALA  48  54.743 -26.862  83.080
 1196    H    THR  49           HN       THR  49  51.439 -28.075  84.306
 1197    HA   THR  49           HA       THR  49  51.059 -30.643  85.696
 1198    HB   THR  49           HB       THR  49  50.113 -29.075  87.608
 1199    HG1  THR  49           HG1      THR  49  52.119 -27.343  86.748
 1200   HG21  THR  49          HG21      THR  49  53.040 -29.511  87.048
 1201   HG22  THR  49          HG22      THR  49  51.975 -30.473  88.072
 1202   HG23  THR  49          HG23      THR  49  52.444 -28.847  88.568
 1203    H    LYS  50           HN       LYS  50  49.870 -28.557  83.423
 1204    HA   LYS  50           HA       LYS  50  47.783 -28.161  82.553
 1205    HB2  LYS  50           HB2      LYS  50  46.705 -30.309  84.380
 1206    HB3  LYS  50           HB1      LYS  50  46.127 -29.842  82.785
 1207    HG2  LYS  50           HG2      LYS  50  48.840 -31.114  83.270
 1208    HG3  LYS  50           HG1      LYS  50  47.398 -32.020  82.835
 1209    HD2  LYS  50           HD2      LYS  50  47.189 -30.767  80.757
 1210    HD3  LYS  50           HD1      LYS  50  48.568 -29.764  81.188
 1211    HE2  LYS  50           HE2      LYS  50  50.004 -31.780  81.238
 1212    HE3  LYS  50           HE1      LYS  50  48.627 -32.750  80.718
 1213    HZ1  LYS  50           HZ1      LYS  50  49.860 -32.181  78.797
 1214    HZ2  LYS  50           HZ2      LYS  50  49.939 -30.542  79.239
 1215    HZ3  LYS  50           HZ3      LYS  50  48.458 -31.228  78.772
 1216    H    THR  51           HN       THR  51  48.491 -26.333  84.450
 1217    HA   THR  51           HA       THR  51  45.916 -25.907  85.867
 1218    HB   THR  51           HB       THR  51  48.651 -25.707  87.167
 1219    HG1  THR  51           HG1      THR  51  47.279 -27.071  88.677
 1220   HG21  THR  51          HG21      THR  51  45.939 -24.703  88.056
 1221   HG22  THR  51          HG22      THR  51  47.442 -23.790  87.934
 1222   HG23  THR  51          HG23      THR  51  47.253 -25.012  89.191
 1223    H    PHE  52           HN       PHE  52  45.051 -23.895  85.544
 1224    HA   PHE  52           HA       PHE  52  46.759 -21.750  84.449
 1225    HB2  PHE  52           HB2      PHE  52  43.790 -22.260  84.420
 1226    HB3  PHE  52           HB1      PHE  52  44.525 -20.777  83.815
 1227    HD1  PHE  52           HD1      PHE  52  44.738 -24.516  83.452
 1228    HD2  PHE  52           HD2      PHE  52  45.135 -20.670  81.569
 1229    HE1  PHE  52           HE1      PHE  52  45.037 -25.609  81.240
 1230    HE2  PHE  52           HE2      PHE  52  45.438 -21.774  79.374
 1231    HZ   PHE  52           HZ       PHE  52  45.380 -24.243  79.209
 1232    H    THR  53           HN       THR  53  46.415 -19.527  85.293
 1233    HA   THR  53           HA       THR  53  44.790 -19.298  87.710
 1234    HB   THR  53           HB       THR  53  46.502 -18.482  89.177
 1235    HG1  THR  53           HG1      THR  53  47.712 -17.593  87.323
 1236   HG21  THR  53          HG21      THR  53  47.846 -20.445  89.555
 1237   HG22  THR  53          HG22      THR  53  47.661 -20.960  87.879
 1238   HG23  THR  53          HG23      THR  53  46.283 -20.981  88.963
 1239    H    VAL  54           HN       VAL  54  43.745 -17.266  87.701
 1240    HA   VAL  54           HA       VAL  54  44.955 -15.174  85.984
 1241    HB   VAL  54           HB       VAL  54  42.780 -15.996  85.167
 1242   HG11  VAL  54          HG11      VAL  54  41.952 -16.525  87.521
 1243   HG12  VAL  54          HG12      VAL  54  40.780 -15.751  86.453
 1244   HG13  VAL  54          HG13      VAL  54  41.611 -14.804  87.684
 1245   HG21  VAL  54          HG21      VAL  54  41.778 -13.792  84.855
 1246   HG22  VAL  54          HG22      VAL  54  43.533 -13.611  84.839
 1247   HG23  VAL  54          HG23      VAL  54  42.615 -13.171  86.280
 1248    H    THR  55           HN       THR  55  45.627 -13.336  86.953
 1249    HA   THR  55           HA       THR  55  44.597 -12.675  89.658
 1250    HB   THR  55           HB       THR  55  47.030 -13.639  89.388
 1251    HG1  THR  55           HG1      THR  55  46.509 -11.243  90.806
 1252   HG21  THR  55          HG21      THR  55  48.720 -12.034  88.874
 1253   HG22  THR  55          HG22      THR  55  47.576 -10.709  88.847
 1254   HG23  THR  55          HG23      THR  55  47.555 -11.926  87.574
 1255    H    GLU  56           HN       GLU  56  43.625 -10.689  89.797
 1256    HA   GLU  56           HA       GLU  56  44.340  -8.640  87.766
 1257    HB2  GLU  56           HB2      GLU  56  42.020  -7.695  88.666
 1258    HB3  GLU  56           HB1      GLU  56  42.067  -8.957  87.436
 1259    HG2  GLU  56           HG2      GLU  56  41.810 -10.680  89.146
 1260    HG3  GLU  56           HG1      GLU  56  41.830  -9.455  90.413
 1261    H1   MET   1           HT1      MET   1  63.975 -16.641  99.225
 1262    H2   MET   1           HT2      MET   1  62.285 -16.641  99.069
 1263    H3   MET   1           HT3      MET   1  63.112 -18.095  99.357
 1264    HA   MET   1           HA       MET   1  63.287 -15.853 101.250
 1265    HB2  MET   1           HB2      MET   1  61.219 -16.217 102.163
 1266    HB3  MET   1           HB1      MET   1  60.820 -16.888 100.593
 1267    HG2  MET   1           HG2      MET   1  61.724 -18.450 103.039
 1268    HG3  MET   1           HG1      MET   1  60.118 -18.460 102.315
 1269    HE1  MET   1           HE1      MET   1  59.325 -19.923 100.638
 1270    HE2  MET   1           HE2      MET   1  60.235 -20.498  99.250
 1271    HE3  MET   1           HE3      MET   1  60.019 -18.773  99.497
 1272    H    GLN   2           HN       GLN   2  63.445 -17.030 103.528
 1273    HA   GLN   2           HA       GLN   2  65.457 -19.185 103.218
 1274    HB2  GLN   2           HB2      GLN   2  65.276 -16.897 105.190
 1275    HB3  GLN   2           HB1      GLN   2  66.390 -18.250 105.369
 1276    HG2  GLN   2           HG2      GLN   2  67.511 -17.699 103.310
 1277    HG3  GLN   2           HG1      GLN   2  66.285 -16.504 102.896
 1278   HE21  GLN   2          HE21      GLN   2  69.460 -16.604 104.048
 1279   HE22  GLN   2          HE22      GLN   2  69.456 -15.191 104.989
 1280    H    TYR   3           HN       TYR   3  65.499 -20.828 104.672
 1281    HA   TYR   3           HA       TYR   3  63.131 -21.169 106.414
 1282    HB2  TYR   3           HB2      TYR   3  64.832 -23.230 105.016
 1283    HB3  TYR   3           HB1      TYR   3  63.451 -23.564 106.059
 1284    HD1  TYR   3           HD1      TYR   3  61.183 -22.783 105.396
 1285    HD2  TYR   3           HD2      TYR   3  64.553 -22.507 102.760
 1286    HE1  TYR   3           HE1      TYR   3  59.651 -22.497 103.472
 1287    HE2  TYR   3           HE2      TYR   3  63.020 -22.207 100.834
 1288    HH   TYR   3           HH       TYR   3  59.872 -22.976 100.863
 1289    H    LYS   4           HN       LYS   4  63.546 -21.931 108.483
 1290    HA   LYS   4           HA       LYS   4  66.419 -21.944 109.265
 1291    HB2  LYS   4           HB2      LYS   4  65.306 -19.984 110.138
 1292    HB3  LYS   4           HB1      LYS   4  63.976 -20.959 110.753
 1293    HG2  LYS   4           HG2      LYS   4  65.464 -22.046 112.362
 1294    HG3  LYS   4           HG1      LYS   4  66.856 -21.193 111.700
 1295    HD2  LYS   4           HD2      LYS   4  64.549 -19.485 112.589
 1296    HD3  LYS   4           HD1      LYS   4  65.463 -20.287 113.863
 1297    HE2  LYS   4           HE2      LYS   4  66.942 -18.809 111.702
 1298    HE3  LYS   4           HE1      LYS   4  66.220 -17.914 113.041
 1299    HZ1  LYS   4           HZ1      LYS   4  68.517 -19.641 113.019
 1300    HZ2  LYS   4           HZ2      LYS   4  67.430 -19.990 114.277
 1301    HZ3  LYS   4           HZ3      LYS   4  68.082 -18.429 114.122
 1302    H    LEU   5           HN       LEU   5  67.165 -23.799 110.105
 1303    HA   LEU   5           HA       LEU   5  65.205 -25.795 111.070
 1304    HB2  LEU   5           HB2      LEU   5  66.593 -26.573 109.220
 1305    HB3  LEU   5           HB1      LEU   5  68.042 -26.100 110.068
 1306    HG   LEU   5           HG       LEU   5  67.291 -28.628 109.997
 1307   HD11  LEU   5          HD11      LEU   5  68.345 -27.317 112.502
 1308   HD12  LEU   5          HD12      LEU   5  69.277 -27.927 111.141
 1309   HD13  LEU   5          HD13      LEU   5  68.389 -29.043 112.172
 1310   HD21  LEU   5          HD21      LEU   5  65.017 -28.034 111.064
 1311   HD22  LEU   5          HD22      LEU   5  65.918 -27.925 112.567
 1312   HD23  LEU   5          HD23      LEU   5  65.884 -29.429 111.674
 1313    H    ILE   6           HN       ILE   6  65.143 -26.252 113.199
 1314    HA   ILE   6           HA       ILE   6  67.183 -25.030 114.959
 1315    HB   ILE   6           HB       ILE   6  64.602 -26.396 115.754
 1316   HG12  ILE   6          HG12      ILE   6  64.089 -24.507 114.268
 1317   HG13  ILE   6          HG11      ILE   6  63.635 -24.126 115.926
 1318   HG21  ILE   6          HG21      ILE   6  66.533 -24.548 117.166
 1319   HG22  ILE   6          HG22      ILE   6  66.193 -26.236 117.548
 1320   HG23  ILE   6          HG23      ILE   6  64.957 -25.005 117.816
 1321   HD11  ILE   6          HD11      ILE   6  64.726 -22.190 115.104
 1322   HD12  ILE   6          HD12      ILE   6  66.011 -23.132 114.354
 1323   HD13  ILE   6          HD13      ILE   6  65.933 -22.988 116.108
 1324    H    LEU   7           HN       LEU   7  68.598 -26.227 115.995
 1325    HA   LEU   7           HA       LEU   7  68.576 -29.119 115.532
 1326    HB2  LEU   7           HB2      LEU   7  70.634 -27.163 116.547
 1327    HB3  LEU   7           HB1      LEU   7  70.850 -28.893 116.763
 1328    HG   LEU   7           HG       LEU   7  70.248 -28.831 114.085
 1329   HD11  LEU   7          HD11      LEU   7  71.282 -26.960 113.019
 1330   HD12  LEU   7          HD12      LEU   7  71.913 -26.352 114.549
 1331   HD13  LEU   7          HD13      LEU   7  70.180 -26.293 114.225
 1332   HD21  LEU   7          HD21      LEU   7  72.195 -29.918 115.149
 1333   HD22  LEU   7          HD22      LEU   7  72.980 -28.348 115.301
 1334   HD23  LEU   7          HD23      LEU   7  72.664 -29.025 113.703
 1335    H    ASN   8           HN       ASN   8  67.527 -30.311 116.900
 1336    HA   ASN   8           HA       ASN   8  67.911 -29.900 119.789
 1337    HB2  ASN   8           HB2      ASN   8  65.455 -30.807 119.881
 1338    HB3  ASN   8           HB1      ASN   8  65.730 -29.093 119.580
 1339   HD21  ASN   8          HD21      ASN   8  63.800 -31.522 118.525
 1340   HD22  ASN   8          HD22      ASN   8  63.616 -31.076 116.898
 1341    H    GLY   9           HN       GLY   9  69.500 -31.540 119.584
 1342    HA2  GLY   9           HA2      GLY   9  68.422 -34.251 119.013
 1343    HA3  GLY   9           HA1      GLY   9  70.057 -33.761 118.593
 1344    H    LYS  10           HN       LYS  10  70.820 -35.542 119.845
 1345    HA   LYS  10           HA       LYS  10  70.267 -35.703 122.631
 1346    HB2  LYS  10           HB2      LYS  10  72.754 -36.863 121.376
 1347    HB3  LYS  10           HB1      LYS  10  71.786 -37.496 122.708
 1348    HG2  LYS  10           HG2      LYS  10  69.872 -37.600 120.878
 1349    HG3  LYS  10           HG1      LYS  10  71.225 -37.575 119.749
 1350    HD2  LYS  10           HD2      LYS  10  72.213 -39.520 121.002
 1351    HD3  LYS  10           HD1      LYS  10  70.725 -39.597 121.947
 1352    HE2  LYS  10           HE2      LYS  10  69.442 -39.843 119.810
 1353    HE3  LYS  10           HE1      LYS  10  70.975 -39.917 118.942
 1354    HZ1  LYS  10           HZ1      LYS  10  71.396 -41.983 119.679
 1355    HZ2  LYS  10           HZ2      LYS  10  69.712 -42.057 119.894
 1356    HZ3  LYS  10           HZ3      LYS  10  70.726 -41.706 121.212
 1357    H    THR  11           HN       THR  11  73.159 -34.425 120.842
 1358    HA   THR  11           HA       THR  11  73.633 -32.653 123.165
 1359    HB   THR  11           HB       THR  11  76.106 -32.969 122.729
 1360    HG1  THR  11           HG1      THR  11  75.541 -35.439 121.629
 1361   HG21  THR  11          HG21      THR  11  74.829 -34.031 124.595
 1362   HG22  THR  11          HG22      THR  11  76.197 -34.997 124.051
 1363   HG23  THR  11          HG23      THR  11  74.562 -35.433 123.561
 1364    H    LEU  12           HN       LEU  12  73.207 -32.961 119.814
 1365    HA   LEU  12           HA       LEU  12  74.730 -30.583 119.152
 1366    HB2  LEU  12           HB2      LEU  12  73.900 -32.869 117.747
 1367    HB3  LEU  12           HB1      LEU  12  72.903 -31.589 117.070
 1368    HG   LEU  12           HG       LEU  12  75.924 -31.716 117.194
 1369   HD11  LEU  12          HD11      LEU  12  75.735 -31.573 114.754
 1370   HD12  LEU  12          HD12      LEU  12  73.986 -31.395 114.886
 1371   HD13  LEU  12          HD13      LEU  12  74.756 -32.913 115.348
 1372   HD21  LEU  12          HD21      LEU  12  75.834 -29.453 117.472
 1373   HD22  LEU  12          HD22      LEU  12  74.120 -29.362 117.076
 1374   HD23  LEU  12          HD23      LEU  12  75.322 -29.407 115.791
 1375    H    LYS  13           HN       LYS  13  73.889 -28.639 119.684
 1376    HA   LYS  13           HA       LYS  13  71.083 -28.113 118.958
 1377    HB2  LYS  13           HB2      LYS  13  72.316 -27.584 121.671
 1378    HB3  LYS  13           HB1      LYS  13  70.885 -26.737 121.102
 1379    HG2  LYS  13           HG2      LYS  13  69.717 -28.465 122.043
 1380    HG3  LYS  13           HG1      LYS  13  70.165 -29.361 120.600
 1381    HD2  LYS  13           HD2      LYS  13  72.379 -29.860 122.036
 1382    HD3  LYS  13           HD1      LYS  13  71.285 -29.543 123.382
 1383    HE2  LYS  13           HE2      LYS  13  71.094 -31.873 123.012
 1384    HE3  LYS  13           HE1      LYS  13  69.680 -31.197 122.202
 1385    HZ1  LYS  13           HZ1      LYS  13  70.492 -31.688 120.176
 1386    HZ2  LYS  13           HZ2      LYS  13  71.394 -32.852 121.022
 1387    HZ3  LYS  13           HZ3      LYS  13  72.096 -31.364 120.607
 1388    H    GLY  14           HN       GLY  14  70.714 -26.214 118.081
 1389    HA2  GLY  14           HA2      GLY  14  71.983 -23.788 118.464
 1390    HA3  GLY  14           HA1      GLY  14  72.876 -24.597 117.175
 1391    H    GLU  15           HN       GLU  15  72.118 -22.969 115.623
 1392    HA   GLU  15           HA       GLU  15  69.323 -23.431 114.730
 1393    HB2  GLU  15           HB2      GLU  15  70.848 -20.839 114.419
 1394    HB3  GLU  15           HB1      GLU  15  69.168 -21.156 113.988
 1395    HG2  GLU  15           HG2      GLU  15  70.222 -21.430 116.794
 1396    HG3  GLU  15           HG1      GLU  15  69.531 -19.938 116.169
 1397    H    THR  16           HN       THR  16  69.034 -23.167 112.394
 1398    HA   THR  16           HA       THR  16  71.474 -23.095 110.776
 1399    HB   THR  16           HB       THR  16  70.087 -25.266 109.659
 1400    HG1  THR  16           HG1      THR  16  70.059 -25.292 112.472
 1401   HG21  THR  16          HG21      THR  16  72.016 -26.586 110.508
 1402   HG22  THR  16          HG22      THR  16  72.493 -25.188 111.473
 1403   HG23  THR  16          HG23      THR  16  72.485 -25.084 109.712
 1404    H    THR  17           HN       THR  17  71.104 -22.474 108.637
 1405    HA   THR  17           HA       THR  17  68.318 -22.100 107.819
 1406    HB   THR  17           HB       THR  17  70.115 -19.709 107.582
 1407    HG1  THR  17           HG1      THR  17  68.420 -20.124 109.789
 1408   HG21  THR  17          HG21      THR  17  67.146 -19.861 108.112
 1409   HG22  THR  17          HG22      THR  17  67.797 -19.978 106.480
 1410   HG23  THR  17          HG23      THR  17  68.066 -18.527 107.429
 1411    H    THR  18           HN       THR  18  68.062 -21.401 105.599
 1412    HA   THR  18           HA       THR  18  70.328 -21.571 103.830
 1413    HB   THR  18           HB       THR  18  69.574 -23.971 104.334
 1414    HG1  THR  18           HG1      THR  18  70.426 -24.304 102.463
 1415   HG21  THR  18          HG21      THR  18  67.555 -24.759 103.423
 1416   HG22  THR  18          HG22      THR  18  67.328 -23.315 102.440
 1417   HG23  THR  18          HG23      THR  18  67.092 -23.236 104.185
 1418    H    GLU  19           HN       GLU  19  69.785 -20.873 101.716
 1419    HA   GLU  19           HA       GLU  19  67.316 -19.248 101.572
 1420    HB2  GLU  19           HB2      GLU  19  69.352 -17.969 101.288
 1421    HB3  GLU  19           HB1      GLU  19  69.991 -19.141 100.139
 1422    HG2  GLU  19           HG2      GLU  19  69.069 -17.066  99.071
 1423    HG3  GLU  19           HG1      GLU  19  68.304 -18.549  98.507
 1424    H    ALA  20           HN       ALA  20  65.679 -20.155 100.380
 1425    HA   ALA  20           HA       ALA  20  66.348 -21.581  97.912
 1426    HB1  ALA  20           HB1      ALA  20  66.420 -23.491  99.253
 1427    HB2  ALA  20           HB2      ALA  20  64.717 -23.456  98.807
 1428    HB3  ALA  20           HB3      ALA  20  65.224 -22.866 100.388
 1429    H    VAL  21           HN       VAL  21  64.515 -22.090  96.633
 1430    HA   VAL  21           HA       VAL  21  62.422 -20.082  96.809
 1431    HB   VAL  21           HB       VAL  21  63.137 -20.265  94.587
 1432   HG11  VAL  21          HG11      VAL  21  63.727 -22.543  93.630
 1433   HG12  VAL  21          HG12      VAL  21  63.571 -23.172  95.268
 1434   HG13  VAL  21          HG13      VAL  21  64.786 -21.946  94.902
 1435   HG21  VAL  21          HG21      VAL  21  60.640 -20.986  94.828
 1436   HG22  VAL  21          HG22      VAL  21  61.227 -22.617  94.519
 1437   HG23  VAL  21          HG23      VAL  21  61.453 -21.357  93.311
 1438    H    ASP  22           HN       ASP  22  62.953 -23.552  96.916
 1439    HA   ASP  22           HA       ASP  22  60.077 -23.946  97.524
 1440    HB2  ASP  22           HB2      ASP  22  61.152 -25.314  95.727
 1441    HB3  ASP  22           HB1      ASP  22  62.131 -26.063  96.982
 1442    H    ALA  23           HN       ALA  23  59.390 -25.089  99.247
 1443    HA   ALA  23           HA       ALA  23  60.936 -24.837 101.655
 1444    HB1  ALA  23           HB1      ALA  23  58.942 -26.127 102.619
 1445    HB2  ALA  23           HB2      ALA  23  58.239 -26.011 101.006
 1446    HB3  ALA  23           HB3      ALA  23  58.600 -24.546 101.918
 1447    H    ALA  24           HN       ALA  24  59.878 -27.528  99.590
 1448    HA   ALA  24           HA       ALA  24  60.966 -29.592 101.217
 1449    HB1  ALA  24           HB1      ALA  24  59.248 -29.999  99.460
 1450    HB2  ALA  24           HB2      ALA  24  60.654 -31.047  99.275
 1451    HB3  ALA  24           HB3      ALA  24  60.456 -29.644  98.224
 1452    H    THR  25           HN       THR  25  62.423 -27.784  98.348
 1453    HA   THR  25           HA       THR  25  64.798 -29.286  98.190
 1454    HB   THR  25           HB       THR  25  63.921 -27.426  96.571
 1455    HG1  THR  25           HG1      THR  25  66.142 -28.642  96.900
 1456   HG21  THR  25          HG21      THR  25  65.948 -25.643  97.872
 1457   HG22  THR  25          HG22      THR  25  64.347 -25.695  98.606
 1458   HG23  THR  25          HG23      THR  25  64.525 -25.207  96.921
 1459    H    ALA  26           HN       ALA  26  63.812 -26.779 100.431
 1460    HA   ALA  26           HA       ALA  26  66.391 -26.118 101.428
 1461    HB1  ALA  26           HB1      ALA  26  63.851 -25.950 103.045
 1462    HB2  ALA  26           HB2      ALA  26  64.166 -24.837 101.715
 1463    HB3  ALA  26           HB3      ALA  26  65.257 -24.890 103.098
 1464    H    GLU  27           HN       GLU  27  64.033 -28.549 102.207
 1465    HA   GLU  27           HA       GLU  27  65.206 -29.493 104.622
 1466    HB2  GLU  27           HB2      GLU  27  63.326 -30.779 104.714
 1467    HB3  GLU  27           HB1      GLU  27  62.817 -29.926 103.261
 1468    HG2  GLU  27           HG2      GLU  27  64.011 -31.700 101.905
 1469    HG3  GLU  27           HG1      GLU  27  64.271 -32.584 103.402
 1470    H    LYS  28           HN       LYS  28  65.736 -30.206 101.236
 1471    HA   LYS  28           HA       LYS  28  66.968 -32.699 101.452
 1472    HB2  LYS  28           HB2      LYS  28  67.554 -30.416  99.550
 1473    HB3  LYS  28           HB1      LYS  28  68.181 -32.054  99.358
 1474    HG2  LYS  28           HG2      LYS  28  65.812 -32.891  99.402
 1475    HG3  LYS  28           HG1      LYS  28  65.273 -31.214  99.385
 1476    HD2  LYS  28           HD2      LYS  28  66.585 -30.881  97.251
 1477    HD3  LYS  28           HD1      LYS  28  66.925 -32.611  97.247
 1478    HE2  LYS  28           HE2      LYS  28  64.664 -33.189  96.854
 1479    HE3  LYS  28           HE1      LYS  28  64.063 -31.644  97.439
 1480    HZ1  LYS  28           HZ1      LYS  28  65.611 -30.945  95.213
 1481    HZ2  LYS  28           HZ2      LYS  28  63.917 -31.046  95.226
 1482    HZ3  LYS  28           HZ3      LYS  28  64.841 -32.374  94.711
 1483    H    VAL  29           HN       VAL  29  68.324 -29.452 101.801
 1484    HA   VAL  29           HA       VAL  29  70.996 -30.355 102.246
 1485    HB   VAL  29           HB       VAL  29  69.780 -27.749 103.175
 1486   HG11  VAL  29          HG11      VAL  29  72.581 -28.597 102.376
 1487   HG12  VAL  29          HG12      VAL  29  72.033 -28.213 104.009
 1488   HG13  VAL  29          HG13      VAL  29  72.106 -26.948 102.782
 1489   HG21  VAL  29          HG21      VAL  29  70.782 -28.608 100.448
 1490   HG22  VAL  29          HG22      VAL  29  70.628 -26.915 100.922
 1491   HG23  VAL  29          HG23      VAL  29  69.199 -27.946 100.852
 1492    H    PHE  30           HN       PHE  30  68.439 -29.159 104.419
 1493    HA   PHE  30           HA       PHE  30  69.795 -29.515 106.834
 1494    HB2  PHE  30           HB2      PHE  30  66.841 -29.567 106.291
 1495    HB3  PHE  30           HB1      PHE  30  67.571 -29.428 107.881
 1496    HD1  PHE  30           HD2      PHE  30  69.695 -27.506 107.724
 1497    HD2  PHE  30           HD1      PHE  30  65.975 -27.533 105.560
 1498    HE1  PHE  30           HE2      PHE  30  69.858 -25.066 107.388
 1499    HE2  PHE  30           HE1      PHE  30  66.146 -25.096 105.259
 1500    HZ   PHE  30           HZ       PHE  30  68.082 -23.859 106.176
 1501    H    LYS  31           HN       LYS  31  67.559 -31.781 105.175
 1502    HA   LYS  31           HA       LYS  31  67.697 -33.675 107.310
 1503    HB2  LYS  31           HB2      LYS  31  66.686 -33.772 104.480
 1504    HB3  LYS  31           HB1      LYS  31  66.900 -35.285 105.361
 1505    HG2  LYS  31           HG2      LYS  31  65.510 -34.235 107.241
 1506    HG3  LYS  31           HG1      LYS  31  65.117 -32.949 106.099
 1507    HD2  LYS  31           HD2      LYS  31  64.121 -34.551 104.573
 1508    HD3  LYS  31           HD1      LYS  31  64.652 -35.895 105.578
 1509    HE2  LYS  31           HE2      LYS  31  63.185 -35.261 107.357
 1510    HE3  LYS  31           HE1      LYS  31  62.818 -33.716 106.585
 1511    HZ1  LYS  31           HZ1      LYS  31  62.325 -35.966 104.885
 1512    HZ2  LYS  31           HZ2      LYS  31  61.312 -34.657 105.272
 1513    HZ3  LYS  31           HZ3      LYS  31  61.392 -36.008 106.301
 1514    H    GLN  32           HN       GLN  32  69.467 -33.306 104.267
 1515    HA   GLN  32           HA       GLN  32  71.005 -35.695 104.602
 1516    HB2  GLN  32           HB2      GLN  32  70.571 -34.425 102.441
 1517    HB3  GLN  32           HB1      GLN  32  71.764 -33.254 103.003
 1518    HG2  GLN  32           HG2      GLN  32  73.405 -35.130 103.258
 1519    HG3  GLN  32           HG1      GLN  32  72.217 -36.213 102.533
 1520   HE21  GLN  32          HE21      GLN  32  74.933 -34.355 101.743
 1521   HE22  GLN  32          HE22      GLN  32  74.604 -34.085 100.099
 1522    H    TYR  33           HN       TYR  33  71.310 -32.346 105.525
 1523    HA   TYR  33           HA       TYR  33  74.026 -32.362 106.322
 1524    HB2  TYR  33           HB2      TYR  33  72.985 -30.286 105.867
 1525    HB3  TYR  33           HB1      TYR  33  71.630 -30.672 106.920
 1526    HD1  TYR  33           HD1      TYR  33  75.206 -29.795 106.826
 1527    HD2  TYR  33           HD2      TYR  33  71.728 -30.345 109.289
 1528    HE1  TYR  33           HE1      TYR  33  76.373 -28.700 108.719
 1529    HE2  TYR  33           HE2      TYR  33  72.898 -29.253 111.184
 1530    HH   TYR  33           HH       TYR  33  75.282 -27.342 111.009
 1531    H    ALA  34           HN       ALA  34  70.976 -33.040 107.951
 1532    HA   ALA  34           HA       ALA  34  71.863 -33.048 110.607
 1533    HB1  ALA  34           HB1      ALA  34  69.622 -34.402 109.139
 1534    HB2  ALA  34           HB2      ALA  34  69.542 -33.168 110.394
 1535    HB3  ALA  34           HB3      ALA  34  69.936 -34.831 110.819
 1536    H    ASN  35           HN       ASN  35  72.045 -35.623 108.078
 1537    HA   ASN  35           HA       ASN  35  72.892 -37.683 109.804
 1538    HB2  ASN  35           HB2      ASN  35  72.156 -37.607 107.223
 1539    HB3  ASN  35           HB1      ASN  35  73.901 -37.571 106.987
 1540   HD21  ASN  35          HD21      ASN  35  74.737 -39.722 106.721
 1541   HD22  ASN  35          HD22      ASN  35  74.119 -41.089 107.515
 1542    H    ASP  36           HN       ASP  36  74.653 -35.271 107.862
 1543    HA   ASP  36           HA       ASP  36  77.267 -36.122 108.562
 1544    HB2  ASP  36           HB2      ASP  36  76.587 -33.274 107.856
 1545    HB3  ASP  36           HB1      ASP  36  78.005 -34.224 107.407
 1546    H    ASN  37           HN       ASN  37  74.872 -34.241 110.224
 1547    HA   ASN  37           HA       ASN  37  76.811 -33.004 112.014
 1548    HB2  ASN  37           HB2      ASN  37  74.063 -32.587 111.169
 1549    HB3  ASN  37           HB1      ASN  37  74.183 -32.518 112.914
 1550   HD21  ASN  37          HD21      ASN  37  74.150 -30.270 113.313
 1551   HD22  ASN  37          HD22      ASN  37  75.238 -29.171 112.611
 1552    H    GLY  38           HN       GLY  38  74.635 -35.784 112.049
 1553    HA2  GLY  38           HA2      GLY  38  75.109 -37.603 113.543
 1554    HA3  GLY  38           HA1      GLY  38  75.650 -36.448 114.748
 1555    H    VAL  39           HN       VAL  39  73.011 -34.868 113.887
 1556    HA   VAL  39           HA       VAL  39  71.312 -36.330 115.829
 1557    HB   VAL  39           HB       VAL  39  71.653 -34.137 116.614
 1558   HG11  VAL  39          HG11      VAL  39  71.496 -32.139 115.245
 1559   HG12  VAL  39          HG12      VAL  39  71.021 -33.097 113.845
 1560   HG13  VAL  39          HG13      VAL  39  72.640 -33.253 114.512
 1561   HG21  VAL  39          HG21      VAL  39  69.486 -33.046 116.479
 1562   HG22  VAL  39          HG22      VAL  39  69.234 -34.786 116.530
 1563   HG23  VAL  39          HG23      VAL  39  69.090 -33.921 115.007
 1564    H    ASP  40           HN       ASP  40  69.982 -37.695 114.864
 1565    HA   ASP  40           HA       ASP  40  68.343 -36.744 112.575
 1566    HB2  ASP  40           HB2      ASP  40  70.168 -38.529 112.070
 1567    HB3  ASP  40           HB1      ASP  40  69.122 -39.637 112.952
 1568    H    GLY  41           HN       GLY  41  66.274 -36.451 113.440
 1569    HA2  GLY  41           HA2      GLY  41  65.163 -38.707 115.000
 1570    HA3  GLY  41           HA1      GLY  41  65.112 -37.098 115.697
 1571    H    GLU  42           HN       GLU  42  62.750 -37.152 115.735
 1572    HA   GLU  42           HA       GLU  42  61.319 -37.556 113.316
 1573    HB2  GLU  42           HB2      GLU  42  60.114 -36.127 115.663
 1574    HB3  GLU  42           HB1      GLU  42  59.396 -37.321 114.588
 1575    HG2  GLU  42           HG2      GLU  42  61.438 -37.831 116.765
 1576    HG3  GLU  42           HG1      GLU  42  59.762 -38.371 116.734
 1577    H    TRP  43           HN       TRP  43  60.801 -36.132 111.842
 1578    HA   TRP  43           HA       TRP  43  61.762 -33.380 112.120
 1579    HB2  TRP  43           HB2      TRP  43  60.976 -35.085 109.760
 1580    HB3  TRP  43           HB1      TRP  43  61.372 -33.370 109.628
 1581    HD1  TRP  43           HD1      TRP  43  62.993 -36.763 110.478
 1582    HE1  TRP  43           HE1      TRP  43  65.554 -36.472 110.406
 1583    HE3  TRP  43           HE3      TRP  43  63.262 -31.738 109.784
 1584    HZ2  TRP  43           HZ2      TRP  43  67.462 -34.374 110.061
 1585    HZ3  TRP  43           HZ3      TRP  43  65.446 -30.618 109.574
 1586    HH2  TRP  43           HH2      TRP  43  67.550 -31.919 109.710
 1587    H    THR  44           HN       THR  44  60.603 -31.711 111.202
 1588    HA   THR  44           HA       THR  44  57.753 -31.899 110.777
 1589    HB   THR  44           HB       THR  44  57.740 -31.779 113.205
 1590    HG1  THR  44           HG1      THR  44  56.185 -30.462 112.657
 1591   HG21  THR  44          HG21      THR  44  59.864 -29.694 112.739
 1592   HG22  THR  44          HG22      THR  44  59.829 -31.018 113.903
 1593   HG23  THR  44          HG23      THR  44  58.834 -29.589 114.165
 1594    H    TYR  45           HN       TYR  45  56.929 -29.674 110.067
 1595    HA   TYR  45           HA       TYR  45  58.985 -27.704 109.521
 1596    HB2  TYR  45           HB2      TYR  45  59.445 -29.027 107.627
 1597    HB3  TYR  45           HB1      TYR  45  57.743 -29.360 107.340
 1598    HD1  TYR  45           HD1      TYR  45  59.729 -26.202 107.913
 1599    HD2  TYR  45           HD2      TYR  45  56.988 -28.338 105.386
 1600    HE1  TYR  45           HE1      TYR  45  59.592 -24.252 106.398
 1601    HE2  TYR  45           HE2      TYR  45  56.854 -26.385 103.876
 1602    HH   TYR  45           HH       TYR  45  57.493 -24.307 103.512
 1603    H    ASP  46           HN       ASP  46  58.108 -25.822 109.890
 1604    HA   ASP  46           HA       ASP  46  55.205 -25.496 109.487
 1605    HB2  ASP  46           HB2      ASP  46  56.010 -24.802 111.708
 1606    HB3  ASP  46           HB1      ASP  46  57.193 -23.721 110.952
 1607    H    ASP  47           HN       ASP  47  54.710 -24.764 107.424
 1608    HA   ASP  47           HA       ASP  47  56.686 -23.298 105.880
 1609    HB2  ASP  47           HB2      ASP  47  55.039 -25.087 105.000
 1610    HB3  ASP  47           HB1      ASP  47  53.833 -23.804 105.051
 1611    H    ALA  48           HN       ALA  48  54.305 -22.539 108.104
 1612    HA   ALA  48           HA       ALA  48  53.468 -20.023 106.958
 1613    HB1  ALA  48           HB1      ALA  48  52.116 -19.803 108.860
 1614    HB2  ALA  48           HB2      ALA  48  53.193 -20.782 109.857
 1615    HB3  ALA  48           HB3      ALA  48  52.191 -21.549 108.624
 1616    H    THR  49           HN       THR  49  56.134 -21.147 108.942
 1617    HA   THR  49           HA       THR  49  57.058 -18.355 109.316
 1618    HB   THR  49           HB       THR  49  58.246 -19.413 111.428
 1619    HG1  THR  49           HG1      THR  49  55.963 -20.969 111.615
 1620   HG21  THR  49          HG21      THR  49  55.284 -18.810 111.356
 1621   HG22  THR  49          HG22      THR  49  56.587 -17.645 111.593
 1622   HG23  THR  49          HG23      THR  49  56.265 -18.871 112.820
 1623    H    LYS  50           HN       LYS  50  57.548 -20.911 107.462
 1624    HA   LYS  50           HA       LYS  50  59.369 -21.959 106.524
 1625    HB2  LYS  50           HB2      LYS  50  60.848 -19.384 107.052
 1626    HB3  LYS  50           HB1      LYS  50  60.992 -20.463 105.669
 1627    HG2  LYS  50           HG2      LYS  50  58.458 -18.908 106.285
 1628    HG3  LYS  50           HG1      LYS  50  59.729 -18.305 105.231
 1629    HD2  LYS  50           HD2      LYS  50  59.479 -20.216 103.750
 1630    HD3  LYS  50           HD1      LYS  50  58.276 -20.933 104.820
 1631    HE2  LYS  50           HE2      LYS  50  56.761 -19.074 104.435
 1632    HE3  LYS  50           HE1      LYS  50  57.982 -18.248 103.471
 1633    HZ1  LYS  50           HZ1      LYS  50  56.555 -19.321 101.958
 1634    HZ2  LYS  50           HZ2      LYS  50  56.578 -20.774 102.838
 1635    HZ3  LYS  50           HZ3      LYS  50  57.966 -20.262 102.003
 1636    H    THR  51           HN       THR  51  59.200 -22.881 109.055
 1637    HA   THR  51           HA       THR  51  62.032 -22.880 109.962
 1638    HB   THR  51           HB       THR  51  59.597 -22.594 111.750
 1639    HG1  THR  51           HG1      THR  51  61.302 -20.804 112.334
 1640   HG21  THR  51          HG21      THR  51  62.491 -23.241 112.351
 1641   HG22  THR  51          HG22      THR  51  61.044 -24.071 112.925
 1642   HG23  THR  51          HG23      THR  51  61.450 -22.472 113.550
 1643    H    PHE  52           HN       PHE  52  62.907 -24.899 110.174
 1644    HA   PHE  52           HA       PHE  52  61.116 -27.248 110.332
 1645    HB2  PHE  52           HB2      PHE  52  63.960 -26.856 109.395
 1646    HB3  PHE  52           HB1      PHE  52  63.224 -28.444 109.608
 1647    HD1  PHE  52           HD1      PHE  52  62.668 -25.150 107.893
 1648    HD2  PHE  52           HD2      PHE  52  62.025 -29.400 107.851
 1649    HE1  PHE  52           HE1      PHE  52  61.710 -25.003 105.607
 1650    HE2  PHE  52           HE2      PHE  52  61.063 -29.234 105.576
 1651    HZ   PHE  52           HZ       PHE  52  60.911 -27.033 104.453
 1652    H    THR  53           HN       THR  53  61.822 -29.003 111.824
 1653    HA   THR  53           HA       THR  53  63.954 -28.367 113.700
 1654    HB   THR  53           HB       THR  53  62.710 -28.435 115.726
 1655    HG1  THR  53           HG1      THR  53  61.163 -29.976 114.710
 1656   HG21  THR  53          HG21      THR  53  61.248 -26.492 115.597
 1657   HG22  THR  53          HG22      THR  53  61.113 -26.671 113.849
 1658   HG23  THR  53          HG23      THR  53  62.650 -26.232 114.573
 1659    H    VAL  54           HN       VAL  54  65.043 -30.296 114.239
 1660    HA   VAL  54           HA       VAL  54  63.560 -32.837 113.764
 1661    HB   VAL  54           HB       VAL  54  65.456 -32.457 112.217
 1662   HG11  VAL  54          HG11      VAL  54  66.758 -31.095 113.927
 1663   HG12  VAL  54          HG12      VAL  54  67.705 -32.261 113.004
 1664   HG13  VAL  54          HG13      VAL  54  67.227 -32.626 114.658
 1665   HG21  VAL  54          HG21      VAL  54  66.482 -34.637 112.508
 1666   HG22  VAL  54          HG22      VAL  54  64.800 -34.768 113.023
 1667   HG23  VAL  54          HG23      VAL  54  66.084 -34.649 114.227
 1668    H    THR  55           HN       THR  55  63.172 -34.066 115.526
 1669    HA   THR  55           HA       THR  55  64.846 -33.686 117.949
 1670    HB   THR  55           HB       THR  55  62.419 -32.711 117.923
 1671    HG1  THR  55           HG1      THR  55  63.317 -34.449 119.970
 1672   HG21  THR  55          HG21      THR  55  60.645 -34.211 118.445
 1673   HG22  THR  55          HG22      THR  55  61.754 -35.558 118.700
 1674   HG23  THR  55          HG23      THR  55  61.478 -34.939 117.073
 1675    H    GLU  56           HN       GLU  56  65.920 -35.501 118.567
 1676    HA   GLU  56           HA       GLU  56  64.804 -38.137 117.779
 1677    HB2  GLU  56           HB2      GLU  56  67.304 -38.790 118.431
 1678    HB3  GLU  56           HB1      GLU  56  66.926 -38.120 116.845
 1679    HG2  GLU  56           HG2      GLU  56  67.515 -35.876 117.617
 1680    HG3  GLU  56           HG1      GLU  56  67.842 -36.500 119.234
 1681    H1   MET   1           HT1      MET   1  54.908  17.092  96.479
 1682    H2   MET   1           HT2      MET   1  53.276  17.256  96.034
 1683    H3   MET   1           HT3      MET   1  53.943  15.713  96.275
 1684    HA   MET   1           HA       MET   1  53.771  17.756  98.405
 1685    HB2  MET   1           HB2      MET   1  51.579  17.232  98.795
 1686    HB3  MET   1           HB1      MET   1  51.584  16.525  97.187
 1687    HG2  MET   1           HG2      MET   1  52.136  15.047  99.787
 1688    HG3  MET   1           HG1      MET   1  50.682  14.930  98.808
 1689    HE1  MET   1           HE1      MET   1  50.276  13.307  97.102
 1690    HE2  MET   1           HE2      MET   1  51.433  12.892  95.844
 1691    HE3  MET   1           HE3      MET   1  50.984  14.571  96.090
 1692    H    GLN   2           HN       GLN   2  53.712  16.415 100.582
 1693    HA   GLN   2           HA       GLN   2  55.807  14.320 100.416
 1694    HB2  GLN   2           HB2      GLN   2  55.384  16.543 102.422
 1695    HB3  GLN   2           HB1      GLN   2  56.436  15.165 102.733
 1696    HG2  GLN   2           HG2      GLN   2  57.865  15.729 100.888
 1697    HG3  GLN   2           HG1      GLN   2  56.724  16.935 100.294
 1698   HE21  GLN   2          HE21      GLN   2  59.655  16.742 102.039
 1699   HE22  GLN   2          HE22      GLN   2  59.520  18.182 102.928
 1700    H    TYR   3           HN       TYR   3  55.707  12.623 101.847
 1701    HA   TYR   3           HA       TYR   3  53.114  12.183 103.209
 1702    HB2  TYR   3           HB2      TYR   3  55.054  10.200 102.030
 1703    HB3  TYR   3           HB1      TYR   3  53.539   9.808 102.843
 1704    HD1  TYR   3           HD1      TYR   3  51.378  10.657 101.891
 1705    HD2  TYR   3           HD2      TYR   3  55.091  10.870  99.752
 1706    HE1  TYR   3           HE1      TYR   3  50.139  10.910  99.765
 1707    HE2  TYR   3           HE2      TYR   3  53.845  11.137  97.622
 1708    HH   TYR   3           HH       TYR   3  50.714  10.355  97.243
 1709    H    LYS   4           HN       LYS   4  53.205  11.378 105.289
 1710    HA   LYS   4           HA       LYS   4  55.916  11.316 106.520
 1711    HB2  LYS   4           HB2      LYS   4  54.691  13.260 107.269
 1712    HB3  LYS   4           HB1      LYS   4  53.272  12.285 107.627
 1713    HG2  LYS   4           HG2      LYS   4  54.468  11.129 109.422
 1714    HG3  LYS   4           HG1      LYS   4  55.956  11.985 109.022
 1715    HD2  LYS   4           HD2      LYS   4  53.543  13.689 109.582
 1716    HD3  LYS   4           HD1      LYS   4  54.244  12.844 110.959
 1717    HE2  LYS   4           HE2      LYS   4  56.048  14.371 109.100
 1718    HE3  LYS   4           HE1      LYS   4  55.128  15.233 110.334
 1719    HZ1  LYS   4           HZ1      LYS   4  57.395  13.494 110.624
 1720    HZ2  LYS   4           HZ2      LYS   4  56.122  13.114 111.684
 1721    HZ3  LYS   4           HZ3      LYS   4  56.793  14.674 111.682
 1722    H    LEU   5           HN       LEU   5  56.505   9.427 107.421
 1723    HA   LEU   5           HA       LEU   5  54.400   7.428 108.006
 1724    HB2  LEU   5           HB2      LEU   5  56.048   6.676 106.372
 1725    HB3  LEU   5           HB1      LEU   5  57.355   7.114 107.440
 1726    HG   LEU   5           HG       LEU   5  56.610   4.595 107.190
 1727   HD11  LEU   5          HD11      LEU   5  57.269   5.825 109.866
 1728   HD12  LEU   5          HD12      LEU   5  58.402   5.261 108.643
 1729   HD13  LEU   5          HD13      LEU   5  57.371   4.111 109.485
 1730   HD21  LEU   5          HD21      LEU   5  54.203   5.183 107.920
 1731   HD22  LEU   5          HD22      LEU   5  54.867   5.241 109.544
 1732   HD23  LEU   5          HD23      LEU   5  54.962   3.763 108.613
 1733    H    ILE   6           HN       ILE   6  54.008   6.909 110.090
 1734    HA   ILE   6           HA       ILE   6  55.753   8.067 112.176
 1735    HB   ILE   6           HB       ILE   6  53.079   6.696 112.525
 1736   HG12  ILE   6          HG12      ILE   6  52.809   8.626 111.027
 1737   HG13  ILE   6          HG11      ILE   6  52.097   8.964 112.601
 1738   HG21  ILE   6          HG21      ILE   6  54.761   8.503 114.270
 1739   HG22  ILE   6          HG22      ILE   6  54.374   6.804 114.548
 1740   HG23  ILE   6          HG23      ILE   6  53.107   8.026 114.652
 1741   HD11  ILE   6          HD11      ILE   6  53.304  10.918 112.017
 1742   HD12  ILE   6          HD12      ILE   6  54.690   9.992 111.451
 1743   HD13  ILE   6          HD13      ILE   6  54.338  10.087 113.174
 1744    H    LEU   7           HN       LEU   7  56.985   6.833 113.395
 1745    HA   LEU   7           HA       LEU   7  57.026   3.953 112.860
 1746    HB2  LEU   7           HB2      LEU   7  58.906   5.867 114.236
 1747    HB3  LEU   7           HB1      LEU   7  59.079   4.130 114.439
 1748    HG   LEU   7           HG       LEU   7  58.904   4.265 111.702
 1749   HD11  LEU   7          HD11      LEU   7  60.099   6.152 110.862
 1750   HD12  LEU   7          HD12      LEU   7  60.494   6.712 112.486
 1751   HD13  LEU   7          HD13      LEU   7  58.832   6.800 111.902
 1752   HD21  LEU   7          HD21      LEU   7  60.655   3.134 113.033
 1753   HD22  LEU   7          HD22      LEU   7  61.416   4.694 113.339
 1754   HD23  LEU   7          HD23      LEU   7  61.346   4.053 111.698
 1755    H    ASN   8           HN       ASN   8  55.774   2.733 114.017
 1756    HA   ASN   8           HA       ASN   8  55.700   3.070 116.939
 1757    HB2  ASN   8           HB2      ASN   8  53.257   2.178 116.624
 1758    HB3  ASN   8           HB1      ASN   8  53.581   3.897 116.414
 1759   HD21  ASN   8          HD21      ASN   8  51.837   1.504 115.009
 1760   HD22  ASN   8          HD22      ASN   8  51.908   1.994 113.385
 1761    H    GLY   9           HN       GLY   9  57.296   1.422 116.945
 1762    HA2  GLY   9           HA2      GLY   9  56.311  -1.266 116.144
 1763    HA3  GLY   9           HA1      GLY   9  57.992  -0.778 115.994
 1764    H    LYS  10           HN       LYS  10  58.551  -2.592 117.301
 1765    HA   LYS  10           HA       LYS  10  57.570  -2.824 119.963
 1766    HB2  LYS  10           HB2      LYS  10  60.218  -3.969 119.074
 1767    HB3  LYS  10           HB1      LYS  10  59.054  -4.630 120.223
 1768    HG2  LYS  10           HG2      LYS  10  57.444  -4.674 118.122
 1769    HG3  LYS  10           HG1      LYS  10  58.954  -4.624 117.212
 1770    HD2  LYS  10           HD2      LYS  10  59.740  -6.611 118.527
 1771    HD3  LYS  10           HD1      LYS  10  58.140  -6.700 119.262
 1772    HE2  LYS  10           HE2      LYS  10  57.148  -6.898 116.977
 1773    HE3  LYS  10           HE1      LYS  10  58.779  -6.936 116.307
 1774    HZ1  LYS  10           HZ1      LYS  10  59.131  -9.019 117.042
 1775    HZ2  LYS  10           HZ2      LYS  10  57.435  -9.113 117.011
 1776    HZ3  LYS  10           HZ3      LYS  10  58.245  -8.798 118.472
 1777    H    THR  11           HN       THR  11  60.710  -1.522 118.676
 1778    HA   THR  11           HA       THR  11  60.825   0.185 121.090
 1779    HB   THR  11           HB       THR  11  63.333  -0.138 121.037
 1780    HG1  THR  11           HG1      THR  11  62.952  -2.575 119.800
 1781   HG21  THR  11          HG21      THR  11  61.760  -1.250 122.641
 1782   HG22  THR  11          HG22      THR  11  63.215  -2.185 122.313
 1783   HG23  THR  11          HG23      THR  11  61.693  -2.627 121.544
 1784    H    LEU  12           HN       LEU  12  60.922  -0.034 117.708
 1785    HA   LEU  12           HA       LEU  12  62.535   2.349 117.351
 1786    HB2  LEU  12           HB2      LEU  12  61.928   0.105 115.776
 1787    HB3  LEU  12           HB1      LEU  12  61.049   1.408 114.987
 1788    HG   LEU  12           HG       LEU  12  64.016   1.261 115.570
 1789   HD11  LEU  12          HD11      LEU  12  64.207   1.463 113.138
 1790   HD12  LEU  12          HD12      LEU  12  62.461   1.653 113.000
 1791   HD13  LEU  12          HD13      LEU  12  63.141   0.117 113.538
 1792   HD21  LEU  12          HD21      LEU  12  63.890   3.515 115.889
 1793   HD22  LEU  12          HD22      LEU  12  62.256   3.627 115.241
 1794   HD23  LEU  12          HD23      LEU  12  63.636   3.607 114.151
 1795    H    LYS  13           HN       LYS  13  61.625   4.281 117.804
 1796    HA   LYS  13           HA       LYS  13  58.966   4.845 116.667
 1797    HB2  LYS  13           HB2      LYS  13  59.769   5.294 119.550
 1798    HB3  LYS  13           HB1      LYS  13  58.447   6.169 118.791
 1799    HG2  LYS  13           HG2      LYS  13  57.140   4.425 119.496
 1800    HG3  LYS  13           HG1      LYS  13  57.799   3.564 118.113
 1801    HD2  LYS  13           HD2      LYS  13  59.767   3.008 119.855
 1802    HD3  LYS  13           HD1      LYS  13  58.481   3.296 121.027
 1803    HE2  LYS  13           HE2      LYS  13  58.335   0.981 120.567
 1804    HE3  LYS  13           HE1      LYS  13  57.068   1.691 119.565
 1805    HZ1  LYS  13           HZ1      LYS  13  58.182   1.239 117.680
 1806    HZ2  LYS  13           HZ2      LYS  13  58.943   0.052 118.626
 1807    HZ3  LYS  13           HZ3      LYS  13  59.701   1.547 118.360
 1808    H    GLY  14           HN       GLY  14  58.744   6.770 115.794
 1809    HA2  GLY  14           HA2      GLY  14  59.944   9.176 116.436
 1810    HA3  GLY  14           HA1      GLY  14  61.025   8.395 115.279
 1811    H    GLU  15           HN       GLU  15  60.521  10.068 113.674
 1812    HA   GLU  15           HA       GLU  15  57.900   9.649 112.344
 1813    HB2  GLU  15           HB2      GLU  15  59.465  12.234 112.341
 1814    HB3  GLU  15           HB1      GLU  15  57.872  11.941 111.645
 1815    HG2  GLU  15           HG2      GLU  15  58.470  11.590 114.574
 1816    HG3  GLU  15           HG1      GLU  15  57.892  13.103 113.886
 1817    H    THR  16           HN       THR  16  57.986   9.978 109.997
 1818    HA   THR  16           HA       THR  16  60.652  10.065 108.792
 1819    HB   THR  16           HB       THR  16  59.449   7.939 107.409
 1820    HG1  THR  16           HG1      THR  16  58.976   7.834 110.181
 1821   HG21  THR  16          HG21      THR  16  61.206   6.575 108.524
 1822   HG22  THR  16          HG22      THR  16  61.533   7.944 109.588
 1823   HG23  THR  16          HG23      THR  16  61.808   8.090 107.852
 1824    H    THR  17           HN       THR  17  60.632  10.735 106.643
 1825    HA   THR  17           HA       THR  17  58.019  11.168 105.398
 1826    HB   THR  17           HB       THR  17  59.861  13.534 105.516
 1827    HG1  THR  17           HG1      THR  17  57.823  13.083 107.407
 1828   HG21  THR  17          HG21      THR  17  56.846  13.422 105.551
 1829   HG22  THR  17          HG22      THR  17  57.753  13.320 104.044
 1830   HG23  THR  17          HG23      THR  17  57.884  14.750 105.052
 1831    H    THR  18           HN       THR  18  58.127  11.883 103.184
 1832    HA   THR  18           HA       THR  18  60.662  11.700 101.807
 1833    HB   THR  18           HB       THR  18  59.763   9.315 102.111
 1834    HG1  THR  18           HG1      THR  18  60.930   9.035 100.412
 1835   HG21  THR  18          HG21      THR  18  57.888   8.622 100.860
 1836   HG22  THR  18          HG22      THR  18  57.861  10.107  99.913
 1837   HG23  THR  18          HG23      THR  18  57.361  10.132 101.601
 1838    H    GLU  19           HN       GLU  19  60.504  12.481  99.665
 1839    HA   GLU  19           HA       GLU  19  58.118  14.156  99.164
 1840    HB2  GLU  19           HB2      GLU  19  60.155  15.438  99.280
 1841    HB3  GLU  19           HB1      GLU  19  61.002  14.299  98.236
 1842    HG2  GLU  19           HG2      GLU  19  60.261  16.425  97.092
 1843    HG3  GLU  19           HG1      GLU  19  59.679  14.947  96.330
 1844    H    ALA  20           HN       ALA  20  56.702  13.059  97.901
 1845    HA   ALA  20           HA       ALA  20  57.708  11.830  95.404
 1846    HB1  ALA  20           HB1      ALA  20  57.456   9.877  96.655
 1847    HB2  ALA  20           HB2      ALA  20  55.865  10.024  95.915
 1848    HB3  ALA  20           HB3      ALA  20  56.107  10.524  97.586
 1849    H    VAL  21           HN       VAL  21  56.071  11.452  93.813
 1850    HA   VAL  21           HA       VAL  21  54.083  13.579  93.691
 1851    HB   VAL  21           HB       VAL  21  55.190  13.359  91.634
 1852   HG11  VAL  21          HG11      VAL  21  55.607  11.040  90.646
 1853   HG12  VAL  21          HG12      VAL  21  55.137  10.388  92.212
 1854   HG13  VAL  21          HG13      VAL  21  56.543  11.441  92.083
 1855   HG21  VAL  21          HG21      VAL  21  52.615  12.973  91.506
 1856   HG22  VAL  21          HG22      VAL  21  53.028  11.294  91.156
 1857   HG23  VAL  21          HG23      VAL  21  53.579  12.581  90.084
 1858    H    ASP  22           HN       ASP  22  54.389  10.085  93.819
 1859    HA   ASP  22           HA       ASP  22  51.434   9.813  93.958
 1860    HB2  ASP  22           HB2      ASP  22  52.598   8.522  92.196
 1861    HB3  ASP  22           HB1      ASP  22  53.503   7.680  93.451
 1862    H    ALA  23           HN       ALA  23  50.493   8.406  95.435
 1863    HA   ALA  23           HA       ALA  23  51.633   8.520  98.069
 1864    HB1  ALA  23           HB1      ALA  23  49.535   7.180  98.640
 1865    HB2  ALA  23           HB2      ALA  23  49.096   7.351  96.940
 1866    HB3  ALA  23           HB3      ALA  23  49.284   8.783  97.951
 1867    H    ALA  24           HN       ALA  24  50.860   5.880  95.802
 1868    HA   ALA  24           HA       ALA  24  51.728   3.776  97.481
 1869    HB1  ALA  24           HB1      ALA  24  50.321   3.426  95.460
 1870    HB2  ALA  24           HB2      ALA  24  51.752   2.397  95.458
 1871    HB3  ALA  24           HB3      ALA  24  51.703   3.841  94.446
 1872    H    THR  25           HN       THR  25  53.600   5.731  94.996
 1873    HA   THR  25           HA       THR  25  55.988   4.237  95.140
 1874    HB   THR  25           HB       THR  25  55.284   6.176  93.494
 1875    HG1  THR  25           HG1      THR  25  57.503   4.953  94.115
 1876   HG21  THR  25          HG21      THR  25  57.157   7.834  95.163
 1877   HG22  THR  25          HG22      THR  25  55.446   7.818  95.588
 1878   HG23  THR  25          HG23      THR  25  55.949   8.360  93.987
 1879    H    ALA  26           HN       ALA  26  54.636   6.669  97.279
 1880    HA   ALA  26           HA       ALA  26  57.036   7.329  98.652
 1881    HB1  ALA  26           HB1      ALA  26  54.256   7.465  99.832
 1882    HB2  ALA  26           HB2      ALA  26  54.842   8.639  98.653
 1883    HB3  ALA  26           HB3      ALA  26  55.649   8.477 100.211
 1884    H    GLU  27           HN       GLU  27  54.620   4.875  99.036
 1885    HA   GLU  27           HA       GLU  27  55.468   3.905 101.574
 1886    HB2  GLU  27           HB2      GLU  27  53.587   2.637 101.431
 1887    HB3  GLU  27           HB1      GLU  27  53.259   3.523  99.947
 1888    HG2  GLU  27           HG2      GLU  27  54.531   1.774  98.684
 1889    HG3  GLU  27           HG1      GLU  27  54.693   0.870 100.176
 1890    H    LYS  28           HN       LYS  28  56.412   3.234  98.280
 1891    HA   LYS  28           HA       LYS  28  57.628   0.745  98.557
 1892    HB2  LYS  28           HB2      LYS  28  58.420   3.162  96.916
 1893    HB3  LYS  28           HB1      LYS  28  59.179   1.584  96.739
 1894    HG2  LYS  28           HG2      LYS  28  56.905   0.614  96.336
 1895    HG3  LYS  28           HG1      LYS  28  56.256   2.250  96.331
 1896    HD2  LYS  28           HD2      LYS  28  57.871   2.803  94.465
 1897    HD3  LYS  28           HD1      LYS  28  58.314   1.096  94.414
 1898    HE2  LYS  28           HE2      LYS  28  56.140   0.429  93.697
 1899    HE3  LYS  28           HE1      LYS  28  55.418   1.959  94.174
 1900    HZ1  LYS  28           HZ1      LYS  28  57.316   2.676  92.231
 1901    HZ2  LYS  28           HZ2      LYS  28  55.640   2.584  91.977
 1902    HZ3  LYS  28           HZ3      LYS  28  56.627   1.253  91.609
 1903    H    VAL  29           HN       VAL  29  58.919   3.982  99.223
 1904    HA   VAL  29           HA       VAL  29  61.493   3.046 100.031
 1905    HB   VAL  29           HB       VAL  29  60.155   5.633 100.838
 1906   HG11  VAL  29          HG11      VAL  29  63.047   4.794 100.469
 1907   HG12  VAL  29          HG12      VAL  29  62.248   5.127 102.005
 1908   HG13  VAL  29          HG13      VAL  29  62.514   6.432 100.848
 1909   HG21  VAL  29          HG21      VAL  29  61.579   4.841  98.284
 1910   HG22  VAL  29          HG22      VAL  29  61.351   6.521  98.772
 1911   HG23  VAL  29          HG23      VAL  29  59.950   5.499  98.448
 1912    H    PHE  30           HN       PHE  30  58.657   4.203 101.840
 1913    HA   PHE  30           HA       PHE  30  59.649   3.781 104.414
 1914    HB2  PHE  30           HB2      PHE  30  56.802   3.760 103.460
 1915    HB3  PHE  30           HB1      PHE  30  57.299   3.848 105.138
 1916    HD1  PHE  30           HD2      PHE  30  59.416   5.766 105.349
 1917    HD2  PHE  30           HD1      PHE  30  56.046   5.820 102.673
 1918    HE1  PHE  30           HE2      PHE  30  59.612   8.217 105.130
 1919    HE2  PHE  30           HE1      PHE  30  56.243   8.267 102.486
 1920    HZ   PHE  30           HZ       PHE  30  58.020   9.469 103.717
 1921    H    LYS  31           HN       LYS  31  57.677   1.552 102.395
 1922    HA   LYS  31           HA       LYS  31  57.496  -0.341 104.539
 1923    HB2  LYS  31           HB2      LYS  31  56.654  -0.213 101.707
 1924    HB3  LYS  31           HB1      LYS  31  56.893  -1.819 102.340
 1925    HG2  LYS  31           HG2      LYS  31  55.232  -1.559 103.991
 1926    HG3  LYS  31           HG1      LYS  31  55.297   0.185 103.912
 1927    HD2  LYS  31           HD2      LYS  31  53.851   0.318 102.159
 1928    HD3  LYS  31           HD1      LYS  31  54.556  -1.073 101.358
 1929    HE2  LYS  31           HE2      LYS  31  53.134  -2.037 103.657
 1930    HE3  LYS  31           HE1      LYS  31  52.084  -0.945 102.764
 1931    HZ1  LYS  31           HZ1      LYS  31  53.703  -2.903 101.295
 1932    HZ2  LYS  31           HZ2      LYS  31  52.222  -2.186 100.873
 1933    HZ3  LYS  31           HZ3      LYS  31  52.272  -3.405 102.054
 1934    H    GLN  32           HN       GLN  32  59.662   0.093 101.807
 1935    HA   GLN  32           HA       GLN  32  61.070  -2.376 102.232
 1936    HB2  GLN  32           HB2      GLN  32  60.986  -1.043 100.076
 1937    HB3  GLN  32           HB1      GLN  32  62.076   0.110 100.847
 1938    HG2  GLN  32           HG2      GLN  32  63.654  -1.791 101.306
 1939    HG3  GLN  32           HG1      GLN  32  62.604  -2.830 100.344
 1940   HE21  GLN  32          HE21      GLN  32  65.419  -0.981 100.101
 1941   HE22  GLN  32          HE22      GLN  32  65.365  -0.625  98.442
 1942    H    TYR  33           HN       TYR  33  61.275   0.929 103.310
 1943    HA   TYR  33           HA       TYR  33  63.842   0.850 104.509
 1944    HB2  TYR  33           HB2      TYR  33  62.922   2.952 103.948
 1945    HB3  TYR  33           HB1      TYR  33  61.406   2.567 104.749
 1946    HD1  TYR  33           HD1      TYR  33  64.943   3.430 105.265
 1947    HD2  TYR  33           HD2      TYR  33  61.117   2.814 107.120
 1948    HE1  TYR  33           HE1      TYR  33  65.786   4.476 107.347
 1949    HE2  TYR  33           HE2      TYR  33  61.963   3.858 109.206
 1950    HH   TYR  33           HH       TYR  33  64.334   5.774 109.465
 1951    H    ALA  34           HN       ALA  34  60.568   0.175 105.631
 1952    HA   ALA  34           HA       ALA  34  61.033   0.112 108.392
 1953    HB1  ALA  34           HB1      ALA  34  59.039  -1.201 106.572
 1954    HB2  ALA  34           HB2      ALA  34  58.771   0.010 107.824
 1955    HB3  ALA  34           HB3      ALA  34  59.091  -1.664 108.270
 1956    H    ASN  35           HN       ASN  35  61.597  -2.412 105.870
 1957    HA   ASN  35           HA       ASN  35  62.162  -4.515 107.657
 1958    HB2  ASN  35           HB2      ASN  35  61.842  -4.369 104.995
 1959    HB3  ASN  35           HB1      ASN  35  63.603  -4.339 105.037
 1960   HD21  ASN  35          HD21      ASN  35  64.460  -6.490 104.844
 1961   HD22  ASN  35          HD22      ASN  35  63.722  -7.872 105.496
 1962    H    ASP  36           HN       ASP  36  64.209  -2.065 106.075
 1963    HA   ASP  36           HA       ASP  36  66.680  -2.943 107.155
 1964    HB2  ASP  36           HB2      ASP  36  66.122  -0.077 106.424
 1965    HB3  ASP  36           HB1      ASP  36  67.590  -1.023 106.173
 1966    H    ASN  37           HN       ASN  37  64.056  -1.097 108.470
 1967    HA   ASN  37           HA       ASN  37  65.692   0.092 110.570
 1968    HB2  ASN  37           HB2      ASN  37  63.111   0.541 109.314
 1969    HB3  ASN  37           HB1      ASN  37  62.955   0.567 111.058
 1970   HD21  ASN  37          HD21      ASN  37  62.847   2.808 111.488
 1971   HD22  ASN  37          HD22      ASN  37  64.034   3.918 111.000
 1972    H    GLY  38           HN       GLY  38  63.531  -2.677 110.199
 1973    HA2  GLY  38           HA2      GLY  38  63.759  -4.531 111.706
 1974    HA3  GLY  38           HA1      GLY  38  64.107  -3.407 113.008
 1975    H    VAL  39           HN       VAL  39  61.644  -1.784 111.789
 1976    HA   VAL  39           HA       VAL  39  59.656  -3.280 113.400
 1977    HB   VAL  39           HB       VAL  39  59.868  -1.107 114.278
 1978   HG11  VAL  39          HG11      VAL  39  59.932   0.920 112.947
 1979   HG12  VAL  39          HG12      VAL  39  59.683  -0.004 111.468
 1980   HG13  VAL  39          HG13      VAL  39  61.176  -0.183 112.378
 1981   HG21  VAL  39          HG21      VAL  39  57.748  -0.014 113.835
 1982   HG22  VAL  39          HG22      VAL  39  57.492  -1.754 113.785
 1983   HG23  VAL  39          HG23      VAL  39  57.595  -0.836 112.289
 1984    H    ASP  40           HN       ASP  40  58.492  -4.617 112.212
 1985    HA   ASP  40           HA       ASP  40  57.237  -3.615 109.711
 1986    HB2  ASP  40           HB2      ASP  40  59.117  -5.399 109.471
 1987    HB3  ASP  40           HB1      ASP  40  57.941  -6.518 110.154
 1988    H    GLY  41           HN       GLY  41  55.056  -3.327 110.247
 1989    HA2  GLY  41           HA2      GLY  41  53.709  -5.609 111.565
 1990    HA3  GLY  41           HA1      GLY  41  53.551  -4.014 112.280
 1991    H    GLU  42           HN       GLU  42  51.214  -4.039 111.947
 1992    HA   GLU  42           HA       GLU  42  50.175  -4.397 109.329
 1993    HB2  GLU  42           HB2      GLU  42  48.634  -2.987 111.484
 1994    HB3  GLU  42           HB1      GLU  42  48.077  -4.150 110.286
 1995    HG2  GLU  42           HG2      GLU  42  49.753  -4.733 112.741
 1996    HG3  GLU  42           HG1      GLU  42  48.093  -5.244 112.442
 1997    H    TRP  43           HN       TRP  43  49.714  -2.913 107.853
 1998    HA   TRP  43           HA       TRP  43  50.729  -0.191 108.299
 1999    HB2  TRP  43           HB2      TRP  43  50.305  -1.872 105.831
 2000    HB3  TRP  43           HB1      TRP  43  50.730  -0.159 105.774
 2001    HD1  TRP  43           HD1      TRP  43  52.172  -3.559 106.928
 2002    HE1  TRP  43           HE1      TRP  43  54.708  -3.275 107.261
 2003    HE3  TRP  43           HE3      TRP  43  52.574   1.430 106.125
 2004    HZ2  TRP  43           HZ2      TRP  43  56.669  -1.185 107.149
 2005    HZ3  TRP  43           HZ3      TRP  43  54.765   2.542 106.220
 2006    HH2  TRP  43           HH2      TRP  43  56.816   1.253 106.728
 2007    H    THR  44           HN       THR  44  49.760   1.501 107.268
 2008    HA   THR  44           HA       THR  44  47.008   1.392 106.398
 2009    HB   THR  44           HB       THR  44  46.637   1.459 108.803
 2010    HG1  THR  44           HG1      THR  44  45.199   2.816 108.072
 2011   HG21  THR  44          HG21      THR  44  48.822   3.536 108.708
 2012   HG22  THR  44          HG22      THR  44  48.629   2.165 109.798
 2013   HG23  THR  44          HG23      THR  44  47.606   3.587 109.981
 2014    H    TYR  45           HN       TYR  45  46.356   3.641 105.615
 2015    HA   TYR  45           HA       TYR  45  48.497   5.586 105.458
 2016    HB2  TYR  45           HB2      TYR  45  49.248   4.318 103.621
 2017    HB3  TYR  45           HB1      TYR  45  47.611   4.001 103.061
 2018    HD1  TYR  45           HD1      TYR  45  49.477   7.136 104.029
 2019    HD2  TYR  45           HD2      TYR  45  47.182   5.075 101.038
 2020    HE1  TYR  45           HE1      TYR  45  49.579   9.129 102.566
 2021    HE2  TYR  45           HE2      TYR  45  47.286   7.070  99.580
 2022    HH   TYR  45           HH       TYR  45  47.968   9.155  99.381
 2023    H    ASP  46           HN       ASP  46  47.563   7.453 105.785
 2024    HA   ASP  46           HA       ASP  46  44.772   7.820 104.924
 2025    HB2  ASP  46           HB2      ASP  46  45.232   8.451 107.259
 2026    HB3  ASP  46           HB1      ASP  46  46.516   9.548 106.719
 2027    H    ASP  47           HN       ASP  47  44.601   8.605 102.829
 2028    HA   ASP  47           HA       ASP  47  46.792  10.102 101.645
 2029    HB2  ASP  47           HB2      ASP  47  45.299   8.339 100.476
 2030    HB3  ASP  47           HB1      ASP  47  44.102   9.627 100.369
 2031    H    ALA  48           HN       ALA  48  44.101  10.805 103.499
 2032    HA   ALA  48           HA       ALA  48  43.433  13.351 102.310
 2033    HB1  ALA  48           HB1      ALA  48  41.812  13.519 103.997
 2034    HB2  ALA  48           HB2      ALA  48  42.736  12.516 105.116
 2035    HB3  ALA  48           HB3      ALA  48  41.929  11.781 103.730
 2036    H    THR  49           HN       THR  49  45.781  12.172 104.633
 2037    HA   THR  49           HA       THR  49  46.633  14.949 105.213
 2038    HB   THR  49           HB       THR  49  47.495  13.835 107.450
 2039    HG1  THR  49           HG1      THR  49  45.211  12.280 107.251
 2040   HG21  THR  49          HG21      THR  49  44.576  14.450 106.954
 2041   HG22  THR  49          HG22      THR  49  45.829  15.603 107.412
 2042   HG23  THR  49          HG23      THR  49  45.328  14.348 108.546
 2043    H    LYS  50           HN       LYS  50  47.401  12.433 103.391
 2044    HA   LYS  50           HA       LYS  50  49.352  11.420 102.697
 2045    HB2  LYS  50           HB2      LYS  50  50.723  13.975 103.530
 2046    HB3  LYS  50           HB1      LYS  50  51.073  12.948 102.144
 2047    HG2  LYS  50           HG2      LYS  50  48.485  14.508 102.449
 2048    HG3  LYS  50           HG1      LYS  50  49.891  15.109 101.579
 2049    HD2  LYS  50           HD2      LYS  50  49.811  13.175 100.071
 2050    HD3  LYS  50           HD1      LYS  50  48.414  12.541 100.935
 2051    HE2  LYS  50           HE2      LYS  50  47.087  14.478 100.317
 2052    HE3  LYS  50           HE1      LYS  50  48.488  15.238  99.563
 2053    HZ1  LYS  50           HZ1      LYS  50  47.215  14.215  97.860
 2054    HZ2  LYS  50           HZ2      LYS  50  47.115  12.750  98.714
 2055    HZ3  LYS  50           HZ3      LYS  50  48.602  13.265  98.075
 2056    H    THR  51           HN       THR  51  48.791  10.435 105.161
 2057    HA   THR  51           HA       THR  51  51.454  10.386 106.484
 2058    HB   THR  51           HB       THR  51  48.777  10.655 107.889
 2059    HG1  THR  51           HG1      THR  51  50.373  12.413 108.775
 2060   HG21  THR  51          HG21      THR  51  51.536   9.946 108.902
 2061   HG22  THR  51          HG22      THR  51  50.004   9.141 109.244
 2062   HG23  THR  51          HG23      THR  51  50.348  10.720 109.951
 2063    H    PHE  52           HN       PHE  52  52.275   8.353 106.790
 2064    HA   PHE  52           HA       PHE  52  50.469   6.018 106.608
 2065    HB2  PHE  52           HB2      PHE  52  53.427   6.398 106.140
 2066    HB3  PHE  52           HB1      PHE  52  52.650   4.816 106.181
 2067    HD1  PHE  52           HD1      PHE  52  52.398   8.174 104.522
 2068    HD2  PHE  52           HD2      PHE  52  51.747   3.937 104.217
 2069    HE1  PHE  52           HE1      PHE  52  51.818   8.419 102.123
 2070    HE2  PHE  52           HE2      PHE  52  51.159   4.196 101.826
 2071    HZ   PHE  52           HZ       PHE  52  51.200   6.439 100.777
 2072    H    THR  53           HN       THR  53  50.931   4.213 108.141
 2073    HA   THR  53           HA       THR  53  52.745   4.785 110.342
 2074    HB   THR  53           HB       THR  53  51.199   4.667 112.148
 2075    HG1  THR  53           HG1      THR  53  49.824   3.171 110.864
 2076   HG21  THR  53          HG21      THR  53  49.790   6.630 111.850
 2077   HG22  THR  53          HG22      THR  53  49.925   6.500 110.097
 2078   HG23  THR  53          HG23      THR  53  51.335   6.902 111.062
 2079    H    VAL  54           HN       VAL  54  53.733   2.835 110.999
 2080    HA   VAL  54           HA       VAL  54  52.333   0.316 110.237
 2081    HB   VAL  54           HB       VAL  54  54.442   0.692 109.008
 2082   HG11  VAL  54          HG11      VAL  54  55.465   2.044 110.910
 2083   HG12  VAL  54          HG12      VAL  54  56.544   0.890 110.128
 2084   HG13  VAL  54          HG13      VAL  54  55.825   0.507 111.689
 2085   HG21  VAL  54          HG21      VAL  54  55.412  -1.490 109.445
 2086   HG22  VAL  54          HG22      VAL  54  53.673  -1.623 109.702
 2087   HG23  VAL  54          HG23      VAL  54  54.761  -1.507 111.084
 2088    H    THR  55           HN       THR  55  51.671  -0.954 111.886
 2089    HA   THR  55           HA       THR  55  52.951  -0.648 114.548
 2090    HB   THR  55           HB       THR  55  50.559   0.345 114.169
 2091    HG1  THR  55           HG1      THR  55  51.121  -1.445 116.291
 2092   HG21  THR  55          HG21      THR  55  48.722  -1.155 114.378
 2093   HG22  THR  55          HG22      THR  55  49.777  -2.514 114.768
 2094   HG23  THR  55          HG23      THR  55  49.754  -1.855 113.134
 2095    H    GLU  56           HN       GLU  56  53.905  -2.487 115.284
 2096    HA   GLU  56           HA       GLU  56  52.917  -5.093 114.263
 2097    HB2  GLU  56           HB2      GLU  56  55.281  -5.781 115.284
 2098    HB3  GLU  56           HB1      GLU  56  55.160  -5.072 113.674
 2099    HG2  GLU  56           HG2      GLU  56  55.627  -2.851 114.585
 2100    HG3  GLU  56           HG1      GLU  56  55.695  -3.516 116.216