*HEADER    IMMUNE SYSTEM                           27-OCT-09   2KQ4              
*TITLE     ATOMIC RESOLUTION PROTEIN STRUCTURE DETERMINATION BY THREE-           
*TITLE    2 DIMENSIONAL TRANSFERRED ECHO DOUBLE RESONANCE SOLID-STATE            
*TITLE    3 NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN G;                        
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 303 TO 357;                                   
*COMPND   5 SYNONYM: IGG-BINDING PROTEIN G;                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 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, TEDOR, SOLID-STATE, CELL WALL, IGG-BINDING PROTEIN,              
*KEYWDS   2 PEPTIDOGLYCAN-ANCHOR, SECRETED, THERMOSTABLE                         
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    10                                                                    
*AUTHOR    A.J.NIEUWKOOP, B.J.WYLIE, W.FRANKS, G.J.SHAH, C.M.RIENSTRA            
*REVDAT   1   17-NOV-09 2KQ4    0                                                


!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  (resid   21 and name    N)   (resid   20 and name   CA)  2.10 0.13 0.13 !V21N-A20CA
assign  (resid   24 and name    N)   (resid   24 and name   CA)  1.51 0.10 0.10 !A24N-CA
assign  (resid   25 and name    N)   (resid   24 and name   CA)  2.90 0.20 0.20 !T25N-A24CA
assign  (resid   34 and name    N)   (resid   34 and name   CA)  1.51 0.10 0.10 !A34N-CA
assign  (resid   35 and name    N)   (resid   34 and name   CA)  2.81 0.10 0.10 !N35N-A34CA
assign  (resid   48 and name    N)   (resid   48 and name   CA)  1.50 0.10 0.10 !A48N-CA
assign  (resid   49 and name    N)   (resid   48 and name   CA)  2.81 0.18 0.18 !T49N-A48CA
assign  (resid   23 and name    N)   (resid   22 and name   CA)  2.60 0.18 0.18 !A23N-D22CA
assign  (resid   22 and name    N)   (resid   22 and name   CA)  1.46 0.10 0.10 !D22N-CA
assign  (resid   36 and name    N)   (resid   36 and name   CA)  1.45 0.10 0.10 !D36N-CA
!violates calc4 
!assign  (resid   37 and name    N)   (resid   36 and name   CA)  2.94 0.18 0.18 !N37N-D36CA
assign  (resid   37 and name    N)   (resid   36 and name   CA)  2.94 1.18 1.18 !N37N-D36CA
assign  (resid   40 and name    N)   (resid   40 and name   CA)  1.50 0.10 0.10 !D40N-CA
assign  (resid   41 and name    N)   (resid   40 and name   CA)  2.62 0.10 0.10 !G41N-D40CA
assign  (resid   46 and name    N)   (resid   46 and name   CA)  1.44 0.10 0.10 !D46N-CA
assign  (resid   47 and name    N)   (resid   46 and name   CA)  2.76 0.19 0.19 !D47N-D46CA
!violates calc4
!assign  (resid   48 and name    N)   (resid   47 and name   CA)  3.48 0.65 0.65 !A48N-D47CA
assign  (resid   48 and name    N)   (resid   47 and name   CA)  3.48 1.65 1.65 !A48N-D47CA
assign  (resid   47 and name    N)   (resid   47 and name   CA)  1.51 0.10 0.10 !D47N-CA
assign  (resid   15 and name    N)   (resid   15 and name   CA)  1.46 0.10 0.10 !E15N-CA
assign  (resid   16 and name    N)   (resid   15 and name   CA)  2.62 0.15 0.15 !T16N-E15CA
assign  (resid   19 and name    N)   (resid   19 and name   CA)  1.47 0.10 0.10 !E19N-CA
assign  (resid   27 and name    N)   (resid   27 and name   CA)  1.48 0.10 0.10 !E27N-CA
assign  (resid   28 and name    N)   (resid   27 and name   CA)  2.53 0.13 0.13 !K28N-E27CA
assign  (resid   42 and name    N)   (resid   42 and name   CA)  1.42 0.10 0.10 !E42N-CA
assign  (resid   43 and name    N)   (resid   42 and name   CA)  2.61 0.20 0.20 !W43N-E42CA
assign  (resid   56 and name    N)   (resid   56 and name   CA)  1.44 0.10 0.10 !E56N-CA
assign  (resid   15 and name    N)   (resid   14 and name   CA)  2.81 0.22 0.22 !E15N-G14CA
assign  (resid   14 and name    N)   (resid   14 and name   CA)  1.44 0.10 0.10 !G14N-CA
assign  (resid   38 and name    N)   (resid   38 and name   CA)  1.49 0.10 0.10 !G38N-CA
assign  (resid   39 and name    N)   (resid   38 and name   CA)  2.53 0.12 0.12 !V39N-G38CA
assign  (resid   42 and name    N)   (resid   41 and name   CA)  2.68 0.14 0.14 !E42N-G41CA
assign  (resid   41 and name    N)   (resid   41 and name   CA)  1.46 0.10 0.10 !G41N-CA
assign  (resid    9 and name    N)   (resid    9 and name   CA)  1.42 0.10 0.10 !G9N-CA
assign  (resid   10 and name    N)   (resid    9 and name   CA)  2.48 0.10 0.10 !K10N-G9CA
assign  (resid    6 and name    N)   (resid    6 and name   CA)  1.44 0.10 0.10 !I6N-CA
assign  (resid    7 and name    N)   (resid    6 and name   CA)  2.21 0.10 0.10 !L7N-I6CA
assign  (resid   11 and name    N)   (resid   10 and name   CA)  2.47 0.10 0.10 !T11N-K10CA
assign  (resid   14 and name    N)   (resid   13 and name   CA)  2.51 0.10 0.10 !G14N-K13CA
assign  (resid   13 and name    N)   (resid   13 and name   CA)  1.46 0.10 0.10 !K13N-CA
assign  (resid   28 and name    N)   (resid   28 and name   CA)  1.47 0.10 0.10 !K28N-CA
assign  (resid   29 and name    N)   (resid   28 and name   CA)  2.29 0.10 0.10 !V29N-K28CA
assign  (resid   31 and name    N)   (resid   31 and name   CA)  1.47 0.10 0.10 !K31N-CA
assign  (resid    4 and name    N)   (resid    4 and name   CA)  1.43 0.10 0.10 !K4N-CA
assign  (resid   50 and name    N)   (resid   50 and name   CA)  1.42 0.10 0.10 !K50N-CA
assign  (resid   12 and name    N)   (resid   12 and name   CA)  1.43 0.10 0.10 !L12N-CA
assign  (resid   11 and name    N)   (resid   12 and name   CA)  5.07 1.94 1.94 !T11N-L12CA
assign  (resid    5 and name    N)   (resid    5 and name   CA)  1.42 0.10 0.10 !L5N-CA
assign  (resid   14 and name    N)   (resid    7 and name   CA)  5.10 4.10 6.34 !G14N-L7CA
assign  (resid    9 and name    N)   (resid    7 and name   CA)  5.32 4.32 6.66 !G9N-L7CA
assign  (resid    7 and name    N)   (resid    7 and name   CA)  1.45 0.12 0.12 !L7N-CA
assign  (resid    8 and name    N)   (resid    7 and name   CA)  2.56 0.10 0.10 !N8N-L7CA
!violates calc4
!assign  (resid   54 and name    N)   (resid    7 and name   CA)  3.85 0.86 0.86 !V54N-L7CA
assign  (resid   54 and name    N)   (resid    7 and name   CA)  3.85 1.86 1.86 !V54N-L7CA
assign  (resid    1 and name    N)   (resid    1 and name   CA)  1.48 0.10 0.10 !M1N-CA
assign  (resid   34 and name    N)   (resid   35 and name   CA)  3.57 0.58 0.58 !A34N-N35CA
assign  (resid   36 and name    N)   (resid   35 and name   CA)  2.59 0.15 0.15 !D36N-N35CA
assign  (resid   35 and name    N)   (resid   35 and name   CA)  1.47 0.10 0.10 !N35N-CA
assign  (resid   38 and name    N)   (resid   37 and name   CA)  2.74 0.18 0.18 !G38N-N37CA
assign  (resid   37 and name    N)   (resid   37 and name   CA)  1.48 0.10 0.10 !N37N-CA
assign  (resid    9 and name    N)   (resid    8 and name   CA)  2.55 0.13 0.13 !G9N-N8CA
assign  (resid    8 and name    N)   (resid    8 and name   CA)  1.50 0.10 0.10 !N8N-CA
assign  (resid    2 and name    N)   (resid    2 and name   CA)  1.44 0.10 0.10 !Q2N-CA
assign  (resid    3 and name    N)   (resid    2 and name   CA)  2.55 0.11 0.11 !Y3N-Q2CA
assign  (resid   32 and name    N)   (resid   32 and name   CA)  1.42 0.10 0.10 !Q32N-CA
assign  (resid   12 and name    N)   (resid   11 and name   CA)  2.58 0.13 0.13 !L12N-T11CA
assign  (resid   11 and name    N)   (resid   11 and name   CA)  1.45 0.10 0.10 !T11N-CA
assign  (resid   19 and name    N)   (resid   18 and name   CA)  2.64 0.15 0.15 !E19N-T18CA
assign  (resid   18 and name    N)   (resid   18 and name   CA)  1.43 0.10 0.10 !T18N-CA
assign  (resid   26 and name    N)   (resid   25 and name   CA)  2.73 0.21 0.21 !A26N-T25CA
assign  (resid   25 and name    N)   (resid   25 and name   CA)  1.44 0.10 0.10 !T25N-CA
assign  (resid   44 and name    N)   (resid   44 and name   CA)  1.45 0.10 0.10 !T44N-CA
assign  (resid   45 and name    N)   (resid   44 and name   CA)  2.58 1.58 5.09 !Y45N-T44CA
assign  (resid   52 and name    N)   (resid   51 and name   CA)  2.71 0.16 0.16 !F52N-T51CA
assign  (resid   51 and name    N)   (resid   51 and name   CA)  1.45 0.10 0.10 !T51N-CA
assign  (resid   53 and name    N)   (resid   53 and name   CA)  1.49 0.10 0.10 !T53N-CA
assign  (resid   56 and name    N)   (resid   55 and name   CA)  2.66 0.16 0.16 !E56N-T55CA
assign  (resid   55 and name    N)   (resid   55 and name   CA)  1.43 0.10 0.10 !T55N-CA
assign  (resid   29 and name    N)   (resid   29 and name   CA)  1.49 0.10 0.10 !V29N-CA
assign  (resid   40 and name    N)   (resid   39 and name   CA)  2.35 0.11 0.11 !D40N-V39CA
assign  (resid   39 and name    N)   (resid   39 and name   CA)  1.43 0.10 0.10 !V39N-CA
assign  (resid   55 and name    N)   (resid   54 and name   CA)  2.66 0.15 0.15 !T55N-V54CA
assign  (resid   54 and name    N)   (resid   54 and name   CA)  1.45 0.10 0.10 !V54N-CA
assign  (resid   20 and name    N)   (resid   20 and name   CB)  2.46 0.10 0.10 !A20N-CB
assign  (resid   26 and name    N)   (resid   20 and name   CB)  4.43 0.10 0.10 !A26N-A20CB
assign  (resid    1 and name    N)   (resid   20 and name   CB)  6.16 3.33 3.33 !M1N-A20CB
assign  (resid   21 and name    N)   (resid   20 and name   CB)  3.27 0.10 0.10 !V21N-A20CB
assign  (resid   23 and name    N)   (resid   23 and name   CB)  2.49 0.15 0.15 !A23N-CB
assign  (resid   50 and name   NZ)   (resid   23 and name   CB)  6.58 2.81 2.81 !K50NZ-A23CB
assign  (resid   24 and name    N)   (resid   24 and name   CB)  2.75 0.23 0.23 !A24N-CB
assign  (resid   28 and name   NZ)   (resid   24 and name   CB)  6.94 5.94 7.30 !K28NZ-A24CB
!violates calc4
!assign  (resid   25 and name    N)   (resid   24 and name   CB)  3.82 0.10 0.10 !T25N-A24CB
assign  (resid   25 and name    N)   (resid   24 and name   CB)  3.82 1.10 1.10 !T25N-A24CB
assign  (resid   23 and name    N)   (resid   26 and name   CB)  6.01 2.10 2.10 !A23N-A26CB
assign  (resid   26 and name    N)   (resid   26 and name   CB)  2.46 0.10 0.10 !A26N-CB
assign  (resid   27 and name    N)   (resid   26 and name   CB)  3.34 0.10 0.10 !E27N-A26CB
assign  (resid   28 and name    N)   (resid   26 and name   CB)  5.74 4.74 6.86 !K28N-A26CB
assign  (resid   34 and name    N)   (resid   34 and name   CB)  2.44 0.10 0.10 !A34N-CB
assign  (resid   41 and name    N)   (resid   34 and name   CB)  5.30 1.79 1.79 !G41N-A34CB
assign  (resid   35 and name    N)   (resid   34 and name   CB)  3.29 0.10 0.10 !N35N-A34CB
assign  (resid   39 and name    N)   (resid   34 and name   CB)  4.46 0.86 0.86 !V39N-A34CB
assign  (resid   43 and name  NE1)   (resid   34 and name   CB)  5.90 3.20 3.20 !W43NE1-A34CB
assign  (resid   48 and name    N)   (resid   48 and name   CB)  2.50 0.10 0.10 !A48N-CB
assign  (resid   47 and name    N)   (resid   48 and name   CB)  5.36 1.05 1.05 !D47N-A48CB
assign  (resid   50 and name   NZ)   (resid   48 and name   CB)  6.83 0.86 0.86 !K50NZ-A48CB
assign  (resid   49 and name    N)   (resid   48 and name   CB)  3.39 0.20 0.20 !T49N-A48CB
assign  (resid   23 and name    N)   (resid   22 and name   CB)  2.93 0.10 0.10 !A23N-D22CB
assign  (resid   22 and name    N)   (resid   22 and name   CB)  2.52 0.10 0.10 !D22N-CB
assign  (resid   36 and name    N)   (resid   36 and name   CB)  2.41 0.10 0.10 !D36N-CB
assign  (resid   37 and name    N)   (resid   36 and name   CB)  3.38 0.30 0.30 !N37N-D36CB
assign  (resid   37 and name  ND2)   (resid   36 and name   CB)  5.05 1.82 1.82 !N37ND2-D36CB
assign  (resid   40 and name    N)   (resid   40 and name   CB)  2.51 0.10 0.10 !D40N-CB
assign  (resid   41 and name    N)   (resid   40 and name   CB)  3.60 0.17 0.17 !G41N-D40CB
assign  (resid   46 and name    N)   (resid   46 and name   CB)  2.46 0.10 0.10 !D46N-CB
assign  (resid   48 and name    N)   (resid   47 and name   CB)  3.70 0.50 0.50 !A48N-D47CB
assign  (resid   47 and name    N)   (resid   47 and name   CB)  2.46 0.38 0.38 !D47N-CB
assign  (resid   15 and name    N)   (resid   15 and name   CB)  2.95 0.59 0.59 !E15N-CB
assign  (resid   16 and name    N)   (resid   15 and name   CB)  2.81 0.29 0.29 !T16N-E15CB
assign  (resid   27 and name    N)   (resid   27 and name   CB)  2.42 0.15 0.15 !E27N-CB
assign  (resid   28 and name    N)   (resid   27 and name   CB)  2.99 0.26 0.26 !K28N-E27CB
!violates calc4
!assign  (resid   56 and name    N)   (resid   56 and name   CB)  2.96 0.10 0.10 !E56N-CB
assign  (resid   56 and name    N)   (resid   56 and name   CB)  2.96 1.10 1.10 !E56N-CB
assign  (resid   41 and name    N)   (resid   56 and name   CB)  4.24 0.20 0.20 !G41N-E56CB
!violates calc4
!assign  (resid    9 and name    N)   (resid   56 and name   CB)  4.72 0.75 0.75 !G9N-E56CB
assign  (resid    9 and name    N)   (resid   56 and name   CB)  4.72 1.75 1.75 !G9N-E56CB
assign  (resid   30 and name    N)   (resid   30 and name   CB)  2.47 0.10 0.10 !F30N-CB
assign  (resid   31 and name    N)   (resid   30 and name   CB)  3.06 0.10 0.10 !K31N-F30CB
assign  (resid   52 and name    N)   (resid   52 and name   CB)  2.32 0.10 0.10 !F52N-CB
assign  (resid    6 and name    N)   (resid    6 and name   CB)  2.61 0.10 0.10 !I6N-CB
assign  (resid    9 and name    N)   (resid   10 and name   CB)  6.40 5.40 7.12 !G9N-K10CB
assign  (resid   10 and name    N)   (resid   10 and name   CB)  2.44 0.10 0.10 !K10N-CB
assign  (resid   11 and name    N)   (resid   10 and name   CB)  3.31 0.10 0.10 !T11N-K10CB
assign  (resid   14 and name    N)   (resid   13 and name   CB)  3.37 0.10 0.10 !G14N-K13CB
assign  (resid   13 and name    N)   (resid   13 and name   CB)  2.45 0.20 0.20 !K13N-CB
assign  (resid   28 and name    N)   (resid   28 and name   CB)  2.43 0.10 0.10 !K28N-CB
assign  (resid   29 and name    N)   (resid   28 and name   CB)  3.17 0.12 0.12 !V29N-K28CB
assign  (resid   31 and name    N)   (resid   31 and name   CB)  2.62 0.10 0.10 !K31N-CB
assign  (resid   32 and name    N)   (resid   31 and name   CB)  3.12 0.10 0.10 !Q32N-K31CB
assign  (resid    4 and name    N)   (resid    4 and name   CB)  2.43 0.21 0.21 !K4N-CB
assign  (resid    5 and name    N)   (resid    4 and name   CB)  3.50 0.44 0.44 !L5N-K4CB
assign  (resid   50 and name    N)   (resid   50 and name   CB)  2.51 0.23 0.23 !K50N-CB
assign  (resid   50 and name   NZ)   (resid   50 and name   CB)  4.50 0.80 0.80 !K50NZ-CB
assign  (resid   49 and name    N)   (resid   50 and name   CB)  5.28 1.57 1.57 !T49N-K50CB
assign  (resid   51 and name    N)   (resid   50 and name   CB)  4.24 0.68 0.68 !T51N-K50CB
!intermolecular
!assign  (resid   31 and name   NZ)   (resid    1 and name   CB)  4.94 3.94 6.46 !K31NZ-M1CB
assign  (resid    1 and name    N)   (resid    1 and name   CB)  2.44 0.10 0.10 !M1N-CB
assign  (resid    2 and name    N)   (resid    1 and name   CB)  3.32 0.10 0.10 !Q2N-M1CB
assign  (resid   36 and name    N)   (resid   35 and name   CB)  3.02 0.10 0.10 !D36N-N35CB
assign  (resid   35 and name    N)   (resid   35 and name   CB)  2.47 0.16 0.16 !N35N-CB
!violates calc1
!assign  (resid   35 and name  ND2)   (resid   35 and name   CB)  3.54 0.27 0.27 !N35ND2-CB
assign  (resid   35 and name  ND2)   (resid   35 and name   CB)  3.54 1.27 1.27 !N35ND2-CB
assign  (resid   38 and name    N)   (resid   37 and name   CB)  3.70 2.70 5.81 !G38N-N37CB
assign  (resid   37 and name    N)   (resid   37 and name   CB)  2.39 0.25 0.25 !N37N-CB
assign  (resid   37 and name  ND2)   (resid   37 and name   CB)  2.63 1.63 2.70 !N37ND2-CB
assign  (resid    8 and name    N)   (resid    8 and name   CB)  2.21 0.10 0.10 !N8N-CB
assign  (resid    8 and name  ND2)   (resid    8 and name   CB)  2.71 0.47 0.47 !N8ND2-CB
!violates calc1
!assign  (resid   32 and name  NE2)   (resid   32 and name   CB)  2.43 0.10 0.10 !Q32NE2-CB
assign  (resid   32 and name  NE2)   (resid   32 and name   CB)  2.43 1.10 1.10 !Q32NE2-CB
assign  (resid   12 and name    N)   (resid   11 and name   CB)  3.58 2.58 5.51 !L12N-T11CB
assign  (resid   11 and name    N)   (resid   11 and name   CB)  2.54 0.10 0.10 !T11N-CB
assign  (resid   17 and name    N)   (resid   17 and name   CB)  2.52 0.17 0.17 !T17N-CB
assign  (resid   19 and name    N)   (resid   18 and name   CB)  3.30 0.10 0.10 !E19N-T18CB
assign  (resid   18 and name    N)   (resid   18 and name   CB)  2.47 1.47 4.87 !T18N-CB
assign  (resid   26 and name    N)   (resid   25 and name   CB)  3.15 0.37 0.37 !A26N-T25CB
assign  (resid   25 and name    N)   (resid   25 and name   CB)  2.50 0.20 0.20 !T25N-CB
assign  (resid   44 and name    N)   (resid   44 and name   CB)  2.47 0.38 0.38 !T44N-CB
assign  (resid   45 and name    N)   (resid   44 and name   CB)  3.22 0.10 0.10 !Y45N-T44CB
assign  (resid   50 and name    N)   (resid   49 and name   CB)  3.81 0.35 0.35 !K50N-T49CB
assign  (resid   49 and name    N)   (resid   49 and name   CB)  2.50 0.28 0.28 !T49N-CB
assign  (resid   51 and name    N)   (resid   49 and name   CB)  5.23 1.16 1.16 !T51N-T49CB
assign  (resid   46 and name    N)   (resid   51 and name   CB)  4.89 1.00 1.00 !D46N-T51CB
assign  (resid   52 and name    N)   (resid   51 and name   CB)  3.68 0.10 0.10 !F52N-T51CB
assign  (resid   50 and name    N)   (resid   51 and name   CB)  5.16 1.74 1.74 !K50N-T51CB
assign  (resid   51 and name    N)   (resid   51 and name   CB)  2.50 0.11 0.11 !T51N-CB
assign  (resid   56 and name    N)   (resid   55 and name   CB)  3.67 0.10 0.10 !E56N-T55CB
assign  (resid    8 and name    N)   (resid   55 and name   CB)  5.28 4.28 6.62 !N8N-T55CB
assign  (resid    8 and name  ND2)   (resid   55 and name   CB)  5.28 2.29 2.29 !N8ND2-T55CB
assign  (resid   55 and name    N)   (resid   55 and name   CB)  2.50 0.10 0.10 !T55N-CB
assign  (resid   44 and name    N)   (resid   43 and name   CB)  2.81 0.10 0.10 !T44N-W43CB
assign  (resid   34 and name    N)   (resid   33 and name   CB)  3.44 0.64 0.64 !A34N-Y33CB
assign  (resid   30 and name    N)   (resid   33 and name   CB)  3.82 0.28 0.28 !F30N-Y33CB
assign  (resid   33 and name    N)   (resid   33 and name   CB)  2.47 0.34 0.34 !Y33N-CB
assign  (resid   45 and name    N)   (resid   45 and name   CB)  2.35 0.10 0.10 !Y45N-CB
assign  (resid   15 and name    N)   (resid    6 and name  CD1)  5.67 0.16 0.16 !E15N-I6CD1
!violates calc1
!assign  (resid   14 and name    N)   (resid    6 and name  CD1)  6.34 0.15 0.15 !G14N-I6CD1
assign  (resid   14 and name    N)   (resid    6 and name  CD1)  6.34 1.15 1.15 !G14N-I6CD1
assign  (resid    4 and name   NZ)   (resid    6 and name  CD1)  4.60 0.15 0.15 !K4NZ-I6CD1
assign  (resid   16 and name    N)   (resid    6 and name  CD1)  5.74 0.16 0.16 !T16N-I6CD1
!violates calc2
!assign  (resid   54 and name    N)   (resid    6 and name  CD1)  6.79 0.17 0.17 !V54N-I6CD1
assign  (resid   54 and name    N)   (resid    6 and name  CD1)  6.79 1.17 1.17 !V54N-I6CD1
!violates calc5
!assign  (resid   52 and name    N)   (resid    6 and name  CD1)  5.43 0.14 0.14 !F52N-I6CD1
assign  (resid   52 and name    N)   (resid    6 and name  CD1)  5.43 1.14 1.14 !F52N-I6CD1
assign  (resid    6 and name    N)   (resid    6 and name  CD1)  3.39 0.10 0.10 !I6N-CD1
assign  (resid    7 and name    N)   (resid    6 and name  CD1)  4.74 3.74 6.54 !L7N-I6CD1
!violates calc1
!assign  (resid   53 and name    N)   (resid    6 and name  CD1)  5.10 0.10 0.10 !T53N-I6CD1
!violates calc 6 removed
!assign  (resid   53 and name    N)   (resid    6 and name  CD1)  5.10 1.10 1.10 !T53N-I6CD1
assign  (resid   56 and name    N)   (resid   10 and name   CD)  5.71 1.51 1.51 !E56N-K10CD
!violates calc1
!assign  (resid   10 and name   NZ)   (resid   10 and name   CD)  2.72 0.21 0.21 !K10NZ-CD
assign  (resid   10 and name   NZ)   (resid   10 and name   CD)  2.72 1.21 1.21 !K10NZ-CD
assign  (resid   11 and name    N)   (resid   10 and name   CD)  5.58 1.45 1.45 !T11N-K10CD
!violates calc4
!assign  (resid   13 and name    N)   (resid   13 and name   CD)  4.35 0.10 0.10 !K13N-CD
assign  (resid   13 and name    N)   (resid   13 and name   CD)  4.35 1.10 1.10 !K13N-CD
assign  (resid   13 and name   NZ)   (resid   13 and name   CD)  2.66 0.33 0.33 !K13NZ-CD
assign  (resid   28 and name    N)   (resid   28 and name   CD)  4.32 0.29 0.29 !K28N-CD
assign  (resid   28 and name   NZ)   (resid   28 and name   CD)  2.88 0.10 0.10 !K28NZ-CD
assign  (resid   29 and name    N)   (resid   28 and name   CD)  6.84 2.84 2.84 !V29N-K28CD
assign  (resid   31 and name   NZ)   (resid   31 and name   CD)  2.52 0.15 0.15 !K31NZ-CD
assign  (resid    4 and name    N)   (resid    4 and name   CD)  4.87 0.10 0.10 !K4N-CD
assign  (resid    4 and name   NZ)   (resid    4 and name   CD)  2.95 1.95 5.26 !K4NZ-CD
assign  (resid    5 and name    N)   (resid    4 and name   CD)  5.11 0.10 0.10 !L5N-K4CD
assign  (resid   50 and name    N)   (resid   50 and name   CD)  3.32 0.10 0.10 !K50N-CD
assign  (resid   50 and name   NZ)   (resid   50 and name   CD)  2.26 0.13 0.13 !K50NZ-CD
assign  (resid   49 and name    N)   (resid   50 and name   CD)  6.06 5.06 6.80 !T49N-K50CD
assign  (resid   38 and name    N)   (resid   12 and name  CD1)  4.31 0.10 0.10 !G38N-L12CD1
assign  (resid   37 and name  ND2)   (resid   12 and name  CD1)  3.06 0.10 0.10 !N37ND2-L12CD1
!intermolecular
!assign  (resid   46 and name    N)   (resid   12 and name  CD2)  3.98 0.47 0.47 !D46N-L12CD2
assign  (resid    9 and name    N)   (resid   12 and name  CD2)  5.65 1.47 1.47 !G9N-L12CD2
assign  (resid   12 and name    N)   (resid   12 and name  CD2)  3.99 0.10 0.10 !L12N-CD2
!intermolecular
!assign  (resid   44 and name    N)   (resid   12 and name  CD2)  1.00 0.00 0.10 !T44N-L12CD2
assign  (resid   14 and name    N)   (resid   12 and name  CD2)  5.17 0.83 0.83 !G14N-L12CD2
assign  (resid   13 and name    N)   (resid   12 and name  CD2)  3.44 0.43 0.43 !K13N-L12CD2
assign  (resid   37 and name  ND2)   (resid   12 and name  CD2)  5.68 1.54 1.54 !N37ND2-L12CD2
!intermolecular
!assign  (resid   45 and name    N)   (resid   12 and name  CD2)  4.31 0.10 0.10 !Y45N-L12CD2
assign  (resid   52 and name    N)   (resid    5 and name  CD2)  4.87 0.10 0.10 !F52N-L5CD2
assign  (resid    6 and name    N)   (resid    5 and name  CD2)  3.29 0.10 0.10 !I6N-L5CD2
!violates calc4
!assign  (resid   16 and name    N)   (resid    5 and name  CD2)  5.36 0.10 0.10 !T16N-L5CD2
assign  (resid   16 and name    N)   (resid    5 and name  CD2)  5.36 1.10 1.10 !T16N-L5CD2
assign  (resid   53 and name    N)   (resid    5 and name  CD2)  3.92 2.92 5.64 !T53N-L5CD2
assign  (resid   54 and name    N)   (resid    5 and name  CD2)  3.77 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign  (resid   15 and name    N)   (resid    7 and name  CD1)  3.98 0.10 0.10 !E15N-L7CD1
assign  (resid   15 and name    N)   (resid    7 and name  CD1)  3.98 1.10 1.10 !E15N-L7CD1
assign  (resid    7 and name    N)   (resid    7 and name  CD1)  3.28 0.10 0.10 !L7N-CD1
assign  (resid    8 and name    N)   (resid    7 and name  CD1)  4.79 3.79 4.73 !N8N-L7CD1
assign  (resid   16 and name    N)   (resid    7 and name  CD1)  4.06 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign  (resid   15 and name    N)   (resid    7 and name  CD2)  4.76 0.10 0.10 !E15N-L7CD2
assign  (resid   15 and name    N)   (resid    7 and name  CD2)  4.76 1.10 1.10 !E15N-L7CD2
!violates calc4
!assign  (resid   14 and name    N)   (resid    7 and name  CD2)  5.08 0.14 0.14 !G14N-L7CD2
assign  (resid   14 and name    N)   (resid    7 and name  CD2)  5.08 1.14 1.14 !G14N-L7CD2
assign  (resid    9 and name    N)   (resid    7 and name  CD2)  5.09 4.09 6.54 !G9N-L7CD2
assign  (resid   13 and name    N)   (resid    7 and name  CD2)  4.79 0.16 0.16 !K13N-L7CD2
assign  (resid   13 and name   NZ)   (resid    7 and name  CD2)  6.73 0.16 0.16 !K13NZ-L7CD2
!violates calc4
!assign  (resid    7 and name    N)   (resid    7 and name  CD2)  3.50 0.10 0.10 !L7N-CD2
assign  (resid    7 and name    N)   (resid    7 and name  CD2)  3.50 1.10 1.10 !L7N-CD2
!violates calc4
!assign  (resid    8 and name    N)   (resid    7 and name  CD2)  4.61 0.10 0.10 !N8N-L7CD2
assign  (resid    8 and name    N)   (resid    7 and name  CD2)  4.61 1.10 1.10 !N8N-L7CD2
!violates calc4
!assign  (resid    2 and name  NE2)   (resid    2 and name   CD)  1.82 0.10 0.10 !Q2NE2-CD
assign  (resid    2 and name  NE2)   (resid    2 and name   CD)  1.82 0.82 1.10 !Q2NE2-CD
assign  (resid   32 and name  NE2)   (resid   32 and name   CD)  1.70 0.10 0.10 !Q32NE2-CD
!violates calc4
!assign  (resid   10 and name   NZ)   (resid   10 and name   CE)  1.92 0.10 0.10 !K10NZ-CE
assign  (resid   10 and name   NZ)   (resid   10 and name   CE)  1.92 0.92 1.10 !K10NZ-CE
!violates calc1
!assign  (resid   13 and name   NZ)   (resid   13 and name   CE)  2.26 0.10 0.10 !K13NZ-CE
assign  (resid   13 and name   NZ)   (resid   13 and name   CE)  2.26 1.10 1.10 !K13NZ-CE
assign  (resid   28 and name    N)   (resid   28 and name   CE)  5.45 1.95 1.95 !K28N-CE
assign  (resid   28 and name   NZ)   (resid   28 and name   CE)  1.88 0.10 0.10 !K28NZ-CE
assign  (resid   31 and name   NZ)   (resid   31 and name   CE)  1.61 0.10 0.10 !K31NZ-CE
assign  (resid   50 and name   NZ)   (resid   50 and name   CE)  1.59 0.10 0.10 !K50NZ-CE
assign  (resid   23 and name    N)   (resid    1 and name   CE)  4.20 1.04 1.04 !A23N-M1CE
!intermolecular
!assign  (resid   28 and name   NZ)   (resid    1 and name   CE)  4.49 0.50 0.50 !K28NZ-M1CE
assign  (resid   50 and name   NZ)   (resid    1 and name   CE)  3.83 0.10 0.10 !K50NZ-M1CE
assign  (resid   21 and name    N)   (resid    1 and name   CE)  5.00 0.10 0.10 !V21N-M1CE
assign  (resid   22 and name    N)   (resid    1 and name   CE)  5.35 0.84 0.84 !D22N-M1CE
!intermolecular
!assign  (resid   31 and name    N)   (resid    1 and name   CE)  4.73 0.58 0.58 !K31N-M1CE
assign  (resid    1 and name    N)   (resid    1 and name   CE)  3.77 0.60 0.60 !M1N-CE
!intermolecular
!assign  (resid   29 and name    N)   (resid    1 and name   CE)  4.74 2.15 2.15 !V29N-M1CE
!intermolecular
!assign  (resid   28 and name    N)   (resid    1 and name   CE)  3.54 0.49 0.49 !K28N-M1CE
!intermolecular
!assign  (resid   31 and name   NZ)   (resid    1 and name   CE)  3.63 0.57 0.57 !K31NZ-M1CE
assign  (resid    2 and name    N)   (resid    1 and name   CE)  4.20 1.04 1.04 !Q2N-M1CE
assign  (resid    3 and name    N)   (resid    1 and name   CE)  5.42 1.45 1.45 !Y3N-M1CE
!violates calc1
!assign  (resid   40 and name    N)   (resid   40 and name   CG)  2.82 0.10 0.10 !D40N-CG
assign  (resid   40 and name    N)   (resid   40 and name   CG)  2.82 1.10 1.10 !D40N-CG
assign  (resid   41 and name    N)   (resid   40 and name   CG)  3.57 0.10 0.10 !G41N-D40CG
!violates calc1
!assign  (resid   16 and name    N)   (resid   15 and name   CG)  3.22 0.11 0.11 !T16N-E15CG
assign  (resid   16 and name    N)   (resid   15 and name   CG)  3.22 1.11 1.11 !T16N-E15CG
assign  (resid   15 and name    N)   (resid   15 and name   CG)  2.77 0.10 0.10 !E15N-CG
assign  (resid   26 and name    N)   (resid   27 and name   CG)  5.36 0.10 0.10 !A26N-E27CG
assign  (resid   28 and name    N)   (resid   27 and name   CG)  3.28 0.11 0.11 !K28N-E27CG
!violates calc4
!assign  (resid   31 and name   NZ)   (resid   27 and name   CG)  3.67 0.10 0.10 !K31NZ-E27CG
assign  (resid   31 and name   NZ)   (resid   27 and name   CG)  3.67 1.10 1.10 !K31NZ-E27CG
assign  (resid   27 and name    N)   (resid   27 and name   CG)  3.30 0.10 0.10 !E27N-CG
!violates calc1
!assign  (resid   31 and name    N)   (resid   27 and name   CG)  4.19 0.10 0.10 !K31N-E27CG
assign  (resid   31 and name    N)   (resid   27 and name   CG)  4.19 1.10 1.10 !K31N-E27CG
!intermolecular
!assign  (resid    1 and name    N)   (resid   27 and name   CG)  4.23 3.23 5.29 !M1N-E27CG
assign  (resid   42 and name    N)   (resid   42 and name   CG)  2.56 0.12 0.12 !E42N-CG
assign  (resid   56 and name    N)   (resid   56 and name   CG)  2.50 0.10 0.10 !E56N-CG
assign  (resid    6 and name    N)   (resid    6 and name  CG1)  2.76 0.10 0.10 !I6N-CG1
assign  (resid    7 and name    N)   (resid    6 and name  CG1)  4.35 0.27 0.27 !L7N-I6CG1
assign  (resid   53 and name    N)   (resid    6 and name  CG1)  5.40 1.12 1.12 !T53N-I6CG1
assign  (resid   15 and name    N)   (resid    6 and name  CG2)  5.57 1.65 1.65 !E15N-I6CG2
assign  (resid    9 and name    N)   (resid    6 and name  CG2)  6.40 5.40 6.76 !G9N-I6CG2
assign  (resid    7 and name    N)   (resid    6 and name  CG2)  3.04 0.10 0.10 !L7N-I6CG2
assign  (resid   16 and name    N)   (resid    6 and name  CG2)  5.64 1.93 1.93 !T16N-I6CG2
!violates calc4
!assign  (resid   52 and name    N)   (resid    6 and name  CG2)  5.56 1.28 1.28 !F52N-I6CG2
assign  (resid   52 and name    N)   (resid    6 and name  CG2)  5.56 2.28 2.28 !F52N-I6CG2
!violates calc4
!assign  (resid    6 and name    N)   (resid    6 and name  CG2)  3.30 0.10 0.10 !I6N-CG2
assign  (resid    6 and name    N)   (resid    6 and name  CG2)  3.30 1.10 1.10 !I6N-CG2
assign  (resid    8 and name    N)   (resid    6 and name  CG2)  4.67 0.24 0.24 !N8N-I6CG2
assign  (resid   53 and name    N)   (resid    6 and name  CG2)  5.81 4.81 6.83 !T53N-I6CG2
assign  (resid   14 and name    N)   (resid    6 and name  CG2)  5.46 1.46 1.46 !G14N-I6CG2
assign  (resid    4 and name   NZ)   (resid    6 and name  CG2)  7.30 5.73 5.73 !K4NZ-I6CG2
assign  (resid    8 and name  ND2)   (resid    6 and name  CG2)  5.57 1.65 1.65 !N8ND2-I6CG2
assign  (resid   10 and name    N)   (resid   10 and name   CG)  2.87 0.10 0.10 !K10N-CG
assign  (resid   10 and name   NZ)   (resid   10 and name   CG)  3.89 0.10 0.10 !K10NZ-CG
assign  (resid   11 and name    N)   (resid   10 and name   CG)  4.25 0.20 0.20 !T11N-K10CG
!violates calc1
!assign  (resid   14 and name    N)   (resid   13 and name   CG)  3.41 0.10 0.10 !G14N-K13CG
assign  (resid   14 and name    N)   (resid   13 and name   CG)  3.41 1.10 1.10 !G14N-K13CG
assign  (resid    9 and name    N)   (resid   13 and name   CG)  4.27 0.10 0.10 !G9N-K13CG
assign  (resid   13 and name    N)   (resid   13 and name   CG)  3.06 0.10 0.10 !K13N-CG
assign  (resid   13 and name   NZ)   (resid   13 and name   CG)  4.10 3.10 6.02 !K13NZ-CG
!intermolecular
!assign  (resid   45 and name    N)   (resid   13 and name   CG)  4.23 0.10 0.10 !Y45N-K13CG
assign  (resid   28 and name    N)   (resid   28 and name   CG)  2.67 0.22 0.22 !K28N-CG
!violates calc4
!assign  (resid   31 and name    N)   (resid   31 and name   CG)  2.43 0.16 0.16 !K31N-CG
assign  (resid   31 and name    N)   (resid   31 and name   CG)  2.43 1.16 1.16 !K31N-CG
assign  (resid    4 and name    N)   (resid    4 and name   CG)  3.94 0.10 0.10 !K4N-CG
assign  (resid    5 and name    N)   (resid    4 and name   CG)  3.43 0.10 0.10 !L5N-K4CG
assign  (resid   16 and name    N)   (resid    4 and name   CG)  4.42 0.28 0.28 !T16N-K4CG
assign  (resid   51 and name    N)   (resid    4 and name   CG)  5.30 2.33 2.33 !T51N-K4CG
assign  (resid   50 and name    N)   (resid   50 and name   CG)  2.70 0.29 0.29 !K50N-CG
assign  (resid   50 and name   NZ)   (resid   50 and name   CG)  3.74 0.27 0.27 !K50NZ-CG
!violates calc4
!assign  (resid   13 and name    N)   (resid   12 and name   CG)  3.08 0.10 0.10 !K13N-L12CG
assign  (resid   13 and name    N)   (resid   12 and name   CG)  3.08 1.10 1.10 !K13N-L12CG
assign  (resid    1 and name    N)   (resid    1 and name   CG)  3.61 0.50 0.50 !M1N-CG
assign  (resid    2 and name    N)   (resid    1 and name   CG)  3.01 0.10 0.10 !Q2N-M1CG
assign  (resid   21 and name    N)   (resid    1 and name   CG)  5.88 4.88 6.46 !V21N-M1CG
assign  (resid    3 and name    N)   (resid    1 and name   CG)  4.82 1.41 1.41 !Y3N-M1CG
assign  (resid   35 and name    N)   (resid   35 and name   CG)  3.53 0.10 0.10 !N35N-CG
!violates calc4
!assign  (resid   35 and name  ND2)   (resid   35 and name   CG)  1.87 0.10 0.10 !N35ND2-CG
assign  (resid   35 and name  ND2)   (resid   35 and name   CG)  1.87 0.87 1.10 !N35ND2-CG
assign  (resid   37 and name  ND2)   (resid   37 and name   CG)  1.42 0.10 0.10 !N37ND2-CG
assign  (resid    8 and name  ND2)   (resid    8 and name   CG)  1.41 0.10 0.10 !N8ND2-CG
assign  (resid    2 and name    N)   (resid    2 and name   CG)  3.12 0.10 0.10 !Q2N-CG
assign  (resid    2 and name  NE2)   (resid    2 and name   CG)  2.78 0.10 0.10 !Q2NE2-CG
assign  (resid   32 and name  NE2)   (resid   32 and name   CG)  2.59 0.12 0.12 !Q32NE2-CG
assign  (resid   12 and name    N)   (resid   11 and name  CG2)  4.38 0.40 0.40 !L12N-T11CG2
assign  (resid   11 and name    N)   (resid   11 and name  CG2)  2.80 0.12 0.12 !T11N-CG2
assign  (resid    5 and name    N)   (resid   16 and name  CG2)  4.83 0.98 0.98 !L5N-T16CG2
!violates calc1
!assign  (resid   16 and name    N)   (resid   16 and name  CG2)  2.63 0.37 0.37 !T16N-CG2
assign  (resid   16 and name    N)   (resid   16 and name  CG2)  2.63 1.37 1.37 !T16N-CG2
!violates calc1
!assign  (resid   17 and name    N)   (resid   17 and name  CG2)  2.56 0.21 0.21 !T17N-CG2
assign  (resid   17 and name    N)   (resid   17 and name  CG2)  2.56 1.21 1.21 !T17N-CG2
!violates calc4
!assign  (resid   19 and name    N)   (resid   18 and name  CG2)  3.07 0.10 0.10 !E19N-T18CG2
assign  (resid   19 and name    N)   (resid   18 and name  CG2)  3.07 1.10 1.10 !E19N-T18CG2
assign  (resid   18 and name    N)   (resid   18 and name  CG2)  2.81 0.10 0.10 !T18N-CG2
!violates calc4
!assign  (resid   25 and name    N)   (resid   25 and name  CG2)  2.72 0.10 0.10 !T25N-CG2
assign  (resid   25 and name    N)   (resid   25 and name  CG2)  2.72 1.10 1.10 !T25N-CG2
!intermolecular
!assign  (resid   15 and name    N)   (resid   44 and name  CG2)  3.44 0.10 0.10 !E15N-T44CG2
!intermolecular
!assign  (resid   14 and name    N)   (resid   44 and name  CG2)  4.85 0.86 0.86 !G14N-T44CG2
assign  (resid   44 and name    N)   (resid   44 and name  CG2)  2.71 0.11 0.11 !T44N-CG2
assign  (resid   50 and name    N)   (resid   49 and name  CG2)  5.16 0.88 0.88 !K50N-T49CG2
assign  (resid   49 and name    N)   (resid   49 and name  CG2)  2.88 0.25 0.25 !T49N-CG2
assign  (resid   51 and name    N)   (resid   49 and name  CG2)  5.12 0.90 0.90 !T51N-T49CG2
assign  (resid   52 and name    N)   (resid   51 and name  CG2)  3.18 0.15 0.15 !F52N-T51CG2
assign  (resid    4 and name    N)   (resid   51 and name  CG2)  5.15 0.40 0.40 !K4N-T51CG2
!violates calc4
!assign  (resid   51 and name    N)   (resid   51 and name  CG2)  3.23 0.10 0.10 !T51N-CG2
assign  (resid   51 and name    N)   (resid   51 and name  CG2)  3.23 1.10 1.10 !T51N-CG2
!violates calc1
!assign  (resid    6 and name    N)   (resid   53 and name  CG2)  3.54 0.10 0.10 !I6N-T53CG2
assign  (resid    6 and name    N)   (resid   53 and name  CG2)  3.54 1.10 1.10 !I6N-T53CG2
assign  (resid   53 and name    N)   (resid   53 and name  CG2)  2.97 0.10 0.10 !T53N-CG2
!violates calc4
!assign  (resid   56 and name    N)   (resid   55 and name  CG2)  2.89 0.52 0.52 !E56N-T55CG2
assign  (resid   56 and name    N)   (resid   55 and name  CG2)  2.89 1.52 1.52 !E56N-T55CG2
!violates calc4
!assign  (resid    8 and name  ND2)   (resid   55 and name  CG2)  3.80 0.10 0.10 !N8ND2-T55CG2
assign  (resid    8 and name  ND2)   (resid   55 and name  CG2)  3.80 1.10 1.10 !N8ND2-T55CG2
assign  (resid   55 and name    N)   (resid   55 and name  CG2)  2.90 0.24 0.24 !T55N-CG2
assign  (resid   22 and name    N)   (resid   21 and name  CG1)  2.93 0.16 0.16 !D22N-V21CG1
!violates calc1
!assign  (resid   21 and name    N)   (resid   21 and name  CG1)  2.61 0.19 0.19 !V21N-CG1
assign  (resid   21 and name    N)   (resid   21 and name  CG1)  2.61 1.19 1.19 !V21N-CG1
assign  (resid   22 and name    N)   (resid   21 and name  CG2)  3.02 0.29 0.29 !D22N-V21CG2
!violates calc2
!assign  (resid   21 and name    N)   (resid   21 and name  CG2)  2.81 0.32 0.32 !V21N-CG2
assign  (resid   21 and name    N)   (resid   21 and name  CG2)  2.81 1.32 1.32 !V21N-CG2
!violates calc4
!assign  (resid   30 and name    N)   (resid   29 and name  CG1)  2.81 0.10 0.10 !F30N-V29CG1
assign  (resid   30 and name    N)   (resid   29 and name  CG1)  2.81 1.10 1.10 !F30N-V29CG1
!violates calc1
!assign  (resid   28 and name    N)   (resid   29 and name  CG1)  4.67 0.74 0.74 !K28N-V29CG1
assign  (resid   28 and name    N)   (resid   29 and name  CG1)  4.67 1.74 1.74 !K28N-V29CG1
!violates calc2
!assign  (resid   29 and name    N)   (resid   29 and name  CG1)  2.96 0.10 0.10 !V29N-CG1
assign  (resid   29 and name    N)   (resid   29 and name  CG1)  2.96 1.10 1.10 !V29N-CG1
assign  (resid   27 and name    N)   (resid   29 and name  CG2)  5.39 2.05 2.05 !E27N-V29CG2
assign  (resid   30 and name    N)   (resid   29 and name  CG2)  4.29 0.26 0.26 !F30N-V29CG2
assign  (resid   28 and name    N)   (resid   29 and name  CG2)  5.28 1.86 1.86 !K28N-V29CG2
assign  (resid   29 and name    N)   (resid   29 and name  CG2)  2.69 0.10 0.10 !V29N-CG2
assign  (resid   40 and name    N)   (resid   39 and name  CG1)  3.26 2.26 5.48 !D40N-V39CG1
assign  (resid    9 and name    N)   (resid   39 and name  CG1)  4.85 0.38 0.38 !G9N-V39CG1
assign  (resid   12 and name    N)   (resid   39 and name  CG1)  6.09 0.39 0.39 !L12N-V39CG1
assign  (resid   11 and name    N)   (resid   39 and name  CG1)  6.80 0.38 0.38 !T11N-V39CG1
assign  (resid   39 and name    N)   (resid   39 and name  CG1)  2.81 0.10 0.10 !V39N-CG1
assign  (resid   37 and name    N)   (resid   39 and name  CG1)  5.64 0.39 0.39 !N37N-V39CG1
assign  (resid   41 and name    N)   (resid   54 and name  CG1)  6.13 2.85 2.85 !G41N-V54CG1
assign  (resid    9 and name    N)   (resid   54 and name  CG1)  5.76 1.03 1.03 !G9N-V54CG1
assign  (resid    6 and name    N)   (resid   54 and name  CG1)  5.89 2.02 2.02 !I6N-V54CG1
assign  (resid    7 and name    N)   (resid   54 and name  CG1)  4.87 0.70 0.70 !L7N-V54CG1
assign  (resid   53 and name    N)   (resid   54 and name  CG1)  6.13 2.44 2.44 !T53N-V54CG1
assign  (resid   55 and name    N)   (resid   54 and name  CG1)  4.15 0.10 0.10 !T55N-V54CG1
assign  (resid   54 and name    N)   (resid   54 and name  CG1)  3.04 0.12 0.12 !V54N-CG1
!violates calc1
!assign  (resid   43 and name    N)   (resid   54 and name  CG1)  4.64 0.51 0.51 !W43N-V54CG1
!violates again calc5
!assign  (resid   43 and name    N)   (resid   54 and name  CG1)  4.64 1.51 1.51 !W43N-V54CG1
assign  (resid   43 and name  NE1)   (resid   54 and name  CG1)  5.00 0.85 0.85 !W43NE1-V54CG1
assign  (resid   34 and name    N)   (resid   54 and name  CG1)  6.17 5.17 6.99 !A34N-V54CG1
assign  (resid   56 and name    N)   (resid   54 and name  CG1)  6.13 2.85 2.85 !E56N-V54CG1
assign  (resid   32 and name    N)   (resid   54 and name  CG1)  6.30 5.30 6.72 !Q32N-V54CG1
assign  (resid   41 and name    N)   (resid   54 and name  CG2)  3.05 0.10 0.10 !G41N-V54CG2
!violates calc1
!assign  (resid   54 and name    N)   (resid   54 and name  CG2)  3.09 0.10 0.10 !V54N-CG2
assign  (resid   54 and name    N)   (resid   54 and name  CG2)  3.09 1.10 1.10 !V54N-CG2
assign  (resid   43 and name  NE1)   (resid   54 and name  CG2)  3.21 0.10 0.10 !W43NE1-V54CG2
assign  (resid   55 and name    N)   (resid   54 and name  CG2)  2.92 1.92 5.23 !T55N-V54CG2
assign  (resid   43 and name    N)   (resid   54 and name  CG2)  4.94 0.10 0.10 !W43N-V54CG2
assign  (resid   20 and name    N)   (resid   20 and name   CA)  1.44 0.10 0.10 !A20N-CA
assign  (resid   22 and name    N)   (resid   20 and name   CA)  4.68 2.37 2.37 !D22N-A20CA
assign  (resid    1 and name    N)   (resid   20 and name   CA)  5.20 4.20 6.53 !M1N-A20CA
assign  (resid   21 and name    N)   (resid   20 and name   CA)  2.70 0.10 0.10 !V21N-A20CA
assign  (resid   23 and name    N)   (resid   23 and name   CA)  1.44 0.10 0.10 !A23N-CA
assign  (resid   24 and name    N)   (resid   24 and name   CA)  1.53 0.10 0.10 !A24N-CA
assign  (resid   25 and name    N)   (resid   24 and name   CA)  2.80 0.10 0.10 !T25N-A24CA
assign  (resid   26 and name    N)   (resid   26 and name   CA)  1.45 0.10 0.10 !A26N-CA
assign  (resid   27 and name    N)   (resid   26 and name   CA)  2.51 0.16 0.16 !E27N-A26CA
assign  (resid   25 and name    N)   (resid   26 and name   CA)  4.24 1.13 1.13 !T25N-A26CA
assign  (resid   34 and name    N)   (resid   34 and name   CA)  1.46 0.10 0.10 !A34N-CA
assign  (resid   35 and name    N)   (resid   34 and name   CA)  2.50 0.12 0.12 !N35N-A34CA
assign  (resid   48 and name    N)   (resid   48 and name   CA)  1.46 0.10 0.10 !A48N-CA
assign  (resid   47 and name    N)   (resid   48 and name   CA)  4.22 1.45 1.45 !D47N-A48CA
assign  (resid   49 and name    N)   (resid   48 and name   CA)  2.49 0.10 0.10 !T49N-A48CA
assign  (resid   23 and name    N)   (resid   22 and name   CA)  2.50 0.16 0.16 !A23N-D22CA
assign  (resid   22 and name    N)   (resid   22 and name   CA)  1.44 0.10 0.10 !D22N-CA
assign  (resid   21 and name    N)   (resid   22 and name   CA)  3.82 0.89 0.89 !V21N-D22CA
assign  (resid   36 and name    N)   (resid   36 and name   CA)  1.44 0.10 0.10 !D36N-CA
assign  (resid   37 and name    N)   (resid   36 and name   CA)  2.51 0.18 0.18 !N37N-D36CA
assign  (resid   40 and name    N)   (resid   40 and name   CA)  1.48 0.10 0.10 !D40N-CA
assign  (resid   41 and name    N)   (resid   40 and name   CA)  2.59 0.10 0.10 !G41N-D40CA
assign  (resid   48 and name    N)   (resid   46 and name   CA)  4.20 0.98 0.98 !A48N-D46CA
assign  (resid   46 and name    N)   (resid   46 and name   CA)  1.45 0.10 0.10 !D46N-CA
assign  (resid   47 and name    N)   (resid   46 and name   CA)  2.61 0.10 0.10 !D47N-D46CA
assign  (resid   48 and name    N)   (resid   47 and name   CA)  2.82 0.41 0.41 !A48N-D47CA
assign  (resid   47 and name    N)   (resid   47 and name   CA)  1.41 0.10 0.10 !D47N-CA
assign  (resid   49 and name    N)   (resid   47 and name   CA)  5.95 4.95 5.76 !T49N-D47CA
assign  (resid   15 and name    N)   (resid   15 and name   CA)  1.44 0.10 0.10 !E15N-CA
assign  (resid   16 and name    N)   (resid   15 and name   CA)  2.70 0.20 0.20 !T16N-E15CA
assign  (resid   19 and name    N)   (resid   19 and name   CA)  1.53 0.10 0.10 !E19N-CA
assign  (resid   27 and name    N)   (resid   27 and name   CA)  1.44 0.10 0.10 !E27N-CA
assign  (resid   28 and name    N)   (resid   27 and name   CA)  2.49 0.10 0.10 !K28N-E27CA
assign  (resid   42 and name    N)   (resid   42 and name   CA)  1.06 0.06 0.10 !E42N-CA
assign  (resid   56 and name    N)   (resid   56 and name   CA)  1.44 0.28 0.28 !E56N-CA
assign  (resid   30 and name    N)   (resid   30 and name   CA)  1.45 0.10 0.10 !F30N-CA
assign  (resid   31 and name    N)   (resid   30 and name   CA)  2.56 0.10 0.10 !K31N-F30CA
assign  (resid   52 and name    N)   (resid   52 and name   CA)  1.43 0.10 0.10 !F52N-CA
assign  (resid   53 and name    N)   (resid   52 and name   CA)  2.64 0.16 0.16 !T53N-F52CA
assign  (resid   14 and name    N)   (resid   14 and name   CA)  1.43 0.10 0.10 !G14N-CA
assign  (resid   15 and name    N)   (resid   14 and name   CA)  2.62 0.14 0.14 !E15N-G14CA
assign  (resid   38 and name    N)   (resid   38 and name   CA)  1.43 0.10 0.10 !G38N-CA
assign  (resid   37 and name    N)   (resid   38 and name   CA)  4.36 1.53 1.53 !N37N-G38CA
assign  (resid   39 and name    N)   (resid   38 and name   CA)  2.60 0.10 0.10 !V39N-G38CA
assign  (resid   41 and name    N)   (resid   41 and name   CA)  1.47 0.10 0.10 !G41N-CA
assign  (resid   40 and name    N)   (resid   41 and name   CA)  4.34 1.10 1.10 !D40N-G41CA
assign  (resid   42 and name    N)   (resid   41 and name   CA)  2.63 0.10 0.10 !E42N-G41CA
assign  (resid    9 and name    N)   (resid    9 and name   CA)  1.44 0.10 0.10 !G9N-CA
assign  (resid   13 and name    N)   (resid    9 and name   CA)  5.64 4.64 5.18 !K13N-G9CA
assign  (resid    8 and name    N)   (resid    9 and name   CA)  4.91 2.64 2.64 !N8N-G9CA
assign  (resid   10 and name    N)   (resid    9 and name   CA)  2.58 0.17 0.17 !K10N-G9CA
assign  (resid   12 and name    N)   (resid    9 and name   CA)  4.65 2.55 2.55 !L12N-G9CA
assign  (resid   10 and name    N)   (resid   10 and name   CA)  1.45 0.10 0.10 !K10N-CA
assign  (resid   11 and name    N)   (resid   10 and name   CA)  2.53 0.11 0.11 !T11N-K10CA
assign  (resid   14 and name    N)   (resid   13 and name   CA)  2.58 0.14 0.14 !G14N-K13CA
assign  (resid   13 and name    N)   (resid   13 and name   CA)  1.44 0.10 0.10 !K13N-CA
assign  (resid   28 and name    N)   (resid   28 and name   CA)  1.44 0.10 0.10 !K28N-CA
assign  (resid   29 and name    N)   (resid   28 and name   CA)  2.39 0.10 0.10 !V29N-K28CA
assign  (resid   31 and name    N)   (resid   31 and name   CA)  1.45 0.10 0.10 !K31N-CA
assign  (resid   32 and name    N)   (resid   31 and name   CA)  2.53 0.12 0.12 !Q32N-K31CA
assign  (resid    4 and name    N)   (resid    4 and name   CA)  1.44 0.10 0.10 !K4N-CA
assign  (resid    5 and name    N)   (resid    4 and name   CA)  2.54 0.10 0.10 !L5N-K4CA
assign  (resid   50 and name    N)   (resid   50 and name   CA)  1.44 0.10 0.10 !K50N-CA
assign  (resid   49 and name    N)   (resid   50 and name   CA)  4.95 1.30 1.30 !T49N-K50CA
assign  (resid   36 and name    N)   (resid   35 and name   CA)  2.60 0.10 0.10 !D36N-N35CA
assign  (resid   35 and name    N)   (resid   35 and name   CA)  1.41 0.10 0.10 !N35N-CA
assign  (resid   38 and name    N)   (resid   37 and name   CA)  2.59 0.21 0.21 !G38N-N37CA
assign  (resid   37 and name    N)   (resid   37 and name   CA)  1.48 0.10 0.10 !N37N-CA
assign  (resid   37 and name  ND2)   (resid   37 and name   CA)  4.29 1.20 1.20 !N37ND2-CA
assign  (resid    9 and name    N)   (resid    8 and name   CA)  2.46 0.17 0.17 !G9N-N8CA
assign  (resid    8 and name    N)   (resid    8 and name   CA)  1.50 0.10 0.10 !N8N-CA
assign  (resid    8 and name  ND2)   (resid    8 and name   CA)  4.05 0.90 0.90 !N8ND2-CA
assign  (resid    3 and name    N)   (resid    2 and name   CA)  2.33 0.10 0.10 !Y3N-Q2CA
assign  (resid   32 and name    N)   (resid   32 and name   CA)  1.47 0.10 0.10 !Q32N-CA
assign  (resid   12 and name    N)   (resid   11 and name   CA)  2.56 0.10 0.10 !L12N-T11CA
assign  (resid   11 and name    N)   (resid   11 and name   CA)  1.43 0.43 0.63 !T11N-CA
assign  (resid   16 and name    N)   (resid   16 and name   CA)  1.38 0.10 0.10 !T16N-CA
assign  (resid   19 and name    N)   (resid   18 and name   CA)  2.58 0.15 0.15 !E19N-T18CA
assign  (resid   18 and name    N)   (resid   18 and name   CA)  1.44 0.10 0.10 !T18N-CA
assign  (resid   24 and name    N)   (resid   25 and name   CA)  4.68 1.60 1.60 !A24N-T25CA
assign  (resid   26 and name    N)   (resid   25 and name   CA)  2.53 0.15 0.15 !A26N-T25CA
assign  (resid   25 and name    N)   (resid   25 and name   CA)  1.49 0.10 0.10 !T25N-CA
assign  (resid   44 and name    N)   (resid   44 and name   CA)  1.43 0.10 0.10 !T44N-CA
assign  (resid   45 and name    N)   (resid   44 and name   CA)  2.59 0.10 0.10 !Y45N-T44CA
assign  (resid   49 and name    N)   (resid   49 and name   CA)  1.44 0.10 0.10 !T49N-CA
assign  (resid   52 and name    N)   (resid   51 and name   CA)  2.59 0.15 0.15 !F52N-T51CA
assign  (resid   50 and name    N)   (resid   51 and name   CA)  4.63 3.27 3.27 !K50N-T51CA
assign  (resid   51 and name    N)   (resid   51 and name   CA)  1.43 0.10 0.10 !T51N-CA
assign  (resid   53 and name    N)   (resid   53 and name   CA)  1.43 0.10 0.10 !T53N-CA
assign  (resid   54 and name    N)   (resid   53 and name   CA)  2.82 0.10 0.10 !V54N-T53CA
assign  (resid   56 and name    N)   (resid   55 and name   CA)  2.61 0.18 0.18 !E56N-T55CA
assign  (resid   55 and name    N)   (resid   55 and name   CA)  1.46 0.10 0.10 !T55N-CA
assign  (resid   43 and name    N)   (resid   43 and name   CA)  1.43 0.10 0.10 !W43N-CA
assign  (resid   34 and name    N)   (resid   33 and name   CA)  2.39 0.15 0.15 !A34N-Y33CA
assign  (resid   33 and name    N)   (resid   33 and name   CA)  1.44 0.10 0.10 !Y33N-CA
assign  (resid    4 and name    N)   (resid    3 and name   CA)  2.57 0.19 0.19 !K4N-Y3CA
assign  (resid    2 and name    N)   (resid    3 and name   CA)  4.13 1.02 1.02 !Q2N-Y3CA
assign  (resid   18 and name    N)   (resid    3 and name   CA)  5.03 4.03 5.10 !T18N-Y3CA
assign  (resid    3 and name    N)   (resid    3 and name   CA)  1.44 0.10 0.10 !Y3N-CA
assign  (resid   46 and name    N)   (resid   45 and name   CA)  2.56 0.14 0.14 !D46N-Y45CA
assign  (resid   47 and name    N)   (resid   45 and name   CA)  5.95 4.95 6.15 !D47N-Y45CA
assign  (resid   45 and name    N)   (resid   45 and name   CA)  1.44 0.10 0.10 !Y45N-CA
assign  (resid   20 and name    N)   (resid   20 and name   CB)  2.41 0.20 0.20 !A20N-CB
assign  (resid   26 and name    N)   (resid   20 and name   CB)  4.08 0.45 0.45 !A26N-A20CB
assign  (resid   22 and name    N)   (resid   20 and name   CB)  3.92 0.10 0.10 !D22N-A20CB
assign  (resid   21 and name    N)   (resid   20 and name   CB)  3.25 0.10 0.10 !V21N-A20CB
assign  (resid   23 and name    N)   (resid   23 and name   CB)  2.34 0.10 0.10 !A23N-CB
assign  (resid   24 and name    N)   (resid   24 and name   CB)  2.35 0.10 0.10 !A24N-CB
assign  (resid   25 and name    N)   (resid   24 and name   CB)  3.39 0.10 0.10 !T25N-A24CB
assign  (resid   26 and name    N)   (resid   26 and name   CB)  2.42 0.13 0.13 !A26N-CB
assign  (resid   27 and name    N)   (resid   26 and name   CB)  3.36 0.31 0.31 !E27N-A26CB
assign  (resid   28 and name    N)   (resid   26 and name   CB)  5.28 0.98 0.98 !K28N-A26CB
assign  (resid   34 and name    N)   (resid   34 and name   CB)  2.42 0.10 0.10 !A34N-CB
assign  (resid   35 and name    N)   (resid   34 and name   CB)  3.32 0.10 0.10 !N35N-A34CB
assign  (resid   48 and name    N)   (resid   48 and name   CB)  2.45 0.10 0.10 !A48N-CB
assign  (resid   49 and name    N)   (resid   48 and name   CB)  3.38 0.10 0.10 !T49N-A48CB
assign  (resid   23 and name    N)   (resid   22 and name   CB)  3.21 0.10 0.10 !A23N-D22CB
assign  (resid   22 and name    N)   (resid   22 and name   CB)  2.44 0.13 0.13 !D22N-CB
assign  (resid   36 and name    N)   (resid   36 and name   CB)  2.44 0.10 0.10 !D36N-CB
assign  (resid   37 and name    N)   (resid   36 and name   CB)  3.46 0.10 0.10 !N37N-D36CB
assign  (resid   40 and name    N)   (resid   40 and name   CB)  2.46 0.18 0.18 !D40N-CB
assign  (resid   41 and name    N)   (resid   40 and name   CB)  3.64 0.46 0.46 !G41N-D40CB
assign  (resid   46 and name    N)   (resid   46 and name   CB)  2.48 0.22 0.22 !D46N-CB
assign  (resid   47 and name    N)   (resid   46 and name   CB)  3.90 0.10 0.10 !D47N-D46CB
!violates calc1
!assign  (resid   48 and name    N)   (resid   47 and name   CB)  4.32 0.18 0.18 !A48N-D47CB
assign  (resid   48 and name    N)   (resid   47 and name   CB)  4.32 1.18 1.18 !A48N-D47CB
!violates calc4
!assign  (resid   47 and name    N)   (resid   47 and name   CB)  3.00 0.17 0.17 !D47N-CB
assign  (resid   47 and name    N)   (resid   47 and name   CB)  3.00 1.17 1.17 !D47N-CB
assign  (resid   15 and name    N)   (resid   15 and name   CB)  2.50 0.18 0.18 !E15N-CB
assign  (resid   27 and name    N)   (resid   27 and name   CB)  2.42 0.11 0.11 !E27N-CB
assign  (resid   28 and name    N)   (resid   27 and name   CB)  3.20 0.10 0.10 !K28N-E27CB
assign  (resid   42 and name    N)   (resid   42 and name   CB)  2.51 0.14 0.14 !E42N-CB
assign  (resid   43 and name    N)   (resid   42 and name   CB)  3.41 0.29 0.29 !W43N-E42CB
assign  (resid   56 and name    N)   (resid   56 and name   CB)  2.45 0.10 0.10 !E56N-CB
assign  (resid    6 and name    N)   (resid    6 and name   CB)  2.50 0.32 0.32 !I6N-CB
assign  (resid    7 and name    N)   (resid    6 and name   CB)  3.50 0.10 0.10 !L7N-I6CB
assign  (resid   54 and name    N)   (resid    6 and name   CB)  5.72 0.10 0.10 !V54N-I6CB
assign  (resid   10 and name    N)   (resid   10 and name   CB)  2.38 0.10 0.10 !K10N-CB
assign  (resid   11 and name    N)   (resid   10 and name   CB)  3.37 0.10 0.10 !T11N-K10CB
assign  (resid   14 and name    N)   (resid   13 and name   CB)  3.21 0.31 0.31 !G14N-K13CB
assign  (resid   13 and name    N)   (resid   13 and name   CB)  2.41 0.36 0.36 !K13N-CB
assign  (resid   28 and name    N)   (resid   28 and name   CB)  2.41 0.10 0.10 !K28N-CB
assign  (resid   29 and name    N)   (resid   28 and name   CB)  3.15 0.14 0.14 !V29N-K28CB
assign  (resid   31 and name    N)   (resid   31 and name   CB)  2.35 0.10 0.10 !K31N-CB
assign  (resid    4 and name    N)   (resid    4 and name   CB)  2.42 0.10 0.10 !K4N-CB
assign  (resid    5 and name    N)   (resid    4 and name   CB)  3.34 0.12 0.12 !L5N-K4CB
assign  (resid   50 and name    N)   (resid   50 and name   CB)  2.43 0.10 0.10 !K50N-CB
assign  (resid   50 and name   NZ)   (resid   50 and name   CB)  4.66 0.53 0.53 !K50NZ-CB
assign  (resid   51 and name    N)   (resid   50 and name   CB)  4.15 1.07 1.07 !T51N-K50CB
assign  (resid   12 and name    N)   (resid   12 and name   CB)  2.38 0.10 0.10 !L12N-CB
assign  (resid   14 and name    N)   (resid    7 and name   CB)  4.01 1.04 1.04 !G14N-L7CB
assign  (resid    7 and name    N)   (resid    7 and name   CB)  2.45 0.34 0.34 !L7N-CB
assign  (resid    8 and name    N)   (resid    7 and name   CB)  3.67 0.20 0.20 !N8N-L7CB
!intermolecular
!assign  (resid   31 and name   NZ)   (resid    1 and name   CB)  4.87 1.08 1.08 !K31NZ-M1CB
assign  (resid    1 and name    N)   (resid    1 and name   CB)  2.44 0.10 0.10 !M1N-CB
assign  (resid    2 and name    N)   (resid    1 and name   CB)  3.34 0.23 0.23 !Q2N-M1CB
assign  (resid   36 and name    N)   (resid   35 and name   CB)  3.15 0.13 0.13 !D36N-N35CB
assign  (resid   35 and name    N)   (resid   35 and name   CB)  2.42 0.10 0.10 !N35N-CB
!violates calc1
!assign  (resid   35 and name  ND2)   (resid   35 and name   CB)  3.74 0.10 0.10 !N35ND2-CB
assign  (resid   35 and name  ND2)   (resid   35 and name   CB)  3.74 1.10 1.10 !N35ND2-CB
!violates calc5
!assign  (resid   38 and name    N)   (resid   37 and name   CB)  3.88 0.10 0.10 !G38N-N37CB
assign  (resid   38 and name    N)   (resid   37 and name   CB)  3.88 1.10 1.10 !G38N-N37CB
assign  (resid   37 and name    N)   (resid   37 and name   CB)  2.27 0.10 0.10 !N37N-CB
assign  (resid   37 and name  ND2)   (resid   37 and name   CB)  2.58 0.11 0.11 !N37ND2-CB
assign  (resid   32 and name    N)   (resid   32 and name   CB)  2.24 0.12 0.12 !Q32N-CB
assign  (resid   32 and name  NE2)   (resid   32 and name   CB)  3.91 0.37 0.37 !Q32NE2-CB
assign  (resid   12 and name    N)   (resid   11 and name   CB)  3.58 0.10 0.10 !L12N-T11CB
assign  (resid   11 and name    N)   (resid   11 and name   CB)  2.50 0.10 0.10 !T11N-CB
assign  (resid   16 and name    N)   (resid   16 and name   CB)  2.43 0.13 0.13 !T16N-CB
assign  (resid   17 and name    N)   (resid   16 and name   CB)  3.24 0.10 0.10 !T17N-T16CB
assign  (resid   17 and name    N)   (resid   17 and name   CB)  2.15 0.56 0.56 !T17N-CB
assign  (resid   19 and name    N)   (resid   18 and name   CB)  3.26 0.10 0.10 !E19N-T18CB
assign  (resid   18 and name    N)   (resid   18 and name   CB)  2.46 0.10 0.10 !T18N-CB
assign  (resid   26 and name    N)   (resid   25 and name   CB)  3.48 0.43 0.43 !A26N-T25CB
assign  (resid   25 and name    N)   (resid   25 and name   CB)  2.44 0.15 0.15 !T25N-CB
assign  (resid   44 and name    N)   (resid   44 and name   CB)  2.45 0.10 0.10 !T44N-CB
assign  (resid   53 and name    N)   (resid   44 and name   CB)  4.79 0.59 0.59 !T53N-T44CB
assign  (resid   45 and name    N)   (resid   44 and name   CB)  3.31 0.10 0.10 !Y45N-T44CB
assign  (resid   50 and name    N)   (resid   49 and name   CB)  3.84 0.10 0.10 !K50N-T49CB
assign  (resid   49 and name    N)   (resid   49 and name   CB)  2.45 0.10 0.10 !T49N-CB
assign  (resid   51 and name    N)   (resid   49 and name   CB)  4.81 0.56 0.56 !T51N-T49CB
assign  (resid   46 and name    N)   (resid   51 and name   CB)  5.28 3.00 3.00 !D46N-T51CB
assign  (resid   52 and name    N)   (resid   51 and name   CB)  3.63 0.27 0.27 !F52N-T51CB
assign  (resid   50 and name    N)   (resid   51 and name   CB)  5.51 0.79 0.79 !K50N-T51CB
assign  (resid   49 and name    N)   (resid   51 and name   CB)  5.95 1.79 1.79 !T49N-T51CB
assign  (resid   51 and name    N)   (resid   51 and name   CB)  2.47 0.10 0.10 !T51N-CB
assign  (resid   56 and name    N)   (resid   55 and name   CB)  3.66 0.10 0.10 !E56N-T55CB
assign  (resid   55 and name    N)   (resid   55 and name   CB)  2.48 0.15 0.15 !T55N-CB
assign  (resid   21 and name    N)   (resid   21 and name   CB)  2.43 0.10 0.10 !V21N-CB
assign  (resid   15 and name    N)   (resid   15 and name   CD)  3.71 0.10 0.10 !E15N-CD
assign  (resid    6 and name    N)   (resid   15 and name   CD)  5.76 0.10 0.10 !I6N-E15CD
assign  (resid    7 and name    N)   (resid   15 and name   CD)  5.62 0.10 0.10 !L7N-E15CD
!intermolecular
!assign  (resid   43 and name    N)   (resid   15 and name   CD)  4.63 0.10 0.10 !W43N-E15CD
!intermolecular
!assign  (resid   42 and name    N)   (resid   15 and name   CD)  4.03 0.10 0.10 !E42N-E15CD
assign  (resid    4 and name   NZ)   (resid   15 and name   CD)  3.71 0.10 0.10 !K4NZ-E15CD
assign  (resid   16 and name    N)   (resid   15 and name   CD)  4.24 3.24 6.87 !T16N-E15CD
!violates calc1
!assign  (resid   19 and name    N)   (resid   19 and name   CD)  3.60 0.10 0.10 !E19N-CD
assign  (resid   19 and name    N)   (resid   19 and name   CD)  3.60 1.10 1.10 !E19N-CD
!intermolecular
!assign  (resid   13 and name   NZ)   (resid   19 and name   CD)  6.40 5.40 7.08 !K13NZ-E19CD
assign  (resid    1 and name    N)   (resid   19 and name   CD)  4.14 0.24 0.24 !M1N-E19CD
assign  (resid    2 and name  NE2)   (resid   19 and name   CD)  5.53 0.25 0.25 !Q2NE2-E19CD
assign  (resid   18 and name    N)   (resid   19 and name   CD)  6.86 0.35 0.35 !T18N-E19CD
assign  (resid    3 and name    N)   (resid   19 and name   CD)  7.08 0.35 0.35 !Y3N-E19CD
assign  (resid   26 and name    N)   (resid   27 and name   CD)  6.21 0.10 0.10 !A26N-E27CD
assign  (resid   27 and name    N)   (resid   27 and name   CD)  4.94 0.10 0.10 !E27N-CD
assign  (resid   28 and name    N)   (resid   27 and name   CD)  4.25 0.10 0.10 !K28N-E27CD
assign  (resid   31 and name   NZ)   (resid   27 and name   CD)  4.00 0.10 0.10 !K31NZ-E27CD
!intermolecular
!assign  (resid    1 and name    N)   (resid   27 and name   CD)  3.45 2.45 6.61 !M1N-E27CD
assign  (resid   40 and name    N)   (resid   56 and name   CD)  3.42 0.20 0.20 !D40N-E56CD
assign  (resid    9 and name    N)   (resid   56 and name   CD)  4.89 1.06 1.06 !G9N-E56CD
assign  (resid   10 and name   NZ)   (resid   56 and name   CD)  5.69 4.69 6.56 !K10NZ-E56CD
assign  (resid   11 and name    N)   (resid   56 and name   CD)  5.45 0.99 0.99 !T11N-E56CD
assign  (resid   39 and name    N)   (resid   56 and name   CD)  4.83 0.74 0.74 !V39N-E56CD
assign  (resid   41 and name    N)   (resid   56 and name   CD)  4.50 0.30 0.30 !G41N-E56CD
assign  (resid   10 and name    N)   (resid   56 and name   CD)  3.60 0.13 0.13 !K10N-E56CD
assign  (resid   13 and name   NZ)   (resid   56 and name   CD)  7.18 6.18 6.68 !K13NZ-E56CD
assign  (resid   55 and name    N)   (resid   56 and name   CD)  6.50 2.64 2.64 !T55N-E56CD
assign  (resid   15 and name    N)   (resid    6 and name  CD1)  5.91 1.03 1.03 !E15N-I6CD1
assign  (resid    6 and name    N)   (resid    6 and name  CD1)  3.62 0.33 0.33 !I6N-CD1
assign  (resid    7 and name    N)   (resid    6 and name  CD1)  4.55 3.55 6.27 !L7N-I6CD1
assign  (resid   53 and name    N)   (resid    6 and name  CD1)  5.35 3.54 3.54 !T53N-I6CD1
assign  (resid   52 and name    N)   (resid    6 and name  CD1)  5.65 0.64 0.64 !F52N-I6CD1
assign  (resid    4 and name    N)   (resid    6 and name  CD1)  6.89 1.83 1.83 !K4N-I6CD1
assign  (resid    8 and name    N)   (resid    6 and name  CD1)  7.30 3.14 3.14 !N8N-I6CD1
assign  (resid   54 and name    N)   (resid    6 and name  CD1)  6.82 1.69 1.69 !V54N-I6CD1
assign  (resid   14 and name    N)   (resid    6 and name  CD1)  7.30 1.98 1.98 !G14N-I6CD1
assign  (resid    4 and name   NZ)   (resid    6 and name  CD1)  5.05 0.44 0.44 !K4NZ-I6CD1
assign  (resid   16 and name    N)   (resid    6 and name  CD1)  5.91 1.03 1.03 !T16N-I6CD1
assign  (resid   10 and name    N)   (resid   10 and name   CD)  4.31 0.10 0.10 !K10N-CD
!violates calc2
!assign  (resid   10 and name   NZ)   (resid   10 and name   CD)  3.52 0.27 0.27 !K10NZ-CD
assign  (resid   10 and name   NZ)   (resid   10 and name   CD)  3.52 1.27 1.27 !K10NZ-CD
assign  (resid   11 and name    N)   (resid   10 and name   CD)  6.28 1.69 1.69 !T11N-K10CD
assign  (resid   13 and name    N)   (resid   13 and name   CD)  3.87 0.40 0.40 !K13N-CD
!violates calc4
!assign  (resid   13 and name   NZ)   (resid   13 and name   CD)  2.91 0.10 0.10 !K13NZ-CD
assign  (resid   13 and name   NZ)   (resid   13 and name   CD)  2.91 1.10 1.10 !K13NZ-CD
assign  (resid   27 and name    N)   (resid   28 and name   CD)  5.96 1.11 1.11 !E27N-K28CD
assign  (resid   28 and name    N)   (resid   28 and name   CD)  4.58 0.10 0.10 !K28N-CD
!violates calc1
!assign  (resid   28 and name   NZ)   (resid   28 and name   CD)  3.29 0.10 0.10 !K28NZ-CD
assign  (resid   28 and name   NZ)   (resid   28 and name   CD)  3.29 1.10 1.10 !K28NZ-CD
assign  (resid   31 and name   NZ)   (resid   31 and name   CD)  2.32 0.10 0.10 !K31NZ-CD
!violates calc1
!assign  (resid    4 and name   NZ)   (resid    4 and name   CD)  3.25 0.10 0.10 !K4NZ-CD
assign  (resid    4 and name   NZ)   (resid    4 and name   CD)  3.25 1.10 1.10 !K4NZ-CD
assign  (resid    5 and name    N)   (resid    4 and name   CD)  5.25 4.25 6.61 !L5N-K4CD
assign  (resid   50 and name    N)   (resid   50 and name   CD)  3.40 0.10 0.10 !K50N-CD
assign  (resid   50 and name   NZ)   (resid   50 and name   CD)  2.63 0.10 0.10 !K50NZ-CD
!violates calc4
!assign  (resid   13 and name    N)   (resid   12 and name  CD2)  3.43 0.10 0.10 !K13N-L12CD2
assign  (resid   13 and name    N)   (resid   12 and name  CD2)  3.43 1.10 1.10 !K13N-L12CD2
assign  (resid   12 and name    N)   (resid   12 and name  CD2)  4.50 0.17 0.17 !L12N-CD2
!intermolecular
!assign  (resid   45 and name    N)   (resid   12 and name  CD2)  4.41 0.10 0.10 !Y45N-L12CD2
assign  (resid    6 and name    N)   (resid    5 and name  CD2)  3.19 2.19 4.74 !I6N-L5CD2
assign  (resid   53 and name    N)   (resid    5 and name  CD2)  3.70 0.10 0.10 !T53N-L5CD2
assign  (resid   54 and name    N)   (resid    5 and name  CD2)  3.67 0.10 0.10 !V54N-L5CD2
!violates calc4
!assign  (resid   15 and name    N)   (resid    7 and name  CD1)  5.02 0.10 0.10 !E15N-L7CD1
assign  (resid   15 and name    N)   (resid    7 and name  CD1)  5.02 1.10 1.10 !E15N-L7CD1
!violates calc4
!assign  (resid    7 and name    N)   (resid    7 and name  CD1)  3.48 0.10 0.10 !L7N-CD1
assign  (resid    7 and name    N)   (resid    7 and name  CD1)  3.48 1.10 1.10 !L7N-CD1
assign  (resid   16 and name    N)   (resid    7 and name  CD1)  4.31 0.10 0.10 !T16N-L7CD1
!violates calc4
!assign  (resid    7 and name    N)   (resid    7 and name  CD2)  3.53 0.12 0.12 !L7N-CD2
assign  (resid    7 and name    N)   (resid    7 and name  CD2)  3.53 1.12 1.12 !L7N-CD2
assign  (resid    2 and name    N)   (resid    2 and name   CD)  5.18 0.82 0.82 !Q2N-CD
!violates calc4
!assign  (resid    2 and name  NE2)   (resid    2 and name   CD)  1.75 0.10 0.10 !Q2NE2-CD
assign  (resid    2 and name  NE2)   (resid    2 and name   CD)  1.75 0.75 1.10 !Q2NE2-CD
assign  (resid   18 and name    N)   (resid    2 and name   CD)  6.62 5.62 7.17 !T18N-Q2CD
assign  (resid   43 and name    N)   (resid   43 and name  CD1)  3.70 0.39 0.39 !W43N-CD1
assign  (resid   43 and name  NE1)   (resid   43 and name  CD1)  1.46 0.10 0.10 !W43NE1-CD1
assign  (resid   31 and name   NZ)   (resid   43 and name  CD2)  5.28 1.38 1.38 !K31NZ-W43CD2
assign  (resid   43 and name    N)   (resid   43 and name  CD2)  5.02 3.05 3.05 !W43N-CD2
assign  (resid   43 and name  NE1)   (resid   43 and name  CD2)  2.26 0.10 0.10 !W43NE1-CD2
assign  (resid   40 and name    N)   (resid   10 and name   CE)  5.48 1.21 1.21 !D40N-K10CE
assign  (resid   10 and name    N)   (resid   10 and name   CE)  4.66 0.43 0.43 !K10N-CE
assign  (resid   10 and name   NZ)   (resid   10 and name   CE)  1.58 0.10 0.10 !K10NZ-CE
assign  (resid    9 and name    N)   (resid   13 and name   CE)  3.65 0.38 0.38 !G9N-K13CE
assign  (resid   10 and name    N)   (resid   13 and name   CE)  4.19 0.67 0.67 !K10N-K13CE
assign  (resid   13 and name   NZ)   (resid   13 and name   CE)  1.57 0.10 0.10 !K13NZ-CE
assign  (resid   11 and name    N)   (resid   13 and name   CE)  4.36 0.67 0.67 !T11N-K13CE
assign  (resid   27 and name    N)   (resid   28 and name   CE)  6.61 5.61 5.86 !E27N-K28CE
assign  (resid   28 and name    N)   (resid   28 and name   CE)  5.95 2.09 2.09 !K28N-CE
assign  (resid   28 and name   NZ)   (resid   28 and name   CE)  1.87 0.10 0.10 !K28NZ-CE
!violates calc4
!assign  (resid   31 and name   NZ)   (resid   31 and name   CE)  1.90 0.10 0.10 !K31NZ-CE
assign  (resid   31 and name   NZ)   (resid   31 and name   CE)  1.90 0.90 1.10 !K31NZ-CE
!violates calc1
!assign  (resid   50 and name   NZ)   (resid   50 and name   CE)  2.20 0.10 0.10 !K50NZ-CE
assign  (resid   50 and name   NZ)   (resid   50 and name   CE)  2.20 1.10 1.10 !K50NZ-CE
!intermolecular
!assign  (resid   28 and name    N)   (resid    1 and name   CE)  3.34 0.10 0.10 !K28N-M1CE
!intermolecular
!assign  (resid   31 and name    N)   (resid    1 and name   CE)  4.32 0.10 0.10 !K31N-M1CE
assign  (resid    2 and name    N)   (resid    1 and name   CE)  4.06 3.06 6.00 !Q2N-M1CE
assign  (resid   31 and name    N)   (resid   43 and name  CZ2)  4.49 0.25 0.25 !K31N-W43CZ2
assign  (resid   43 and name  NE1)   (resid   43 and name  CZ2)  2.52 0.17 0.17 !W43NE1-CZ2
assign  (resid   31 and name    N)   (resid   43 and name  CZ3)  4.53 0.10 0.10 !K31N-W43CZ3
assign  (resid   44 and name    N)   (resid   43 and name  CZ3)  6.04 0.10 0.10 !T44N-W43CZ3
assign  (resid   54 and name    N)   (resid   43 and name  CZ3)  4.55 0.10 0.10 !V54N-W43CZ3
assign  (resid   43 and name  NE1)   (resid   43 and name  CZ3)  4.10 0.10 0.10 !W43NE1-CZ3
assign  (resid   31 and name   NZ)   (resid   43 and name  CZ3)  6.38 0.10 0.10 !K31NZ-W43CZ3
assign  (resid   53 and name    N)   (resid   43 and name  CZ3)  4.90 3.90 6.38 !T53N-W43CZ3
assign  (resid   43 and name    N)   (resid   43 and name  CZ3)  6.02 0.10 0.10 !W43N-CZ3
assign  (resid   36 and name    N)   (resid   36 and name   CG)  2.56 0.10 0.10 !D36N-CG
!violates calc4
!assign  (resid   40 and name    N)   (resid   40 and name   CG)  4.51 0.32 0.32 !D40N-CG
assign  (resid   40 and name    N)   (resid   40 and name   CG)  4.51 1.32 1.32 !D40N-CG
assign  (resid   41 and name    N)   (resid   40 and name   CG)  4.23 0.15 0.15 !G41N-D40CG
assign  (resid   10 and name   NZ)   (resid   40 and name   CG)  5.99 4.99 4.99 !K10NZ-D40CG
assign  (resid   39 and name    N)   (resid   40 and name   CG)  6.60 0.16 0.16 !V39N-D40CG
assign  (resid   48 and name    N)   (resid   46 and name   CG)  3.42 0.10 0.10 !A48N-D46CG
assign  (resid   46 and name    N)   (resid   46 and name   CG)  3.53 0.19 0.19 !D46N-CG
assign  (resid   47 and name    N)   (resid   46 and name   CG)  3.24 0.10 0.10 !D47N-D46CG
assign  (resid   49 and name    N)   (resid   46 and name   CG)  3.67 0.10 0.10 !T49N-D46CG
assign  (resid   47 and name    N)   (resid   47 and name   CG)  3.76 0.51 0.51 !D47N-CG
!intermolecular
!assign  (resid   12 and name    N)   (resid   47 and name   CG)  6.65 5.64 5.64 !L12N-D47CG
assign  (resid   15 and name    N)   (resid   15 and name   CG)  2.49 1.49 6.12 !E15N-CG
!violates calc1
!assign  (resid   16 and name    N)   (resid   15 and name   CG)  3.47 0.10 0.10 !T16N-E15CG
assign  (resid   16 and name    N)   (resid   15 and name   CG)  3.47 1.10 1.10 !T16N-E15CG
assign  (resid   56 and name    N)   (resid   56 and name   CG)  2.48 0.25 0.25 !E56N-CG
assign  (resid   41 and name    N)   (resid   56 and name   CG)  5.41 1.40 1.40 !G41N-E56CG
assign  (resid    9 and name    N)   (resid   56 and name   CG)  5.07 1.34 1.34 !G9N-E56CG
assign  (resid   10 and name    N)   (resid   56 and name   CG)  3.86 0.16 0.16 !K10N-E56CG
assign  (resid   55 and name    N)   (resid   56 and name   CG)  6.02 4.84 4.84 !T55N-E56CG
assign  (resid   34 and name    N)   (resid   30 and name   CG)  5.86 1.46 1.46 !A34N-F30CG
assign  (resid   27 and name    N)   (resid   30 and name   CG)  4.82 0.34 0.34 !E27N-F30CG
assign  (resid   30 and name    N)   (resid   30 and name   CG)  2.99 0.10 0.10 !F30N-CG
assign  (resid   31 and name    N)   (resid   30 and name   CG)  4.42 0.10 0.10 !K31N-F30CG
assign  (resid    5 and name    N)   (resid   30 and name   CG)  5.68 0.62 0.62 !L5N-F30CG
assign  (resid   52 and name    N)   (resid   52 and name   CG)  2.71 0.14 0.14 !F52N-CG
assign  (resid   46 and name    N)   (resid   52 and name   CG)  5.25 1.11 1.11 !D46N-F52CG
assign  (resid    4 and name    N)   (resid   52 and name   CG)  6.05 1.49 1.49 !K4N-F52CG
assign  (resid   45 and name    N)   (resid   52 and name   CG)  5.72 1.15 1.15 !Y45N-F52CG
!violates calc1
!assign  (resid   53 and name    N)   (resid    6 and name  CG1)  3.04 0.10 0.10 !T53N-I6CG1
!violates calc2 removed
!assign  (resid   53 and name    N)   (resid    6 and name  CG1)  3.04 1.10 1.10 !T53N-I6CG1
assign  (resid    6 and name    N)   (resid    6 and name  CG2)  3.97 0.30 0.30 !I6N-CG2
assign  (resid    7 and name    N)   (resid    6 and name  CG2)  3.54 0.10 0.10 !L7N-I6CG2
assign  (resid   56 and name    N)   (resid   10 and name   CG)  6.40 0.12 0.12 !E56N-K10CG
!violates calc4
!assign  (resid   10 and name    N)   (resid   10 and name   CG)  3.45 0.10 0.10 !K10N-CG
assign  (resid   10 and name    N)   (resid   10 and name   CG)  3.45 1.10 1.10 !K10N-CG
!violates calc1
!assign  (resid   10 and name   NZ)   (resid   10 and name   CG)  5.95 0.12 0.12 !K10NZ-CG
!violates calc2 removed
!assign  (resid   10 and name   NZ)   (resid   10 and name   CG)  5.95 1.12 1.12 !K10NZ-CG
!violates calc4
!assign  (resid   12 and name    N)   (resid   10 and name   CG)  5.88 0.12 0.12 !L12N-K10CG
assign  (resid   12 and name    N)   (resid   10 and name   CG)  5.88 1.12 1.12 !L12N-K10CG
assign  (resid   11 and name    N)   (resid   10 and name   CG)  4.72 3.72 4.74 !T11N-K10CG
assign  (resid   14 and name    N)   (resid   13 and name   CG)  4.60 0.10 0.10 !G14N-K13CG
assign  (resid   13 and name    N)   (resid   13 and name   CG)  3.22 0.10 0.10 !K13N-CG
assign  (resid    9 and name    N)   (resid   13 and name   CG)  4.92 2.73 2.73 !G9N-K13CG
!violates calc4
!assign  (resid   13 and name   NZ)   (resid   13 and name   CG)  3.61 0.10 0.10 !K13NZ-CG
assign  (resid   13 and name   NZ)   (resid   13 and name   CG)  3.61 1.10 1.10 !K13NZ-CG
assign  (resid   28 and name    N)   (resid   28 and name   CG)  3.14 0.28 0.28 !K28N-CG
assign  (resid   28 and name   NZ)   (resid   28 and name   CG)  4.19 0.28 0.28 !K28NZ-CG
assign  (resid   29 and name    N)   (resid   28 and name   CG)  4.41 0.30 0.30 !V29N-K28CG
assign  (resid   31 and name    N)   (resid   31 and name   CG)  2.92 1.92 7.39 !K31N-CG
assign  (resid   31 and name   NZ)   (resid   31 and name   CG)  3.76 0.10 0.10 !K31NZ-CG
assign  (resid   43 and name  NE1)   (resid   31 and name   CG)  4.40 0.10 0.10 !W43NE1-K31CG
!violates calc1
!assign  (resid    4 and name    N)   (resid    4 and name   CG)  3.10 0.10 0.10 !K4N-CG
assign  (resid    4 and name    N)   (resid    4 and name   CG)  3.10 1.10 1.10 !K4N-CG
assign  (resid   50 and name    N)   (resid   50 and name   CG)  2.91 0.58 0.58 !K50N-CG
assign  (resid   49 and name    N)   (resid   50 and name   CG)  4.88 0.90 0.90 !T49N-K50CG
assign  (resid   51 and name    N)   (resid   50 and name   CG)  4.96 0.35 0.35 !T51N-K50CG
!violates calc1
!assign  (resid    5 and name    N)   (resid    5 and name   CG)  3.05 0.10 0.10 !L5N-CG
assign  (resid    5 and name    N)   (resid    5 and name   CG)  3.05 1.10 1.10 !L5N-CG
assign  (resid    1 and name    N)   (resid    1 and name   CG)  3.74 0.20 0.20 !M1N-CG
assign  (resid    2 and name    N)   (resid    1 and name   CG)  2.86 0.10 0.10 !Q2N-M1CG
!violates calc4
!assign  (resid   35 and name  ND2)   (resid   35 and name   CG)  1.88 0.10 0.10 !N35ND2-CG
assign  (resid   35 and name  ND2)   (resid   35 and name   CG)  1.88 0.88 1.10 !N35ND2-CG
assign  (resid   36 and name    N)   (resid   37 and name   CG)  5.05 2.33 2.33 !D36N-N37CG
!violates calc4
!assign  (resid   37 and name    N)   (resid   37 and name   CG)  2.40 0.21 0.21 !N37N-CG
assign  (resid   37 and name    N)   (resid   37 and name   CG)  2.40 1.21 1.21 !N37N-CG
assign  (resid   37 and name  ND2)   (resid   37 and name   CG)  1.51 0.10 0.10 !N37ND2-CG
assign  (resid   39 and name    N)   (resid   37 and name   CG)  6.32 4.88 4.88 !V39N-N37CG
assign  (resid    8 and name  ND2)   (resid    8 and name   CG)  1.43 0.10 0.10 !N8ND2-CG
!intermolecular
!assign  (resid   48 and name    N)   (resid   11 and name  CG2)  4.65 0.41 0.41 !A48N-T11CG2
!intermolecular
!assign  (resid   47 and name    N)   (resid   11 and name  CG2)  5.30 4.30 6.41 !D47N-T11CG2
assign  (resid   12 and name    N)   (resid   11 and name  CG2)  4.94 0.21 0.21 !L12N-T11CG2
assign  (resid   11 and name    N)   (resid   11 and name  CG2)  3.29 0.28 0.28 !T11N-CG2
assign  (resid   15 and name    N)   (resid   16 and name  CG2)  6.35 0.96 0.96 !E15N-T16CG2
!violates calc4
!assign  (resid    5 and name    N)   (resid   16 and name  CG2)  5.18 0.26 0.26 !L5N-T16CG2
assign  (resid    5 and name    N)   (resid   16 and name  CG2)  5.18 1.26 1.26 !L5N-T16CG2
assign  (resid   16 and name    N)   (resid   16 and name  CG2)  3.53 0.23 0.23 !T16N-CG2
assign  (resid   17 and name    N)   (resid   16 and name  CG2)  3.90 0.10 0.10 !T17N-T16CG2
assign  (resid   19 and name    N)   (resid   17 and name  CG2)  5.45 0.10 0.10 !E19N-T17CG2
assign  (resid    4 and name   NZ)   (resid   17 and name  CG2)  6.12 0.10 0.10 !K4NZ-T17CG2
assign  (resid    2 and name  NE2)   (resid   17 and name  CG2)  4.96 0.10 0.10 !Q2NE2-T17CG2
assign  (resid    4 and name    N)   (resid   17 and name  CG2)  4.90 3.90 6.33 !K4N-T17CG2
assign  (resid    5 and name    N)   (resid   17 and name  CG2)  5.46 0.10 0.10 !L5N-T17CG2
!violates calc4
!assign  (resid   17 and name    N)   (resid   17 and name  CG2)  3.17 0.10 0.10 !T17N-CG2
assign  (resid   17 and name    N)   (resid   17 and name  CG2)  3.17 1.10 1.10 !T17N-CG2
assign  (resid   19 and name    N)   (resid   18 and name  CG2)  3.63 0.10 0.10 !E19N-T18CG2
assign  (resid    5 and name    N)   (resid   18 and name  CG2)  6.15 1.88 1.88 !L5N-T18CG2
assign  (resid   18 and name    N)   (resid   18 and name  CG2)  3.30 0.10 0.10 !T18N-CG2
assign  (resid    3 and name    N)   (resid   18 and name  CG2)  4.77 0.35 0.35 !Y3N-T18CG2
assign  (resid   22 and name    N)   (resid   25 and name  CG2)  4.41 3.41 5.78 !D22N-T25CG2
assign  (resid   28 and name   NZ)   (resid   25 and name  CG2)  6.07 0.10 0.10 !K28NZ-T25CG2
assign  (resid   25 and name    N)   (resid   25 and name  CG2)  3.51 0.10 0.10 !T25N-CG2
assign  (resid   21 and name    N)   (resid   25 and name  CG2)  4.38 0.10 0.10 !V21N-T25CG2
!intermolecular
!assign  (resid   15 and name    N)   (resid   44 and name  CG2)  4.22 0.24 0.24 !E15N-T44CG2
!intermolecular
!assign  (resid   14 and name    N)   (resid   44 and name  CG2)  5.23 0.98 0.98 !G14N-T44CG2
!intermolecular
!assign  (resid   16 and name    N)   (resid   44 and name  CG2)  5.26 1.14 1.14 !T16N-T44CG2
assign  (resid   44 and name    N)   (resid   44 and name  CG2)  3.01 0.96 0.96 !T44N-CG2
assign  (resid   53 and name    N)   (resid   44 and name  CG2)  3.66 0.10 0.10 !T53N-T44CG2
assign  (resid   43 and name    N)   (resid   44 and name  CG2)  5.42 4.42 6.68 !W43N-T44CG2
assign  (resid   48 and name    N)   (resid   49 and name  CG2)  5.29 0.38 0.38 !A48N-T49CG2
assign  (resid   50 and name    N)   (resid   49 and name  CG2)  5.55 0.64 0.64 !K50N-T49CG2
assign  (resid   49 and name    N)   (resid   49 and name  CG2)  3.38 0.10 0.10 !T49N-CG2
assign  (resid   51 and name    N)   (resid   49 and name  CG2)  7.41 6.41 6.75 !T51N-T49CG2
assign  (resid   52 and name    N)   (resid   51 and name  CG2)  3.37 0.10 0.10 !F52N-T51CG2
assign  (resid    4 and name    N)   (resid   51 and name  CG2)  5.58 0.51 0.51 !K4N-T51CG2
assign  (resid    4 and name   NZ)   (resid   51 and name  CG2)  6.40 1.66 1.66 !K4NZ-T51CG2
assign  (resid   51 and name    N)   (resid   51 and name  CG2)  4.02 0.12 0.12 !T51N-CG2
!violates calc1
!assign  (resid    6 and name    N)   (resid   53 and name  CG2)  3.39 0.10 0.10 !I6N-T53CG2
assign  (resid    6 and name    N)   (resid   53 and name  CG2)  3.39 1.10 1.10 !I6N-T53CG2
assign  (resid   53 and name    N)   (resid   53 and name  CG2)  3.12 0.12 0.12 !T53N-CG2
!violates calc6
!assign  (resid   56 and name    N)   (resid   55 and name  CG2)  3.47 0.10 0.10 !E56N-T55CG2
assign  (resid   56 and name    N)   (resid   55 and name  CG2)  3.47 1.10 1.10 !E56N-T55CG2
assign  (resid    8 and name  ND2)   (resid   55 and name  CG2)  4.39 3.39 7.09 !N8ND2-T55CG2
assign  (resid   55 and name    N)   (resid   55 and name  CG2)  3.46 0.10 0.10 !T55N-CG2
assign  (resid   43 and name    N)   (resid   55 and name  CG2)  5.72 0.10 0.10 !W43N-T55CG2
assign  (resid   30 and name    N)   (resid   29 and name  CG1)  3.57 0.24 0.24 !F30N-V29CG1
assign  (resid   29 and name    N)   (resid   29 and name  CG2)  2.75 0.50 0.50 !V29N-CG2
!violates calc4
!assign  (resid   40 and name    N)   (resid   39 and name  CG1)  3.81 0.10 0.10 !D40N-V39CG1
assign  (resid   40 and name    N)   (resid   39 and name  CG1)  3.81 1.10 1.10 !D40N-V39CG1
assign  (resid    9 and name    N)   (resid   39 and name  CG1)  5.67 0.10 0.10 !G9N-V39CG1
assign  (resid   39 and name    N)   (resid   39 and name  CG1)  3.11 0.34 0.34 !V39N-CG1
assign  (resid   55 and name    N)   (resid   54 and name  CG1)  4.20 0.10 0.10 !T55N-V54CG1
assign  (resid   54 and name    N)   (resid   54 and name  CG1)  3.18 2.18 6.39 !V54N-CG1
!violates calc1
!assign  (resid   43 and name    N)   (resid   54 and name  CG1)  4.90 0.10 0.10 !W43N-V54CG1
!violates again calc4 removed
!assign  (resid   43 and name    N)   (resid   54 and name  CG1)  4.90 1.10 1.10 !W43N-V54CG1
assign  (resid   41 and name    N)   (resid   54 and name  CG2)  2.93 0.10 0.10 !G41N-V54CG2
assign  (resid   34 and name    N)   (resid   33 and name   CG)  3.35 0.10 0.10 !A34N-Y33CG
assign  (resid   37 and name    N)   (resid   33 and name   CG)  5.27 0.11 0.11 !N37N-Y33CG
!violates calc6
!assign  (resid   37 and name  ND2)   (resid   33 and name   CG)  3.86 0.10 0.10 !N37ND2-Y33CG
assign  (resid   37 and name  ND2)   (resid   33 and name   CG)  3.86 1.10 1.10 !N37ND2-Y33CG
assign  (resid   33 and name    N)   (resid   33 and name   CG)  3.47 0.10 0.10 !Y33N-CG
assign  (resid    4 and name    N)   (resid    3 and name   CG)  4.15 0.27 0.27 !K4N-Y3CG
assign  (resid    1 and name    N)   (resid    3 and name   CG)  6.34 3.28 3.28 !M1N-Y3CG
assign  (resid   18 and name    N)   (resid    3 and name   CG)  5.56 1.21 1.21 !T18N-Y3CG
assign  (resid    3 and name    N)   (resid    3 and name   CG)  3.07 0.34 0.34 !Y3N-CG
assign  (resid   50 and name   NZ)   (resid    3 and name   CG)  6.69 5.69 6.95 !K50NZ-Y3CG
assign  (resid    2 and name    N)   (resid    3 and name   CG)  4.65 0.48 0.48 !Q2N-Y3CG
assign  (resid   51 and name    N)   (resid    3 and name   CG)  6.08 2.37 2.37 !T51N-Y3CG
assign  (resid   46 and name    N)   (resid   45 and name   CG)  3.27 0.10 0.10 !D46N-Y45CG
assign  (resid   47 and name    N)   (resid   45 and name   CG)  4.19 0.10 0.10 !D47N-Y45CG
assign  (resid   52 and name    N)   (resid   45 and name   CG)  4.93 0.52 0.52 !F52N-Y45CG
assign  (resid   51 and name    N)   (resid   45 and name   CG)  5.08 0.55 0.55 !T51N-Y45CG
assign  (resid   45 and name    N)   (resid   45 and name   CG)  3.67 0.29 0.29 !Y45N-CG
!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

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

assign (resid   1 and name  C) (resid   2 and name  N) 
       (resid   2 and name CA) (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 (resid   2 and name  C) (resid   3 and name  N) 
       (resid   3 and name CA) (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 (resid   3 and name  C) (resid   4 and name  N) 
       (resid   4 and name CA) (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 (resid   4 and name  C) (resid   5 and name  N) 
       (resid   5 and name CA) (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 (resid   5 and name  C) (resid   6 and name  N) 
       (resid   6 and name CA) (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 (resid   6 and name  C) (resid   7 and name  N) 
       (resid   7 and name CA) (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 (resid   7 and name  C) (resid   8 and name  N) 
       (resid   8 and name CA) (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 (resid  10 and name  C) (resid  11 and name  N) 
       (resid  11 and name CA) (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 (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (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 (resid  12 and name  C) (resid  13 and name  N) 
       (resid  13 and name CA) (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 (resid  13 and name  C) (resid  14 and name  N) 
       (resid  14 and name CA) (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 (resid  14 and name  C) (resid  15 and name  N) 
       (resid  15 and name CA) (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 (resid  15 and name  C) (resid  16 and name  N) 
       (resid  16 and name CA) (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 (resid  16 and name  C) (resid  17 and name  N) 
       (resid  17 and name CA) (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 (resid  17 and name  C) (resid  18 and name  N) 
       (resid  18 and name CA) (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 (resid  18 and name  C) (resid  19 and name  N) 
       (resid  19 and name CA) (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 (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (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 (resid  22 and name  C) (resid  23 and name  N) 
       (resid  23 and name CA) (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 (resid  23 and name  C) (resid  24 and name  N) 
       (resid  24 and name CA) (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 (resid  24 and name  C) (resid  25 and name  N) 
       (resid  25 and name CA) (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 (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (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 (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (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 (resid  27 and name  C) (resid  28 and name  N) 
       (resid  28 and name CA) (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 (resid  28 and name  C) (resid  29 and name  N) 
       (resid  29 and name CA) (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 (resid  29 and name  C) (resid  30 and name  N) 
       (resid  30 and name CA) (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 (resid  30 and name  C) (resid  31 and name  N) 
       (resid  31 and name CA) (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 (resid  31 and name  C) (resid  32 and name  N) 
       (resid  32 and name CA) (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 (resid  32 and name  C) (resid  33 and name  N) 
       (resid  33 and name CA) (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 (resid  33 and name  C) (resid  34 and name  N) 
       (resid  34 and name CA) (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 (resid  34 and name  C) (resid  35 and name  N) 
       (resid  35 and name CA) (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 (resid  35 and name  C) (resid  36 and name  N) 
       (resid  36 and name CA) (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 (resid  36 and name  C) (resid  37 and name  N) 
       (resid  37 and name CA) (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 (resid  37 and name  C) (resid  38 and name  N) 
!       (resid  38 and name CA) (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 (resid  38 and name  C) (resid  39 and name  N) 
       (resid  39 and name CA) (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 (resid  39 and name  C) (resid  40 and name  N) 
       (resid  40 and name CA) (resid  40 and name  C) 1.0   -98.00    27.00 2

!061107 insert G41 -180?51
!8 out of 10 hits, beware 
!assign (resid  40 and name  C) (resid  41 and name  N) 
!       (resid  41 and name CA) (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 (resid  41 and name  C) (resid  42 and name  N) 
       (resid  42 and name CA) (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 (resid  42 and name  C) (resid  43 and name  N) 
       (resid  43 and name CA) (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 (resid  43 and name  C) (resid  44 and name  N) 
       (resid  44 and name CA) (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 (resid  44 and name  C) (resid  45 and name  N) 
       (resid  45 and name CA) (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 (resid  45 and name  C) (resid  46 and name  N) 
       (resid  46 and name CA) (resid  46 and name  C) 1.0  -105.00    18.00 2

!061107 insert D47 -88?22
!warning, 7 out of 10
!assign (resid  46 and name  C) (resid  47 and name  N) 
!       (resid  47 and name CA) (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 (resid  47 and name  C) (resid  48 and name  N) 
       (resid  48 and name CA) (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 (resid  48 and name  C) (resid  49 and name  N) 
       (resid  49 and name CA) (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 (resid  50 and name  C) (resid  51 and name  N) 
       (resid  51 and name CA) (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 (resid  51 and name  C) (resid  52 and name  N) 
       (resid  52 and name CA) (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 (resid  52 and name  C) (resid  53 and name  N) 
       (resid  53 and name CA) (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 (resid  53 and name  C) (resid  54 and name  N) 
       (resid  54 and name CA) (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 (resid  54 and name  C) (resid  55 and name  N) 
       (resid  55 and name CA) (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 (resid   2 and name  N) (resid   2 and name CA) 
       (resid   2 and name  C) (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 (resid   3 and name  N) (resid   3 and name CA) 
       (resid   3 and name  C) (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 (resid   4 and name  N) (resid   4 and name CA) 
       (resid   4 and name  C) (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 (resid   5 and name  N) (resid   5 and name CA) 
       (resid   5 and name  C) (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 (resid   6 and name  N) (resid   6 and name CA) 
       (resid   6 and name  C) (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 (resid   7 and name  N) (resid   7 and name CA) 
       (resid   7 and name  C) (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 (resid   8 and name  N) (resid   8 and name CA) 
       (resid   8 and name  C) (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 (resid  11 and name  N) (resid  11 and name CA) 
       (resid  11 and name  C) (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 (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (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 (resid  13 and name  N) (resid  13 and name CA) 
       (resid  13 and name  C) (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 (resid  14 and name  N) (resid  14 and name CA) 
       (resid  14 and name  C) (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 (resid  15 and name  N) (resid  15 and name CA) 
       (resid  15 and name  C) (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 (resid  16 and name  N) (resid  16 and name CA) 
       (resid  16 and name  C) (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 (resid  17 and name  N) (resid  17 and name CA) 
       (resid  17 and name  C) (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 (resid  18 and name  N) (resid  18 and name CA) 
       (resid  18 and name  C) (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 (resid  19 and name  N) (resid  19 and name CA) 
       (resid  19 and name  C) (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 (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (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 (resid  23 and name  N) (resid  23 and name CA) 
       (resid  23 and name  C) (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 (resid  24 and name  N) (resid  24 and name CA) 
       (resid  24 and name  C) (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 (resid  25 and name  N) (resid  25 and name CA) 
       (resid  25 and name  C) (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 (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (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 (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (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 (resid  28 and name  N) (resid  28 and name CA) 
       (resid  28 and name  C) (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 (resid  29 and name  N) (resid  29 and name CA) 
       (resid  29 and name  C) (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 (resid  30 and name  N) (resid  30 and name CA) 
       (resid  30 and name  C) (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 (resid  31 and name  N) (resid  31 and name CA) 
       (resid  31 and name  C) (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 (resid  32 and name  N) (resid  32 and name CA) 
       (resid  32 and name  C) (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 (resid  33 and name  N) (resid  33 and name CA) 
       (resid  33 and name  C) (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 (resid  34 and name  N) (resid  34 and name CA) 
       (resid  34 and name  C) (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 (resid  35 and name  N) (resid  35 and name CA) 
       (resid  35 and name  C) (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 (resid  36 and name  N) (resid  36 and name CA) 
       (resid  36 and name  C) (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 (resid  37 and name  N) (resid  37 and name CA) 
       (resid  37 and name  C) (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 (resid  38 and name  N) (resid  38 and name CA) 
!       (resid  38 and name  C) (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 (resid  39 and name  N) (resid  39 and name CA) 
       (resid  39 and name  C) (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 (resid  40 and name  N) (resid  40 and name CA) 
       (resid  40 and name  C) (resid  41 and name  N) 1.0   139.00    28.00 2

!061107 insert G41 -173?14
!8 out of 10 hits, beware 
!assign (resid  41 and name  N) (resid  41 and name CA) 
!       (resid  41 and name  C) (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 (resid  42 and name  N) (resid  42 and name CA) 
       (resid  42 and name  C) (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 (resid  43 and name  N) (resid  43 and name CA) 
       (resid  43 and name  C) (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 (resid  44 and name  N) (resid  44 and name CA) 
       (resid  44 and name  C) (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 (resid  45 and name  N) (resid  45 and name CA) 
       (resid  45 and name  C) (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 (resid  46 and name  N) (resid  46 and name CA) 
       (resid  46 and name  C) (resid  47 and name  N) 1.0   140.00    26.00 2

!061107 insert D47 144?42
!8 out of 10
!assign (resid  47 and name  N) (resid  47 and name CA) 
!       (resid  47 and name  C) (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 (resid  48 and name  N) (resid  48 and name CA) 
       (resid  48 and name  C) (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 (resid  49 and name  N) (resid  49 and name CA) 
       (resid  49 and name  C) (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 (resid  51 and name  N) (resid  51 and name CA) 
       (resid  51 and name  C) (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 (resid  52 and name  N) (resid  52 and name CA) 
       (resid  52 and name  C) (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 (resid  53 and name  N) (resid  53 and name CA) 
       (resid  53 and name  C) (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 (resid  54 and name  N) (resid  54 and name CA) 
       (resid  54 and name  C) (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 (resid  55 and name  N) (resid  55 and name CA) 
       (resid  55 and name  C) (resid  56 and name  N) 1.0   128.00    12.00 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  26.874 -11.989  -2.493
    2    H2   MET   1           HT2      MET   1  25.978 -12.370  -3.886
    3    H3   MET   1           HT3      MET   1  25.309 -11.366  -2.690
    4    HA   MET   1           HA       MET   1  26.875  -9.644  -3.145
    5    HB2  MET   1           HB2      MET   1  28.844 -10.015  -4.257
    6    HB3  MET   1           HB1      MET   1  28.482 -11.720  -4.025
    7    HG2  MET   1           HG2      MET   1  27.821 -10.059  -6.481
    8    HG3  MET   1           HG1      MET   1  29.043 -11.317  -6.363
    9    HE1  MET   1           HE1      MET   1  27.963 -13.816  -5.009
   10    HE2  MET   1           HE2      MET   1  28.799 -13.610  -6.545
   11    HE3  MET   1           HE3      MET   1  27.336 -14.582  -6.473
   12    H    GLN   2           HN       GLN   2  26.830  -8.320  -5.309
   13    HA   GLN   2           HA       GLN   2  24.328  -8.964  -6.779
   14    HB2  GLN   2           HB2      GLN   2  25.278  -6.259  -5.803
   15    HB3  GLN   2           HB1      GLN   2  23.885  -6.527  -6.850
   16    HG2  GLN   2           HG2      GLN   2  23.100  -8.165  -4.968
   17    HG3  GLN   2           HG1      GLN   2  24.252  -7.295  -3.960
   18   HE21  GLN   2          HE21      GLN   2  23.895  -4.858  -3.780
   19   HE22  GLN   2          HE22      GLN   2  22.316  -4.258  -3.953
   20    H    TYR   3           HN       TYR   3  24.224  -8.400  -8.915
   21    HA   TYR   3           HA       TYR   3  26.793  -7.665 -10.214
   22    HB2  TYR   3           HB2      TYR   3  24.504  -9.289 -11.348
   23    HB3  TYR   3           HB1      TYR   3  26.043  -8.945 -12.136
   24    HD1  TYR   3           HD1      TYR   3  28.198  -9.697 -10.900
   25    HD2  TYR   3           HD2      TYR   3  24.278 -11.199  -9.994
   26    HE1  TYR   3           HE1      TYR   3  29.208 -11.694  -9.830
   27    HE2  TYR   3           HE2      TYR   3  25.290 -13.191  -8.919
   28    HH   TYR   3           HH       TYR   3  27.386 -14.452  -9.000
   29    H    LYS   4           HN       LYS   4  26.743  -6.089 -11.774
   30    HA   LYS   4           HA       LYS   4  24.153  -4.671 -12.159
   31    HB2  LYS   4           HB2      LYS   4  25.902  -3.470 -10.768
   32    HB3  LYS   4           HB1      LYS   4  26.902  -3.414 -12.218
   33    HG2  LYS   4           HG2      LYS   4  25.070  -2.234 -13.412
   34    HG3  LYS   4           HG1      LYS   4  24.120  -2.235 -11.925
   35    HD2  LYS   4           HD2      LYS   4  25.771  -0.877 -10.786
   36    HD3  LYS   4           HD1      LYS   4  26.889  -1.013 -12.143
   37    HE2  LYS   4           HE2      LYS   4  25.916   1.108 -12.457
   38    HE3  LYS   4           HE1      LYS   4  24.979   0.079 -13.538
   39    HZ1  LYS   4           HZ1      LYS   4  23.652   1.589 -12.080
   40    HZ2  LYS   4           HZ2      LYS   4  24.169   0.669 -10.748
   41    HZ3  LYS   4           HZ3      LYS   4  23.234  -0.052 -11.970
   42    H    LEU   5           HN       LEU   5  23.467  -4.548 -14.175
   43    HA   LEU   5           HA       LEU   5  25.333  -5.148 -16.385
   44    HB2  LEU   5           HB2      LEU   5  23.599  -6.765 -16.322
   45    HB3  LEU   5           HB1      LEU   5  22.371  -5.555 -16.022
   46    HG   LEU   5           HG       LEU   5  22.429  -6.537 -18.365
   47   HD11  LEU   5          HD11      LEU   5  21.721  -4.004 -17.569
   48   HD12  LEU   5          HD12      LEU   5  21.443  -4.674 -19.169
   49   HD13  LEU   5          HD13      LEU   5  22.848  -3.663 -18.875
   50   HD21  LEU   5          HD21      LEU   5  24.155  -6.110 -19.853
   51   HD22  LEU   5          HD22      LEU   5  25.056  -6.323 -18.359
   52   HD23  LEU   5          HD23      LEU   5  24.728  -4.708 -18.968
   53    H    ILE   6           HN       ILE   6  25.836  -3.538 -17.748
   54    HA   ILE   6           HA       ILE   6  24.384  -0.978 -17.512
   55    HB   ILE   6           HB       ILE   6  26.955  -1.529 -19.001
   56   HG12  ILE   6          HG12      ILE   6  27.352  -2.122 -16.686
   57   HG13  ILE   6          HG11      ILE   6  28.055  -0.530 -16.964
   58   HG21  ILE   6          HG21      ILE   6  25.680   0.999 -17.930
   59   HG22  ILE   6          HG22      ILE   6  25.767   0.521 -19.624
   60   HG23  ILE   6          HG23      ILE   6  27.244   0.910 -18.742
   61   HD11  ILE   6          HD11      ILE   6  25.521  -1.234 -15.487
   62   HD12  ILE   6          HD12      ILE   6  25.773   0.389 -16.126
   63   HD13  ILE   6          HD13      ILE   6  26.887  -0.269 -14.933
   64    H    LEU   7           HN       LEU   7  23.173  -0.195 -19.082
   65    HA   LEU   7           HA       LEU   7  22.750  -1.848 -21.456
   66    HB2  LEU   7           HB2      LEU   7  21.258   0.385 -20.107
   67    HB3  LEU   7           HB1      LEU   7  20.915   0.019 -21.793
   68    HG   LEU   7           HG       LEU   7  20.657  -2.456 -20.938
   69   HD11  LEU   7          HD11      LEU   7  20.082  -2.738 -18.657
   70   HD12  LEU   7          HD12      LEU   7  19.952  -1.001 -18.384
   71   HD13  LEU   7          HD13      LEU   7  21.535  -1.741 -18.617
   72   HD21  LEU   7          HD21      LEU   7  18.726  -0.170 -20.527
   73   HD22  LEU   7          HD22      LEU   7  18.252  -1.837 -20.207
   74   HD23  LEU   7          HD23      LEU   7  18.760  -1.363 -21.826
   75    H    ASN   8           HN       ASN   8  24.113  -1.495 -23.044
   76    HA   ASN   8           HA       ASN   8  24.490   1.288 -23.992
   77    HB2  ASN   8           HB2      ASN   8  26.705   0.283 -24.939
   78    HB3  ASN   8           HB1      ASN   8  26.650   0.754 -23.243
   79   HD21  ASN   8          HD21      ASN   8  27.738  -1.701 -25.161
   80   HD22  ASN   8          HD22      ASN   8  27.607  -2.997 -24.073
   81    H    GLY   9           HN       GLY   9  22.649   0.926 -25.290
   82    HA2  GLY   9           HA2      GLY   9  22.998  -1.050 -27.469
   83    HA3  GLY   9           HA1      GLY   9  21.439  -0.530 -26.849
   84    H    LYS  10           HN       LYS  10  21.015  -0.081 -29.135
   85    HA   LYS  10           HA       LYS  10  22.436   1.950 -30.517
   86    HB2  LYS  10           HB2      LYS  10  19.547   1.270 -31.043
   87    HB3  LYS  10           HB1      LYS  10  20.793   1.761 -32.192
   88    HG2  LYS  10           HG2      LYS  10  22.027  -0.394 -31.533
   89    HG3  LYS  10           HG1      LYS  10  20.520  -0.889 -30.762
   90    HD2  LYS  10           HD2      LYS  10  19.343  -0.538 -32.936
   91    HD3  LYS  10           HD1      LYS  10  20.898  -0.176 -33.685
   92    HE2  LYS  10           HE2      LYS  10  21.713  -2.381 -33.300
   93    HE3  LYS  10           HE1      LYS  10  20.399  -2.751 -32.183
   94    HZ1  LYS  10           HZ1      LYS  10  19.204  -3.475 -33.880
   95    HZ2  LYS  10           HZ2      LYS  10  20.472  -3.121 -34.954
   96    HZ3  LYS  10           HZ3      LYS  10  19.285  -1.952 -34.620
   97    H    THR  11           HN       THR  11  19.244   2.087 -28.833
   98    HA   THR  11           HA       THR  11  19.729   4.977 -28.364
   99    HB   THR  11           HB       THR  11  17.283   5.341 -28.703
  100    HG1  THR  11           HG1      THR  11  17.483   2.627 -29.449
  101   HG21  THR  11          HG21      THR  11  18.945   4.239 -30.977
  102   HG22  THR  11          HG22      THR  11  18.726   5.928 -30.520
  103   HG23  THR  11          HG23      THR  11  17.386   5.024 -31.225
  104    H    LEU  12           HN       LEU  12  19.046   1.953 -27.065
  105    HA   LEU  12           HA       LEU  12  17.585   2.970 -24.737
  106    HB2  LEU  12           HB2      LEU  12  17.220   0.718 -26.127
  107    HB3  LEU  12           HB1      LEU  12  18.432   0.102 -25.012
  108    HG   LEU  12           HG       LEU  12  15.744   1.322 -24.329
  109   HD11  LEU  12          HD11      LEU  12  16.818  -1.336 -23.390
  110   HD12  LEU  12          HD12      LEU  12  16.120  -1.196 -25.003
  111   HD13  LEU  12          HD13      LEU  12  15.145  -0.816 -23.588
  112   HD21  LEU  12          HD21      LEU  12  16.525   0.731 -21.929
  113   HD22  LEU  12          HD22      LEU  12  17.170   2.202 -22.643
  114   HD23  LEU  12          HD23      LEU  12  18.150   0.740 -22.597
  115    H    LYS  13           HN       LYS  13  18.774   3.765 -23.077
  116    HA   LYS  13           HA       LYS  13  21.204   2.296 -22.241
  117    HB2  LYS  13           HB2      LYS  13  20.959   5.286 -22.662
  118    HB3  LYS  13           HB1      LYS  13  22.218   4.563 -21.669
  119    HG2  LYS  13           HG2      LYS  13  23.396   4.561 -23.648
  120    HG3  LYS  13           HG1      LYS  13  22.528   3.059 -23.922
  121    HD2  LYS  13           HD2      LYS  13  20.679   4.746 -24.916
  122    HD3  LYS  13           HD1      LYS  13  22.098   5.764 -25.155
  123    HE2  LYS  13           HE2      LYS  13  21.634   4.363 -27.144
  124    HE3  LYS  13           HE1      LYS  13  23.191   3.957 -26.422
  125    HZ1  LYS  13           HZ1      LYS  13  22.460   1.888 -26.292
  126    HZ2  LYS  13           HZ2      LYS  13  20.883   2.328 -26.744
  127    HZ3  LYS  13           HZ3      LYS  13  21.357   2.398 -25.116
  128    H    GLY  14           HN       GLY  14  21.547   2.168 -20.072
  129    HA2  GLY  14           HA2      GLY  14  20.476   3.768 -18.059
  130    HA3  GLY  14           HA1      GLY  14  19.318   2.472 -18.343
  131    H    GLU  15           HN       GLU  15  19.785   1.744 -16.147
  132    HA   GLU  15           HA       GLU  15  22.205   0.038 -16.015
  133    HB2  GLU  15           HB2      GLU  15  21.092   1.505 -13.617
  134    HB3  GLU  15           HB1      GLU  15  22.605   0.612 -13.742
  135    HG2  GLU  15           HG2      GLU  15  22.045   3.052 -15.430
  136    HG3  GLU  15           HG1      GLU  15  22.761   3.162 -13.828
  137    H    THR  16           HN       THR  16  21.948  -1.877 -14.801
  138    HA   THR  16           HA       THR  16  19.310  -2.458 -13.658
  139    HB   THR  16           HB       THR  16  20.428  -4.392 -15.676
  140    HG1  THR  16           HG1      THR  16  18.420  -2.571 -16.340
  141   HG21  THR  16          HG21      THR  16  17.561  -3.845 -14.929
  142   HG22  THR  16          HG22      THR  16  18.569  -4.949 -13.995
  143   HG23  THR  16          HG23      THR  16  18.236  -5.283 -15.693
  144    H    THR  17           HN       THR  17  19.536  -3.629 -11.834
  145    HA   THR  17           HA       THR  17  21.967  -5.294 -11.498
  146    HB   THR  17           HB       THR  17  20.800  -3.725  -9.203
  147    HG1  THR  17           HG1      THR  17  21.452  -2.003 -10.183
  148   HG21  THR  17          HG21      THR  17  23.674  -4.490  -9.684
  149   HG22  THR  17          HG22      THR  17  22.536  -5.666  -9.030
  150   HG23  THR  17          HG23      THR  17  22.857  -4.172  -8.156
  151    H    THR  18           HN       THR  18  21.748  -7.000  -9.940
  152    HA   THR  18           HA       THR  18  19.066  -7.673  -9.009
  153    HB   THR  18           HB       THR  18  19.335  -8.583 -11.375
  154    HG1  THR  18           HG1      THR  18  18.103 -10.182 -10.756
  155   HG21  THR  18          HG21      THR  18  21.806  -9.221 -10.856
  156   HG22  THR  18          HG22      THR  18  20.833 -10.339 -11.813
  157   HG23  THR  18          HG23      THR  18  21.110 -10.654 -10.101
  158    H    GLU  19           HN       GLU  19  19.068  -9.310  -7.406
  159    HA   GLU  19           HA       GLU  19  21.692  -9.662  -6.087
  160    HB2  GLU  19           HB2      GLU  19  19.453  -8.624  -5.024
  161    HB3  GLU  19           HB1      GLU  19  19.094 -10.318  -4.725
  162    HG2  GLU  19           HG2      GLU  19  21.301  -8.614  -3.598
  163    HG3  GLU  19           HG1      GLU  19  20.217  -9.719  -2.767
  164    H    ALA  20           HN       ALA  20  22.582 -11.539  -6.797
  165    HA   ALA  20           HA       ALA  20  20.935 -14.005  -6.637
  166    HB1  ALA  20           HB1      ALA  20  22.861 -13.182  -8.818
  167    HB2  ALA  20           HB2      ALA  20  21.144 -13.554  -8.979
  168    HB3  ALA  20           HB3      ALA  20  22.292 -14.837  -8.599
  169    H    VAL  21           HN       VAL  21  22.190 -15.965  -6.399
  170    HA   VAL  21           HA       VAL  21  24.405 -15.603  -4.539
  171    HB   VAL  21           HB       VAL  21  22.866 -17.222  -3.793
  172   HG11  VAL  21          HG11      VAL  21  22.832 -18.165  -6.667
  173   HG12  VAL  21          HG12      VAL  21  21.498 -17.490  -5.734
  174   HG13  VAL  21          HG13      VAL  21  22.120 -19.095  -5.351
  175   HG21  VAL  21          HG21      VAL  21  24.102 -19.250  -3.710
  176   HG22  VAL  21          HG22      VAL  21  25.325 -18.000  -3.939
  177   HG23  VAL  21          HG23      VAL  21  24.804 -18.986  -5.306
  178    H    ASP  22           HN       ASP  22  23.734 -16.919  -7.735
  179    HA   ASP  22           HA       ASP  22  26.631 -17.440  -8.134
  180    HB2  ASP  22           HB2      ASP  22  24.985 -19.356  -8.390
  181    HB3  ASP  22           HB1      ASP  22  24.360 -18.511  -9.805
  182    H    ALA  23           HN       ALA  23  27.553 -16.894 -10.162
  183    HA   ALA  23           HA       ALA  23  26.704 -14.328 -11.134
  184    HB1  ALA  23           HB1      ALA  23  28.829 -16.144 -12.285
  185    HB2  ALA  23           HB2      ALA  23  29.098 -15.056 -10.923
  186    HB3  ALA  23           HB3      ALA  23  28.678 -14.400 -12.505
  187    H    ALA  24           HN       ALA  24  26.861 -17.598 -12.520
  188    HA   ALA  24           HA       ALA  24  25.925 -16.929 -15.089
  189    HB1  ALA  24           HB1      ALA  24  27.027 -19.071 -14.571
  190    HB2  ALA  24           HB2      ALA  24  25.463 -19.325 -15.345
  191    HB3  ALA  24           HB3      ALA  24  25.632 -19.552 -13.605
  192    H    THR  25           HN       THR  25  24.105 -17.861 -12.129
  193    HA   THR  25           HA       THR  25  21.589 -18.089 -13.406
  194    HB   THR  25           HB       THR  25  22.356 -18.801 -10.991
  195    HG1  THR  25           HG1      THR  25  20.372 -19.396 -11.039
  196   HG21  THR  25          HG21      THR  25  21.942 -17.322  -9.228
  197   HG22  THR  25          HG22      THR  25  20.893 -16.295 -10.206
  198   HG23  THR  25          HG23      THR  25  22.638 -16.242 -10.435
  199    H    ALA  26           HN       ALA  26  23.379 -15.335 -12.183
  200    HA   ALA  26           HA       ALA  26  21.227 -13.474 -12.194
  201    HB1  ALA  26           HB1      ALA  26  24.114 -12.741 -12.649
  202    HB2  ALA  26           HB2      ALA  26  23.534 -13.259 -11.066
  203    HB3  ALA  26           HB3      ALA  26  22.860 -11.816 -11.823
  204    H    GLU  27           HN       GLU  27  23.537 -14.547 -14.617
  205    HA   GLU  27           HA       GLU  27  23.046 -12.563 -16.555
  206    HB2  GLU  27           HB2      GLU  27  24.573 -13.731 -17.783
  207    HB3  GLU  27           HB1      GLU  27  24.748 -14.731 -16.346
  208    HG2  GLU  27           HG2      GLU  27  22.890 -16.201 -17.260
  209    HG3  GLU  27           HG1      GLU  27  22.987 -15.274 -18.757
  210    H    LYS  28           HN       LYS  28  21.255 -15.404 -15.635
  211    HA   LYS  28           HA       LYS  28  19.737 -15.826 -17.941
  212    HB2  LYS  28           HB2      LYS  28  18.923 -16.132 -15.040
  213    HB3  LYS  28           HB1      LYS  28  18.029 -16.789 -16.411
  214    HG2  LYS  28           HG2      LYS  28  20.137 -18.012 -17.084
  215    HG3  LYS  28           HG1      LYS  28  20.847 -17.498 -15.554
  216    HD2  LYS  28           HD2      LYS  28  18.954 -18.596 -14.347
  217    HD3  LYS  28           HD1      LYS  28  18.348 -19.188 -15.895
  218    HE2  LYS  28           HE2      LYS  28  20.231 -20.596 -16.225
  219    HE3  LYS  28           HE1      LYS  28  21.181 -19.758 -15.002
  220    HZ1  LYS  28           HZ1      LYS  28  18.684 -21.206 -14.284
  221    HZ2  LYS  28           HZ2      LYS  28  19.964 -20.744 -13.266
  222    HZ3  LYS  28           HZ3      LYS  28  20.172 -22.017 -14.372
  223    H    VAL  29           HN       VAL  29  19.203 -13.601 -15.233
  224    HA   VAL  29           HA       VAL  29  16.730 -12.578 -16.228
  225    HB   VAL  29           HB       VAL  29  18.657 -11.186 -14.361
  226   HG11  VAL  29          HG11      VAL  29  15.657 -11.068 -14.784
  227   HG12  VAL  29          HG12      VAL  29  16.821  -9.786 -15.119
  228   HG13  VAL  29          HG13      VAL  29  16.501 -10.275 -13.455
  229   HG21  VAL  29          HG21      VAL  29  18.239 -13.508 -13.608
  230   HG22  VAL  29          HG22      VAL  29  16.502 -13.231 -13.731
  231   HG23  VAL  29          HG23      VAL  29  17.456 -12.341 -12.543
  232    H    PHE  30           HN       PHE  30  20.054 -11.297 -16.221
  233    HA   PHE  30           HA       PHE  30  19.529  -8.949 -17.662
  234    HB2  PHE  30           HB2      PHE  30  22.070 -10.563 -17.436
  235    HB3  PHE  30           HB1      PHE  30  21.974  -8.938 -18.113
  236    HD1  PHE  30           HD1      PHE  30  20.564  -7.223 -16.542
  237    HD2  PHE  30           HD2      PHE  30  22.678 -10.711 -15.181
  238    HE1  PHE  30           HE1      PHE  30  20.695  -6.259 -14.266
  239    HE2  PHE  30           HE2      PHE  30  22.812  -9.738 -12.909
  240    HZ   PHE  30           HZ       PHE  30  21.819  -7.512 -12.450
  241    H    LYS  31           HN       LYS  31  20.551 -12.167 -18.812
  242    HA   LYS  31           HA       LYS  31  20.849 -11.388 -21.522
  243    HB2  LYS  31           HB2      LYS  31  21.660 -13.548 -20.301
  244    HB3  LYS  31           HB1      LYS  31  20.067 -14.178 -20.701
  245    HG2  LYS  31           HG2      LYS  31  21.043 -14.789 -22.687
  246    HG3  LYS  31           HG1      LYS  31  20.815 -13.101 -23.127
  247    HD2  LYS  31           HD2      LYS  31  23.090 -13.400 -23.578
  248    HD3  LYS  31           HD1      LYS  31  23.145 -12.758 -21.936
  249    HE2  LYS  31           HE2      LYS  31  23.180 -15.136 -21.092
  250    HE3  LYS  31           HE1      LYS  31  23.339 -15.669 -22.765
  251    HZ1  LYS  31           HZ1      LYS  31  25.451 -14.939 -22.897
  252    HZ2  LYS  31           HZ2      LYS  31  25.414 -15.146 -21.211
  253    HZ3  LYS  31           HZ3      LYS  31  25.186 -13.603 -21.885
  254    H    GLN  32           HN       GLN  32  18.164 -12.941 -19.768
  255    HA   GLN  32           HA       GLN  32  16.424 -13.006 -22.036
  256    HB2  GLN  32           HB2      GLN  32  16.286 -14.476 -19.969
  257    HB3  GLN  32           HB1      GLN  32  15.600 -13.082 -19.133
  258    HG2  GLN  32           HG2      GLN  32  13.730 -14.323 -19.935
  259    HG3  GLN  32           HG1      GLN  32  13.899 -12.957 -21.037
  260   HE21  GLN  32          HE21      GLN  32  13.576 -13.637 -23.164
  261   HE22  GLN  32          HE22      GLN  32  14.118 -15.113 -23.804
  262    H    TYR  33           HN       TYR  33  17.021 -10.737 -19.425
  263    HA   TYR  33           HA       TYR  33  14.748  -9.106 -19.710
  264    HB2  TYR  33           HB2      TYR  33  16.082  -8.791 -17.774
  265    HB3  TYR  33           HB1      TYR  33  17.548  -8.605 -18.731
  266    HD1  TYR  33           HD1      TYR  33  18.035  -6.542 -19.937
  267    HD2  TYR  33           HD2      TYR  33  14.479  -6.959 -17.566
  268    HE1  TYR  33           HE1      TYR  33  17.686  -4.091 -20.029
  269    HE2  TYR  33           HE2      TYR  33  14.129  -4.506 -17.659
  270    HH   TYR  33           HH       TYR  33  15.470  -2.471 -18.017
  271    H    ALA  34           HN       ALA  34  17.741  -9.308 -21.502
  272    HA   ALA  34           HA       ALA  34  17.683  -6.816 -22.759
  273    HB1  ALA  34           HB1      ALA  34  19.168  -9.273 -22.990
  274    HB2  ALA  34           HB2      ALA  34  19.650  -7.659 -23.507
  275    HB3  ALA  34           HB3      ALA  34  18.763  -8.709 -24.611
  276    H    ASN  35           HN       ASN  35  16.062  -9.858 -23.636
  277    HA   ASN  35           HA       ASN  35  15.075  -8.915 -26.137
  278    HB2  ASN  35           HB2      ASN  35  15.252 -11.340 -25.324
  279    HB3  ASN  35           HB1      ASN  35  13.775 -11.025 -24.414
  280   HD21  ASN  35          HD21      ASN  35  13.230 -12.907 -26.190
  281   HD22  ASN  35          HD22      ASN  35  12.521 -12.313 -27.613
  282    H    ASP  36           HN       ASP  36  13.934  -8.832 -22.819
  283    HA   ASP  36           HA       ASP  36  11.284  -7.983 -23.349
  284    HB2  ASP  36           HB2      ASP  36  12.806  -7.322 -20.840
  285    HB3  ASP  36           HB1      ASP  36  11.088  -7.670 -21.029
  286    H    ASN  37           HN       ASN  37  14.317  -6.173 -22.887
  287    HA   ASN  37           HA       ASN  37  12.828  -3.642 -23.002
  288    HB2  ASN  37           HB2      ASN  37  14.760  -2.603 -22.181
  289    HB3  ASN  37           HB1      ASN  37  14.691  -4.140 -21.331
  290   HD21  ASN  37          HD21      ASN  37  17.151  -2.763 -21.601
  291   HD22  ASN  37          HD22      ASN  37  18.159  -3.650 -22.637
  292    H    GLY  38           HN       GLY  38  14.835  -5.666 -25.031
  293    HA2  GLY  38           HA2      GLY  38  14.674  -5.481 -27.407
  294    HA3  GLY  38           HA1      GLY  38  14.403  -3.757 -27.243
  295    H    VAL  39           HN       VAL  39  17.063  -5.393 -25.550
  296    HA   VAL  39           HA       VAL  39  18.957  -4.163 -27.489
  297    HB   VAL  39           HB       VAL  39  20.387  -3.429 -25.782
  298   HG11  VAL  39          HG11      VAL  39  17.549  -3.046 -24.801
  299   HG12  VAL  39          HG12      VAL  39  18.393  -2.036 -25.970
  300   HG13  VAL  39          HG13      VAL  39  18.933  -2.083 -24.293
  301   HG21  VAL  39          HG21      VAL  39  19.786  -4.008 -23.313
  302   HG22  VAL  39          HG22      VAL  39  20.578  -5.243 -24.285
  303   HG23  VAL  39          HG23      VAL  39  18.840  -5.316 -24.016
  304    H    ASP  40           HN       ASP  40  19.940  -5.712 -28.586
  305    HA   ASP  40           HA       ASP  40  20.862  -8.131 -27.117
  306    HB2  ASP  40           HB2      ASP  40  18.862  -8.430 -28.735
  307    HB3  ASP  40           HB1      ASP  40  20.037  -8.166 -30.020
  308    H    GLY  41           HN       GLY  41  23.039  -7.836 -26.955
  309    HA2  GLY  41           HA2      GLY  41  24.547  -7.434 -29.454
  310    HA3  GLY  41           HA1      GLY  41  24.838  -6.318 -28.125
  311    H    GLU  42           HN       GLU  42  27.086  -7.214 -28.384
  312    HA   GLU  42           HA       GLU  42  27.576  -9.918 -27.573
  313    HB2  GLU  42           HB2      GLU  42  29.655  -7.742 -27.525
  314    HB3  GLU  42           HB1      GLU  42  29.841  -9.450 -27.924
  315    HG2  GLU  42           HG2      GLU  42  28.376  -9.045 -29.944
  316    HG3  GLU  42           HG1      GLU  42  28.475  -7.321 -29.587
  317    H    TRP  43           HN       TRP  43  27.668 -10.680 -25.588
  318    HA   TRP  43           HA       TRP  43  27.532  -8.855 -23.308
  319    HB2  TRP  43           HB2      TRP  43  27.127 -11.825 -23.657
  320    HB3  TRP  43           HB1      TRP  43  27.185 -11.066 -22.066
  321    HD1  TRP  43           HD1      TRP  43  25.084 -11.167 -25.268
  322    HE1  TRP  43           HE1      TRP  43  22.762 -10.168 -24.748
  323    HE3  TRP  43           HE3      TRP  43  25.902  -9.487 -20.527
  324    HZ2  TRP  43           HZ2      TRP  43  21.434  -8.838 -22.592
  325    HZ3  TRP  43           HZ3      TRP  43  24.099  -8.365 -19.262
  326    HH2  TRP  43           HH2      TRP  43  21.865  -8.033 -20.285
  327    H    THR  44           HN       THR  44  28.760  -9.283 -21.408
  328    HA   THR  44           HA       THR  44  31.238 -10.769 -21.569
  329    HB   THR  44           HB       THR  44  31.809  -8.620 -22.701
  330    HG1  THR  44           HG1      THR  44  32.872  -9.022 -20.104
  331   HG21  THR  44          HG21      THR  44  30.071  -7.334 -21.360
  332   HG22  THR  44          HG22      THR  44  31.635  -6.541 -21.549
  333   HG23  THR  44          HG23      THR  44  31.226  -7.338 -20.029
  334    H    TYR  45           HN       TYR  45  32.424 -10.517 -19.364
  335    HA   TYR  45           HA       TYR  45  30.982  -9.352 -17.202
  336    HB2  TYR  45           HB2      TYR  45  29.379 -11.061 -17.454
  337    HB3  TYR  45           HB1      TYR  45  30.605 -12.287 -17.742
  338    HD1  TYR  45           HD1      TYR  45  30.059  -9.674 -15.082
  339    HD2  TYR  45           HD2      TYR  45  30.735 -13.821 -15.987
  340    HE1  TYR  45           HE1      TYR  45  30.090 -10.205 -12.664
  341    HE2  TYR  45           HE2      TYR  45  30.768 -14.344 -13.568
  342    HH   TYR  45           HH       TYR  45  29.563 -12.890 -11.361
  343    H    ASP  46           HN       ASP  46  32.250  -9.078 -15.519
  344    HA   ASP  46           HA       ASP  46  34.657 -10.781 -15.209
  345    HB2  ASP  46           HB2      ASP  46  35.469  -8.664 -15.990
  346    HB3  ASP  46           HB1      ASP  46  34.380  -7.779 -14.923
  347    H    ASP  47           HN       ASP  47  34.294 -11.992 -13.424
  348    HA   ASP  47           HA       ASP  47  32.397 -11.324 -11.421
  349    HB2  ASP  47           HB2      ASP  47  33.168 -13.646 -12.013
  350    HB3  ASP  47           HB1      ASP  47  34.676 -13.292 -11.170
  351    H    ALA  48           HN       ALA  48  35.630 -10.350 -11.921
  352    HA   ALA  48           HA       ALA  48  36.268  -9.867  -9.147
  353    HB1  ALA  48           HB1      ALA  48  38.278  -8.801 -10.017
  354    HB2  ALA  48           HB2      ALA  48  37.610  -8.822 -11.648
  355    HB3  ALA  48           HB3      ALA  48  38.012 -10.337 -10.841
  356    H    THR  49           HN       THR  49  34.379  -8.244 -11.484
  357    HA   THR  49           HA       THR  49  34.442  -5.759  -9.856
  358    HB   THR  49           HB       THR  49  33.805  -4.634 -12.132
  359    HG1  THR  49           HG1      THR  49  34.390  -5.725 -13.903
  360   HG21  THR  49          HG21      THR  49  35.858  -4.037 -11.085
  361   HG22  THR  49          HG22      THR  49  36.284  -4.499 -12.732
  362   HG23  THR  49          HG23      THR  49  36.566  -5.621 -11.403
  363    H    LYS  50           HN       LYS  50  32.630  -8.374 -10.632
  364    HA   LYS  50           HA       LYS  50  30.357  -8.792 -10.845
  365    HB2  LYS  50           HB2      LYS  50  30.108  -6.483  -8.917
  366    HB3  LYS  50           HB1      LYS  50  29.088  -7.914  -9.031
  367    HG2  LYS  50           HG2      LYS  50  32.031  -7.991  -8.286
  368    HG3  LYS  50           HG1      LYS  50  30.716  -7.981  -7.115
  369    HD2  LYS  50           HD2      LYS  50  29.792 -10.028  -8.314
  370    HD3  LYS  50           HD1      LYS  50  31.327 -10.103  -9.181
  371    HE2  LYS  50           HE2      LYS  50  32.548 -10.295  -7.076
  372    HE3  LYS  50           HE1      LYS  50  31.050 -10.116  -6.163
  373    HZ1  LYS  50           HZ1      LYS  50  30.917 -12.319  -6.268
  374    HZ2  LYS  50           HZ2      LYS  50  32.130 -12.431  -7.452
  375    HZ3  LYS  50           HZ3      LYS  50  30.519 -12.135  -7.907
  376    H    THR  51           HN       THR  51  30.864  -7.533 -13.102
  377    HA   THR  51           HA       THR  51  28.589  -5.698 -13.418
  378    HB   THR  51           HB       THR  51  31.405  -4.953 -14.252
  379    HG1  THR  51           HG1      THR  51  30.620  -4.741 -11.972
  380   HG21  THR  51          HG21      THR  51  29.925  -4.111 -15.915
  381   HG22  THR  51          HG22      THR  51  30.192  -2.762 -14.813
  382   HG23  THR  51          HG23      THR  51  28.698  -3.694 -14.719
  383    H    PHE  52           HN       PHE  52  27.464  -6.160 -15.199
  384    HA   PHE  52           HA       PHE  52  28.734  -7.729 -17.373
  385    HB2  PHE  52           HB2      PHE  52  25.858  -7.449 -16.470
  386    HB3  PHE  52           HB1      PHE  52  26.329  -8.238 -17.973
  387    HD1  PHE  52           HD1      PHE  52  27.195  -8.276 -14.314
  388    HD2  PHE  52           HD2      PHE  52  26.712 -10.543 -17.934
  389    HE1  PHE  52           HE1      PHE  52  27.640 -10.372 -13.069
  390    HE2  PHE  52           HE2      PHE  52  27.158 -12.634 -16.683
  391    HZ   PHE  52           HZ       PHE  52  27.620 -12.549 -14.249
  392    H    THR  53           HN       THR  53  28.182  -7.086 -19.589
  393    HA   THR  53           HA       THR  53  26.834  -4.521 -19.949
  394    HB   THR  53           HB       THR  53  28.685  -3.447 -21.110
  395    HG1  THR  53           HG1      THR  53  30.362  -4.538 -21.680
  396   HG21  THR  53          HG21      THR  53  30.090  -2.925 -19.232
  397   HG22  THR  53          HG22      THR  53  29.711  -4.454 -18.446
  398   HG23  THR  53          HG23      THR  53  28.473  -3.211 -18.602
  399    H    VAL  54           HN       VAL  54  25.691  -4.534 -21.827
  400    HA   VAL  54           HA       VAL  54  26.433  -6.552 -23.891
  401    HB   VAL  54           HB       VAL  54  24.229  -6.928 -22.751
  402   HG11  VAL  54          HG11      VAL  54  23.849  -4.362 -22.567
  403   HG12  VAL  54          HG12      VAL  54  22.462  -5.385 -22.929
  404   HG13  VAL  54          HG13      VAL  54  23.249  -4.483 -24.223
  405   HG21  VAL  54          HG21      VAL  54  23.028  -7.371 -24.803
  406   HG22  VAL  54          HG22      VAL  54  24.742  -7.611 -25.140
  407   HG23  VAL  54          HG23      VAL  54  23.939  -6.131 -25.666
  408    H    THR  55           HN       THR  55  27.148  -5.734 -25.746
  409    HA   THR  55           HA       THR  55  26.427  -2.944 -26.483
  410    HB   THR  55           HB       THR  55  28.844  -3.404 -25.720
  411    HG1  THR  55           HG1      THR  55  29.441  -1.833 -27.035
  412   HG21  THR  55          HG21      THR  55  30.322  -4.552 -27.140
  413   HG22  THR  55          HG22      THR  55  29.221  -4.466 -28.514
  414   HG23  THR  55          HG23      THR  55  28.882  -5.569 -27.181
  415    H    GLU  56           HN       GLU  56  25.373  -2.724 -28.360
  416    HA   GLU  56           HA       GLU  56  25.650  -4.839 -30.429
  417    HB2  GLU  56           HB2      GLU  56  23.241  -4.087 -31.020
  418    HB3  GLU  56           HB1      GLU  56  23.471  -5.110 -29.604
  419    HG2  GLU  56           HG2      GLU  56  23.398  -3.208 -28.126
  420    HG3  GLU  56           HG1      GLU  56  23.349  -2.095 -29.496
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  26.581 -12.662  -2.910
    2    H2   MET   1           HT2      MET   1  25.352 -12.493  -4.071
    3    H3   MET   1           HT3      MET   1  25.197 -11.748  -2.551
    4    HA   MET   1           HA       MET   1  26.752 -10.133  -3.004
    5    HB2  MET   1           HB2      MET   1  28.644 -10.497  -4.260
    6    HB3  MET   1           HB1      MET   1  28.165 -12.183  -4.155
    7    HG2  MET   1           HG2      MET   1  26.782 -11.671  -6.328
    8    HG3  MET   1           HG1      MET   1  27.845 -10.268  -6.461
    9    HE1  MET   1           HE1      MET   1  27.222 -13.818  -7.136
   10    HE2  MET   1           HE2      MET   1  27.901 -14.054  -5.529
   11    HE3  MET   1           HE3      MET   1  28.750 -14.686  -6.937
   12    H    GLN   2           HN       GLN   2  26.969  -8.727  -5.289
   13    HA   GLN   2           HA       GLN   2  24.264  -8.748  -6.515
   14    HB2  GLN   2           HB2      GLN   2  25.866  -6.411  -5.462
   15    HB3  GLN   2           HB1      GLN   2  24.494  -6.225  -6.556
   16    HG2  GLN   2           HG2      GLN   2  23.057  -7.438  -4.942
   17    HG3  GLN   2           HG1      GLN   2  24.427  -7.572  -3.841
   18   HE21  GLN   2          HE21      GLN   2  21.698  -5.712  -4.357
   19   HE22  GLN   2          HE22      GLN   2  22.222  -4.256  -3.662
   20    H    TYR   3           HN       TYR   3  24.121  -8.156  -8.645
   21    HA   TYR   3           HA       TYR   3  26.663  -7.776 -10.134
   22    HB2  TYR   3           HB2      TYR   3  24.236  -9.433 -10.859
   23    HB3  TYR   3           HB1      TYR   3  25.513  -9.010 -11.999
   24    HD1  TYR   3           HD1      TYR   3  27.987  -9.462 -11.078
   25    HD2  TYR   3           HD2      TYR   3  24.437 -11.474  -9.734
   26    HE1  TYR   3           HE1      TYR   3  29.361 -11.368 -10.293
   27    HE2  TYR   3           HE2      TYR   3  25.813 -13.376  -8.945
   28    HH   TYR   3           HH       TYR   3  27.853 -14.277  -8.909
   29    H    LYS   4           HN       LYS   4  26.654  -6.161 -11.627
   30    HA   LYS   4           HA       LYS   4  24.094  -4.703 -12.055
   31    HB2  LYS   4           HB2      LYS   4  25.769  -3.481 -10.649
   32    HB3  LYS   4           HB1      LYS   4  26.883  -3.526 -12.014
   33    HG2  LYS   4           HG2      LYS   4  25.202  -2.332 -13.402
   34    HG3  LYS   4           HG1      LYS   4  24.130  -2.240 -12.010
   35    HD2  LYS   4           HD2      LYS   4  26.812  -1.230 -11.334
   36    HD3  LYS   4           HD1      LYS   4  26.145  -0.367 -12.713
   37    HE2  LYS   4           HE2      LYS   4  24.503  -0.807 -10.219
   38    HE3  LYS   4           HE1      LYS   4  25.620   0.549 -10.358
   39    HZ1  LYS   4           HZ1      LYS   4  24.121   1.621 -11.555
   40    HZ2  LYS   4           HZ2      LYS   4  23.043   0.315 -11.421
   41    HZ3  LYS   4           HZ3      LYS   4  24.134   0.389 -12.722
   42    H    LEU   5           HN       LEU   5  23.436  -4.569 -14.078
   43    HA   LEU   5           HA       LEU   5  25.316  -5.203 -16.267
   44    HB2  LEU   5           HB2      LEU   5  23.582  -6.825 -16.200
   45    HB3  LEU   5           HB1      LEU   5  22.348  -5.613 -15.926
   46    HG   LEU   5           HG       LEU   5  22.432  -6.620 -18.257
   47   HD11  LEU   5          HD11      LEU   5  22.844  -3.769 -18.826
   48   HD12  LEU   5          HD12      LEU   5  21.747  -4.057 -17.489
   49   HD13  LEU   5          HD13      LEU   5  21.425  -4.776 -19.060
   50   HD21  LEU   5          HD21      LEU   5  25.058  -6.401 -18.229
   51   HD22  LEU   5          HD22      LEU   5  24.730  -4.794 -18.858
   52   HD23  LEU   5          HD23      LEU   5  24.170  -6.201 -19.735
   53    H    ILE   6           HN       ILE   6  25.806  -3.616 -17.673
   54    HA   ILE   6           HA       ILE   6  24.372  -1.043 -17.454
   55    HB   ILE   6           HB       ILE   6  26.918  -1.635 -18.967
   56   HG12  ILE   6          HG12      ILE   6  27.341  -2.192 -16.648
   57   HG13  ILE   6          HG11      ILE   6  28.056  -0.615 -16.968
   58   HG21  ILE   6          HG21      ILE   6  25.672   0.919 -17.929
   59   HG22  ILE   6          HG22      ILE   6  25.736   0.408 -19.614
   60   HG23  ILE   6          HG23      ILE   6  27.225   0.806 -18.759
   61   HD11  ILE   6          HD11      ILE   6  25.535  -1.257 -15.445
   62   HD12  ILE   6          HD12      ILE   6  25.806   0.349 -16.112
   63   HD13  ILE   6          HD13      ILE   6  26.924  -0.308 -14.921
   64    H    LEU   7           HN       LEU   7  23.126  -0.293 -19.026
   65    HA   LEU   7           HA       LEU   7  22.736  -1.961 -21.402
   66    HB2  LEU   7           HB2      LEU   7  21.174   0.246 -20.076
   67    HB3  LEU   7           HB1      LEU   7  20.850  -0.167 -21.756
   68    HG   LEU   7           HG       LEU   7  20.665  -2.629 -20.857
   69   HD11  LEU   7          HD11      LEU   7  21.514  -1.876 -18.551
   70   HD12  LEU   7          HD12      LEU   7  20.069  -2.882 -18.578
   71   HD13  LEU   7          HD13      LEU   7  19.927  -1.143 -18.332
   72   HD21  LEU   7          HD21      LEU   7  18.257  -2.164 -20.219
   73   HD22  LEU   7          HD22      LEU   7  18.756  -1.496 -21.771
   74   HD23  LEU   7          HD23      LEU   7  18.630  -0.447 -20.358
   75    H    ASN   8           HN       ASN   8  23.959  -1.576 -23.068
   76    HA   ASN   8           HA       ASN   8  24.377   1.207 -23.965
   77    HB2  ASN   8           HB2      ASN   8  26.644   0.292 -24.820
   78    HB3  ASN   8           HB1      ASN   8  26.509   0.688 -23.109
   79   HD21  ASN   8          HD21      ASN   8  27.619  -1.704 -25.154
   80   HD22  ASN   8          HD22      ASN   8  27.518  -3.030 -24.097
   81    H    GLY   9           HN       GLY   9  22.619   0.851 -25.386
   82    HA2  GLY   9           HA2      GLY   9  23.179  -1.053 -27.594
   83    HA3  GLY   9           HA1      GLY   9  21.558  -0.727 -26.995
   84    H    LYS  10           HN       LYS  10  21.022  -0.165 -29.177
   85    HA   LYS  10           HA       LYS  10  22.286   2.058 -30.459
   86    HB2  LYS  10           HB2      LYS  10  19.554   0.939 -31.097
   87    HB3  LYS  10           HB1      LYS  10  20.662   1.786 -32.179
   88    HG2  LYS  10           HG2      LYS  10  22.289  -0.066 -31.953
   89    HG3  LYS  10           HG1      LYS  10  21.159  -0.920 -30.899
   90    HD2  LYS  10           HD2      LYS  10  19.470  -0.761 -32.808
   91    HD3  LYS  10           HD1      LYS  10  20.817  -0.253 -33.828
   92    HE2  LYS  10           HE2      LYS  10  22.033  -2.353 -33.058
   93    HE3  LYS  10           HE1      LYS  10  20.503  -2.878 -32.360
   94    HZ1  LYS  10           HZ1      LYS  10  20.638  -3.788 -34.522
   95    HZ2  LYS  10           HZ2      LYS  10  21.084  -2.300 -35.208
   96    HZ3  LYS  10           HZ3      LYS  10  19.511  -2.523 -34.605
   97    H    THR  11           HN       THR  11  19.156   1.677 -28.722
   98    HA   THR  11           HA       THR  11  19.128   4.626 -28.367
   99    HB   THR  11           HB       THR  11  16.644   4.521 -28.591
  100    HG1  THR  11           HG1      THR  11  17.280   1.888 -29.425
  101   HG21  THR  11          HG21      THR  11  18.039   5.242 -30.471
  102   HG22  THR  11          HG22      THR  11  16.669   4.300 -31.062
  103   HG23  THR  11          HG23      THR  11  18.269   3.563 -30.964
  104    H    LEU  12           HN       LEU  12  18.820   1.516 -26.911
  105    HA   LEU  12           HA       LEU  12  17.491   2.634 -24.539
  106    HB2  LEU  12           HB2      LEU  12  17.053   0.293 -25.818
  107    HB3  LEU  12           HB1      LEU  12  18.250  -0.255 -24.649
  108    HG   LEU  12           HG       LEU  12  15.598   1.098 -24.074
  109   HD11  LEU  12          HD11      LEU  12  16.581  -1.514 -22.936
  110   HD12  LEU  12          HD12      LEU  12  15.881  -1.469 -24.555
  111   HD13  LEU  12          HD13      LEU  12  14.925  -0.951 -23.169
  112   HD21  LEU  12          HD21      LEU  12  18.015   0.648 -22.327
  113   HD22  LEU  12          HD22      LEU  12  16.406   0.602 -21.620
  114   HD23  LEU  12          HD23      LEU  12  16.970   2.062 -22.420
  115    H    LYS  13           HN       LYS  13  18.776   3.510 -23.055
  116    HA   LYS  13           HA       LYS  13  21.221   2.077 -22.228
  117    HB2  LYS  13           HB2      LYS  13  20.947   4.936 -23.111
  118    HB3  LYS  13           HB1      LYS  13  22.100   4.560 -21.838
  119    HG2  LYS  13           HG2      LYS  13  23.609   3.884 -23.401
  120    HG3  LYS  13           HG1      LYS  13  22.521   2.616 -23.923
  121    HD2  LYS  13           HD2      LYS  13  22.271   5.458 -24.927
  122    HD3  LYS  13           HD1      LYS  13  23.290   4.257 -25.716
  123    HE2  LYS  13           HE2      LYS  13  20.304   4.038 -25.251
  124    HE3  LYS  13           HE1      LYS  13  21.105   4.299 -26.798
  125    HZ1  LYS  13           HZ1      LYS  13  21.405   1.902 -25.073
  126    HZ2  LYS  13           HZ2      LYS  13  22.209   2.160 -26.543
  127    HZ3  LYS  13           HZ3      LYS  13  20.521   1.982 -26.515
  128    H    GLY  14           HN       GLY  14  21.572   2.007 -20.073
  129    HA2  GLY  14           HA2      GLY  14  20.647   3.758 -18.110
  130    HA3  GLY  14           HA1      GLY  14  19.413   2.517 -18.304
  131    H    GLU  15           HN       GLU  15  19.849   1.772 -16.135
  132    HA   GLU  15           HA       GLU  15  22.245   0.033 -15.945
  133    HB2  GLU  15           HB2      GLU  15  21.088   1.586 -13.623
  134    HB3  GLU  15           HB1      GLU  15  22.555   0.612 -13.639
  135    HG2  GLU  15           HG2      GLU  15  22.207   3.013 -15.437
  136    HG3  GLU  15           HG1      GLU  15  22.859   3.144 -13.810
  137    H    THR  16           HN       THR  16  21.948  -1.876 -14.739
  138    HA   THR  16           HA       THR  16  19.296  -2.424 -13.613
  139    HB   THR  16           HB       THR  16  20.416  -4.365 -15.624
  140    HG1  THR  16           HG1      THR  16  18.564  -3.210 -16.857
  141   HG21  THR  16          HG21      THR  16  18.257  -5.297 -15.607
  142   HG22  THR  16          HG22      THR  16  17.538  -3.840 -14.919
  143   HG23  THR  16          HG23      THR  16  18.540  -4.887 -13.916
  144    H    THR  17           HN       THR  17  19.494  -3.591 -11.781
  145    HA   THR  17           HA       THR  17  21.913  -5.265 -11.420
  146    HB   THR  17           HB       THR  17  20.711  -3.713  -9.135
  147    HG1  THR  17           HG1      THR  17  22.928  -2.571 -10.065
  148   HG21  THR  17          HG21      THR  17  23.587  -4.492  -9.590
  149   HG22  THR  17          HG22      THR  17  22.433  -5.649  -8.930
  150   HG23  THR  17          HG23      THR  17  22.767  -4.151  -8.069
  151    H    THR  18           HN       THR  18  21.685  -6.982  -9.893
  152    HA   THR  18           HA       THR  18  18.998  -7.680  -8.994
  153    HB   THR  18           HB       THR  18  19.302  -8.576 -11.361
  154    HG1  THR  18           HG1      THR  18  17.853  -9.823 -10.531
  155   HG21  THR  18          HG21      THR  18  21.765  -9.187 -10.851
  156   HG22  THR  18          HG22      THR  18  20.807 -10.347 -11.772
  157   HG23  THR  18          HG23      THR  18  21.100 -10.611 -10.054
  158    H    GLU  19           HN       GLU  19  19.000  -9.336  -7.404
  159    HA   GLU  19           HA       GLU  19  21.611  -9.648  -6.043
  160    HB2  GLU  19           HB2      GLU  19  19.963  -8.586  -4.652
  161    HB3  GLU  19           HB1      GLU  19  18.746  -9.787  -5.070
  162    HG2  GLU  19           HG2      GLU  19  19.809 -10.107  -2.798
  163    HG3  GLU  19           HG1      GLU  19  19.917 -11.509  -3.858
  164    H    ALA  20           HN       ALA  20  22.551 -11.477  -6.745
  165    HA   ALA  20           HA       ALA  20  21.036 -14.010  -6.511
  166    HB1  ALA  20           HB1      ALA  20  21.875 -14.825  -8.583
  167    HB2  ALA  20           HB2      ALA  20  22.977 -13.464  -8.761
  168    HB3  ALA  20           HB3      ALA  20  21.238 -13.217  -8.928
  169    H    VAL  21           HN       VAL  21  22.463 -15.899  -6.392
  170    HA   VAL  21           HA       VAL  21  24.791 -15.330  -4.715
  171    HB   VAL  21           HB       VAL  21  23.438 -17.008  -3.773
  172   HG11  VAL  21          HG11      VAL  21  23.208 -18.112  -6.582
  173   HG12  VAL  21          HG12      VAL  21  21.924 -17.416  -5.595
  174   HG13  VAL  21          HG13      VAL  21  22.633 -18.968  -5.153
  175   HG21  VAL  21          HG21      VAL  21  25.913 -17.645  -4.121
  176   HG22  VAL  21          HG22      VAL  21  25.337 -18.707  -5.404
  177   HG23  VAL  21          HG23      VAL  21  24.798 -18.958  -3.744
  178    H    ASP  22           HN       ASP  22  23.930 -16.910  -7.759
  179    HA   ASP  22           HA       ASP  22  26.796 -17.311  -8.380
  180    HB2  ASP  22           HB2      ASP  22  24.278 -18.484  -9.559
  181    HB3  ASP  22           HB1      ASP  22  25.880 -18.721 -10.257
  182    H    ALA  23           HN       ALA  23  27.610 -16.748 -10.428
  183    HA   ALA  23           HA       ALA  23  26.702 -14.190 -11.369
  184    HB1  ALA  23           HB1      ALA  23  28.875 -16.066 -12.310
  185    HB2  ALA  23           HB2      ALA  23  29.066 -14.606 -11.341
  186    HB3  ALA  23           HB3      ALA  23  28.571 -14.486 -13.029
  187    H    ALA  24           HN       ALA  24  26.825 -17.466 -12.741
  188    HA   ALA  24           HA       ALA  24  25.756 -16.806 -15.268
  189    HB1  ALA  24           HB1      ALA  24  25.291 -19.235 -15.467
  190    HB2  ALA  24           HB2      ALA  24  25.683 -19.429 -13.757
  191    HB3  ALA  24           HB3      ALA  24  26.928 -18.908 -14.894
  192    H    THR  25           HN       THR  25  24.116 -17.805 -12.223
  193    HA   THR  25           HA       THR  25  21.550 -18.102 -13.368
  194    HB   THR  25           HB       THR  25  22.451 -18.785 -10.995
  195    HG1  THR  25           HG1      THR  25  20.182 -18.626 -10.288
  196   HG21  THR  25          HG21      THR  25  20.969 -16.303 -10.157
  197   HG22  THR  25          HG22      THR  25  22.706 -16.231 -10.438
  198   HG23  THR  25          HG23      THR  25  22.059 -17.316  -9.211
  199    H    ALA  26           HN       ALA  26  23.289 -15.289 -12.176
  200    HA   ALA  26           HA       ALA  26  21.074 -13.501 -12.152
  201    HB1  ALA  26           HB1      ALA  26  23.387 -13.216 -11.049
  202    HB2  ALA  26           HB2      ALA  26  22.656 -11.792 -11.789
  203    HB3  ALA  26           HB3      ALA  26  23.931 -12.669 -12.634
  204    H    GLU  27           HN       GLU  27  23.398 -14.487 -14.596
  205    HA   GLU  27           HA       GLU  27  22.868 -12.515 -16.521
  206    HB2  GLU  27           HB2      GLU  27  24.397 -13.669 -17.754
  207    HB3  GLU  27           HB1      GLU  27  24.564 -14.695 -16.336
  208    HG2  GLU  27           HG2      GLU  27  22.711 -16.147 -17.274
  209    HG3  GLU  27           HG1      GLU  27  22.794 -15.186 -18.749
  210    H    LYS  28           HN       LYS  28  21.084 -15.387 -15.633
  211    HA   LYS  28           HA       LYS  28  19.568 -15.766 -17.942
  212    HB2  LYS  28           HB2      LYS  28  18.721 -16.104 -15.054
  213    HB3  LYS  28           HB1      LYS  28  17.860 -16.762 -16.447
  214    HG2  LYS  28           HG2      LYS  28  20.101 -17.881 -17.073
  215    HG3  LYS  28           HG1      LYS  28  20.608 -17.495 -15.429
  216    HD2  LYS  28           HD2      LYS  28  18.240 -19.202 -16.253
  217    HD3  LYS  28           HD1      LYS  28  19.697 -19.741 -15.420
  218    HE2  LYS  28           HE2      LYS  28  19.063 -18.074 -13.565
  219    HE3  LYS  28           HE1      LYS  28  17.489 -17.969 -14.348
  220    HZ1  LYS  28           HZ1      LYS  28  17.024 -19.711 -12.983
  221    HZ2  LYS  28           HZ2      LYS  28  18.650 -20.164 -12.805
  222    HZ3  LYS  28           HZ3      LYS  28  17.783 -20.630 -14.190
  223    H    VAL  29           HN       VAL  29  19.040 -13.541 -15.232
  224    HA   VAL  29           HA       VAL  29  16.558 -12.532 -16.223
  225    HB   VAL  29           HB       VAL  29  18.481 -11.109 -14.377
  226   HG11  VAL  29          HG11      VAL  29  15.471 -11.057 -14.752
  227   HG12  VAL  29          HG12      VAL  29  16.601  -9.760 -15.138
  228   HG13  VAL  29          HG13      VAL  29  16.329 -10.220 -13.457
  229   HG21  VAL  29          HG21      VAL  29  16.406 -13.233 -13.752
  230   HG22  VAL  29          HG22      VAL  29  17.255 -12.267 -12.544
  231   HG23  VAL  29          HG23      VAL  29  18.151 -13.398 -13.560
  232    H    PHE  30           HN       PHE  30  19.874 -11.229 -16.220
  233    HA   PHE  30           HA       PHE  30  19.332  -8.897 -17.684
  234    HB2  PHE  30           HB2      PHE  30  21.891 -10.485 -17.455
  235    HB3  PHE  30           HB1      PHE  30  21.775  -8.860 -18.120
  236    HD1  PHE  30           HD1      PHE  30  20.310  -7.188 -16.508
  237    HD2  PHE  30           HD2      PHE  30  22.563 -10.616 -15.220
  238    HE1  PHE  30           HE1      PHE  30  20.452  -6.243 -14.225
  239    HE2  PHE  30           HE2      PHE  30  22.707  -9.662 -12.942
  240    HZ   PHE  30           HZ       PHE  30  21.649  -7.475 -12.443
  241    H    LYS  31           HN       LYS  31  20.380 -12.116 -18.815
  242    HA   LYS  31           HA       LYS  31  20.762 -11.388 -21.506
  243    HB2  LYS  31           HB2      LYS  31  21.345 -13.607 -20.232
  244    HB3  LYS  31           HB1      LYS  31  19.745 -14.119 -20.750
  245    HG2  LYS  31           HG2      LYS  31  20.971 -14.834 -22.583
  246    HG3  LYS  31           HG1      LYS  31  20.611 -13.195 -23.115
  247    HD2  LYS  31           HD2      LYS  31  22.976 -13.588 -23.459
  248    HD3  LYS  31           HD1      LYS  31  22.804 -12.454 -22.122
  249    HE2  LYS  31           HE2      LYS  31  23.618 -13.962 -20.574
  250    HE3  LYS  31           HE1      LYS  31  22.886 -15.349 -21.379
  251    HZ1  LYS  31           HZ1      LYS  31  24.786 -15.760 -22.396
  252    HZ2  LYS  31           HZ2      LYS  31  25.516 -14.493 -21.531
  253    HZ3  LYS  31           HZ3      LYS  31  24.831 -14.200 -23.057
  254    H    GLN  32           HN       GLN  32  17.925 -12.846 -19.910
  255    HA   GLN  32           HA       GLN  32  16.288 -12.694 -22.254
  256    HB2  GLN  32           HB2      GLN  32  16.012 -14.312 -20.324
  257    HB3  GLN  32           HB1      GLN  32  15.343 -12.964 -19.402
  258    HG2  GLN  32           HG2      GLN  32  13.591 -12.645 -21.071
  259    HG3  GLN  32           HG1      GLN  32  14.285 -13.912 -22.079
  260   HE21  GLN  32          HE21      GLN  32  13.065 -15.802 -21.892
  261   HE22  GLN  32          HE22      GLN  32  12.368 -16.368 -20.452
  262    H    TYR  33           HN       TYR  33  16.761 -10.650 -19.413
  263    HA   TYR  33           HA       TYR  33  14.537  -8.968 -19.760
  264    HB2  TYR  33           HB2      TYR  33  15.751  -8.914 -17.691
  265    HB3  TYR  33           HB1      TYR  33  17.240  -8.461 -18.518
  266    HD1  TYR  33           HD2      TYR  33  13.850  -7.317 -17.566
  267    HD2  TYR  33           HD1      TYR  33  17.658  -6.199 -19.210
  268    HE1  TYR  33           HE2      TYR  33  13.232  -4.924 -17.366
  269    HE2  TYR  33           HE1      TYR  33  17.039  -3.805 -19.011
  270    HH   TYR  33           HH       TYR  33  13.855  -2.775 -18.389
  271    H    ALA  34           HN       ALA  34  17.881  -8.663 -20.969
  272    HA   ALA  34           HA       ALA  34  17.570  -6.158 -22.195
  273    HB1  ALA  34           HB1      ALA  34  19.636  -6.548 -23.201
  274    HB2  ALA  34           HB2      ALA  34  19.320  -8.269 -23.424
  275    HB3  ALA  34           HB3      ALA  34  19.702  -7.643 -21.820
  276    H    ASN  35           HN       ASN  35  16.931  -9.449 -23.439
  277    HA   ASN  35           HA       ASN  35  16.313  -8.705 -26.086
  278    HB2  ASN  35           HB2      ASN  35  16.630 -11.064 -25.110
  279    HB3  ASN  35           HB1      ASN  35  14.953 -10.940 -24.578
  280   HD21  ASN  35          HD21      ASN  35  16.443 -12.521 -26.886
  281   HD22  ASN  35          HD22      ASN  35  15.434 -12.244 -28.223
  282    H    ASP  36           HN       ASP  36  14.358  -8.974 -23.145
  283    HA   ASP  36           HA       ASP  36  11.871  -8.271 -24.327
  284    HB2  ASP  36           HB2      ASP  36  12.620  -7.741 -21.454
  285    HB3  ASP  36           HB1      ASP  36  11.045  -8.177 -22.119
  286    H    ASN  37           HN       ASN  37  14.613  -6.453 -23.190
  287    HA   ASN  37           HA       ASN  37  13.169  -3.948 -23.058
  288    HB2  ASN  37           HB2      ASN  37  15.514  -4.959 -21.934
  289    HB3  ASN  37           HB1      ASN  37  16.113  -3.796 -23.103
  290   HD21  ASN  37          HD21      ASN  37  16.709  -2.988 -20.674
  291   HD22  ASN  37          HD22      ASN  37  15.632  -1.831 -20.057
  292    H    GLY  38           HN       GLY  38  15.036  -5.714 -25.419
  293    HA2  GLY  38           HA2      GLY  38  14.597  -5.148 -27.762
  294    HA3  GLY  38           HA1      GLY  38  14.719  -3.452 -27.323
  295    H    VAL  39           HN       VAL  39  17.090  -3.723 -25.654
  296    HA   VAL  39           HA       VAL  39  19.053  -3.698 -27.784
  297    HB   VAL  39           HB       VAL  39  19.362  -1.978 -26.218
  298   HG11  VAL  39          HG11      VAL  39  19.553  -2.485 -23.741
  299   HG12  VAL  39          HG12      VAL  39  18.956  -4.102 -24.106
  300   HG13  VAL  39          HG13      VAL  39  17.947  -2.696 -24.432
  301   HG21  VAL  39          HG21      VAL  39  21.455  -3.350 -26.750
  302   HG22  VAL  39          HG22      VAL  39  21.259  -4.081 -25.160
  303   HG23  VAL  39          HG23      VAL  39  21.539  -2.347 -25.302
  304    H    ASP  40           HN       ASP  40  19.789  -5.561 -28.542
  305    HA   ASP  40           HA       ASP  40  20.722  -7.631 -26.625
  306    HB2  ASP  40           HB2      ASP  40  18.576  -8.159 -27.993
  307    HB3  ASP  40           HB1      ASP  40  19.663  -8.291 -29.373
  308    H    GLY  41           HN       GLY  41  22.936  -7.540 -26.719
  309    HA2  GLY  41           HA2      GLY  41  24.191  -7.624 -29.398
  310    HA3  GLY  41           HA1      GLY  41  24.713  -6.403 -28.248
  311    H    GLU  42           HN       GLU  42  26.857  -7.346 -28.398
  312    HA   GLU  42           HA       GLU  42  27.316 -10.044 -27.558
  313    HB2  GLU  42           HB2      GLU  42  29.417  -7.888 -27.571
  314    HB3  GLU  42           HB1      GLU  42  29.589  -9.607 -27.926
  315    HG2  GLU  42           HG2      GLU  42  28.128  -9.256 -29.948
  316    HG3  GLU  42           HG1      GLU  42  28.199  -7.524 -29.630
  317    H    TRP  43           HN       TRP  43  27.694 -10.810 -25.580
  318    HA   TRP  43           HA       TRP  43  27.478  -8.959 -23.307
  319    HB2  TRP  43           HB2      TRP  43  27.135 -11.942 -23.614
  320    HB3  TRP  43           HB1      TRP  43  27.166 -11.144 -22.040
  321    HD1  TRP  43           HD1      TRP  43  25.096 -11.341 -25.261
  322    HE1  TRP  43           HE1      TRP  43  22.756 -10.366 -24.785
  323    HE3  TRP  43           HE3      TRP  43  25.833  -9.586 -20.537
  324    HZ2  TRP  43           HZ2      TRP  43  21.384  -9.027 -22.668
  325    HZ3  TRP  43           HZ3      TRP  43  23.999  -8.474 -19.309
  326    HH2  TRP  43           HH2      TRP  43  21.776  -8.184 -20.367
  327    H    THR  44           HN       THR  44  28.723  -9.343 -21.419
  328    HA   THR  44           HA       THR  44  31.232 -10.775 -21.580
  329    HB   THR  44           HB       THR  44  31.936  -8.765 -22.714
  330    HG1  THR  44           HG1      THR  44  32.588  -8.596 -19.961
  331   HG21  THR  44          HG21      THR  44  30.359  -7.396 -20.539
  332   HG22  THR  44          HG22      THR  44  30.267  -7.172 -22.287
  333   HG23  THR  44          HG23      THR  44  31.650  -6.548 -21.391
  334    H    TYR  45           HN       TYR  45  32.461 -10.417 -19.402
  335    HA   TYR  45           HA       TYR  45  31.053  -9.275 -17.220
  336    HB2  TYR  45           HB2      TYR  45  29.452 -10.983 -17.376
  337    HB3  TYR  45           HB1      TYR  45  30.656 -12.206 -17.751
  338    HD1  TYR  45           HD1      TYR  45  30.432  -9.628 -15.005
  339    HD2  TYR  45           HD2      TYR  45  30.688 -13.793 -16.036
  340    HE1  TYR  45           HE1      TYR  45  30.574 -10.222 -12.600
  341    HE2  TYR  45           HE2      TYR  45  30.831 -14.381 -13.637
  342    HH   TYR  45           HH       TYR  45  31.480 -13.326 -11.521
  343    H    ASP  46           HN       ASP  46  32.348  -9.014 -15.539
  344    HA   ASP  46           HA       ASP  46  34.807 -10.660 -15.338
  345    HB2  ASP  46           HB2      ASP  46  35.519  -8.494 -16.097
  346    HB3  ASP  46           HB1      ASP  46  34.455  -7.675 -14.956
  347    H    ASP  47           HN       ASP  47  34.538 -11.921 -13.572
  348    HA   ASP  47           HA       ASP  47  32.696 -11.357 -11.491
  349    HB2  ASP  47           HB2      ASP  47  33.438 -13.644 -12.081
  350    HB3  ASP  47           HB1      ASP  47  35.046 -13.261 -11.467
  351    H    ALA  48           HN       ALA  48  35.824 -10.202 -12.115
  352    HA   ALA  48           HA       ALA  48  36.586  -9.752  -9.366
  353    HB1  ALA  48           HB1      ALA  48  38.166 -10.063 -11.358
  354    HB2  ALA  48           HB2      ALA  48  38.543  -8.753 -10.240
  355    HB3  ALA  48           HB3      ALA  48  37.771  -8.398 -11.784
  356    H    THR  49           HN       THR  49  34.481  -8.175 -11.563
  357    HA   THR  49           HA       THR  49  34.528  -5.727  -9.876
  358    HB   THR  49           HB       THR  49  33.766  -4.562 -12.088
  359    HG1  THR  49           HG1      THR  49  34.983  -6.954 -12.985
  360   HG21  THR  49          HG21      THR  49  36.605  -5.520 -11.633
  361   HG22  THR  49          HG22      THR  49  35.879  -4.036 -11.017
  362   HG23  THR  49          HG23      THR  49  36.157  -4.230 -12.747
  363    H    LYS  50           HN       LYS  50  32.663  -8.360 -10.577
  364    HA   LYS  50           HA       LYS  50  30.365  -8.734 -10.623
  365    HB2  LYS  50           HB2      LYS  50  30.419  -6.287  -8.842
  366    HB3  LYS  50           HB1      LYS  50  29.164  -7.523  -8.882
  367    HG2  LYS  50           HG2      LYS  50  32.067  -8.112  -8.227
  368    HG3  LYS  50           HG1      LYS  50  30.856  -7.753  -7.003
  369    HD2  LYS  50           HD2      LYS  50  30.267  -9.945  -7.004
  370    HD3  LYS  50           HD1      LYS  50  29.671  -9.758  -8.645
  371    HE2  LYS  50           HE2      LYS  50  31.893 -10.327  -9.531
  372    HE3  LYS  50           HE1      LYS  50  32.521 -10.462  -7.887
  373    HZ1  LYS  50           HZ1      LYS  50  31.812 -12.600  -8.985
  374    HZ2  LYS  50           HZ2      LYS  50  30.211 -12.051  -8.841
  375    HZ3  LYS  50           HZ3      LYS  50  31.151 -12.302  -7.450
  376    H    THR  51           HN       THR  51  30.894  -7.552 -12.994
  377    HA   THR  51           HA       THR  51  28.598  -5.752 -13.345
  378    HB   THR  51           HB       THR  51  31.367  -4.953 -14.273
  379    HG1  THR  51           HG1      THR  51  31.058  -3.305 -12.684
  380   HG21  THR  51          HG21      THR  51  30.198  -2.807 -14.796
  381   HG22  THR  51          HG22      THR  51  28.667  -3.577 -14.381
  382   HG23  THR  51          HG23      THR  51  29.603  -4.161 -15.757
  383    H    PHE  52           HN       PHE  52  27.503  -6.177 -15.151
  384    HA   PHE  52           HA       PHE  52  28.785  -7.769 -17.303
  385    HB2  PHE  52           HB2      PHE  52  25.922  -7.565 -16.341
  386    HB3  PHE  52           HB1      PHE  52  26.358  -8.292 -17.886
  387    HD1  PHE  52           HD1      PHE  52  27.471  -8.439 -14.288
  388    HD2  PHE  52           HD2      PHE  52  26.657 -10.601 -17.915
  389    HE1  PHE  52           HE1      PHE  52  27.995 -10.571 -13.146
  390    HE2  PHE  52           HE2      PHE  52  27.181 -12.728 -16.762
  391    HZ   PHE  52           HZ       PHE  52  27.848 -12.714 -14.377
  392    H    THR  53           HN       THR  53  28.240  -7.129 -19.514
  393    HA   THR  53           HA       THR  53  26.812  -4.604 -19.868
  394    HB   THR  53           HB       THR  53  28.612  -3.464 -21.020
  395    HG1  THR  53           HG1      THR  53  30.729  -4.479 -20.885
  396   HG21  THR  53          HG21      THR  53  30.065  -2.967 -19.164
  397   HG22  THR  53          HG22      THR  53  29.717  -4.518 -18.405
  398   HG23  THR  53          HG23      THR  53  28.464  -3.285 -18.508
  399    H    VAL  54           HN       VAL  54  25.673  -4.621 -21.738
  400    HA   VAL  54           HA       VAL  54  26.393  -6.662 -23.779
  401    HB   VAL  54           HB       VAL  54  24.205  -7.016 -22.604
  402   HG11  VAL  54          HG11      VAL  54  23.798  -4.483 -22.425
  403   HG12  VAL  54          HG12      VAL  54  22.413  -5.485 -22.857
  404   HG13  VAL  54          HG13      VAL  54  23.262  -4.572 -24.102
  405   HG21  VAL  54          HG21      VAL  54  23.886  -6.278 -25.529
  406   HG22  VAL  54          HG22      VAL  54  22.976  -7.492 -24.631
  407   HG23  VAL  54          HG23      VAL  54  24.684  -7.751 -24.979
  408    H    THR  55           HN       THR  55  27.074  -5.882 -25.669
  409    HA   THR  55           HA       THR  55  26.321  -3.116 -26.457
  410    HB   THR  55           HB       THR  55  28.739  -3.488 -25.650
  411    HG1  THR  55           HG1      THR  55  29.427  -2.036 -27.158
  412   HG21  THR  55          HG21      THR  55  28.886  -5.673 -27.055
  413   HG22  THR  55          HG22      THR  55  30.278  -4.592 -27.052
  414   HG23  THR  55          HG23      THR  55  29.168  -4.596 -28.422
  415    H    GLU  56           HN       GLU  56  25.187  -3.041 -28.300
  416    HA   GLU  56           HA       GLU  56  25.483  -5.248 -30.262
  417    HB2  GLU  56           HB2      GLU  56  23.222  -4.212 -31.091
  418    HB3  GLU  56           HB1      GLU  56  23.228  -5.236 -29.654
  419    HG2  GLU  56           HG2      GLU  56  23.296  -3.285 -28.204
  420    HG3  GLU  56           HG1      GLU  56  23.415  -2.214 -29.601
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  26.585 -12.583  -3.010
    2    H2   MET   1           HT2      MET   1  25.353 -12.362  -4.159
    3    H3   MET   1           HT3      MET   1  25.248 -11.608  -2.641
    4    HA   MET   1           HA       MET   1  26.880 -10.071  -3.111
    5    HB2  MET   1           HB2      MET   1  28.718 -10.502  -4.427
    6    HB3  MET   1           HB1      MET   1  28.179 -12.169  -4.293
    7    HG2  MET   1           HG2      MET   1  26.752 -11.629  -6.425
    8    HG3  MET   1           HG1      MET   1  27.847 -10.257  -6.602
    9    HE1  MET   1           HE1      MET   1  27.871 -14.047  -5.624
   10    HE2  MET   1           HE2      MET   1  28.612 -14.698  -7.081
   11    HE3  MET   1           HE3      MET   1  27.104 -13.799  -7.197
   12    H    GLN   2           HN       GLN   2  27.109  -8.636  -5.348
   13    HA   GLN   2           HA       GLN   2  24.402  -8.541  -6.564
   14    HB2  GLN   2           HB2      GLN   2  26.068  -6.284  -5.442
   15    HB3  GLN   2           HB1      GLN   2  24.703  -6.027  -6.529
   16    HG2  GLN   2           HG2      GLN   2  23.209  -7.184  -4.965
   17    HG3  GLN   2           HG1      GLN   2  24.566  -7.506  -3.886
   18   HE21  GLN   2          HE21      GLN   2  25.499  -4.588  -4.872
   19   HE22  GLN   2          HE22      GLN   2  24.641  -3.580  -3.809
   20    H    TYR   3           HN       TYR   3  24.301  -8.165  -8.692
   21    HA   TYR   3           HA       TYR   3  26.834  -7.701 -10.175
   22    HB2  TYR   3           HB2      TYR   3  24.353  -9.262 -10.938
   23    HB3  TYR   3           HB1      TYR   3  25.652  -8.861 -12.061
   24    HD1  TYR   3           HD1      TYR   3  28.097  -9.435 -11.170
   25    HD2  TYR   3           HD2      TYR   3  24.478 -11.313  -9.814
   26    HE1  TYR   3           HE1      TYR   3  29.401 -11.403 -10.411
   27    HE2  TYR   3           HE2      TYR   3  25.784 -13.275  -9.050
   28    HH   TYR   3           HH       TYR   3  29.278 -13.254  -9.003
   29    H    LYS   4           HN       LYS   4  26.818  -6.092 -11.714
   30    HA   LYS   4           HA       LYS   4  24.312  -4.502 -11.962
   31    HB2  LYS   4           HB2      LYS   4  26.173  -3.405 -10.665
   32    HB3  LYS   4           HB1      LYS   4  27.143  -3.452 -12.136
   33    HG2  LYS   4           HG2      LYS   4  25.431  -2.127 -13.318
   34    HG3  LYS   4           HG1      LYS   4  24.452  -2.077 -11.851
   35    HD2  LYS   4           HD2      LYS   4  26.129  -0.809 -10.672
   36    HD3  LYS   4           HD1      LYS   4  27.300  -1.044 -11.968
   37    HE2  LYS   4           HE2      LYS   4  26.490   1.147 -12.326
   38    HE3  LYS   4           HE1      LYS   4  25.580   0.172 -13.476
   39    HZ1  LYS   4           HZ1      LYS   4  23.790   0.028 -11.815
   40    HZ2  LYS   4           HZ2      LYS   4  24.093   1.623 -12.314
   41    HZ3  LYS   4           HZ3      LYS   4  24.657   1.080 -10.806
   42    H    LEU   5           HN       LEU   5  23.523  -4.318 -13.947
   43    HA   LEU   5           HA       LEU   5  25.194  -5.133 -16.235
   44    HB2  LEU   5           HB2      LEU   5  22.694  -5.971 -15.512
   45    HB3  LEU   5           HB1      LEU   5  22.279  -4.686 -16.631
   46    HG   LEU   5           HG       LEU   5  23.913  -7.174 -17.173
   47   HD11  LEU   5          HD11      LEU   5  22.179  -7.641 -18.759
   48   HD12  LEU   5          HD12      LEU   5  21.509  -6.023 -18.605
   49   HD13  LEU   5          HD13      LEU   5  21.379  -7.164 -17.267
   50   HD21  LEU   5          HD21      LEU   5  23.904  -6.050 -19.599
   51   HD22  LEU   5          HD22      LEU   5  25.178  -5.684 -18.451
   52   HD23  LEU   5          HD23      LEU   5  23.847  -4.557 -18.662
   53    H    ILE   6           HN       ILE   6  25.803  -3.646 -17.733
   54    HA   ILE   6           HA       ILE   6  24.662  -0.918 -17.518
   55    HB   ILE   6           HB       ILE   6  27.141  -1.801 -19.005
   56   HG12  ILE   6          HG12      ILE   6  27.523  -2.189 -16.644
   57   HG13  ILE   6          HG11      ILE   6  28.343  -0.694 -17.083
   58   HG21  ILE   6          HG21      ILE   6  27.611   0.657 -18.920
   59   HG22  ILE   6          HG22      ILE   6  26.005   0.898 -18.230
   60   HG23  ILE   6          HG23      ILE   6  26.176   0.252 -19.862
   61   HD11  ILE   6          HD11      ILE   6  27.243  -0.115 -15.095
   62   HD12  ILE   6          HD12      ILE   6  25.809  -1.060 -15.495
   63   HD13  ILE   6          HD13      ILE   6  26.124   0.463 -16.327
   64    H    LEU   7           HN       LEU   7  23.353  -0.212 -18.991
   65    HA   LEU   7           HA       LEU   7  22.819  -1.864 -21.348
   66    HB2  LEU   7           HB2      LEU   7  21.346   0.328 -19.903
   67    HB3  LEU   7           HB1      LEU   7  20.920  -0.057 -21.567
   68    HG   LEU   7           HG       LEU   7  20.782  -2.532 -20.706
   69   HD11  LEU   7          HD11      LEU   7  21.767  -1.732 -18.420
   70   HD12  LEU   7          HD12      LEU   7  20.440  -2.885 -18.417
   71   HD13  LEU   7          HD13      LEU   7  20.128  -1.180 -18.091
   72   HD21  LEU   7          HD21      LEU   7  18.411  -2.008 -19.833
   73   HD22  LEU   7          HD22      LEU   7  18.804  -1.486 -21.469
   74   HD23  LEU   7          HD23      LEU   7  18.805  -0.318 -20.148
   75    H    ASN   8           HN       ASN   8  23.962  -1.471 -23.073
   76    HA   ASN   8           HA       ASN   8  24.285   1.309 -23.998
   77    HB2  ASN   8           HB2      ASN   8  26.554   0.489 -24.920
   78    HB3  ASN   8           HB1      ASN   8  26.458   0.897 -23.210
   79   HD21  ASN   8          HD21      ASN   8  28.253  -1.082 -24.665
   80   HD22  ASN   8          HD22      ASN   8  28.010  -2.554 -23.855
   81    H    GLY   9           HN       GLY   9  22.506   0.899 -25.363
   82    HA2  GLY   9           HA2      GLY   9  23.073  -0.966 -27.600
   83    HA3  GLY   9           HA1      GLY   9  21.464  -0.768 -26.921
   84    H    LYS  10           HN       LYS  10  20.769  -0.213 -29.060
   85    HA   LYS  10           HA       LYS  10  21.807   2.170 -30.316
   86    HB2  LYS  10           HB2      LYS  10  19.255   0.734 -31.049
   87    HB3  LYS  10           HB1      LYS  10  20.293   1.716 -32.084
   88    HG2  LYS  10           HG2      LYS  10  22.108   0.051 -31.832
   89    HG3  LYS  10           HG1      LYS  10  21.051  -0.938 -30.824
   90    HD2  LYS  10           HD2      LYS  10  19.405  -0.917 -32.789
   91    HD3  LYS  10           HD1      LYS  10  20.734  -0.275 -33.756
   92    HE2  LYS  10           HE2      LYS  10  22.103  -2.229 -33.245
   93    HE3  LYS  10           HE1      LYS  10  20.857  -2.855 -32.166
   94    HZ1  LYS  10           HZ1      LYS  10  19.591  -2.346 -34.557
   95    HZ2  LYS  10           HZ2      LYS  10  19.999  -3.867 -33.921
   96    HZ3  LYS  10           HZ3      LYS  10  21.059  -3.077 -34.988
   97    H    THR  11           HN       THR  11  18.684   1.334 -28.716
   98    HA   THR  11           HA       THR  11  18.257   4.244 -28.285
   99    HB   THR  11           HB       THR  11  15.824   3.815 -28.611
  100    HG1  THR  11           HG1      THR  11  16.177   1.467 -28.276
  101   HG21  THR  11          HG21      THR  11  15.954   3.732 -31.054
  102   HG22  THR  11          HG22      THR  11  17.588   3.075 -30.961
  103   HG23  THR  11          HG23      THR  11  17.266   4.721 -30.413
  104    H    LEU  12           HN       LEU  12  19.162   1.799 -26.562
  105    HA   LEU  12           HA       LEU  12  17.401   2.485 -24.304
  106    HB2  LEU  12           HB2      LEU  12  17.067   0.124 -25.629
  107    HB3  LEU  12           HB1      LEU  12  18.263  -0.367 -24.435
  108    HG   LEU  12           HG       LEU  12  15.544   0.875 -23.918
  109   HD11  LEU  12          HD11      LEU  12  15.932  -1.677 -24.390
  110   HD12  LEU  12          HD12      LEU  12  14.940  -1.200 -23.014
  111   HD13  LEU  12          HD13      LEU  12  16.611  -1.692 -22.761
  112   HD21  LEU  12          HD21      LEU  12  16.361   0.372 -21.439
  113   HD22  LEU  12          HD22      LEU  12  16.781   1.892 -22.213
  114   HD23  LEU  12          HD23      LEU  12  17.960   0.584 -22.144
  115    H    LYS  13           HN       LYS  13  18.779   3.527 -23.005
  116    HA   LYS  13           HA       LYS  13  21.278   2.155 -22.203
  117    HB2  LYS  13           HB2      LYS  13  20.856   5.002 -23.080
  118    HB3  LYS  13           HB1      LYS  13  22.103   4.649 -21.895
  119    HG2  LYS  13           HG2      LYS  13  23.512   4.062 -23.582
  120    HG3  LYS  13           HG1      LYS  13  22.458   2.722 -23.983
  121    HD2  LYS  13           HD2      LYS  13  21.948   5.514 -25.030
  122    HD3  LYS  13           HD1      LYS  13  22.996   4.372 -25.865
  123    HE2  LYS  13           HE2      LYS  13  20.066   3.973 -25.202
  124    HE3  LYS  13           HE1      LYS  13  20.761   4.203 -26.803
  125    HZ1  LYS  13           HZ1      LYS  13  21.204   1.902 -24.982
  126    HZ2  LYS  13           HZ2      LYS  13  22.071   2.154 -26.420
  127    HZ3  LYS  13           HZ3      LYS  13  20.394   1.886 -26.471
  128    H    GLY  14           HN       GLY  14  21.704   2.129 -20.057
  129    HA2  GLY  14           HA2      GLY  14  20.822   3.911 -18.109
  130    HA3  GLY  14           HA1      GLY  14  19.597   2.650 -18.224
  131    H    GLU  15           HN       GLU  15  20.119   2.005 -16.052
  132    HA   GLU  15           HA       GLU  15  22.507   0.261 -15.886
  133    HB2  GLU  15           HB2      GLU  15  21.470   1.919 -13.580
  134    HB3  GLU  15           HB1      GLU  15  22.933   0.939 -13.631
  135    HG2  GLU  15           HG2      GLU  15  22.488   3.284 -15.484
  136    HG3  GLU  15           HG1      GLU  15  23.255   3.450 -13.908
  137    H    THR  16           HN       THR  16  22.242  -1.567 -14.536
  138    HA   THR  16           HA       THR  16  19.610  -2.038 -13.335
  139    HB   THR  16           HB       THR  16  20.591  -4.248 -15.100
  140    HG1  THR  16           HG1      THR  16  19.489  -3.219 -16.858
  141   HG21  THR  16          HG21      THR  16  17.855  -3.081 -14.504
  142   HG22  THR  16          HG22      THR  16  18.548  -4.522 -13.760
  143   HG23  THR  16          HG23      THR  16  18.158  -4.517 -15.481
  144    H    THR  17           HN       THR  17  19.697  -3.466 -11.594
  145    HA   THR  17           HA       THR  17  22.164  -4.993 -11.168
  146    HB   THR  17           HB       THR  17  21.130  -3.280  -8.919
  147    HG1  THR  17           HG1      THR  17  22.471  -1.677  -9.554
  148   HG21  THR  17          HG21      THR  17  22.748  -5.244  -8.610
  149   HG22  THR  17          HG22      THR  17  23.277  -3.693  -7.970
  150   HG23  THR  17          HG23      THR  17  23.924  -4.280  -9.501
  151    H    THR  18           HN       THR  18  21.993  -6.639  -9.594
  152    HA   THR  18           HA       THR  18  19.423  -7.207  -8.374
  153    HB   THR  18           HB       THR  18  19.211  -8.065 -10.728
  154    HG1  THR  18           HG1      THR  18  18.021  -9.032  -9.114
  155   HG21  THR  18          HG21      THR  18  21.202 -10.174  -9.895
  156   HG22  THR  18          HG22      THR  18  21.705  -8.734 -10.781
  157   HG23  THR  18          HG23      THR  18  20.552  -9.855 -11.503
  158    H    GLU  19           HN       GLU  19  19.525  -8.909  -6.846
  159    HA   GLU  19           HA       GLU  19  22.267  -9.487  -5.886
  160    HB2  GLU  19           HB2      GLU  19  20.624  -8.310  -4.372
  161    HB3  GLU  19           HB1      GLU  19  19.623  -9.755  -4.428
  162    HG2  GLU  19           HG2      GLU  19  20.836 -10.254  -2.520
  163    HG3  GLU  19           HG1      GLU  19  21.939 -10.934  -3.711
  164    H    ALA  20           HN       ALA  20  22.927 -11.370  -6.787
  165    HA   ALA  20           HA       ALA  20  21.142 -13.735  -6.555
  166    HB1  ALA  20           HB1      ALA  20  21.889 -14.549  -8.653
  167    HB2  ALA  20           HB2      ALA  20  23.186 -13.358  -8.748
  168    HB3  ALA  20           HB3      ALA  20  21.507 -12.852  -8.930
  169    H    VAL  21           HN       VAL  21  22.271 -15.776  -6.404
  170    HA   VAL  21           HA       VAL  21  24.556 -15.605  -4.633
  171    HB   VAL  21           HB       VAL  21  23.026 -17.266  -3.982
  172   HG11  VAL  21          HG11      VAL  21  21.600 -17.363  -5.898
  173   HG12  VAL  21          HG12      VAL  21  22.208 -19.000  -5.657
  174   HG13  VAL  21          HG13      VAL  21  22.896 -17.982  -6.918
  175   HG21  VAL  21          HG21      VAL  21  25.462 -18.063  -4.248
  176   HG22  VAL  21          HG22      VAL  21  24.904 -18.917  -5.686
  177   HG23  VAL  21          HG23      VAL  21  24.229 -19.315  -4.106
  178    H    ASP  22           HN       ASP  22  23.823 -16.771  -7.887
  179    HA   ASP  22           HA       ASP  22  26.736 -16.865  -8.462
  180    HB2  ASP  22           HB2      ASP  22  26.228 -18.741 -10.029
  181    HB3  ASP  22           HB1      ASP  22  25.958 -19.149  -8.335
  182    H    ALA  23           HN       ALA  23  27.253 -16.586 -10.740
  183    HA   ALA  23           HA       ALA  23  25.809 -14.380 -11.867
  184    HB1  ALA  23           HB1      ALA  23  28.207 -15.990 -12.712
  185    HB2  ALA  23           HB2      ALA  23  28.134 -14.303 -12.208
  186    HB3  ALA  23           HB3      ALA  23  27.500 -14.781 -13.783
  187    H    ALA  24           HN       ALA  24  26.059 -17.825 -12.555
  188    HA   ALA  24           HA       ALA  24  24.900 -17.876 -15.099
  189    HB1  ALA  24           HB1      ALA  24  26.023 -19.793 -13.879
  190    HB2  ALA  24           HB2      ALA  24  24.547 -20.210 -14.748
  191    HB3  ALA  24           HB3      ALA  24  24.512 -20.010 -12.995
  192    H    THR  25           HN       THR  25  23.284 -17.810 -11.890
  193    HA   THR  25           HA       THR  25  20.678 -18.254 -13.018
  194    HB   THR  25           HB       THR  25  21.493 -18.706 -10.582
  195    HG1  THR  25           HG1      THR  25  19.443 -18.968 -10.213
  196   HG21  THR  25          HG21      THR  25  21.227 -16.987  -8.985
  197   HG22  THR  25          HG22      THR  25  20.343 -15.956 -10.109
  198   HG23  THR  25          HG23      THR  25  22.078 -16.191 -10.307
  199    H    ALA  26           HN       ALA  26  22.492 -15.385 -11.995
  200    HA   ALA  26           HA       ALA  26  20.356 -13.541 -12.341
  201    HB1  ALA  26           HB1      ALA  26  23.297 -12.906 -12.585
  202    HB2  ALA  26           HB2      ALA  26  22.502 -13.167 -11.033
  203    HB3  ALA  26           HB3      ALA  26  21.995 -11.834 -12.071
  204    H    GLU  27           HN       GLU  27  22.838 -14.798 -14.496
  205    HA   GLU  27           HA       GLU  27  22.550 -12.970 -16.599
  206    HB2  GLU  27           HB2      GLU  27  24.090 -14.277 -17.649
  207    HB3  GLU  27           HB1      GLU  27  24.139 -15.169 -16.136
  208    HG2  GLU  27           HG2      GLU  27  22.275 -16.633 -17.059
  209    HG3  GLU  27           HG1      GLU  27  22.525 -15.837 -18.611
  210    H    LYS  28           HN       LYS  28  20.567 -15.719 -15.696
  211    HA   LYS  28           HA       LYS  28  19.234 -16.145 -18.120
  212    HB2  LYS  28           HB2      LYS  28  18.110 -16.362 -15.314
  213    HB3  LYS  28           HB1      LYS  28  17.408 -17.086 -16.761
  214    HG2  LYS  28           HG2      LYS  28  19.486 -18.398 -17.098
  215    HG3  LYS  28           HG1      LYS  28  20.150 -17.700 -15.621
  216    HD2  LYS  28           HD2      LYS  28  18.181 -18.639 -14.364
  217    HD3  LYS  28           HD1      LYS  28  17.683 -19.456 -15.845
  218    HE2  LYS  28           HE2      LYS  28  19.577 -20.871 -15.847
  219    HE3  LYS  28           HE1      LYS  28  20.472 -19.833 -14.742
  220    HZ1  LYS  28           HZ1      LYS  28  19.664 -21.811 -13.591
  221    HZ2  LYS  28           HZ2      LYS  28  18.064 -21.461 -14.037
  222    HZ3  LYS  28           HZ3      LYS  28  18.893 -20.434 -12.969
  223    H    VAL  29           HN       VAL  29  18.385 -13.980 -15.432
  224    HA   VAL  29           HA       VAL  29  16.128 -12.849 -16.784
  225    HB   VAL  29           HB       VAL  29  17.677 -11.644 -14.487
  226   HG11  VAL  29          HG11      VAL  29  15.444 -10.717 -13.933
  227   HG12  VAL  29          HG12      VAL  29  14.785 -11.473 -15.385
  228   HG13  VAL  29          HG13      VAL  29  15.993 -10.194 -15.524
  229   HG21  VAL  29          HG21      VAL  29  16.053 -12.901 -13.050
  230   HG22  VAL  29          HG22      VAL  29  17.163 -13.959 -13.920
  231   HG23  VAL  29          HG23      VAL  29  15.505 -13.763 -14.488
  232    H    PHE  30           HN       PHE  30  19.376 -11.652 -16.023
  233    HA   PHE  30           HA       PHE  30  19.195  -9.170 -17.318
  234    HB2  PHE  30           HB2      PHE  30  21.453 -10.949 -16.472
  235    HB3  PHE  30           HB1      PHE  30  21.789  -9.478 -17.370
  236    HD1  PHE  30           HD1      PHE  30  18.866  -9.558 -15.070
  237    HD2  PHE  30           HD2      PHE  30  23.040  -8.577 -15.473
  238    HE1  PHE  30           HE1      PHE  30  18.755  -8.229 -13.004
  239    HE2  PHE  30           HE2      PHE  30  22.914  -7.250 -13.386
  240    HZ   PHE  30           HZ       PHE  30  20.776  -7.073 -12.153
  241    H    LYS  31           HN       LYS  31  20.381 -12.310 -18.548
  242    HA   LYS  31           HA       LYS  31  21.218 -11.275 -21.053
  243    HB2  LYS  31           HB2      LYS  31  21.945 -13.478 -20.119
  244    HB3  LYS  31           HB1      LYS  31  20.328 -14.102 -20.444
  245    HG2  LYS  31           HG2      LYS  31  20.578 -13.900 -22.774
  246    HG3  LYS  31           HG1      LYS  31  21.942 -12.795 -22.634
  247    HD2  LYS  31           HD2      LYS  31  22.196 -15.577 -21.500
  248    HD3  LYS  31           HD1      LYS  31  22.353 -15.341 -23.239
  249    HE2  LYS  31           HE2      LYS  31  24.270 -14.013 -23.021
  250    HE3  LYS  31           HE1      LYS  31  23.917 -13.594 -21.347
  251    HZ1  LYS  31           HZ1      LYS  31  25.005 -16.102 -22.437
  252    HZ2  LYS  31           HZ2      LYS  31  24.180 -16.105 -20.951
  253    HZ3  LYS  31           HZ3      LYS  31  25.578 -15.160 -21.148
  254    H    GLN  32           HN       GLN  32  18.234 -12.898 -20.015
  255    HA   GLN  32           HA       GLN  32  16.974 -12.696 -22.579
  256    HB2  GLN  32           HB2      GLN  32  15.902 -13.287 -19.816
  257    HB3  GLN  32           HB1      GLN  32  14.921 -13.341 -21.281
  258    HG2  GLN  32           HG2      GLN  32  16.362 -15.054 -22.239
  259    HG3  GLN  32           HG1      GLN  32  17.458 -14.945 -20.863
  260   HE21  GLN  32          HE21      GLN  32  17.148 -16.707 -19.487
  261   HE22  GLN  32          HE22      GLN  32  15.642 -17.398 -19.119
  262    H    TYR  33           HN       TYR  33  17.052 -10.714 -19.679
  263    HA   TYR  33           HA       TYR  33  14.833  -9.082 -20.191
  264    HB2  TYR  33           HB2      TYR  33  15.805  -8.999 -18.030
  265    HB3  TYR  33           HB1      TYR  33  17.401  -8.620 -18.679
  266    HD1  TYR  33           HD2      TYR  33  13.921  -7.316 -18.354
  267    HD2  TYR  33           HD1      TYR  33  18.056  -6.370 -19.034
  268    HE1  TYR  33           HE2      TYR  33  13.396  -4.899 -18.188
  269    HE2  TYR  33           HE1      TYR  33  17.530  -3.953 -18.867
  270    HH   TYR  33           HH       TYR  33  15.414  -2.503 -19.241
  271    H    ALA  34           HN       ALA  34  18.256  -8.649 -21.140
  272    HA   ALA  34           HA       ALA  34  17.922  -6.139 -22.370
  273    HB1  ALA  34           HB1      ALA  34  20.086  -7.589 -21.841
  274    HB2  ALA  34           HB2      ALA  34  20.097  -6.388 -23.131
  275    HB3  ALA  34           HB3      ALA  34  19.881  -8.095 -23.517
  276    H    ASN  35           HN       ASN  35  17.405  -9.431 -23.591
  277    HA   ASN  35           HA       ASN  35  16.998  -8.637 -26.305
  278    HB2  ASN  35           HB2      ASN  35  17.563 -10.977 -25.419
  279    HB3  ASN  35           HB1      ASN  35  15.856 -11.106 -25.001
  280   HD21  ASN  35          HD21      ASN  35  14.290 -11.230 -26.775
  281   HD22  ASN  35          HD22      ASN  35  14.790 -11.495 -28.376
  282    H    ASP  36           HN       ASP  36  14.864  -9.335 -23.557
  283    HA   ASP  36           HA       ASP  36  12.426  -8.923 -24.944
  284    HB2  ASP  36           HB2      ASP  36  12.857  -8.549 -21.984
  285    HB3  ASP  36           HB1      ASP  36  11.385  -9.052 -22.814
  286    H    ASN  37           HN       ASN  37  14.610  -6.711 -23.235
  287    HA   ASN  37           HA       ASN  37  12.684  -4.564 -23.252
  288    HB2  ASN  37           HB2      ASN  37  14.311  -3.269 -22.163
  289    HB3  ASN  37           HB1      ASN  37  14.533  -4.898 -21.544
  290   HD21  ASN  37          HD21      ASN  37  16.758  -3.710 -21.072
  291   HD22  ASN  37          HD22      ASN  37  17.948  -3.902 -22.266
  292    H    GLY  38           HN       GLY  38  15.108  -5.740 -25.461
  293    HA2  GLY  38           HA2      GLY  38  14.559  -4.914 -27.796
  294    HA3  GLY  38           HA1      GLY  38  14.780  -3.304 -27.130
  295    H    VAL  39           HN       VAL  39  17.094  -3.711 -25.562
  296    HA   VAL  39           HA       VAL  39  19.066  -3.700 -27.677
  297    HB   VAL  39           HB       VAL  39  19.354  -2.013 -26.069
  298   HG11  VAL  39          HG11      VAL  39  19.019  -4.199 -24.006
  299   HG12  VAL  39          HG12      VAL  39  17.988  -2.798 -24.276
  300   HG13  VAL  39          HG13      VAL  39  19.607  -2.586 -23.613
  301   HG21  VAL  39          HG21      VAL  39  21.556  -2.388 -25.223
  302   HG22  VAL  39          HG22      VAL  39  21.439  -3.342 -26.701
  303   HG23  VAL  39          HG23      VAL  39  21.296  -4.128 -25.132
  304    H    ASP  40           HN       ASP  40  19.793  -5.540 -28.471
  305    HA   ASP  40           HA       ASP  40  20.739  -7.651 -26.608
  306    HB2  ASP  40           HB2      ASP  40  18.576  -8.156 -27.968
  307    HB3  ASP  40           HB1      ASP  40  19.653  -8.269 -29.356
  308    H    GLY  41           HN       GLY  41  22.971  -7.547 -26.742
  309    HA2  GLY  41           HA2      GLY  41  24.154  -7.585 -29.455
  310    HA3  GLY  41           HA1      GLY  41  24.676  -6.347 -28.327
  311    H    GLU  42           HN       GLU  42  26.837  -7.174 -28.491
  312    HA   GLU  42           HA       GLU  42  27.453  -9.862 -27.722
  313    HB2  GLU  42           HB2      GLU  42  29.427  -7.587 -27.682
  314    HB3  GLU  42           HB1      GLU  42  29.697  -9.283 -28.085
  315    HG2  GLU  42           HG2      GLU  42  28.150  -8.928 -30.075
  316    HG3  GLU  42           HG1      GLU  42  28.244  -7.202 -29.731
  317    H    TRP  43           HN       TRP  43  28.174 -10.617 -25.774
  318    HA   TRP  43           HA       TRP  43  27.693  -8.851 -23.457
  319    HB2  TRP  43           HB2      TRP  43  27.663 -11.848 -23.804
  320    HB3  TRP  43           HB1      TRP  43  27.549 -11.052 -22.232
  321    HD1  TRP  43           HD1      TRP  43  25.639 -11.431 -25.543
  322    HE1  TRP  43           HE1      TRP  43  23.192 -10.717 -25.152
  323    HE3  TRP  43           HE3      TRP  43  25.997  -9.682 -20.774
  324    HZ2  TRP  43           HZ2      TRP  43  21.601  -9.579 -23.076
  325    HZ3  TRP  43           HZ3      TRP  43  24.009  -8.795 -19.610
  326    HH2  TRP  43           HH2      TRP  43  21.806  -8.738 -20.755
  327    H    THR  44           HN       THR  44  28.927  -9.172 -21.564
  328    HA   THR  44           HA       THR  44  31.573 -10.337 -21.701
  329    HB   THR  44           HB       THR  44  32.098  -8.223 -22.746
  330    HG1  THR  44           HG1      THR  44  33.124  -7.208 -20.694
  331   HG21  THR  44          HG21      THR  44  31.553  -6.107 -21.294
  332   HG22  THR  44          HG22      THR  44  30.285  -7.119 -20.606
  333   HG23  THR  44          HG23      THR  44  30.304  -6.781 -22.337
  334    H    TYR  45           HN       TYR  45  32.665 -10.090 -19.493
  335    HA   TYR  45           HA       TYR  45  31.215  -9.046 -17.304
  336    HB2  TYR  45           HB2      TYR  45  29.587 -10.714 -17.533
  337    HB3  TYR  45           HB1      TYR  45  30.765 -11.938 -17.982
  338    HD1  TYR  45           HD2      TYR  45  30.797  -9.536 -15.085
  339    HD2  TYR  45           HD1      TYR  45  30.558 -13.630 -16.369
  340    HE1  TYR  45           HE2      TYR  45  30.933 -10.289 -12.731
  341    HE2  TYR  45           HE1      TYR  45  30.691 -14.377 -14.012
  342    HH   TYR  45           HH       TYR  45  30.239 -13.493 -11.780
  343    H    ASP  46           HN       ASP  46  32.478  -8.860 -15.592
  344    HA   ASP  46           HA       ASP  46  34.903 -10.555 -15.387
  345    HB2  ASP  46           HB2      ASP  46  35.674  -8.385 -16.066
  346    HB3  ASP  46           HB1      ASP  46  34.595  -7.576 -14.929
  347    H    ASP  47           HN       ASP  47  34.580 -11.860 -13.662
  348    HA   ASP  47           HA       ASP  47  32.700 -11.342 -11.607
  349    HB2  ASP  47           HB2      ASP  47  33.398 -13.615 -12.204
  350    HB3  ASP  47           HB1      ASP  47  35.033 -13.268 -11.644
  351    H    ALA  48           HN       ALA  48  35.868 -10.207 -12.112
  352    HA   ALA  48           HA       ALA  48  36.552  -9.835  -9.331
  353    HB1  ALA  48           HB1      ALA  48  38.289 -10.136 -11.051
  354    HB2  ALA  48           HB2      ALA  48  38.479  -8.601 -10.205
  355    HB3  ALA  48           HB3      ALA  48  37.780  -8.636 -11.824
  356    H    THR  49           HN       THR  49  34.549  -8.176 -11.556
  357    HA   THR  49           HA       THR  49  34.527  -5.786  -9.792
  358    HB   THR  49           HB       THR  49  33.824  -4.560 -11.994
  359    HG1  THR  49           HG1      THR  49  34.712  -7.037 -12.845
  360   HG21  THR  49          HG21      THR  49  36.319  -4.351 -12.619
  361   HG22  THR  49          HG22      THR  49  36.613  -5.462 -11.281
  362   HG23  THR  49          HG23      THR  49  35.853  -3.900 -10.979
  363    H    LYS  50           HN       LYS  50  32.802  -8.423 -10.683
  364    HA   LYS  50           HA       LYS  50  30.540  -8.910 -10.905
  365    HB2  LYS  50           HB2      LYS  50  30.238  -6.734  -8.835
  366    HB3  LYS  50           HB1      LYS  50  29.264  -8.189  -9.028
  367    HG2  LYS  50           HG2      LYS  50  32.218  -8.216  -8.324
  368    HG3  LYS  50           HG1      LYS  50  30.920  -8.322  -7.139
  369    HD2  LYS  50           HD2      LYS  50  30.048 -10.320  -8.453
  370    HD3  LYS  50           HD1      LYS  50  31.570 -10.290  -9.342
  371    HE2  LYS  50           HE2      LYS  50  32.817 -10.530  -7.234
  372    HE3  LYS  50           HE1      LYS  50  31.302 -10.545  -6.332
  373    HZ1  LYS  50           HZ1      LYS  50  31.566 -12.759  -6.595
  374    HZ2  LYS  50           HZ2      LYS  50  32.489 -12.610  -8.014
  375    HZ3  LYS  50           HZ3      LYS  50  30.798 -12.454  -8.076
  376    H    THR  51           HN       THR  51  31.035  -7.461 -13.064
  377    HA   THR  51           HA       THR  51  28.686  -5.689 -13.278
  378    HB   THR  51           HB       THR  51  31.486  -4.892 -14.123
  379    HG1  THR  51           HG1      THR  51  29.739  -3.562 -12.356
  380   HG21  THR  51          HG21      THR  51  30.296  -2.730 -14.723
  381   HG22  THR  51          HG22      THR  51  28.778  -3.612 -14.552
  382   HG23  THR  51          HG23      THR  51  29.945  -4.095 -15.784
  383    H    PHE  52           HN       PHE  52  27.528  -6.151 -15.049
  384    HA   PHE  52           HA       PHE  52  28.805  -7.648 -17.265
  385    HB2  PHE  52           HB2      PHE  52  25.988  -7.542 -16.185
  386    HB3  PHE  52           HB1      PHE  52  26.351  -8.202 -17.780
  387    HD1  PHE  52           HD1      PHE  52  27.634  -8.432 -14.247
  388    HD2  PHE  52           HD2      PHE  52  26.757 -10.497 -17.914
  389    HE1  PHE  52           HE1      PHE  52  28.299 -10.576 -13.203
  390    HE2  PHE  52           HE2      PHE  52  27.423 -12.640 -16.864
  391    HZ   PHE  52           HZ       PHE  52  28.196 -12.678 -14.509
  392    H    THR  53           HN       THR  53  28.220  -7.012 -19.441
  393    HA   THR  53           HA       THR  53  26.692  -4.551 -19.791
  394    HB   THR  53           HB       THR  53  28.362  -3.206 -20.735
  395    HG1  THR  53           HG1      THR  53  29.942  -4.017 -21.821
  396   HG21  THR  53          HG21      THR  53  28.691  -3.376 -18.287
  397   HG22  THR  53          HG22      THR  53  30.213  -3.100 -19.126
  398   HG23  THR  53          HG23      THR  53  29.814  -4.712 -18.537
  399    H    VAL  54           HN       VAL  54  25.530  -4.684 -21.650
  400    HA   VAL  54           HA       VAL  54  26.417  -6.654 -23.694
  401    HB   VAL  54           HB       VAL  54  24.268  -7.220 -22.565
  402   HG11  VAL  54          HG11      VAL  54  23.671  -4.747 -22.251
  403   HG12  VAL  54          HG12      VAL  54  22.359  -5.816 -22.750
  404   HG13  VAL  54          HG13      VAL  54  23.146  -4.776 -23.933
  405   HG21  VAL  54          HG21      VAL  54  24.708  -7.902 -24.918
  406   HG22  VAL  54          HG22      VAL  54  23.984  -6.395 -25.478
  407   HG23  VAL  54          HG23      VAL  54  22.993  -7.591 -24.643
  408    H    THR  55           HN       THR  55  27.057  -5.803 -25.579
  409    HA   THR  55           HA       THR  55  26.106  -3.085 -26.329
  410    HB   THR  55           HB       THR  55  28.559  -3.376 -25.500
  411    HG1  THR  55           HG1      THR  55  28.972  -2.150 -27.776
  412   HG21  THR  55          HG21      THR  55  28.908  -5.407 -27.023
  413   HG22  THR  55          HG22      THR  55  30.165  -4.170 -27.067
  414   HG23  THR  55          HG23      THR  55  28.969  -4.259 -28.361
  415    H    GLU  56           HN       GLU  56  25.071  -2.977 -28.223
  416    HA   GLU  56           HA       GLU  56  25.440  -5.163 -30.196
  417    HB2  GLU  56           HB2      GLU  56  23.199  -4.122 -31.081
  418    HB3  GLU  56           HB1      GLU  56  23.165  -5.164 -29.662
  419    HG2  GLU  56           HG2      GLU  56  23.226  -3.196 -28.192
  420    HG3  GLU  56           HG1      GLU  56  23.284  -2.138 -29.602
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  25.280 -12.282  -2.553
    2    H2   MET   1           HT2      MET   1  26.264 -13.115  -3.661
    3    H3   MET   1           HT3      MET   1  24.720 -12.579  -4.126
    4    HA   MET   1           HA       MET   1  26.217 -10.402  -3.152
    5    HB2  MET   1           HB2      MET   1  28.238 -10.535  -4.240
    6    HB3  MET   1           HB1      MET   1  27.936 -12.265  -4.185
    7    HG2  MET   1           HG2      MET   1  26.685 -11.831  -6.479
    8    HG3  MET   1           HG1      MET   1  27.668 -10.366  -6.506
    9    HE1  MET   1           HE1      MET   1  27.310 -13.951  -7.203
   10    HE2  MET   1           HE2      MET   1  27.891 -14.150  -5.553
   11    HE3  MET   1           HE3      MET   1  28.870 -14.721  -6.898
   12    H    GLN   2           HN       GLN   2  26.442  -8.863  -5.268
   13    HA   GLN   2           HA       GLN   2  23.963  -9.180  -6.868
   14    HB2  GLN   2           HB2      GLN   2  23.502  -6.824  -6.633
   15    HB3  GLN   2           HB1      GLN   2  23.687  -7.515  -5.022
   16    HG2  GLN   2           HG2      GLN   2  26.099  -6.765  -5.071
   17    HG3  GLN   2           HG1      GLN   2  25.737  -5.903  -6.566
   18   HE21  GLN   2          HE21      GLN   2  23.037  -5.965  -4.403
   19   HE22  GLN   2          HE22      GLN   2  23.233  -4.403  -3.771
   20    H    TYR   3           HN       TYR   3  24.059  -8.580  -8.975
   21    HA   TYR   3           HA       TYR   3  26.706  -7.739 -10.033
   22    HB2  TYR   3           HB2      TYR   3  24.548  -9.461 -11.278
   23    HB3  TYR   3           HB1      TYR   3  25.981  -8.883 -12.129
   24    HD1  TYR   3           HD1      TYR   3  28.275  -9.506 -11.233
   25    HD2  TYR   3           HD2      TYR   3  24.654 -11.371  -9.872
   26    HE1  TYR   3           HE1      TYR   3  29.588 -11.414 -10.352
   27    HE2  TYR   3           HE2      TYR   3  25.967 -13.277  -8.987
   28    HH   TYR   3           HH       TYR   3  29.511 -13.246  -9.040
   29    H    LYS   4           HN       LYS   4  26.721  -6.181 -11.677
   30    HA   LYS   4           HA       LYS   4  24.166  -4.705 -12.067
   31    HB2  LYS   4           HB2      LYS   4  25.931  -3.541 -10.666
   32    HB3  LYS   4           HB1      LYS   4  26.942  -3.505 -12.110
   33    HG2  LYS   4           HG2      LYS   4  25.164  -2.273 -13.316
   34    HG3  LYS   4           HG1      LYS   4  24.174  -2.281 -11.854
   35    HD2  LYS   4           HD2      LYS   4  25.791  -0.948 -10.655
   36    HD3  LYS   4           HD1      LYS   4  26.969  -1.106 -11.956
   37    HE2  LYS   4           HE2      LYS   4  26.064   1.036 -12.312
   38    HE3  LYS   4           HE1      LYS   4  25.154   0.033 -13.439
   39    HZ1  LYS   4           HZ1      LYS   4  23.461  -0.204 -11.635
   40    HZ2  LYS   4           HZ2      LYS   4  23.604   1.361 -12.282
   41    HZ3  LYS   4           HZ3      LYS   4  24.293   0.995 -10.772
   42    H    LEU   5           HN       LEU   5  23.495  -4.536 -14.083
   43    HA   LEU   5           HA       LEU   5  25.347  -5.175 -16.294
   44    HB2  LEU   5           HB2      LEU   5  23.596  -6.782 -16.188
   45    HB3  LEU   5           HB1      LEU   5  22.381  -5.551 -15.923
   46    HG   LEU   5           HG       LEU   5  22.440  -6.583 -18.243
   47   HD11  LEU   5          HD11      LEU   5  21.476  -4.727 -19.083
   48   HD12  LEU   5          HD12      LEU   5  22.897  -3.731 -18.814
   49   HD13  LEU   5          HD13      LEU   5  21.770  -4.018 -17.501
   50   HD21  LEU   5          HD21      LEU   5  24.180  -6.203 -19.728
   51   HD22  LEU   5          HD22      LEU   5  25.066  -6.406 -18.224
   52   HD23  LEU   5          HD23      LEU   5  24.767  -4.796 -18.861
   53    H    ILE   6           HN       ILE   6  25.837  -3.584 -17.692
   54    HA   ILE   6           HA       ILE   6  24.406  -1.010 -17.466
   55    HB   ILE   6           HB       ILE   6  26.955  -1.589 -18.976
   56   HG12  ILE   6          HG12      ILE   6  27.373  -2.175 -16.663
   57   HG13  ILE   6          HG11      ILE   6  28.090  -0.594 -16.962
   58   HG21  ILE   6          HG21      ILE   6  27.262   0.845 -18.748
   59   HG22  ILE   6          HG22      ILE   6  25.718   0.955 -17.901
   60   HG23  ILE   6          HG23      ILE   6  25.762   0.462 -19.595
   61   HD11  ILE   6          HD11      ILE   6  25.563  -1.252 -15.451
   62   HD12  ILE   6          HD12      ILE   6  25.841   0.365 -16.095
   63   HD13  ILE   6          HD13      ILE   6  26.955  -0.314 -14.911
   64    H    LEU   7           HN       LEU   7  23.172  -0.243 -19.043
   65    HA   LEU   7           HA       LEU   7  22.769  -1.903 -21.425
   66    HB2  LEU   7           HB2      LEU   7  21.224   0.315 -20.094
   67    HB3  LEU   7           HB1      LEU   7  20.889  -0.105 -21.770
   68    HG   LEU   7           HG       LEU   7  20.697  -2.562 -20.859
   69   HD11  LEU   7          HD11      LEU   7  21.567  -1.825 -18.561
   70   HD12  LEU   7          HD12      LEU   7  20.096  -2.792 -18.565
   71   HD13  LEU   7          HD13      LEU   7  20.002  -1.047 -18.333
   72   HD21  LEU   7          HD21      LEU   7  18.785  -1.438 -21.761
   73   HD22  LEU   7          HD22      LEU   7  18.687  -0.354 -20.374
   74   HD23  LEU   7          HD23      LEU   7  18.294  -2.063 -20.188
   75    H    ASN   8           HN       ASN   8  24.046  -1.512 -23.068
   76    HA   ASN   8           HA       ASN   8  24.379   1.269 -24.006
   77    HB2  ASN   8           HB2      ASN   8  26.709   0.533 -24.748
   78    HB3  ASN   8           HB1      ASN   8  26.497   0.816 -23.021
   79   HD21  ASN   8          HD21      ASN   8  28.103  -1.238 -24.921
   80   HD22  ASN   8          HD22      ASN   8  27.933  -2.688 -24.055
   81    H    GLY   9           HN       GLY   9  22.696   0.796 -25.492
   82    HA2  GLY   9           HA2      GLY   9  23.458  -1.098 -27.646
   83    HA3  GLY   9           HA1      GLY   9  21.797  -0.883 -27.113
   84    H    LYS  10           HN       LYS  10  20.955  -0.175 -29.025
   85    HA   LYS  10           HA       LYS  10  22.207   2.048 -30.437
   86    HB2  LYS  10           HB2      LYS  10  19.585   0.709 -31.112
   87    HB3  LYS  10           HB1      LYS  10  20.643   1.631 -32.181
   88    HG2  LYS  10           HG2      LYS  10  22.397  -0.085 -31.937
   89    HG3  LYS  10           HG1      LYS  10  21.348  -1.008 -30.863
   90    HD2  LYS  10           HD2      LYS  10  19.640  -1.006 -32.775
   91    HD3  LYS  10           HD1      LYS  10  20.955  -0.437 -33.804
   92    HE2  LYS  10           HE2      LYS  10  22.285  -2.411 -33.266
   93    HE3  LYS  10           HE1      LYS  10  21.053  -2.963 -32.130
   94    HZ1  LYS  10           HZ1      LYS  10  20.984  -3.999 -34.397
   95    HZ2  LYS  10           HZ2      LYS  10  20.497  -2.488 -35.001
   96    HZ3  LYS  10           HZ3      LYS  10  19.527  -3.308 -33.872
   97    H    THR  11           HN       THR  11  18.965   1.466 -28.932
   98    HA   THR  11           HA       THR  11  18.774   4.403 -28.506
   99    HB   THR  11           HB       THR  11  16.333   4.187 -28.960
  100    HG1  THR  11           HG1      THR  11  15.599   2.244 -29.116
  101   HG21  THR  11          HG21      THR  11  17.765   5.044 -30.701
  102   HG22  THR  11          HG22      THR  11  16.623   3.924 -31.446
  103   HG23  THR  11          HG23      THR  11  18.286   3.417 -31.140
  104    H    LEU  12           HN       LEU  12  19.431   1.983 -26.710
  105    HA   LEU  12           HA       LEU  12  17.553   2.761 -24.578
  106    HB2  LEU  12           HB2      LEU  12  17.170   0.422 -25.875
  107    HB3  LEU  12           HB1      LEU  12  18.347  -0.123 -24.684
  108    HG   LEU  12           HG       LEU  12  15.687   1.228 -24.145
  109   HD11  LEU  12          HD11      LEU  12  16.007  -1.361 -24.669
  110   HD12  LEU  12          HD12      LEU  12  14.938  -0.826 -23.378
  111   HD13  LEU  12          HD13      LEU  12  16.555  -1.404 -22.993
  112   HD21  LEU  12          HD21      LEU  12  18.069   0.700 -22.369
  113   HD22  LEU  12          HD22      LEU  12  16.445   0.672 -21.690
  114   HD23  LEU  12          HD23      LEU  12  17.050   2.135 -22.453
  115    H    LYS  13           HN       LYS  13  18.739   3.564 -22.956
  116    HA   LYS  13           HA       LYS  13  21.210   2.165 -22.153
  117    HB2  LYS  13           HB2      LYS  13  20.962   5.125 -22.744
  118    HB3  LYS  13           HB1      LYS  13  22.250   4.456 -21.749
  119    HG2  LYS  13           HG2      LYS  13  23.374   4.296 -23.750
  120    HG3  LYS  13           HG1      LYS  13  22.453   2.810 -23.934
  121    HD2  LYS  13           HD2      LYS  13  20.630   4.482 -24.962
  122    HD3  LYS  13           HD1      LYS  13  22.056   5.476 -25.263
  123    HE2  LYS  13           HE2      LYS  13  21.727   4.114 -27.218
  124    HE3  LYS  13           HE1      LYS  13  23.108   3.436 -26.353
  125    HZ1  LYS  13           HZ1      LYS  13  21.269   1.858 -27.140
  126    HZ2  LYS  13           HZ2      LYS  13  20.377   2.463 -25.833
  127    HZ3  LYS  13           HZ3      LYS  13  21.855   1.677 -25.560
  128    H    GLY  14           HN       GLY  14  21.570   2.080 -20.016
  129    HA2  GLY  14           HA2      GLY  14  20.646   3.795 -18.027
  130    HA3  GLY  14           HA1      GLY  14  19.418   2.549 -18.229
  131    H    GLU  15           HN       GLU  15  19.887   1.785 -16.069
  132    HA   GLU  15           HA       GLU  15  22.278   0.039 -15.953
  133    HB2  GLU  15           HB2      GLU  15  21.205   1.524 -13.549
  134    HB3  GLU  15           HB1      GLU  15  22.701   0.604 -13.681
  135    HG2  GLU  15           HG2      GLU  15  22.169   3.057 -15.362
  136    HG3  GLU  15           HG1      GLU  15  22.908   3.146 -13.769
  137    H    THR  16           HN       THR  16  21.998  -1.872 -14.739
  138    HA   THR  16           HA       THR  16  19.355  -2.412 -13.586
  139    HB   THR  16           HB       THR  16  20.446  -4.348 -15.618
  140    HG1  THR  16           HG1      THR  16  18.978  -3.336 -17.078
  141   HG21  THR  16          HG21      THR  16  17.600  -3.797 -14.778
  142   HG22  THR  16          HG22      THR  16  18.629  -4.959 -13.941
  143   HG23  THR  16          HG23      THR  16  18.221  -5.206 -15.639
  144    H    THR  17           HN       THR  17  19.571  -3.576 -11.760
  145    HA   THR  17           HA       THR  17  21.981  -5.272 -11.430
  146    HB   THR  17           HB       THR  17  20.826  -3.700  -9.132
  147    HG1  THR  17           HG1      THR  17  21.389  -2.234 -10.793
  148   HG21  THR  17          HG21      THR  17  22.532  -5.653  -8.949
  149   HG22  THR  17          HG22      THR  17  22.891  -4.158  -8.094
  150   HG23  THR  17          HG23      THR  17  23.689  -4.508  -9.625
  151    H    THR  18           HN       THR  18  21.754  -6.983  -9.899
  152    HA   THR  18           HA       THR  18  19.070  -7.649  -8.961
  153    HB   THR  18           HB       THR  18  19.334  -8.553 -11.331
  154    HG1  THR  18           HG1      THR  18  19.072 -10.831  -9.927
  155   HG21  THR  18          HG21      THR  18  20.836 -10.295 -11.784
  156   HG22  THR  18          HG22      THR  18  21.100 -10.641 -10.076
  157   HG23  THR  18          HG23      THR  18  21.809  -9.200 -10.801
  158    H    GLU  19           HN       GLU  19  19.087  -9.287  -7.354
  159    HA   GLU  19           HA       GLU  19  21.730  -9.619  -6.066
  160    HB2  GLU  19           HB2      GLU  19  19.456  -8.590  -5.010
  161    HB3  GLU  19           HB1      GLU  19  19.194 -10.286  -4.616
  162    HG2  GLU  19           HG2      GLU  19  21.519  -8.526  -3.802
  163    HG3  GLU  19           HG1      GLU  19  20.357  -9.334  -2.752
  164    H    ALA  20           HN       ALA  20  22.622 -11.471  -6.764
  165    HA   ALA  20           HA       ALA  20  21.077 -13.977  -6.464
  166    HB1  ALA  20           HB1      ALA  20  21.022 -13.620  -8.821
  167    HB2  ALA  20           HB2      ALA  20  22.309 -14.793  -8.541
  168    HB3  ALA  20           HB3      ALA  20  22.708 -13.106  -8.853
  169    H    VAL  21           HN       VAL  21  22.472 -15.886  -6.351
  170    HA   VAL  21           HA       VAL  21  24.841 -15.341  -4.730
  171    HB   VAL  21           HB       VAL  21  23.493 -17.007  -3.763
  172   HG11  VAL  21          HG11      VAL  21  23.193 -18.095  -6.573
  173   HG12  VAL  21          HG12      VAL  21  21.937 -17.404  -5.547
  174   HG13  VAL  21          HG13      VAL  21  22.651 -18.962  -5.138
  175   HG21  VAL  21          HG21      VAL  21  25.343 -18.723  -5.434
  176   HG22  VAL  21          HG22      VAL  21  24.835 -18.970  -3.764
  177   HG23  VAL  21          HG23      VAL  21  25.955 -17.668  -4.162
  178    H    ASP  22           HN       ASP  22  23.917 -16.917  -7.759
  179    HA   ASP  22           HA       ASP  22  26.769 -17.339  -8.428
  180    HB2  ASP  22           HB2      ASP  22  25.102 -19.241  -8.569
  181    HB3  ASP  22           HB1      ASP  22  24.365 -18.381  -9.920
  182    H    ALA  23           HN       ALA  23  27.565 -16.763 -10.473
  183    HA   ALA  23           HA       ALA  23  26.645 -14.205 -11.404
  184    HB1  ALA  23           HB1      ALA  23  28.996 -14.544 -11.430
  185    HB2  ALA  23           HB2      ALA  23  28.495 -14.562 -13.120
  186    HB3  ALA  23           HB3      ALA  23  28.840 -16.078 -12.287
  187    H    ALA  24           HN       ALA  24  26.693 -17.499 -12.717
  188    HA   ALA  24           HA       ALA  24  25.647 -16.866 -15.263
  189    HB1  ALA  24           HB1      ALA  24  25.258 -19.238 -15.514
  190    HB2  ALA  24           HB2      ALA  24  25.340 -19.478 -13.768
  191    HB3  ALA  24           HB3      ALA  24  26.787 -19.012 -14.662
  192    H    THR  25           HN       THR  25  23.982 -17.753 -12.198
  193    HA   THR  25           HA       THR  25  21.407 -17.996 -13.345
  194    HB   THR  25           HB       THR  25  22.286 -18.683 -10.964
  195    HG1  THR  25           HG1      THR  25  19.934 -18.326 -12.074
  196   HG21  THR  25          HG21      THR  25  21.942 -17.184  -9.196
  197   HG22  THR  25          HG22      THR  25  20.885 -16.146 -10.151
  198   HG23  THR  25          HG23      THR  25  22.622 -16.134 -10.437
  199    H    ALA  26           HN       ALA  26  23.230 -15.229 -12.179
  200    HA   ALA  26           HA       ALA  26  21.073 -13.371 -12.178
  201    HB1  ALA  26           HB1      ALA  26  22.695 -11.727 -11.773
  202    HB2  ALA  26           HB2      ALA  26  23.943 -12.599 -12.664
  203    HB3  ALA  26           HB3      ALA  26  23.419 -13.179 -11.085
  204    H    GLU  27           HN       GLU  27  23.373 -14.442 -14.613
  205    HA   GLU  27           HA       GLU  27  22.882 -12.459 -16.551
  206    HB2  GLU  27           HB2      GLU  27  24.398 -13.636 -17.786
  207    HB3  GLU  27           HB1      GLU  27  24.578 -14.629 -16.345
  208    HG2  GLU  27           HG2      GLU  27  22.705 -16.096 -17.247
  209    HG3  GLU  27           HG1      GLU  27  22.814 -15.181 -18.749
  210    H    LYS  28           HN       LYS  28  21.072 -15.287 -15.629
  211    HA   LYS  28           HA       LYS  28  19.557 -15.705 -17.940
  212    HB2  LYS  28           HB2      LYS  28  18.730 -15.996 -15.040
  213    HB3  LYS  28           HB1      LYS  28  17.839 -16.654 -16.412
  214    HG2  LYS  28           HG2      LYS  28  19.924 -17.906 -17.069
  215    HG3  LYS  28           HG1      LYS  28  20.656 -17.371 -15.557
  216    HD2  LYS  28           HD2      LYS  28  18.770 -18.435 -14.308
  217    HD3  LYS  28           HD1      LYS  28  18.142 -19.049 -15.837
  218    HE2  LYS  28           HE2      LYS  28  20.003 -20.482 -16.163
  219    HE3  LYS  28           HE1      LYS  28  20.984 -19.622 -14.979
  220    HZ1  LYS  28           HZ1      LYS  28  19.027 -20.402 -13.385
  221    HZ2  LYS  28           HZ2      LYS  28  20.348 -21.416 -13.721
  222    HZ3  LYS  28           HZ3      LYS  28  18.878 -21.634 -14.544
  223    H    VAL  29           HN       VAL  29  19.014 -13.494 -15.224
  224    HA   VAL  29           HA       VAL  29  16.568 -12.434 -16.245
  225    HB   VAL  29           HB       VAL  29  18.469 -11.073 -14.332
  226   HG11  VAL  29          HG11      VAL  29  16.503  -9.801 -15.261
  227   HG12  VAL  29          HG12      VAL  29  16.456 -10.008 -13.510
  228   HG13  VAL  29          HG13      VAL  29  15.445 -11.018 -14.545
  229   HG21  VAL  29          HG21      VAL  29  18.159 -13.277 -13.443
  230   HG22  VAL  29          HG22      VAL  29  16.453 -13.289 -13.886
  231   HG23  VAL  29          HG23      VAL  29  17.019 -12.243 -12.583
  232    H    PHE  30           HN       PHE  30  19.905 -11.190 -16.170
  233    HA   PHE  30           HA       PHE  30  19.425  -8.810 -17.573
  234    HB2  PHE  30           HB2      PHE  30  21.938 -10.469 -17.363
  235    HB3  PHE  30           HB1      PHE  30  21.875  -8.841 -18.027
  236    HD1  PHE  30           HD2      PHE  30  20.441  -7.135 -16.407
  237    HD2  PHE  30           HD1      PHE  30  22.629 -10.613 -15.136
  238    HE1  PHE  30           HE2      PHE  30  20.617  -6.195 -14.127
  239    HE2  PHE  30           HE1      PHE  30  22.813  -9.659 -12.860
  240    HZ   PHE  30           HZ       PHE  30  21.804  -7.451 -12.353
  241    H    LYS  31           HN       LYS  31  20.434 -12.012 -18.795
  242    HA   LYS  31           HA       LYS  31  20.681 -11.101 -21.493
  243    HB2  LYS  31           HB2      LYS  31  20.407 -13.879 -20.323
  244    HB3  LYS  31           HB1      LYS  31  20.638 -13.568 -22.043
  245    HG2  LYS  31           HG2      LYS  31  22.700 -12.144 -21.256
  246    HG3  LYS  31           HG1      LYS  31  22.543 -13.058 -19.760
  247    HD2  LYS  31           HD2      LYS  31  22.665 -15.170 -21.084
  248    HD3  LYS  31           HD1      LYS  31  22.930 -14.207 -22.536
  249    HE2  LYS  31           HE2      LYS  31  24.897 -13.137 -21.224
  250    HE3  LYS  31           HE1      LYS  31  24.734 -14.521 -20.140
  251    HZ1  LYS  31           HZ1      LYS  31  25.888 -14.395 -22.731
  252    HZ2  LYS  31           HZ2      LYS  31  24.653 -15.562 -22.682
  253    HZ3  LYS  31           HZ3      LYS  31  25.950 -15.647 -21.588
  254    H    GLN  32           HN       GLN  32  18.094 -12.673 -19.659
  255    HA   GLN  32           HA       GLN  32  16.329 -12.883 -21.911
  256    HB2  GLN  32           HB2      GLN  32  16.224 -14.281 -19.794
  257    HB3  GLN  32           HB1      GLN  32  15.570 -12.858 -18.986
  258    HG2  GLN  32           HG2      GLN  32  13.630 -13.995 -19.651
  259    HG3  GLN  32           HG1      GLN  32  13.844 -12.824 -20.949
  260   HE21  GLN  32          HE21      GLN  32  13.170 -16.063 -20.425
  261   HE22  GLN  32          HE22      GLN  32  13.735 -16.697 -21.895
  262    H    TYR  33           HN       TYR  33  16.968 -10.532 -19.403
  263    HA   TYR  33           HA       TYR  33  14.686  -8.898 -19.776
  264    HB2  TYR  33           HB2      TYR  33  15.929  -8.671 -17.754
  265    HB3  TYR  33           HB1      TYR  33  17.431  -8.400 -18.635
  266    HD1  TYR  33           HD2      TYR  33  13.953  -6.986 -18.631
  267    HD2  TYR  33           HD1      TYR  33  18.175  -6.181 -18.655
  268    HE1  TYR  33           HE2      TYR  33  13.491  -4.550 -18.640
  269    HE2  TYR  33           HE1      TYR  33  17.709  -3.747 -18.662
  270    HH   TYR  33           HH       TYR  33  15.516  -2.299 -19.531
  271    H    ALA  34           HN       ALA  34  17.884  -8.965 -21.266
  272    HA   ALA  34           HA       ALA  34  17.795  -6.494 -22.594
  273    HB1  ALA  34           HB1      ALA  34  19.261  -9.070 -23.002
  274    HB2  ALA  34           HB2      ALA  34  19.902  -7.463 -22.662
  275    HB3  ALA  34           HB3      ALA  34  19.332  -7.861 -24.282
  276    H    ASN  35           HN       ASN  35  16.587  -9.706 -23.616
  277    HA   ASN  35           HA       ASN  35  15.797  -8.865 -26.213
  278    HB2  ASN  35           HB2      ASN  35  16.077 -11.262 -25.332
  279    HB3  ASN  35           HB1      ASN  35  14.480 -11.063 -24.617
  280   HD21  ASN  35          HD21      ASN  35  12.732 -10.249 -26.288
  281   HD22  ASN  35          HD22      ASN  35  12.832 -10.904 -27.851
  282    H    ASP  36           HN       ASP  36  14.253  -8.939 -23.056
  283    HA   ASP  36           HA       ASP  36  11.642  -8.234 -23.902
  284    HB2  ASP  36           HB2      ASP  36  12.783  -7.580 -21.197
  285    HB3  ASP  36           HB1      ASP  36  11.132  -8.037 -21.619
  286    H    ASN  37           HN       ASN  37  14.489  -6.295 -23.052
  287    HA   ASN  37           HA       ASN  37  12.902  -3.844 -23.116
  288    HB2  ASN  37           HB2      ASN  37  14.731  -2.771 -22.154
  289    HB3  ASN  37           HB1      ASN  37  14.785  -4.381 -21.456
  290   HD21  ASN  37          HD21      ASN  37  17.135  -3.034 -21.360
  291   HD22  ASN  37          HD22      ASN  37  18.229  -3.613 -22.516
  292    H    GLY  38           HN       GLY  38  15.004  -5.637 -25.264
  293    HA2  GLY  38           HA2      GLY  38  14.616  -5.129 -27.647
  294    HA3  GLY  38           HA1      GLY  38  14.755  -3.427 -27.246
  295    H    VAL  39           HN       VAL  39  17.127  -3.645 -25.569
  296    HA   VAL  39           HA       VAL  39  19.067  -3.713 -27.714
  297    HB   VAL  39           HB       VAL  39  19.383  -1.943 -26.206
  298   HG11  VAL  39          HG11      VAL  39  18.011  -2.612 -24.375
  299   HG12  VAL  39          HG12      VAL  39  19.632  -2.387 -23.719
  300   HG13  VAL  39          HG13      VAL  39  19.027  -4.011 -24.035
  301   HG21  VAL  39          HG21      VAL  39  21.318  -4.024 -25.160
  302   HG22  VAL  39          HG22      VAL  39  21.574  -2.286 -25.274
  303   HG23  VAL  39          HG23      VAL  39  21.488  -3.263 -26.740
  304    H    ASP  40           HN       ASP  40  19.779  -5.601 -28.428
  305    HA   ASP  40           HA       ASP  40  20.781  -7.598 -26.472
  306    HB2  ASP  40           HB2      ASP  40  18.590  -8.179 -27.755
  307    HB3  ASP  40           HB1      ASP  40  19.640  -8.373 -29.156
  308    H    GLY  41           HN       GLY  41  22.994  -7.539 -26.652
  309    HA2  GLY  41           HA2      GLY  41  24.150  -7.688 -29.371
  310    HA3  GLY  41           HA1      GLY  41  24.713  -6.436 -28.275
  311    H    GLU  42           HN       GLU  42  26.853  -7.336 -28.416
  312    HA   GLU  42           HA       GLU  42  27.380 -10.026 -27.585
  313    HB2  GLU  42           HB2      GLU  42  29.430  -7.820 -27.617
  314    HB3  GLU  42           HB1      GLU  42  29.640  -9.535 -27.973
  315    HG2  GLU  42           HG2      GLU  42  28.168  -9.234 -29.985
  316    HG3  GLU  42           HG1      GLU  42  28.166  -7.500 -29.664
  317    H    TRP  43           HN       TRP  43  27.944 -10.782 -25.619
  318    HA   TRP  43           HA       TRP  43  27.661  -8.932 -23.337
  319    HB2  TRP  43           HB2      TRP  43  27.360 -11.920 -23.638
  320    HB3  TRP  43           HB1      TRP  43  27.381 -11.115 -22.067
  321    HD1  TRP  43           HD1      TRP  43  25.311 -11.343 -25.290
  322    HE1  TRP  43           HE1      TRP  43  22.956 -10.406 -24.810
  323    HE3  TRP  43           HE3      TRP  43  26.025  -9.592 -20.561
  324    HZ2  TRP  43           HZ2      TRP  43  21.567  -9.094 -22.687
  325    HZ3  TRP  43           HZ3      TRP  43  24.176  -8.509 -19.329
  326    HH2  TRP  43           HH2      TRP  43  21.947  -8.253 -20.383
  327    H    THR  44           HN       THR  44  28.905  -9.307 -21.459
  328    HA   THR  44           HA       THR  44  31.440 -10.694 -21.610
  329    HB   THR  44           HB       THR  44  31.901  -8.518 -22.763
  330    HG1  THR  44           HG1      THR  44  33.601  -7.922 -21.236
  331   HG21  THR  44          HG21      THR  44  30.145  -7.302 -21.381
  332   HG22  THR  44          HG22      THR  44  31.674  -6.453 -21.595
  333   HG23  THR  44          HG23      THR  44  31.323  -7.270 -20.072
  334    H    TYR  45           HN       TYR  45  32.627 -10.326 -19.399
  335    HA   TYR  45           HA       TYR  45  31.175  -9.194 -17.247
  336    HB2  TYR  45           HB2      TYR  45  29.561 -10.878 -17.405
  337    HB3  TYR  45           HB1      TYR  45  30.741 -12.108 -17.829
  338    HD1  TYR  45           HD1      TYR  45  30.751  -9.621 -15.005
  339    HD2  TYR  45           HD2      TYR  45  30.582 -13.755 -16.167
  340    HE1  TYR  45           HE1      TYR  45  30.906 -10.304 -12.629
  341    HE2  TYR  45           HE2      TYR  45  30.738 -14.431 -13.790
  342    HH   TYR  45           HH       TYR  45  30.626 -13.704 -11.666
  343    H    ASP  46           HN       ASP  46  32.429  -8.945 -15.534
  344    HA   ASP  46           HA       ASP  46  34.876 -10.601 -15.278
  345    HB2  ASP  46           HB2      ASP  46  35.611  -8.435 -16.021
  346    HB3  ASP  46           HB1      ASP  46  34.531  -7.615 -14.894
  347    H    ASP  47           HN       ASP  47  34.572 -11.860 -13.516
  348    HA   ASP  47           HA       ASP  47  32.689 -11.291 -11.469
  349    HB2  ASP  47           HB2      ASP  47  33.465 -13.580 -12.071
  350    HB3  ASP  47           HB1      ASP  47  35.035 -13.198 -11.366
  351    H    ALA  48           HN       ALA  48  35.841 -10.156 -12.032
  352    HA   ALA  48           HA       ALA  48  36.559  -9.711  -9.270
  353    HB1  ALA  48           HB1      ALA  48  38.511  -8.636 -10.134
  354    HB2  ALA  48           HB2      ALA  48  37.767  -8.418 -11.718
  355    HB3  ALA  48           HB3      ALA  48  38.204 -10.034 -11.162
  356    H    THR  49           HN       THR  49  34.533  -8.117 -11.530
  357    HA   THR  49           HA       THR  49  34.493  -5.691  -9.814
  358    HB   THR  49           HB       THR  49  33.782  -4.518 -12.044
  359    HG1  THR  49           HG1      THR  49  35.142  -5.674 -13.732
  360   HG21  THR  49          HG21      THR  49  36.244  -4.236 -12.655
  361   HG22  THR  49          HG22      THR  49  36.595  -5.399 -11.375
  362   HG23  THR  49          HG23      THR  49  35.816  -3.865 -10.984
  363    H    LYS  50           HN       LYS  50  32.784  -8.359 -10.646
  364    HA   LYS  50           HA       LYS  50  30.524  -8.863 -10.855
  365    HB2  LYS  50           HB2      LYS  50  30.219  -6.625  -8.851
  366    HB3  LYS  50           HB1      LYS  50  29.234  -8.077  -9.008
  367    HG2  LYS  50           HG2      LYS  50  32.184  -8.100  -8.287
  368    HG3  LYS  50           HG1      LYS  50  30.878  -8.177  -7.109
  369    HD2  LYS  50           HD2      LYS  50  30.010 -10.202  -8.407
  370    HD3  LYS  50           HD1      LYS  50  31.559 -10.198  -9.252
  371    HE2  LYS  50           HE2      LYS  50  32.728 -10.350  -7.067
  372    HE3  LYS  50           HE1      LYS  50  31.163 -10.425  -6.255
  373    HZ1  LYS  50           HZ1      LYS  50  31.167 -12.596  -6.612
  374    HZ2  LYS  50           HZ2      LYS  50  32.611 -12.501  -7.501
  375    HZ3  LYS  50           HZ3      LYS  50  31.113 -12.315  -8.283
  376    H    THR  51           HN       THR  51  31.009  -7.485 -13.061
  377    HA   THR  51           HA       THR  51  28.647  -5.747 -13.333
  378    HB   THR  51           HB       THR  51  31.424  -4.891 -14.193
  379    HG1  THR  51           HG1      THR  51  31.356  -3.569 -12.507
  380   HG21  THR  51          HG21      THR  51  28.666  -3.708 -14.557
  381   HG22  THR  51          HG22      THR  51  29.875  -4.053 -15.793
  382   HG23  THR  51          HG23      THR  51  30.126  -2.724 -14.661
  383    H    PHE  52           HN       PHE  52  27.535  -6.217 -15.123
  384    HA   PHE  52           HA       PHE  52  28.854  -7.728 -17.306
  385    HB2  PHE  52           HB2      PHE  52  25.999  -7.590 -16.319
  386    HB3  PHE  52           HB1      PHE  52  26.419  -8.261 -17.896
  387    HD1  PHE  52           HD2      PHE  52  27.660  -8.500 -14.338
  388    HD2  PHE  52           HD1      PHE  52  26.695 -10.570 -17.983
  389    HE1  PHE  52           HE2      PHE  52  28.248 -10.656 -13.277
  390    HE2  PHE  52           HE1      PHE  52  27.275 -12.724 -16.909
  391    HZ   PHE  52           HZ       PHE  52  28.053 -12.767 -14.558
  392    H    THR  53           HN       THR  53  28.281  -7.096 -19.512
  393    HA   THR  53           HA       THR  53  26.855  -4.569 -19.857
  394    HB   THR  53           HB       THR  53  28.660  -3.447 -21.034
  395    HG1  THR  53           HG1      THR  53  30.764  -4.836 -20.399
  396   HG21  THR  53          HG21      THR  53  28.494  -3.245 -18.520
  397   HG22  THR  53          HG22      THR  53  30.093  -2.920 -19.176
  398   HG23  THR  53          HG23      THR  53  29.757  -4.467 -18.403
  399    H    VAL  54           HN       VAL  54  25.688  -4.609 -21.719
  400    HA   VAL  54           HA       VAL  54  26.418  -6.648 -23.755
  401    HB   VAL  54           HB       VAL  54  24.250  -7.032 -22.567
  402   HG11  VAL  54          HG11      VAL  54  23.261  -4.597 -24.050
  403   HG12  VAL  54          HG12      VAL  54  23.810  -4.504 -22.379
  404   HG13  VAL  54          HG13      VAL  54  22.434  -5.523 -22.801
  405   HG21  VAL  54          HG21      VAL  54  24.001  -6.309 -25.508
  406   HG22  VAL  54          HG22      VAL  54  22.961  -7.425 -24.622
  407   HG23  VAL  54          HG23      VAL  54  24.657  -7.827 -24.893
  408    H    THR  55           HN       THR  55  27.091  -5.872 -25.646
  409    HA   THR  55           HA       THR  55  26.276  -3.136 -26.465
  410    HB   THR  55           HB       THR  55  28.699  -3.433 -25.637
  411    HG1  THR  55           HG1      THR  55  27.644  -1.889 -27.313
  412   HG21  THR  55          HG21      THR  55  30.280  -4.483 -27.040
  413   HG22  THR  55          HG22      THR  55  29.168  -4.535 -28.407
  414   HG23  THR  55          HG23      THR  55  28.926  -5.614 -27.034
  415    H    GLU  56           HN       GLU  56  25.139  -3.122 -28.299
  416    HA   GLU  56           HA       GLU  56  25.462  -5.357 -30.220
  417    HB2  GLU  56           HB2      GLU  56  23.224  -4.289 -31.103
  418    HB3  GLU  56           HB1      GLU  56  23.198  -5.304 -29.664
  419    HG2  GLU  56           HG2      GLU  56  23.294  -3.330 -28.227
  420    HG3  GLU  56           HG1      GLU  56  23.396  -2.283 -29.643
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  25.093 -12.740  -4.416
    2    H2   MET   1           HT2      MET   1  24.618 -12.073  -2.927
    3    H3   MET   1           HT3      MET   1  26.064 -12.956  -3.042
    4    HA   MET   1           HA       MET   1  26.299 -10.477  -2.950
    5    HB2  MET   1           HB2      MET   1  28.329 -10.820  -3.955
    6    HB3  MET   1           HB1      MET   1  27.766 -12.463  -4.222
    7    HG2  MET   1           HG2      MET   1  26.740 -11.497  -6.436
    8    HG3  MET   1           HG1      MET   1  27.853 -10.156  -6.162
    9    HE1  MET   1           HE1      MET   1  27.213 -13.720  -6.108
   10    HE2  MET   1           HE2      MET   1  28.780 -14.514  -6.058
   11    HE3  MET   1           HE3      MET   1  28.039 -14.153  -7.610
   12    H    GLN   2           HN       GLN   2  26.734  -8.797  -4.961
   13    HA   GLN   2           HA       GLN   2  24.207  -8.679  -6.521
   14    HB2  GLN   2           HB2      GLN   2  25.602  -6.492  -4.974
   15    HB3  GLN   2           HB1      GLN   2  24.376  -6.173  -6.202
   16    HG2  GLN   2           HG2      GLN   2  22.796  -7.643  -4.955
   17    HG3  GLN   2           HG1      GLN   2  24.013  -7.839  -3.695
   18   HE21  GLN   2          HE21      GLN   2  21.338  -5.932  -4.584
   19   HE22  GLN   2          HE22      GLN   2  21.658  -4.589  -3.596
   20    H    TYR   3           HN       TYR   3  24.345  -8.061  -8.595
   21    HA   TYR   3           HA       TYR   3  27.005  -7.293  -9.672
   22    HB2  TYR   3           HB2      TYR   3  24.980  -8.642 -11.429
   23    HB3  TYR   3           HB1      TYR   3  26.741  -8.690 -11.497
   24    HD1  TYR   3           HD1      TYR   3  23.904  -9.688  -9.259
   25    HD2  TYR   3           HD2      TYR   3  27.829 -10.626 -10.734
   26    HE1  TYR   3           HE1      TYR   3  23.865 -11.822  -8.012
   27    HE2  TYR   3           HE2      TYR   3  27.782 -12.771  -9.490
   28    HH   TYR   3           HH       TYR   3  25.715 -14.341  -8.621
   29    H    LYS   4           HN       LYS   4  26.743  -6.109 -11.827
   30    HA   LYS   4           HA       LYS   4  24.285  -4.452 -11.879
   31    HB2  LYS   4           HB2      LYS   4  26.356  -3.409 -10.671
   32    HB3  LYS   4           HB1      LYS   4  26.993  -3.201 -12.300
   33    HG2  LYS   4           HG2      LYS   4  24.978  -1.925 -12.938
   34    HG3  LYS   4           HG1      LYS   4  24.311  -2.163 -11.322
   35    HD2  LYS   4           HD2      LYS   4  26.724  -1.101 -10.637
   36    HD3  LYS   4           HD1      LYS   4  26.521  -0.347 -12.217
   37    HE2  LYS   4           HE2      LYS   4  24.458  -0.251  -9.996
   38    HE3  LYS   4           HE1      LYS   4  25.614   1.033 -10.345
   39    HZ1  LYS   4           HZ1      LYS   4  24.645   1.461 -12.390
   40    HZ2  LYS   4           HZ2      LYS   4  23.308   1.187 -11.378
   41    HZ3  LYS   4           HZ3      LYS   4  23.835  -0.027 -12.442
   42    H    LEU   5           HN       LEU   5  23.456  -4.267 -13.869
   43    HA   LEU   5           HA       LEU   5  25.149  -5.059 -16.165
   44    HB2  LEU   5           HB2      LEU   5  23.154  -6.442 -15.770
   45    HB3  LEU   5           HB1      LEU   5  22.134  -5.028 -15.868
   46    HG   LEU   5           HG       LEU   5  22.430  -6.660 -17.947
   47   HD11  LEU   5          HD11      LEU   5  22.385  -3.651 -18.196
   48   HD12  LEU   5          HD12      LEU   5  21.002  -4.724 -18.017
   49   HD13  LEU   5          HD13      LEU   5  21.975  -4.772 -19.485
   50   HD21  LEU   5          HD21      LEU   5  24.111  -5.984 -19.537
   51   HD22  LEU   5          HD22      LEU   5  24.920  -6.399 -18.035
   52   HD23  LEU   5          HD23      LEU   5  24.689  -4.722 -18.475
   53    H    ILE   6           HN       ILE   6  25.754  -3.543 -17.569
   54    HA   ILE   6           HA       ILE   6  24.558  -0.850 -17.395
   55    HB   ILE   6           HB       ILE   6  27.011  -1.747 -18.922
   56   HG12  ILE   6          HG12      ILE   6  27.427  -2.182 -16.575
   57   HG13  ILE   6          HG11      ILE   6  28.273  -0.699 -17.011
   58   HG21  ILE   6          HG21      ILE   6  25.944   0.958 -18.086
   59   HG22  ILE   6          HG22      ILE   6  26.072   0.332 -19.729
   60   HG23  ILE   6          HG23      ILE   6  27.531   0.695 -18.809
   61   HD11  ILE   6          HD11      ILE   6  27.223  -0.137 -14.988
   62   HD12  ILE   6          HD12      ILE   6  25.756  -1.025 -15.392
   63   HD13  ILE   6          HD13      ILE   6  26.110   0.504 -16.195
   64    H    LEU   7           HN       LEU   7  23.339  -0.058 -18.984
   65    HA   LEU   7           HA       LEU   7  22.756  -1.795 -21.272
   66    HB2  LEU   7           HB2      LEU   7  21.416   0.555 -19.974
   67    HB3  LEU   7           HB1      LEU   7  21.040   0.196 -21.653
   68    HG   LEU   7           HG       LEU   7  20.632  -2.252 -20.761
   69   HD11  LEU   7          HD11      LEU   7  20.100  -2.483 -18.478
   70   HD12  LEU   7          HD12      LEU   7  19.978  -0.741 -18.231
   71   HD13  LEU   7          HD13      LEU   7  21.557  -1.492 -18.449
   72   HD21  LEU   7          HD21      LEU   7  18.276  -1.529 -20.099
   73   HD22  LEU   7          HD22      LEU   7  18.837  -0.982 -21.680
   74   HD23  LEU   7          HD23      LEU   7  18.830   0.133 -20.313
   75    H    ASN   8           HN       ASN   8  23.889  -1.577 -23.027
   76    HA   ASN   8           HA       ASN   8  24.522   1.123 -24.045
   77    HB2  ASN   8           HB2      ASN   8  26.585   0.218 -23.063
   78    HB3  ASN   8           HB1      ASN   8  26.394  -1.261 -24.004
   79   HD21  ASN   8          HD21      ASN   8  28.106  -1.101 -25.504
   80   HD22  ASN   8          HD22      ASN   8  28.327   0.218 -26.550
   81    H    GLY   9           HN       GLY   9  22.687   0.845 -25.398
   82    HA2  GLY   9           HA2      GLY   9  23.061  -1.131 -27.576
   83    HA3  GLY   9           HA1      GLY   9  21.481  -0.765 -26.898
   84    H    LYS  10           HN       LYS  10  20.965  -0.300 -29.152
   85    HA   LYS  10           HA       LYS  10  22.121   2.064 -30.354
   86    HB2  LYS  10           HB2      LYS  10  19.635   0.572 -31.211
   87    HB3  LYS  10           HB1      LYS  10  20.640   1.638 -32.193
   88    HG2  LYS  10           HG2      LYS  10  22.545   0.084 -31.930
   89    HG3  LYS  10           HG1      LYS  10  21.531  -0.994 -30.973
   90    HD2  LYS  10           HD2      LYS  10  20.660  -0.159 -33.741
   91    HD3  LYS  10           HD1      LYS  10  21.825  -1.466 -33.536
   92    HE2  LYS  10           HE2      LYS  10  20.202  -2.608 -32.003
   93    HE3  LYS  10           HE1      LYS  10  19.025  -1.348 -32.374
   94    HZ1  LYS  10           HZ1      LYS  10  20.288  -2.629 -34.653
   95    HZ2  LYS  10           HZ2      LYS  10  18.671  -2.152 -34.427
   96    HZ3  LYS  10           HZ3      LYS  10  19.235  -3.606 -33.750
   97    H    THR  11           HN       THR  11  19.014   1.221 -28.786
   98    HA   THR  11           HA       THR  11  18.472   4.128 -28.504
   99    HB   THR  11           HB       THR  11  16.057   3.590 -28.796
  100    HG1  THR  11           HG1      THR  11  16.946   1.151 -29.888
  101   HG21  THR  11          HG21      THR  11  16.188   3.358 -31.241
  102   HG22  THR  11          HG22      THR  11  17.863   2.823 -31.104
  103   HG23  THR  11          HG23      THR  11  17.424   4.471 -30.653
  104    H    LEU  12           HN       LEU  12  19.433   1.734 -26.675
  105    HA   LEU  12           HA       LEU  12  17.686   2.528 -24.438
  106    HB2  LEU  12           HB2      LEU  12  17.434   0.072 -25.691
  107    HB3  LEU  12           HB1      LEU  12  18.499  -0.316 -24.347
  108    HG   LEU  12           HG       LEU  12  15.715   0.871 -24.246
  109   HD11  LEU  12          HD11      LEU  12  16.783  -1.464 -22.672
  110   HD12  LEU  12          HD12      LEU  12  16.277  -1.684 -24.345
  111   HD13  LEU  12          HD13      LEU  12  15.121  -1.117 -23.140
  112   HD21  LEU  12          HD21      LEU  12  16.367   0.637 -21.613
  113   HD22  LEU  12          HD22      LEU  12  16.549   2.139 -22.506
  114   HD23  LEU  12          HD23      LEU  12  17.941   1.091 -22.259
  115    H    LYS  13           HN       LYS  13  19.161   3.705 -23.334
  116    HA   LYS  13           HA       LYS  13  21.632   2.330 -22.420
  117    HB2  LYS  13           HB2      LYS  13  21.201   5.000 -23.622
  118    HB3  LYS  13           HB1      LYS  13  22.134   5.053 -22.136
  119    HG2  LYS  13           HG2      LYS  13  23.663   4.826 -24.003
  120    HG3  LYS  13           HG1      LYS  13  23.674   3.330 -23.077
  121    HD2  LYS  13           HD2      LYS  13  23.619   2.860 -25.485
  122    HD3  LYS  13           HD1      LYS  13  22.145   2.311 -24.707
  123    HE2  LYS  13           HE2      LYS  13  22.075   5.089 -25.777
  124    HE3  LYS  13           HE1      LYS  13  22.121   3.791 -26.968
  125    HZ1  LYS  13           HZ1      LYS  13  19.861   4.236 -26.434
  126    HZ2  LYS  13           HZ2      LYS  13  20.161   4.110 -24.767
  127    HZ3  LYS  13           HZ3      LYS  13  20.271   2.737 -25.759
  128    H    GLY  14           HN       GLY  14  21.963   2.317 -20.219
  129    HA2  GLY  14           HA2      GLY  14  21.006   4.119 -18.329
  130    HA3  GLY  14           HA1      GLY  14  19.779   2.866 -18.488
  131    H    GLU  15           HN       GLU  15  20.186   2.213 -16.304
  132    HA   GLU  15           HA       GLU  15  22.592   0.509 -15.992
  133    HB2  GLU  15           HB2      GLU  15  21.332   2.255 -13.866
  134    HB3  GLU  15           HB1      GLU  15  22.681   1.147 -13.636
  135    HG2  GLU  15           HG2      GLU  15  22.767   3.373 -15.668
  136    HG3  GLU  15           HG1      GLU  15  23.282   3.605 -13.999
  137    H    THR  16           HN       THR  16  22.290  -1.342 -14.667
  138    HA   THR  16           HA       THR  16  19.591  -1.924 -13.694
  139    HB   THR  16           HB       THR  16  20.117  -4.286 -15.012
  140    HG1  THR  16           HG1      THR  16  21.877  -3.278 -16.074
  141   HG21  THR  16          HG21      THR  16  17.977  -3.080 -14.997
  142   HG22  THR  16          HG22      THR  16  18.425  -3.559 -16.634
  143   HG23  THR  16          HG23      THR  16  18.640  -1.889 -16.113
  144    H    THR  17           HN       THR  17  19.490  -3.727 -12.283
  145    HA   THR  17           HA       THR  17  22.034  -4.917 -11.424
  146    HB   THR  17           HB       THR  17  20.234  -3.693  -9.340
  147    HG1  THR  17           HG1      THR  17  22.106  -2.450 -11.012
  148   HG21  THR  17          HG21      THR  17  22.083  -3.936  -7.927
  149   HG22  THR  17          HG22      THR  17  23.226  -3.952  -9.264
  150   HG23  THR  17          HG23      THR  17  22.220  -5.365  -8.949
  151    H    THR  18           HN       THR  18  21.738  -6.742  -9.971
  152    HA   THR  18           HA       THR  18  19.051  -7.770  -9.589
  153    HB   THR  18           HB       THR  18  19.864  -8.449 -11.943
  154    HG1  THR  18           HG1      THR  18  18.975 -10.515 -11.618
  155   HG21  THR  18          HG21      THR  18  21.473 -10.170 -12.126
  156   HG22  THR  18          HG22      THR  18  21.432 -10.510 -10.400
  157   HG23  THR  18          HG23      THR  18  22.192  -9.033 -10.987
  158    H    GLU  19           HN       GLU  19  18.974  -9.468  -8.072
  159    HA   GLU  19           HA       GLU  19  21.430  -9.731  -6.438
  160    HB2  GLU  19           HB2      GLU  19  18.980  -8.848  -5.654
  161    HB3  GLU  19           HB1      GLU  19  18.779 -10.567  -5.337
  162    HG2  GLU  19           HG2      GLU  19  20.838  -8.678  -4.179
  163    HG3  GLU  19           HG1      GLU  19  19.645  -9.648  -3.320
  164    H    ALA  20           HN       ALA  20  22.493 -11.562  -6.895
  165    HA   ALA  20           HA       ALA  20  21.044 -14.108  -6.819
  166    HB1  ALA  20           HB1      ALA  20  22.995 -13.680  -9.077
  167    HB2  ALA  20           HB2      ALA  20  21.298 -13.240  -9.266
  168    HB3  ALA  20           HB3      ALA  20  21.741 -14.905  -8.903
  169    H    VAL  21           HN       VAL  21  22.507 -15.956  -6.664
  170    HA   VAL  21           HA       VAL  21  24.786 -15.316  -4.962
  171    HB   VAL  21           HB       VAL  21  23.487 -17.060  -4.074
  172   HG11  VAL  21          HG11      VAL  21  22.814 -19.042  -5.510
  173   HG12  VAL  21          HG12      VAL  21  23.359 -18.119  -6.908
  174   HG13  VAL  21          HG13      VAL  21  22.028 -17.521  -5.919
  175   HG21  VAL  21          HG21      VAL  21  25.993 -17.590  -4.369
  176   HG22  VAL  21          HG22      VAL  21  25.494 -18.658  -5.680
  177   HG23  VAL  21          HG23      VAL  21  24.926 -18.953  -4.037
  178    H    ASP  22           HN       ASP  22  24.082 -16.907  -8.046
  179    HA   ASP  22           HA       ASP  22  26.983 -17.156  -8.581
  180    HB2  ASP  22           HB2      ASP  22  24.621 -18.393 -10.002
  181    HB3  ASP  22           HB1      ASP  22  26.318 -18.675 -10.386
  182    H    ALA  23           HN       ALA  23  27.867 -16.472 -10.522
  183    HA   ALA  23           HA       ALA  23  26.820 -13.996 -11.521
  184    HB1  ALA  23           HB1      ALA  23  29.172 -14.110 -11.393
  185    HB2  ALA  23           HB2      ALA  23  28.829 -14.252 -13.117
  186    HB3  ALA  23           HB3      ALA  23  29.224 -15.688 -12.176
  187    H    ALA  24           HN       ALA  24  27.050 -17.307 -12.725
  188    HA   ALA  24           HA       ALA  24  26.193 -16.719 -15.380
  189    HB1  ALA  24           HB1      ALA  24  27.444 -18.763 -14.842
  190    HB2  ALA  24           HB2      ALA  24  25.898 -19.153 -15.596
  191    HB3  ALA  24           HB3      ALA  24  26.099 -19.333 -13.852
  192    H    THR  25           HN       THR  25  24.427 -17.698 -12.411
  193    HA   THR  25           HA       THR  25  21.938 -18.124 -13.721
  194    HB   THR  25           HB       THR  25  22.741 -18.819 -11.312
  195    HG1  THR  25           HG1      THR  25  20.829 -19.586 -11.616
  196   HG21  THR  25          HG21      THR  25  22.814 -16.236 -10.722
  197   HG22  THR  25          HG22      THR  25  22.225 -17.397  -9.531
  198   HG23  THR  25          HG23      THR  25  21.079 -16.457 -10.489
  199    H    ALA  26           HN       ALA  26  23.558 -15.278 -12.508
  200    HA   ALA  26           HA       ALA  26  21.301 -13.549 -12.442
  201    HB1  ALA  26           HB1      ALA  26  23.208 -12.818 -11.248
  202    HB2  ALA  26           HB2      ALA  26  23.123 -11.748 -12.647
  203    HB3  ALA  26           HB3      ALA  26  24.275 -13.082 -12.628
  204    H    GLU  27           HN       GLU  27  23.584 -14.484 -14.946
  205    HA   GLU  27           HA       GLU  27  22.969 -12.544 -16.868
  206    HB2  GLU  27           HB2      GLU  27  24.456 -13.704 -18.147
  207    HB3  GLU  27           HB1      GLU  27  24.674 -14.720 -16.729
  208    HG2  GLU  27           HG2      GLU  27  22.789 -16.178 -17.590
  209    HG3  GLU  27           HG1      GLU  27  22.821 -15.228 -19.075
  210    H    LYS  28           HN       LYS  28  21.247 -15.432 -15.907
  211    HA   LYS  28           HA       LYS  28  19.615 -15.790 -18.149
  212    HB2  LYS  28           HB2      LYS  28  18.941 -16.217 -15.226
  213    HB3  LYS  28           HB1      LYS  28  18.013 -16.853 -16.586
  214    HG2  LYS  28           HG2      LYS  28  20.261 -17.902 -17.358
  215    HG3  LYS  28           HG1      LYS  28  20.810 -17.581 -15.714
  216    HD2  LYS  28           HD2      LYS  28  18.428 -19.275 -16.531
  217    HD3  LYS  28           HD1      LYS  28  19.929 -19.847 -15.803
  218    HE2  LYS  28           HE2      LYS  28  19.391 -18.324 -13.818
  219    HE3  LYS  28           HE1      LYS  28  17.786 -18.129 -14.520
  220    HZ1  LYS  28           HZ1      LYS  28  18.298 -20.867 -14.511
  221    HZ2  LYS  28           HZ2      LYS  28  17.214 -20.027 -13.508
  222    HZ3  LYS  28           HZ3      LYS  28  18.808 -20.309 -12.991
  223    H    VAL  29           HN       VAL  29  19.284 -13.605 -15.391
  224    HA   VAL  29           HA       VAL  29  16.708 -12.620 -16.132
  225    HB   VAL  29           HB       VAL  29  18.794 -11.189 -14.477
  226   HG11  VAL  29          HG11      VAL  29  16.730 -10.308 -13.356
  227   HG12  VAL  29          HG12      VAL  29  15.764 -11.128 -14.582
  228   HG13  VAL  29          HG13      VAL  29  16.862  -9.828 -15.047
  229   HG21  VAL  29          HG21      VAL  29  18.620 -13.377 -13.520
  230   HG22  VAL  29          HG22      VAL  29  16.874 -13.419 -13.765
  231   HG23  VAL  29          HG23      VAL  29  17.569 -12.342 -12.553
  232    H    PHE  30           HN       PHE  30  19.997 -11.282 -16.460
  233    HA   PHE  30           HA       PHE  30  19.247  -8.977 -17.896
  234    HB2  PHE  30           HB2      PHE  30  21.893 -10.430 -17.893
  235    HB3  PHE  30           HB1      PHE  30  21.625  -8.797 -18.485
  236    HD1  PHE  30           HD1      PHE  30  20.096  -7.356 -16.600
  237    HD2  PHE  30           HD2      PHE  30  22.949 -10.478 -15.810
  238    HE1  PHE  30           HE1      PHE  30  20.439  -6.477 -14.318
  239    HE2  PHE  30           HE2      PHE  30  23.289  -9.581 -13.531
  240    HZ   PHE  30           HZ       PHE  30  22.036  -7.577 -12.787
  241    H    LYS  31           HN       LYS  31  20.345 -12.172 -19.040
  242    HA   LYS  31           HA       LYS  31  20.501 -11.482 -21.759
  243    HB2  LYS  31           HB2      LYS  31  21.289 -13.643 -20.534
  244    HB3  LYS  31           HB1      LYS  31  19.659 -14.228 -20.856
  245    HG2  LYS  31           HG2      LYS  31  20.612 -14.929 -22.835
  246    HG3  LYS  31           HG1      LYS  31  20.272 -13.274 -23.328
  247    HD2  LYS  31           HD2      LYS  31  22.528 -13.452 -23.902
  248    HD3  LYS  31           HD1      LYS  31  22.655 -12.783 -22.277
  249    HE2  LYS  31           HE2      LYS  31  22.842 -15.156 -21.415
  250    HE3  LYS  31           HE1      LYS  31  22.953 -15.686 -23.093
  251    HZ1  LYS  31           HZ1      LYS  31  24.834 -13.999 -21.567
  252    HZ2  LYS  31           HZ2      LYS  31  24.822 -13.984 -23.266
  253    HZ3  LYS  31           HZ3      LYS  31  25.148 -15.425 -22.429
  254    H    GLN  32           HN       GLN  32  17.824 -12.950 -19.913
  255    HA   GLN  32           HA       GLN  32  16.028 -12.947 -22.143
  256    HB2  GLN  32           HB2      GLN  32  15.576 -13.259 -19.169
  257    HB3  GLN  32           HB1      GLN  32  14.312 -13.449 -20.384
  258    HG2  GLN  32           HG2      GLN  32  15.546 -15.263 -21.447
  259    HG3  GLN  32           HG1      GLN  32  16.897 -15.031 -20.339
  260   HE21  GLN  32          HE21      GLN  32  14.350 -17.079 -20.834
  261   HE22  GLN  32          HE22      GLN  32  14.024 -17.530 -19.232
  262    H    TYR  33           HN       TYR  33  16.609 -10.793 -19.404
  263    HA   TYR  33           HA       TYR  33  14.378  -9.111 -19.724
  264    HB2  TYR  33           HB2      TYR  33  15.682  -9.003 -17.708
  265    HB3  TYR  33           HB1      TYR  33  17.135  -8.605 -18.617
  266    HD1  TYR  33           HD1      TYR  33  13.794  -7.363 -17.609
  267    HD2  TYR  33           HD2      TYR  33  17.596  -6.375 -19.350
  268    HE1  TYR  33           HE1      TYR  33  13.236  -4.952 -17.458
  269    HE2  TYR  33           HE2      TYR  33  17.037  -3.964 -19.198
  270    HH   TYR  33           HH       TYR  33  13.856  -2.884 -18.026
  271    H    ALA  34           HN       ALA  34  17.571  -9.108 -21.212
  272    HA   ALA  34           HA       ALA  34  17.483  -6.592 -22.442
  273    HB1  ALA  34           HB1      ALA  34  19.024  -7.874 -24.173
  274    HB2  ALA  34           HB2      ALA  34  18.938  -9.154 -22.967
  275    HB3  ALA  34           HB3      ALA  34  19.584  -7.573 -22.528
  276    H    ASN  35           HN       ASN  35  16.186  -9.736 -23.498
  277    HA   ASN  35           HA       ASN  35  15.488  -8.974 -26.127
  278    HB2  ASN  35           HB2      ASN  35  14.652 -11.137 -24.234
  279    HB3  ASN  35           HB1      ASN  35  13.587 -10.822 -25.601
  280   HD21  ASN  35          HD21      ASN  35  14.410 -13.174 -26.137
  281   HD22  ASN  35          HD22      ASN  35  15.828 -13.281 -27.062
  282    H    ASP  36           HN       ASP  36  13.636  -8.919 -23.087
  283    HA   ASP  36           HA       ASP  36  11.286  -7.778 -24.196
  284    HB2  ASP  36           HB2      ASP  36  12.143  -7.421 -21.331
  285    HB3  ASP  36           HB1      ASP  36  10.515  -7.619 -21.983
  286    H    ASN  37           HN       ASN  37  14.321  -6.432 -23.165
  287    HA   ASN  37           HA       ASN  37  13.265  -3.722 -22.966
  288    HB2  ASN  37           HB2      ASN  37  15.667  -5.164 -22.153
  289    HB3  ASN  37           HB1      ASN  37  16.083  -3.637 -22.910
  290   HD21  ASN  37          HD21      ASN  37  16.564  -2.335 -21.096
  291   HD22  ASN  37          HD22      ASN  37  15.486  -2.067 -19.814
  292    H    GLY  38           HN       GLY  38  14.857  -5.732 -25.345
  293    HA2  GLY  38           HA2      GLY  38  14.626  -5.180 -27.676
  294    HA3  GLY  38           HA1      GLY  38  14.726  -3.477 -27.260
  295    H    VAL  39           HN       VAL  39  17.056  -3.728 -25.513
  296    HA   VAL  39           HA       VAL  39  19.072  -3.711 -27.592
  297    HB   VAL  39           HB       VAL  39  19.260  -1.999 -25.927
  298   HG11  VAL  39          HG11      VAL  39  18.050  -3.389 -24.137
  299   HG12  VAL  39          HG12      VAL  39  19.365  -2.359 -23.587
  300   HG13  VAL  39          HG13      VAL  39  19.624  -4.089 -23.777
  301   HG21  VAL  39          HG21      VAL  39  21.381  -4.057 -25.271
  302   HG22  VAL  39          HG22      VAL  39  21.532  -2.309 -25.170
  303   HG23  VAL  39          HG23      VAL  39  21.385  -3.091 -26.743
  304    H    ASP  40           HN       ASP  40  19.787  -5.583 -28.345
  305    HA   ASP  40           HA       ASP  40  20.710  -7.647 -26.418
  306    HB2  ASP  40           HB2      ASP  40  18.551  -8.174 -27.764
  307    HB3  ASP  40           HB1      ASP  40  19.624  -8.325 -29.152
  308    H    GLY  41           HN       GLY  41  22.925  -7.574 -26.532
  309    HA2  GLY  41           HA2      GLY  41  24.156  -7.708 -29.217
  310    HA3  GLY  41           HA1      GLY  41  24.694  -6.468 -28.097
  311    H    GLU  42           HN       GLU  42  26.832  -7.394 -28.200
  312    HA   GLU  42           HA       GLU  42  27.304 -10.088 -27.351
  313    HB2  GLU  42           HB2      GLU  42  29.384  -7.910 -27.345
  314    HB3  GLU  42           HB1      GLU  42  29.578  -9.629 -27.689
  315    HG2  GLU  42           HG2      GLU  42  28.095  -9.276 -29.719
  316    HG3  GLU  42           HG1      GLU  42  28.237  -7.543 -29.422
  317    H    TRP  43           HN       TRP  43  27.680 -10.846 -25.363
  318    HA   TRP  43           HA       TRP  43  27.420  -8.980 -23.103
  319    HB2  TRP  43           HB2      TRP  43  27.122 -11.976 -23.340
  320    HB3  TRP  43           HB1      TRP  43  27.039 -11.101 -21.808
  321    HD1  TRP  43           HD1      TRP  43  25.165 -11.559 -25.114
  322    HE1  TRP  43           HE1      TRP  43  22.789 -10.591 -24.856
  323    HE3  TRP  43           HE3      TRP  43  25.583  -9.424 -20.501
  324    HZ2  TRP  43           HZ2      TRP  43  21.272  -9.118 -22.944
  325    HZ3  TRP  43           HZ3      TRP  43  23.659  -8.252 -19.482
  326    HH2  TRP  43           HH2      TRP  43  21.501  -8.090 -20.699
  327    H    THR  44           HN       THR  44  28.647  -9.383 -21.179
  328    HA   THR  44           HA       THR  44  31.172 -10.794 -21.360
  329    HB   THR  44           HB       THR  44  31.848  -8.756 -22.462
  330    HG1  THR  44           HG1      THR  44  33.483  -9.028 -21.177
  331   HG21  THR  44          HG21      THR  44  30.247  -7.451 -20.265
  332   HG22  THR  44          HG22      THR  44  30.171  -7.183 -22.007
  333   HG23  THR  44          HG23      THR  44  31.537  -6.569 -21.083
  334    H    TYR  45           HN       TYR  45  32.396 -10.530 -19.208
  335    HA   TYR  45           HA       TYR  45  30.952  -9.441 -16.985
  336    HB2  TYR  45           HB2      TYR  45  29.576 -11.421 -17.325
  337    HB3  TYR  45           HB1      TYR  45  31.007 -12.449 -17.280
  338    HD1  TYR  45           HD1      TYR  45  29.408  -9.729 -15.240
  339    HD2  TYR  45           HD2      TYR  45  31.535 -13.461 -15.230
  340    HE1  TYR  45           HE1      TYR  45  29.257  -9.808 -12.769
  341    HE2  TYR  45           HE2      TYR  45  31.386 -13.538 -12.755
  342    HH   TYR  45           HH       TYR  45  30.735 -10.985 -10.875
  343    H    ASP  46           HN       ASP  46  32.225  -9.110 -15.295
  344    HA   ASP  46           HA       ASP  46  34.832 -10.516 -15.165
  345    HB2  ASP  46           HB2      ASP  46  35.286  -8.242 -15.863
  346    HB3  ASP  46           HB1      ASP  46  34.216  -7.597 -14.616
  347    H    ASP  47           HN       ASP  47  34.682 -11.860 -13.450
  348    HA   ASP  47           HA       ASP  47  32.821 -11.528 -11.329
  349    HB2  ASP  47           HB2      ASP  47  33.719 -13.724 -12.008
  350    HB3  ASP  47           HB1      ASP  47  35.313 -13.243 -11.432
  351    H    ALA  48           HN       ALA  48  35.871 -10.140 -11.939
  352    HA   ALA  48           HA       ALA  48  36.634  -9.730  -9.185
  353    HB1  ALA  48           HB1      ALA  48  37.660  -8.428 -11.718
  354    HB2  ALA  48           HB2      ALA  48  38.320  -9.882 -10.973
  355    HB3  ALA  48           HB3      ALA  48  38.419  -8.336 -10.129
  356    H    THR  49           HN       THR  49  34.520  -8.148 -11.410
  357    HA   THR  49           HA       THR  49  34.291  -5.837  -9.558
  358    HB   THR  49           HB       THR  49  33.567  -4.578 -11.737
  359    HG1  THR  49           HG1      THR  49  34.251  -5.440 -13.583
  360   HG21  THR  49          HG21      THR  49  35.883  -3.894 -12.145
  361   HG22  THR  49          HG22      THR  49  36.474  -5.331 -11.312
  362   HG23  THR  49          HG23      THR  49  35.608  -4.083 -10.413
  363    H    LYS  50           HN       LYS  50  32.785  -8.544 -10.612
  364    HA   LYS  50           HA       LYS  50  30.574  -9.180 -10.946
  365    HB2  LYS  50           HB2      LYS  50  30.052  -7.187  -8.741
  366    HB3  LYS  50           HB1      LYS  50  29.212  -8.704  -9.054
  367    HG2  LYS  50           HG2      LYS  50  32.134  -8.497  -8.256
  368    HG3  LYS  50           HG1      LYS  50  30.814  -8.862  -7.147
  369    HD2  LYS  50           HD2      LYS  50  30.222 -10.797  -8.722
  370    HD3  LYS  50           HD1      LYS  50  31.792 -10.520  -9.477
  371    HE2  LYS  50           HE2      LYS  50  32.947 -10.949  -7.400
  372    HE3  LYS  50           HE1      LYS  50  31.427 -11.012  -6.509
  373    HZ1  LYS  50           HZ1      LYS  50  32.737 -13.085  -7.870
  374    HZ2  LYS  50           HZ2      LYS  50  31.246 -12.807  -8.634
  375    HZ3  LYS  50           HZ3      LYS  50  31.299 -13.155  -6.972
  376    H    THR  51           HN       THR  51  31.008  -7.531 -12.971
  377    HA   THR  51           HA       THR  51  28.559  -5.871 -13.091
  378    HB   THR  51           HB       THR  51  31.316  -4.991 -13.998
  379    HG1  THR  51           HG1      THR  51  31.363  -4.159 -12.092
  380   HG21  THR  51          HG21      THR  51  30.005  -2.821 -14.435
  381   HG22  THR  51          HG22      THR  51  28.555  -3.823 -14.358
  382   HG23  THR  51          HG23      THR  51  29.777  -4.133 -15.590
  383    H    PHE  52           HN       PHE  52  27.379  -6.252 -14.884
  384    HA   PHE  52           HA       PHE  52  28.614  -7.789 -17.100
  385    HB2  PHE  52           HB2      PHE  52  25.749  -7.498 -16.169
  386    HB3  PHE  52           HB1      PHE  52  26.210  -8.288 -17.675
  387    HD1  PHE  52           HD1      PHE  52  26.305  -8.493 -13.994
  388    HD2  PHE  52           HD2      PHE  52  27.333 -10.435 -17.684
  389    HE1  PHE  52           HE1      PHE  52  26.681 -10.622 -12.776
  390    HE2  PHE  52           HE2      PHE  52  27.716 -12.557 -16.461
  391    HZ   PHE  52           HZ       PHE  52  27.386 -12.648 -14.007
  392    H    THR  53           HN       THR  53  28.079  -7.147 -19.290
  393    HA   THR  53           HA       THR  53  26.697  -4.604 -19.673
  394    HB   THR  53           HB       THR  53  28.487  -3.448 -20.757
  395    HG1  THR  53           HG1      THR  53  30.365  -4.392 -21.267
  396   HG21  THR  53          HG21      THR  53  30.102  -3.137 -18.977
  397   HG22  THR  53          HG22      THR  53  29.685  -4.694 -18.269
  398   HG23  THR  53          HG23      THR  53  28.517  -3.376 -18.255
  399    H    VAL  54           HN       VAL  54  25.559  -4.656 -21.555
  400    HA   VAL  54           HA       VAL  54  26.310  -6.715 -23.568
  401    HB   VAL  54           HB       VAL  54  24.114  -7.067 -22.406
  402   HG11  VAL  54          HG11      VAL  54  23.171  -4.652 -23.946
  403   HG12  VAL  54          HG12      VAL  54  23.687  -4.538 -22.265
  404   HG13  VAL  54          HG13      VAL  54  22.312  -5.554 -22.701
  405   HG21  VAL  54          HG21      VAL  54  24.563  -7.905 -24.711
  406   HG22  VAL  54          HG22      VAL  54  23.919  -6.398 -25.362
  407   HG23  VAL  54          HG23      VAL  54  22.865  -7.496 -24.474
  408    H    THR  55           HN       THR  55  27.025  -5.940 -25.446
  409    HA   THR  55           HA       THR  55  26.245  -3.196 -26.276
  410    HB   THR  55           HB       THR  55  28.644  -3.505 -25.399
  411    HG1  THR  55           HG1      THR  55  27.848  -1.798 -26.780
  412   HG21  THR  55          HG21      THR  55  30.246  -4.589 -26.744
  413   HG22  THR  55          HG22      THR  55  29.179  -4.625 -28.148
  414   HG23  THR  55          HG23      THR  55  28.877  -5.699 -26.783
  415    H    GLU  56           HN       GLU  56  25.151  -3.160 -28.142
  416    HA   GLU  56           HA       GLU  56  25.524  -5.383 -30.070
  417    HB2  GLU  56           HB2      GLU  56  23.306  -4.339 -31.004
  418    HB3  GLU  56           HB1      GLU  56  23.247  -5.345 -29.558
  419    HG2  GLU  56           HG2      GLU  56  23.278  -3.368 -28.131
  420    HG3  GLU  56           HG1      GLU  56  23.434  -2.323 -29.544
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  24.343 -12.272  -4.159
    2    H2   MET   1           HT2      MET   1  25.500 -12.850  -3.057
    3    H3   MET   1           HT3      MET   1  25.657 -13.190  -4.714
    4    HA   MET   1           HA       MET   1  26.283 -10.771  -3.228
    5    HB2  MET   1           HB2      MET   1  28.309 -11.036  -4.274
    6    HB3  MET   1           HB1      MET   1  27.721 -12.655  -4.617
    7    HG2  MET   1           HG2      MET   1  26.706 -11.551  -6.783
    8    HG3  MET   1           HG1      MET   1  27.859 -10.262  -6.446
    9    HE1  MET   1           HE1      MET   1  28.387 -14.535  -7.696
   10    HE2  MET   1           HE2      MET   1  27.091 -13.804  -6.758
   11    HE3  MET   1           HE3      MET   1  28.528 -14.407  -5.940
   12    H    GLN   2           HN       GLN   2  26.886  -8.966  -5.154
   13    HA   GLN   2           HA       GLN   2  24.262  -8.404  -6.435
   14    HB2  GLN   2           HB2      GLN   2  26.329  -6.626  -5.152
   15    HB3  GLN   2           HB1      GLN   2  25.187  -5.972  -6.327
   16    HG2  GLN   2           HG2      GLN   2  24.121  -7.644  -4.060
   17    HG3  GLN   2           HG1      GLN   2  24.600  -5.982  -3.732
   18   HE21  GLN   2          HE21      GLN   2  22.275  -5.416  -3.363
   19   HE22  GLN   2          HE22      GLN   2  21.227  -5.233  -4.685
   20    H    TYR   3           HN       TYR   3  24.174  -8.057  -8.554
   21    HA   TYR   3           HA       TYR   3  26.698  -7.739 -10.091
   22    HB2  TYR   3           HB2      TYR   3  24.310  -9.517 -10.605
   23    HB3  TYR   3           HB1      TYR   3  25.362  -8.998 -11.921
   24    HD1  TYR   3           HD2      TYR   3  27.972  -9.231 -11.381
   25    HD2  TYR   3           HD1      TYR   3  24.850 -11.532  -9.533
   26    HE1  TYR   3           HE2      TYR   3  29.612 -11.003 -10.816
   27    HE2  TYR   3           HE1      TYR   3  26.491 -13.302  -8.970
   28    HH   TYR   3           HH       TYR   3  29.902 -12.826  -9.323
   29    H    LYS   4           HN       LYS   4  26.674  -6.144 -11.605
   30    HA   LYS   4           HA       LYS   4  24.114  -4.687 -12.032
   31    HB2  LYS   4           HB2      LYS   4  25.872  -3.494 -10.648
   32    HB3  LYS   4           HB1      LYS   4  26.882  -3.476 -12.092
   33    HG2  LYS   4           HG2      LYS   4  25.090  -2.276 -13.318
   34    HG3  LYS   4           HG1      LYS   4  24.111  -2.257 -11.848
   35    HD2  LYS   4           HD2      LYS   4  25.748  -0.905 -10.686
   36    HD3  LYS   4           HD1      LYS   4  26.899  -1.070 -12.012
   37    HE2  LYS   4           HE2      LYS   4  25.972   1.058 -12.383
   38    HE3  LYS   4           HE1      LYS   4  25.033   0.033 -13.465
   39    HZ1  LYS   4           HZ1      LYS   4  24.249   1.005 -10.775
   40    HZ2  LYS   4           HZ2      LYS   4  23.383  -0.174 -11.637
   41    HZ3  LYS   4           HZ3      LYS   4  23.532   1.399 -12.260
   42    H    LEU   5           HN       LEU   5  23.442  -4.546 -14.056
   43    HA   LEU   5           HA       LEU   5  25.307  -5.199 -16.252
   44    HB2  LEU   5           HB2      LEU   5  23.568  -6.810 -16.177
   45    HB3  LEU   5           HB1      LEU   5  22.341  -5.593 -15.898
   46    HG   LEU   5           HG       LEU   5  22.405  -6.601 -18.228
   47   HD11  LEU   5          HD11      LEU   5  21.724  -4.047 -17.466
   48   HD12  LEU   5          HD12      LEU   5  21.426  -4.746 -19.049
   49   HD13  LEU   5          HD13      LEU   5  22.842  -3.746 -18.786
   50   HD21  LEU   5          HD21      LEU   5  24.708  -4.796 -18.867
   51   HD22  LEU   5          HD22      LEU   5  24.144  -6.227 -19.708
   52   HD23  LEU   5          HD23      LEU   5  25.041  -6.392 -18.204
   53    H    ILE   6           HN       ILE   6  25.803  -3.616 -17.663
   54    HA   ILE   6           HA       ILE   6  24.369  -1.040 -17.455
   55    HB   ILE   6           HB       ILE   6  26.927  -1.632 -18.949
   56   HG12  ILE   6          HG12      ILE   6  27.333  -2.195 -16.629
   57   HG13  ILE   6          HG11      ILE   6  28.048  -0.613 -16.935
   58   HG21  ILE   6          HG21      ILE   6  27.224   0.837 -18.635
   59   HG22  ILE   6          HG22      ILE   6  25.595   0.899 -17.964
   60   HG23  ILE   6          HG23      ILE   6  25.839   0.410 -19.641
   61   HD11  ILE   6          HD11      ILE   6  25.517  -1.271 -15.433
   62   HD12  ILE   6          HD12      ILE   6  25.787   0.341 -16.092
   63   HD13  ILE   6          HD13      ILE   6  26.899  -0.317 -14.898
   64    H    LEU   7           HN       LEU   7  23.138  -0.283 -19.039
   65    HA   LEU   7           HA       LEU   7  22.758  -1.947 -21.421
   66    HB2  LEU   7           HB2      LEU   7  21.190   0.263 -20.106
   67    HB3  LEU   7           HB1      LEU   7  20.867  -0.170 -21.781
   68    HG   LEU   7           HG       LEU   7  20.711  -2.630 -20.838
   69   HD11  LEU   7          HD11      LEU   7  21.517  -1.834 -18.540
   70   HD12  LEU   7          HD12      LEU   7  20.066  -2.830 -18.559
   71   HD13  LEU   7          HD13      LEU   7  19.932  -1.084 -18.359
   72   HD21  LEU   7          HD21      LEU   7  18.296  -2.224 -20.309
   73   HD22  LEU   7          HD22      LEU   7  18.821  -1.472 -21.814
   74   HD23  LEU   7          HD23      LEU   7  18.620  -0.492 -20.362
   75    H    ASN   8           HN       ASN   8  24.049  -1.560 -23.042
   76    HA   ASN   8           HA       ASN   8  24.402   1.220 -23.983
   77    HB2  ASN   8           HB2      ASN   8  26.505   0.688 -22.965
   78    HB3  ASN   8           HB1      ASN   8  26.504  -0.931 -23.657
   79   HD21  ASN   8          HD21      ASN   8  27.931  -1.080 -25.382
   80   HD22  ASN   8          HD22      ASN   8  28.262   0.168 -26.485
   81    H    GLY   9           HN       GLY   9  22.699   0.768 -25.454
   82    HA2  GLY   9           HA2      GLY   9  23.400  -1.154 -27.606
   83    HA3  GLY   9           HA1      GLY   9  21.750  -0.878 -27.068
   84    H    LYS  10           HN       LYS  10  21.009  -0.221 -29.063
   85    HA   LYS  10           HA       LYS  10  22.308   1.911 -30.507
   86    HB2  LYS  10           HB2      LYS  10  19.528   0.849 -31.015
   87    HB3  LYS  10           HB1      LYS  10  20.638   1.601 -32.162
   88    HG2  LYS  10           HG2      LYS  10  22.229  -0.339 -31.700
   89    HG3  LYS  10           HG1      LYS  10  20.886  -1.119 -30.864
   90    HD2  LYS  10           HD2      LYS  10  19.526  -0.734 -32.999
   91    HD3  LYS  10           HD1      LYS  10  21.058  -0.340 -33.779
   92    HE2  LYS  10           HE2      LYS  10  21.919  -2.579 -32.886
   93    HE3  LYS  10           HE1      LYS  10  20.238  -2.958 -32.510
   94    HZ1  LYS  10           HZ1      LYS  10  19.777  -2.348 -34.909
   95    HZ2  LYS  10           HZ2      LYS  10  20.598  -3.810 -34.639
   96    HZ3  LYS  10           HZ3      LYS  10  21.453  -2.436 -35.155
   97    H    THR  11           HN       THR  11  19.182   1.648 -28.716
   98    HA   THR  11           HA       THR  11  19.268   4.599 -28.387
   99    HB   THR  11           HB       THR  11  16.781   4.587 -28.602
  100    HG1  THR  11           HG1      THR  11  15.930   2.698 -29.651
  101   HG21  THR  11          HG21      THR  11  16.785   4.426 -31.047
  102   HG22  THR  11          HG22      THR  11  18.291   3.508 -30.999
  103   HG23  THR  11          HG23      THR  11  18.270   5.197 -30.490
  104    H    LEU  12           HN       LEU  12  18.725   1.495 -26.930
  105    HA   LEU  12           HA       LEU  12  17.455   2.660 -24.573
  106    HB2  LEU  12           HB2      LEU  12  17.053   0.298 -25.791
  107    HB3  LEU  12           HB1      LEU  12  18.289  -0.215 -24.649
  108    HG   LEU  12           HG       LEU  12  15.611   1.059 -24.024
  109   HD11  LEU  12          HD11      LEU  12  16.758  -1.496 -22.908
  110   HD12  LEU  12          HD12      LEU  12  15.957  -1.492 -24.478
  111   HD13  LEU  12          HD13      LEU  12  15.067  -1.011 -23.033
  112   HD21  LEU  12          HD21      LEU  12  18.073   0.682 -22.310
  113   HD22  LEU  12          HD22      LEU  12  16.469   0.662 -21.588
  114   HD23  LEU  12          HD23      LEU  12  17.030   2.097 -22.432
  115    H    LYS  13           HN       LYS  13  18.641   3.455 -22.942
  116    HA   LYS  13           HA       LYS  13  21.158   2.112 -22.186
  117    HB2  LYS  13           HB2      LYS  13  20.847   5.057 -22.821
  118    HB3  LYS  13           HB1      LYS  13  22.142   4.451 -21.798
  119    HG2  LYS  13           HG2      LYS  13  23.281   4.302 -23.794
  120    HG3  LYS  13           HG1      LYS  13  22.438   2.763 -23.924
  121    HD2  LYS  13           HD2      LYS  13  20.535   4.292 -25.018
  122    HD3  LYS  13           HD1      LYS  13  21.901   5.355 -25.347
  123    HE2  LYS  13           HE2      LYS  13  21.789   3.979 -27.262
  124    HE3  LYS  13           HE1      LYS  13  23.058   3.231 -26.290
  125    HZ1  LYS  13           HZ1      LYS  13  20.280   2.376 -25.898
  126    HZ2  LYS  13           HZ2      LYS  13  21.716   1.494 -25.700
  127    HZ3  LYS  13           HZ3      LYS  13  21.117   1.809 -27.259
  128    H    GLY  14           HN       GLY  14  21.524   2.032 -20.043
  129    HA2  GLY  14           HA2      GLY  14  20.601   3.756 -18.062
  130    HA3  GLY  14           HA1      GLY  14  19.372   2.508 -18.253
  131    H    GLU  15           HN       GLU  15  19.837   1.756 -16.096
  132    HA   GLU  15           HA       GLU  15  22.229   0.011 -15.961
  133    HB2  GLU  15           HB2      GLU  15  21.150   1.504 -13.566
  134    HB3  GLU  15           HB1      GLU  15  22.651   0.592 -13.696
  135    HG2  GLU  15           HG2      GLU  15  22.110   3.035 -15.387
  136    HG3  GLU  15           HG1      GLU  15  22.841   3.138 -13.792
  137    H    THR  16           HN       THR  16  21.943  -1.890 -14.734
  138    HA   THR  16           HA       THR  16  19.296  -2.425 -13.589
  139    HB   THR  16           HB       THR  16  20.401  -4.376 -15.597
  140    HG1  THR  16           HG1      THR  16  18.352  -2.925 -16.529
  141   HG21  THR  16          HG21      THR  16  18.236  -5.302 -15.568
  142   HG22  THR  16          HG22      THR  16  17.529  -3.841 -14.876
  143   HG23  THR  16          HG23      THR  16  18.537  -4.891 -13.880
  144    H    THR  17           HN       THR  17  19.507  -3.573 -11.753
  145    HA   THR  17           HA       THR  17  21.934  -5.240 -11.391
  146    HB   THR  17           HB       THR  17  20.714  -3.691  -9.112
  147    HG1  THR  17           HG1      THR  17  22.465  -2.812 -11.128
  148   HG21  THR  17          HG21      THR  17  22.782  -4.094  -8.050
  149   HG22  THR  17          HG22      THR  17  23.597  -4.446  -9.572
  150   HG23  THR  17          HG23      THR  17  22.452  -5.604  -8.897
  151    H    THR  18           HN       THR  18  21.712  -6.952  -9.856
  152    HA   THR  18           HA       THR  18  19.037  -7.657  -8.943
  153    HB   THR  18           HB       THR  18  19.305  -8.532 -11.327
  154    HG1  THR  18           HG1      THR  18  17.828  -9.693 -10.396
  155   HG21  THR  18          HG21      THR  18  20.806 -10.278 -11.789
  156   HG22  THR  18          HG22      THR  18  21.084 -10.617 -10.083
  157   HG23  THR  18          HG23      THR  18  21.779  -9.174 -10.818
  158    H    GLU  19           HN       GLU  19  19.069  -9.309  -7.355
  159    HA   GLU  19           HA       GLU  19  21.719  -9.645  -6.083
  160    HB2  GLU  19           HB2      GLU  19  19.488  -8.611  -4.990
  161    HB3  GLU  19           HB1      GLU  19  19.166 -10.308  -4.651
  162    HG2  GLU  19           HG2      GLU  19  21.545  -8.657  -3.773
  163    HG3  GLU  19           HG1      GLU  19  20.349  -9.456  -2.755
  164    H    ALA  20           HN       ALA  20  22.611 -11.488  -6.800
  165    HA   ALA  20           HA       ALA  20  21.072 -14.000  -6.515
  166    HB1  ALA  20           HB1      ALA  20  22.296 -14.801  -8.598
  167    HB2  ALA  20           HB2      ALA  20  22.704 -13.112  -8.900
  168    HB3  ALA  20           HB3      ALA  20  21.015 -13.620  -8.870
  169    H    VAL  21           HN       VAL  21  22.471 -15.906  -6.419
  170    HA   VAL  21           HA       VAL  21  24.844 -15.369  -4.800
  171    HB   VAL  21           HB       VAL  21  23.498 -17.037  -3.836
  172   HG11  VAL  21          HG11      VAL  21  22.641 -18.983  -5.206
  173   HG12  VAL  21          HG12      VAL  21  23.186 -18.123  -6.643
  174   HG13  VAL  21          HG13      VAL  21  21.935 -17.421  -5.619
  175   HG21  VAL  21          HG21      VAL  21  25.955 -17.699  -4.242
  176   HG22  VAL  21          HG22      VAL  21  25.339 -18.748  -5.518
  177   HG23  VAL  21          HG23      VAL  21  24.835 -19.003  -3.847
  178    H    ASP  22           HN       ASP  22  23.903 -16.941  -7.828
  179    HA   ASP  22           HA       ASP  22  26.748 -17.372  -8.509
  180    HB2  ASP  22           HB2      ASP  22  25.086 -19.262  -8.683
  181    HB3  ASP  22           HB1      ASP  22  24.319 -18.369  -9.995
  182    H    ALA  23           HN       ALA  23  27.575 -16.736 -10.510
  183    HA   ALA  23           HA       ALA  23  26.642 -14.173 -11.416
  184    HB1  ALA  23           HB1      ALA  23  28.599 -14.107 -12.732
  185    HB2  ALA  23           HB2      ALA  23  28.730 -15.865 -12.779
  186    HB3  ALA  23           HB3      ALA  23  29.071 -14.994 -11.283
  187    H    ALA  24           HN       ALA  24  26.649 -17.464 -12.706
  188    HA   ALA  24           HA       ALA  24  25.675 -16.799 -15.287
  189    HB1  ALA  24           HB1      ALA  24  26.809 -18.941 -14.752
  190    HB2  ALA  24           HB2      ALA  24  25.251 -19.186 -15.540
  191    HB3  ALA  24           HB3      ALA  24  25.405 -19.422 -13.799
  192    H    THR  25           HN       THR  25  23.976 -17.720 -12.251
  193    HA   THR  25           HA       THR  25  21.412 -17.956 -13.433
  194    HB   THR  25           HB       THR  25  22.254 -18.680 -11.056
  195    HG1  THR  25           HG1      THR  25  20.258 -19.255 -11.467
  196   HG21  THR  25          HG21      THR  25  20.870 -16.151 -10.198
  197   HG22  THR  25          HG22      THR  25  22.604 -16.129 -10.500
  198   HG23  THR  25          HG23      THR  25  21.941 -17.202  -9.271
  199    H    ALA  26           HN       ALA  26  23.232 -15.203 -12.241
  200    HA   ALA  26           HA       ALA  26  21.076 -13.345 -12.215
  201    HB1  ALA  26           HB1      ALA  26  23.945 -12.576 -12.711
  202    HB2  ALA  26           HB2      ALA  26  23.420 -13.151 -11.129
  203    HB3  ALA  26           HB3      ALA  26  22.700 -11.697 -11.821
  204    H    GLU  27           HN       GLU  27  23.360 -14.402 -14.668
  205    HA   GLU  27           HA       GLU  27  22.829 -12.409 -16.593
  206    HB2  GLU  27           HB2      GLU  27  24.370 -13.545 -17.837
  207    HB3  GLU  27           HB1      GLU  27  24.574 -14.543 -16.402
  208    HG2  GLU  27           HG2      GLU  27  22.734 -16.046 -17.306
  209    HG3  GLU  27           HG1      GLU  27  22.815 -15.119 -18.803
  210    H    LYS  28           HN       LYS  28  21.102 -15.290 -15.676
  211    HA   LYS  28           HA       LYS  28  19.572 -15.722 -17.976
  212    HB2  LYS  28           HB2      LYS  28  18.785 -16.073 -15.071
  213    HB3  LYS  28           HB1      LYS  28  17.904 -16.744 -16.444
  214    HG2  LYS  28           HG2      LYS  28  20.028 -17.918 -17.132
  215    HG3  LYS  28           HG1      LYS  28  20.746 -17.383 -15.611
  216    HD2  LYS  28           HD2      LYS  28  18.892 -18.525 -14.379
  217    HD3  LYS  28           HD1      LYS  28  18.288 -19.139 -15.919
  218    HE2  LYS  28           HE2      LYS  28  20.201 -20.501 -16.261
  219    HE3  LYS  28           HE1      LYS  28  21.145 -19.628 -15.057
  220    HZ1  LYS  28           HZ1      LYS  28  20.454 -21.057 -13.498
  221    HZ2  LYS  28           HZ2      LYS  28  19.597 -21.936 -14.673
  222    HZ3  LYS  28           HZ3      LYS  28  18.829 -20.686 -13.818
  223    H    VAL  29           HN       VAL  29  19.021 -13.559 -15.225
  224    HA   VAL  29           HA       VAL  29  16.529 -12.550 -16.185
  225    HB   VAL  29           HB       VAL  29  18.437 -11.163 -14.298
  226   HG11  VAL  29          HG11      VAL  29  16.276 -10.320 -13.354
  227   HG12  VAL  29          HG12      VAL  29  15.428 -11.123 -14.675
  228   HG13  VAL  29          HG13      VAL  29  16.548  -9.805 -15.018
  229   HG21  VAL  29          HG21      VAL  29  16.436 -13.386 -13.797
  230   HG22  VAL  29          HG22      VAL  29  17.114 -12.380 -12.516
  231   HG23  VAL  29          HG23      VAL  29  18.168 -13.420 -13.474
  232    H    PHE  30           HN       PHE  30  19.835 -11.222 -16.164
  233    HA   PHE  30           HA       PHE  30  19.265  -8.845 -17.541
  234    HB2  PHE  30           HB2      PHE  30  21.822 -10.442 -17.384
  235    HB3  PHE  30           HB1      PHE  30  21.708  -8.816 -18.047
  236    HD1  PHE  30           HD2      PHE  30  20.276  -7.138 -16.402
  237    HD2  PHE  30           HD1      PHE  30  22.550 -10.575 -15.168
  238    HE1  PHE  30           HE2      PHE  30  20.475  -6.195 -14.123
  239    HE2  PHE  30           HE1      PHE  30  22.756  -9.617 -12.896
  240    HZ   PHE  30           HZ       PHE  30  21.717  -7.428 -12.371
  241    H    LYS  31           HN       LYS  31  20.342 -12.011 -18.802
  242    HA   LYS  31           HA       LYS  31  20.518 -11.090 -21.500
  243    HB2  LYS  31           HB2      LYS  31  20.303 -13.872 -20.325
  244    HB3  LYS  31           HB1      LYS  31  20.477 -13.564 -22.053
  245    HG2  LYS  31           HG2      LYS  31  22.548 -12.122 -21.346
  246    HG3  LYS  31           HG1      LYS  31  22.445 -13.015 -19.831
  247    HD2  LYS  31           HD2      LYS  31  22.541 -15.147 -21.126
  248    HD3  LYS  31           HD1      LYS  31  22.758 -14.205 -22.601
  249    HE2  LYS  31           HE2      LYS  31  24.755 -13.106 -21.380
  250    HE3  LYS  31           HE1      LYS  31  24.631 -14.455 -20.250
  251    HZ1  LYS  31           HZ1      LYS  31  25.093 -14.596 -23.174
  252    HZ2  LYS  31           HZ2      LYS  31  24.744 -15.951 -22.210
  253    HZ3  LYS  31           HZ3      LYS  31  26.163 -15.055 -21.941
  254    H    GLN  32           HN       GLN  32  17.997 -12.723 -19.630
  255    HA   GLN  32           HA       GLN  32  16.183 -12.934 -21.842
  256    HB2  GLN  32           HB2      GLN  32  16.157 -14.364 -19.747
  257    HB3  GLN  32           HB1      GLN  32  15.485 -12.967 -18.903
  258    HG2  GLN  32           HG2      GLN  32  13.604 -14.258 -19.594
  259    HG3  GLN  32           HG1      GLN  32  13.691 -12.908 -20.721
  260   HE21  GLN  32          HE21      GLN  32  13.281 -13.627 -22.822
  261   HE22  GLN  32          HE22      GLN  32  13.822 -15.102 -23.464
  262    H    TYR  33           HN       TYR  33  16.840 -10.596 -19.321
  263    HA   TYR  33           HA       TYR  33  14.499  -9.015 -19.692
  264    HB2  TYR  33           HB2      TYR  33  15.686  -8.864 -17.608
  265    HB3  TYR  33           HB1      TYR  33  17.182  -8.433 -18.436
  266    HD1  TYR  33           HD1      TYR  33  13.769  -7.276 -17.583
  267    HD2  TYR  33           HD2      TYR  33  17.598  -6.199 -19.203
  268    HE1  TYR  33           HE1      TYR  33  13.133  -4.882 -17.491
  269    HE2  TYR  33           HE2      TYR  33  16.962  -3.803 -19.110
  270    HH   TYR  33           HH       TYR  33  15.125  -2.451 -17.510
  271    H    ALA  34           HN       ALA  34  17.826  -8.821 -20.931
  272    HA   ALA  34           HA       ALA  34  17.618  -6.338 -22.209
  273    HB1  ALA  34           HB1      ALA  34  19.684  -7.871 -21.840
  274    HB2  ALA  34           HB2      ALA  34  19.621  -6.871 -23.289
  275    HB3  ALA  34           HB3      ALA  34  19.228  -8.588 -23.385
  276    H    ASN  35           HN       ASN  35  16.695  -9.591 -23.320
  277    HA   ASN  35           HA       ASN  35  16.126  -8.887 -25.999
  278    HB2  ASN  35           HB2      ASN  35  16.311 -11.231 -24.962
  279    HB3  ASN  35           HB1      ASN  35  14.650 -10.996 -24.424
  280   HD21  ASN  35          HD21      ASN  35  15.102 -13.061 -26.266
  281   HD22  ASN  35          HD22      ASN  35  14.494 -12.617 -27.787
  282    H    ASP  36           HN       ASP  36  14.130  -9.012 -23.065
  283    HA   ASP  36           HA       ASP  36  11.705  -8.177 -24.287
  284    HB2  ASP  36           HB2      ASP  36  12.427  -7.665 -21.404
  285    HB3  ASP  36           HB1      ASP  36  10.848  -8.041 -22.098
  286    H    ASN  37           HN       ASN  37  14.528  -6.499 -23.164
  287    HA   ASN  37           HA       ASN  37  13.210  -3.914 -23.038
  288    HB2  ASN  37           HB2      ASN  37  15.655  -5.105 -22.086
  289    HB3  ASN  37           HB1      ASN  37  16.061  -3.659 -22.989
  290   HD21  ASN  37          HD21      ASN  37  16.616  -2.435 -21.068
  291   HD22  ASN  37          HD22      ASN  37  15.441  -1.948 -19.946
  292    H    GLY  38           HN       GLY  38  15.031  -5.775 -25.375
  293    HA2  GLY  38           HA2      GLY  38  14.660  -5.217 -27.718
  294    HA3  GLY  38           HA1      GLY  38  14.783  -3.518 -27.291
  295    H    VAL  39           HN       VAL  39  17.163  -3.769 -25.619
  296    HA   VAL  39           HA       VAL  39  19.105  -3.773 -27.767
  297    HB   VAL  39           HB       VAL  39  19.427  -2.032 -26.230
  298   HG11  VAL  39          HG11      VAL  39  18.036  -2.741 -24.418
  299   HG12  VAL  39          HG12      VAL  39  19.650  -2.493 -23.753
  300   HG13  VAL  39          HG13      VAL  39  19.072  -4.125 -24.079
  301   HG21  VAL  39          HG21      VAL  39  21.523  -3.361 -26.777
  302   HG22  VAL  39          HG22      VAL  39  21.351  -4.132 -25.202
  303   HG23  VAL  39          HG23      VAL  39  21.614  -2.394 -25.307
  304    H    ASP  40           HN       ASP  40  19.834  -5.636 -28.515
  305    HA   ASP  40           HA       ASP  40  20.808  -7.683 -26.595
  306    HB2  ASP  40           HB2      ASP  40  18.641  -8.236 -27.917
  307    HB3  ASP  40           HB1      ASP  40  19.702  -8.378 -29.315
  308    H    GLY  41           HN       GLY  41  23.020  -7.578 -26.732
  309    HA2  GLY  41           HA2      GLY  41  24.225  -7.688 -29.432
  310    HA3  GLY  41           HA1      GLY  41  24.751  -6.434 -28.317
  311    H    GLU  42           HN       GLU  42  26.904  -7.307 -28.433
  312    HA   GLU  42           HA       GLU  42  27.446  -9.993 -27.601
  313    HB2  GLU  42           HB2      GLU  42  29.477  -7.770 -27.597
  314    HB3  GLU  42           HB1      GLU  42  29.704  -9.480 -27.959
  315    HG2  GLU  42           HG2      GLU  42  28.260  -9.176 -29.990
  316    HG3  GLU  42           HG1      GLU  42  28.236  -7.445 -29.657
  317    H    TRP  43           HN       TRP  43  27.804 -10.750 -25.625
  318    HA   TRP  43           HA       TRP  43  27.541  -8.912 -23.347
  319    HB2  TRP  43           HB2      TRP  43  27.255 -11.900 -23.665
  320    HB3  TRP  43           HB1      TRP  43  27.251 -11.104 -22.090
  321    HD1  TRP  43           HD1      TRP  43  25.229 -11.322 -25.344
  322    HE1  TRP  43           HE1      TRP  43  22.862 -10.401 -24.891
  323    HE3  TRP  43           HE3      TRP  43  25.865  -9.596 -20.595
  324    HZ2  TRP  43           HZ2      TRP  43  21.429  -9.111 -22.777
  325    HZ3  TRP  43           HZ3      TRP  43  23.995  -8.533 -19.382
  326    HH2  TRP  43           HH2      TRP  43  21.777  -8.284 -20.461
  327    H    THR  44           HN       THR  44  28.782  -9.279 -21.454
  328    HA   THR  44           HA       THR  44  31.316 -10.668 -21.606
  329    HB   THR  44           HB       THR  44  31.994  -8.642 -22.728
  330    HG1  THR  44           HG1      THR  44  32.665  -8.207 -20.026
  331   HG21  THR  44          HG21      THR  44  30.320  -7.058 -22.319
  332   HG22  THR  44          HG22      THR  44  31.665  -6.440 -21.363
  333   HG23  THR  44          HG23      THR  44  30.354  -7.317 -20.574
  334    H    TYR  45           HN       TYR  45  32.526 -10.299 -19.417
  335    HA   TYR  45           HA       TYR  45  31.091  -9.182 -17.245
  336    HB2  TYR  45           HB2      TYR  45  29.497 -10.885 -17.385
  337    HB3  TYR  45           HB1      TYR  45  30.687 -12.100 -17.828
  338    HD1  TYR  45           HD1      TYR  45  30.745  -9.621 -14.999
  339    HD2  TYR  45           HD2      TYR  45  30.529 -13.751 -16.167
  340    HE1  TYR  45           HE1      TYR  45  30.938 -10.309 -12.631
  341    HE2  TYR  45           HE2      TYR  45  30.723 -14.433 -13.794
  342    HH   TYR  45           HH       TYR  45  30.676 -13.716 -11.671
  343    H    ASP  46           HN       ASP  46  32.362  -8.926 -15.541
  344    HA   ASP  46           HA       ASP  46  34.839 -10.546 -15.331
  345    HB2  ASP  46           HB2      ASP  46  35.528  -8.367 -16.073
  346    HB3  ASP  46           HB1      ASP  46  34.453  -7.569 -14.925
  347    H    ASP  47           HN       ASP  47  34.583 -11.819 -13.571
  348    HA   ASP  47           HA       ASP  47  32.725 -11.297 -11.490
  349    HB2  ASP  47           HB2      ASP  47  33.632 -13.559 -12.182
  350    HB3  ASP  47           HB1      ASP  47  35.114 -13.135 -11.327
  351    H    ALA  48           HN       ALA  48  35.857 -10.110 -12.091
  352    HA   ALA  48           HA       ALA  48  36.595  -9.663  -9.335
  353    HB1  ALA  48           HB1      ALA  48  38.547  -8.641 -10.192
  354    HB2  ALA  48           HB2      ALA  48  37.781  -8.290 -11.741
  355    HB3  ALA  48           HB3      ALA  48  38.188  -9.952 -11.317
  356    H    THR  49           HN       THR  49  34.539  -8.075 -11.579
  357    HA   THR  49           HA       THR  49  34.491  -5.658  -9.849
  358    HB   THR  49           HB       THR  49  33.756  -4.478 -12.069
  359    HG1  THR  49           HG1      THR  49  35.243  -5.723 -13.697
  360   HG21  THR  49          HG21      THR  49  36.093  -3.956 -12.598
  361   HG22  THR  49          HG22      THR  49  36.630  -5.365 -11.684
  362   HG23  THR  49          HG23      THR  49  35.860  -4.014 -10.851
  363    H    LYS  50           HN       LYS  50  32.802  -8.333 -10.670
  364    HA   LYS  50           HA       LYS  50  30.548  -8.858 -10.879
  365    HB2  LYS  50           HB2      LYS  50  30.237  -6.646  -8.849
  366    HB3  LYS  50           HB1      LYS  50  29.264  -8.107  -9.016
  367    HG2  LYS  50           HG2      LYS  50  32.208  -8.056  -8.282
  368    HG3  LYS  50           HG1      LYS  50  30.883  -8.286  -7.143
  369    HD2  LYS  50           HD2      LYS  50  30.171 -10.257  -8.661
  370    HD3  LYS  50           HD1      LYS  50  31.785 -10.126  -9.362
  371    HE2  LYS  50           HE2      LYS  50  32.807 -10.462  -7.171
  372    HE3  LYS  50           HE1      LYS  50  31.218 -10.487  -6.406
  373    HZ1  LYS  50           HZ1      LYS  50  32.583 -12.553  -7.880
  374    HZ2  LYS  50           HZ2      LYS  50  30.960 -12.341  -8.341
  375    HZ3  LYS  50           HZ3      LYS  50  31.350 -12.681  -6.722
  376    H    THR  51           HN       THR  51  30.988  -7.474 -13.076
  377    HA   THR  51           HA       THR  51  28.608  -5.762 -13.322
  378    HB   THR  51           HB       THR  51  31.367  -4.864 -14.196
  379    HG1  THR  51           HG1      THR  51  30.453  -3.108 -12.648
  380   HG21  THR  51          HG21      THR  51  30.065  -2.724 -14.683
  381   HG22  THR  51          HG22      THR  51  28.597  -3.688 -14.518
  382   HG23  THR  51          HG23      THR  51  29.764  -4.068 -15.785
  383    H    PHE  52           HN       PHE  52  27.491  -6.239 -15.109
  384    HA   PHE  52           HA       PHE  52  28.810  -7.739 -17.298
  385    HB2  PHE  52           HB2      PHE  52  25.961  -7.610 -16.295
  386    HB3  PHE  52           HB1      PHE  52  26.366  -8.268 -17.879
  387    HD1  PHE  52           HD2      PHE  52  27.674  -8.539 -14.347
  388    HD2  PHE  52           HD1      PHE  52  26.600 -10.579 -17.978
  389    HE1  PHE  52           HE2      PHE  52  28.261 -10.708 -13.310
  390    HE2  PHE  52           HE1      PHE  52  27.181 -12.744 -16.927
  391    HZ   PHE  52           HZ       PHE  52  28.013 -12.809 -14.596
  392    H    THR  53           HN       THR  53  28.269  -7.094 -19.497
  393    HA   THR  53           HA       THR  53  26.798  -4.595 -19.853
  394    HB   THR  53           HB       THR  53  28.569  -3.401 -20.964
  395    HG1  THR  53           HG1      THR  53  30.476  -4.289 -21.401
  396   HG21  THR  53          HG21      THR  53  29.725  -4.515 -18.395
  397   HG22  THR  53          HG22      THR  53  28.471  -3.278 -18.453
  398   HG23  THR  53          HG23      THR  53  30.064  -2.946 -19.123
  399    H    VAL  54           HN       VAL  54  25.653  -4.660 -21.723
  400    HA   VAL  54           HA       VAL  54  26.451  -6.679 -23.758
  401    HB   VAL  54           HB       VAL  54  24.286  -7.151 -22.635
  402   HG11  VAL  54          HG11      VAL  54  23.811  -4.646 -22.297
  403   HG12  VAL  54          HG12      VAL  54  22.448  -5.661 -22.762
  404   HG13  VAL  54          HG13      VAL  54  23.244  -4.651 -23.966
  405   HG21  VAL  54          HG21      VAL  54  24.778  -7.668 -25.095
  406   HG22  VAL  54          HG22      VAL  54  23.820  -6.241 -25.486
  407   HG23  VAL  54          HG23      VAL  54  23.073  -7.602 -24.649
  408    H    THR  55           HN       THR  55  27.128  -5.879 -25.638
  409    HA   THR  55           HA       THR  55  26.263  -3.157 -26.453
  410    HB   THR  55           HB       THR  55  28.679  -3.402 -25.597
  411    HG1  THR  55           HG1      THR  55  29.401  -2.086 -27.383
  412   HG21  THR  55          HG21      THR  55  28.977  -5.574 -26.981
  413   HG22  THR  55          HG22      THR  55  30.300  -4.411 -26.986
  414   HG23  THR  55          HG23      THR  55  29.199  -4.496 -28.361
  415    H    GLU  56           HN       GLU  56  25.175  -3.127 -28.311
  416    HA   GLU  56           HA       GLU  56  25.537  -5.349 -30.240
  417    HB2  GLU  56           HB2      GLU  56  23.309  -4.260 -31.150
  418    HB3  GLU  56           HB1      GLU  56  23.262  -5.315 -29.739
  419    HG2  GLU  56           HG2      GLU  56  23.335  -3.377 -28.248
  420    HG3  GLU  56           HG1      GLU  56  23.449  -2.293 -29.636
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  25.565 -11.434  -2.119
    2    H2   MET   1           HT2      MET   1  26.302 -12.464  -3.252
    3    H3   MET   1           HT3      MET   1  24.838 -11.691  -3.630
    4    HA   MET   1           HA       MET   1  26.780  -9.782  -2.877
    5    HB2  MET   1           HB2      MET   1  28.611 -10.283  -4.180
    6    HB3  MET   1           HB1      MET   1  28.038 -11.932  -3.986
    7    HG2  MET   1           HG2      MET   1  26.631 -11.446  -6.140
    8    HG3  MET   1           HG1      MET   1  27.750 -10.101  -6.366
    9    HE1  MET   1           HE1      MET   1  28.445 -14.572  -6.684
   10    HE2  MET   1           HE2      MET   1  26.950 -13.653  -6.829
   11    HE3  MET   1           HE3      MET   1  27.702 -13.853  -5.250
   12    H    GLN   2           HN       GLN   2  27.080  -8.443  -5.205
   13    HA   GLN   2           HA       GLN   2  24.350  -8.252  -6.361
   14    HB2  GLN   2           HB2      GLN   2  26.182  -6.037  -5.427
   15    HB3  GLN   2           HB1      GLN   2  24.769  -5.768  -6.448
   16    HG2  GLN   2           HG2      GLN   2  23.336  -6.820  -4.730
   17    HG3  GLN   2           HG1      GLN   2  24.749  -7.057  -3.704
   18   HE21  GLN   2          HE21      GLN   2  22.205  -4.880  -4.336
   19   HE22  GLN   2          HE22      GLN   2  22.873  -3.508  -3.598
   20    H    TYR   3           HN       TYR   3  24.201  -7.992  -8.496
   21    HA   TYR   3           HA       TYR   3  26.697  -7.700 -10.083
   22    HB2  TYR   3           HB2      TYR   3  24.155  -9.237 -10.674
   23    HB3  TYR   3           HB1      TYR   3  25.420  -8.932 -11.862
   24    HD1  TYR   3           HD2      TYR   3  27.886  -9.500 -11.000
   25    HD2  TYR   3           HD1      TYR   3  24.268 -11.241  -9.470
   26    HE1  TYR   3           HE2      TYR   3  29.170 -11.451 -10.174
   27    HE2  TYR   3           HE1      TYR   3  25.555 -13.191  -8.645
   28    HH   TYR   3           HH       TYR   3  28.143 -14.209  -9.579
   29    H    LYS   4           HN       LYS   4  26.687  -6.153 -11.673
   30    HA   LYS   4           HA       LYS   4  24.204  -4.534 -11.965
   31    HB2  LYS   4           HB2      LYS   4  26.114  -3.454 -10.696
   32    HB3  LYS   4           HB1      LYS   4  27.035  -3.507 -12.197
   33    HG2  LYS   4           HG2      LYS   4  25.304  -2.173 -13.327
   34    HG3  LYS   4           HG1      LYS   4  24.351  -2.137 -11.842
   35    HD2  LYS   4           HD2      LYS   4  26.067  -0.886 -10.684
   36    HD3  LYS   4           HD1      LYS   4  27.187  -1.080 -12.032
   37    HE2  LYS   4           HE2      LYS   4  26.309   1.116 -12.273
   38    HE3  LYS   4           HE1      LYS   4  25.432   0.145 -13.455
   39    HZ1  LYS   4           HZ1      LYS   4  24.093   1.678 -11.948
   40    HZ2  LYS   4           HZ2      LYS   4  24.392   0.541 -10.722
   41    HZ3  LYS   4           HZ3      LYS   4  23.549   0.081 -12.123
   42    H    LEU   5           HN       LEU   5  23.418  -4.372 -13.962
   43    HA   LEU   5           HA       LEU   5  25.102  -5.219 -16.238
   44    HB2  LEU   5           HB2      LEU   5  22.693  -6.182 -15.552
   45    HB3  LEU   5           HB1      LEU   5  22.148  -4.819 -16.507
   46    HG   LEU   5           HG       LEU   5  23.718  -7.245 -17.380
   47   HD11  LEU   5          HD11      LEU   5  21.278  -5.781 -18.424
   48   HD12  LEU   5          HD12      LEU   5  21.301  -7.327 -17.581
   49   HD13  LEU   5          HD13      LEU   5  22.000  -7.190 -19.188
   50   HD21  LEU   5          HD21      LEU   5  23.883  -6.003 -19.663
   51   HD22  LEU   5          HD22      LEU   5  25.069  -5.606 -18.441
   52   HD23  LEU   5          HD23      LEU   5  23.711  -4.529 -18.717
   53    H    ILE   6           HN       ILE   6  25.723  -3.690 -17.716
   54    HA   ILE   6           HA       ILE   6  24.535  -0.984 -17.493
   55    HB   ILE   6           HB       ILE   6  27.026  -1.814 -18.993
   56   HG12  ILE   6          HG12      ILE   6  27.406  -2.274 -16.644
   57   HG13  ILE   6          HG11      ILE   6  28.225  -0.768 -17.042
   58   HG21  ILE   6          HG21      ILE   6  26.027   0.266 -19.770
   59   HG22  ILE   6          HG22      ILE   6  27.489   0.632 -18.855
   60   HG23  ILE   6          HG23      ILE   6  25.906   0.860 -18.114
   61   HD11  ILE   6          HD11      ILE   6  25.688  -1.174 -15.470
   62   HD12  ILE   6          HD12      ILE   6  26.016   0.372 -16.249
   63   HD13  ILE   6          HD13      ILE   6  27.123  -0.253 -15.032
   64    H    LEU   7           HN       LEU   7  23.272  -0.221 -19.028
   65    HA   LEU   7           HA       LEU   7  22.767  -1.872 -21.401
   66    HB2  LEU   7           HB2      LEU   7  21.309   0.413 -20.076
   67    HB3  LEU   7           HB1      LEU   7  20.915  -0.075 -21.719
   68    HG   LEU   7           HG       LEU   7  20.770  -2.507 -20.618
   69   HD11  LEU   7          HD11      LEU   7  19.735  -2.291 -18.336
   70   HD12  LEU   7          HD12      LEU   7  20.292  -0.622 -18.290
   71   HD13  LEU   7          HD13      LEU   7  21.462  -1.939 -18.374
   72   HD21  LEU   7          HD21      LEU   7  18.358  -2.120 -20.274
   73   HD22  LEU   7          HD22      LEU   7  18.929  -1.324 -21.739
   74   HD23  LEU   7          HD23      LEU   7  18.638  -0.380 -20.279
   75    H    ASN   8           HN       ASN   8  24.039  -1.502 -23.064
   76    HA   ASN   8           HA       ASN   8  24.377   1.277 -24.005
   77    HB2  ASN   8           HB2      ASN   8  26.695   0.529 -24.780
   78    HB3  ASN   8           HB1      ASN   8  26.506   0.831 -23.055
   79   HD21  ASN   8          HD21      ASN   8  28.290  -1.125 -24.701
   80   HD22  ASN   8          HD22      ASN   8  28.050  -2.615 -23.924
   81    H    GLY   9           HN       GLY   9  22.673   0.809 -25.458
   82    HA2  GLY   9           HA2      GLY   9  23.379  -1.103 -27.619
   83    HA3  GLY   9           HA1      GLY   9  21.729  -0.838 -27.075
   84    H    LYS  10           HN       LYS  10  20.944  -0.158 -29.031
   85    HA   LYS  10           HA       LYS  10  22.232   1.972 -30.498
   86    HB2  LYS  10           HB2      LYS  10  19.475   0.824 -30.957
   87    HB3  LYS  10           HB1      LYS  10  20.492   1.682 -32.115
   88    HG2  LYS  10           HG2      LYS  10  22.202  -0.145 -31.867
   89    HG3  LYS  10           HG1      LYS  10  21.050  -1.028 -30.870
   90    HD2  LYS  10           HD2      LYS  10  20.303  -0.072 -33.638
   91    HD3  LYS  10           HD1      LYS  10  21.150  -1.599 -33.400
   92    HE2  LYS  10           HE2      LYS  10  19.328  -2.285 -31.805
   93    HE3  LYS  10           HE1      LYS  10  18.455  -0.820 -32.251
   94    HZ1  LYS  10           HZ1      LYS  10  17.837  -1.696 -34.186
   95    HZ2  LYS  10           HZ2      LYS  10  18.288  -3.198 -33.531
   96    HZ3  LYS  10           HZ3      LYS  10  19.375  -2.332 -34.510
   97    H    THR  11           HN       THR  11  19.134   1.695 -28.662
   98    HA   THR  11           HA       THR  11  19.192   4.650 -28.366
   99    HB   THR  11           HB       THR  11  16.699   4.605 -28.531
  100    HG1  THR  11           HG1      THR  11  15.760   2.751 -28.648
  101   HG21  THR  11          HG21      THR  11  18.278   3.582 -30.907
  102   HG22  THR  11          HG22      THR  11  18.033   5.270 -30.457
  103   HG23  THR  11          HG23      THR  11  16.668   4.297 -31.007
  104    H    LEU  12           HN       LEU  12  18.725   1.559 -26.861
  105    HA   LEU  12           HA       LEU  12  17.497   2.739 -24.484
  106    HB2  LEU  12           HB2      LEU  12  17.078   0.362 -25.682
  107    HB3  LEU  12           HB1      LEU  12  18.329  -0.136 -24.551
  108    HG   LEU  12           HG       LEU  12  15.650   1.129 -23.910
  109   HD11  LEU  12          HD11      LEU  12  16.018  -1.425 -24.328
  110   HD12  LEU  12          HD12      LEU  12  15.138  -0.930 -22.882
  111   HD13  LEU  12          HD13      LEU  12  16.834  -1.395 -22.765
  112   HD21  LEU  12          HD21      LEU  12  18.137   0.818 -22.224
  113   HD22  LEU  12          HD22      LEU  12  16.547   0.767 -21.476
  114   HD23  LEU  12          HD23      LEU  12  17.060   2.207 -22.342
  115    H    LYS  13           HN       LYS  13  18.733   3.553 -22.895
  116    HA   LYS  13           HA       LYS  13  21.247   2.197 -22.173
  117    HB2  LYS  13           HB2      LYS  13  20.981   5.130 -22.883
  118    HB3  LYS  13           HB1      LYS  13  22.288   4.525 -21.873
  119    HG2  LYS  13           HG2      LYS  13  23.379   4.289 -23.886
  120    HG3  LYS  13           HG1      LYS  13  22.492   2.772 -23.964
  121    HD2  LYS  13           HD2      LYS  13  20.609   4.323 -25.055
  122    HD3  LYS  13           HD1      LYS  13  21.992   5.350 -25.428
  123    HE2  LYS  13           HE2      LYS  13  21.837   3.951 -27.316
  124    HE3  LYS  13           HE1      LYS  13  23.080   3.164 -26.341
  125    HZ1  LYS  13           HZ1      LYS  13  21.689   1.477 -25.756
  126    HZ2  LYS  13           HZ2      LYS  13  21.047   1.832 -27.287
  127    HZ3  LYS  13           HZ3      LYS  13  20.287   2.419 -25.888
  128    H    GLY  14           HN       GLY  14  21.671   2.172 -20.036
  129    HA2  GLY  14           HA2      GLY  14  20.834   3.972 -18.086
  130    HA3  GLY  14           HA1      GLY  14  19.572   2.750 -18.211
  131    H    GLU  15           HN       GLU  15  20.069   2.060 -16.044
  132    HA   GLU  15           HA       GLU  15  22.457   0.308 -15.882
  133    HB2  GLU  15           HB2      GLU  15  21.297   1.882 -13.576
  134    HB3  GLU  15           HB1      GLU  15  22.750   0.885 -13.566
  135    HG2  GLU  15           HG2      GLU  15  22.412   3.300 -15.355
  136    HG3  GLU  15           HG1      GLU  15  23.166   3.371 -13.765
  137    H    THR  16           HN       THR  16  22.195  -1.545 -14.545
  138    HA   THR  16           HA       THR  16  19.504  -2.180 -13.574
  139    HB   THR  16           HB       THR  16  20.371  -4.504 -15.018
  140    HG1  THR  16           HG1      THR  16  20.357  -2.139 -16.573
  141   HG21  THR  16          HG21      THR  16  18.303  -4.189 -16.253
  142   HG22  THR  16          HG22      THR  16  18.220  -2.499 -15.758
  143   HG23  THR  16          HG23      THR  16  18.022  -3.779 -14.560
  144    H    THR  17           HN       THR  17  19.490  -3.744 -11.951
  145    HA   THR  17           HA       THR  17  22.001  -5.103 -11.302
  146    HB   THR  17           HB       THR  17  20.627  -3.594  -9.089
  147    HG1  THR  17           HG1      THR  17  21.126  -1.971 -10.465
  148   HG21  THR  17          HG21      THR  17  22.677  -3.901  -7.955
  149   HG22  THR  17          HG22      THR  17  23.554  -4.231  -9.446
  150   HG23  THR  17          HG23      THR  17  22.435  -5.427  -8.798
  151    H    THR  18           HN       THR  18  21.760  -6.795  -9.738
  152    HA   THR  18           HA       THR  18  19.098  -7.574  -8.899
  153    HB   THR  18           HB       THR  18  19.355  -8.391 -11.297
  154    HG1  THR  18           HG1      THR  18  18.837  -9.962  -9.048
  155   HG21  THR  18          HG21      THR  18  21.835  -9.024 -10.819
  156   HG22  THR  18          HG22      THR  18  20.870 -10.111 -11.816
  157   HG23  THR  18          HG23      THR  18  21.158 -10.494 -10.118
  158    H    GLU  19           HN       GLU  19  19.127  -9.270  -7.359
  159    HA   GLU  19           HA       GLU  19  21.767  -9.678  -6.076
  160    HB2  GLU  19           HB2      GLU  19  19.044  -9.152  -5.103
  161    HB3  GLU  19           HB1      GLU  19  19.749 -10.550  -4.305
  162    HG2  GLU  19           HG2      GLU  19  21.304  -7.973  -4.569
  163    HG3  GLU  19           HG1      GLU  19  20.147  -8.204  -3.263
  164    H    ALA  20           HN       ALA  20  22.643 -11.508  -6.848
  165    HA   ALA  20           HA       ALA  20  21.017 -13.989  -6.769
  166    HB1  ALA  20           HB1      ALA  20  23.168 -13.469  -8.824
  167    HB2  ALA  20           HB2      ALA  20  21.471 -13.093  -9.123
  168    HB3  ALA  20           HB3      ALA  20  21.962 -14.756  -8.806
  169    H    VAL  21           HN       VAL  21  22.261 -15.930  -6.488
  170    HA   VAL  21           HA       VAL  21  24.450 -15.563  -4.620
  171    HB   VAL  21           HB       VAL  21  22.979 -17.275  -3.962
  172   HG11  VAL  21          HG11      VAL  21  23.010 -18.110  -6.869
  173   HG12  VAL  21          HG12      VAL  21  21.642 -17.521  -5.927
  174   HG13  VAL  21          HG13      VAL  21  22.321 -19.113  -5.595
  175   HG21  VAL  21          HG21      VAL  21  25.008 -18.892  -5.520
  176   HG22  VAL  21          HG22      VAL  21  24.289 -19.260  -3.951
  177   HG23  VAL  21          HG23      VAL  21  25.464 -17.952  -4.099
  178    H    ASP  22           HN       ASP  22  23.907 -16.885  -7.852
  179    HA   ASP  22           HA       ASP  22  26.843 -17.156  -8.223
  180    HB2  ASP  22           HB2      ASP  22  25.429 -19.222  -8.481
  181    HB3  ASP  22           HB1      ASP  22  24.655 -18.444  -9.860
  182    H    ALA  23           HN       ALA  23  27.717 -16.578 -10.270
  183    HA   ALA  23           HA       ALA  23  26.702 -14.080 -11.251
  184    HB1  ALA  23           HB1      ALA  23  29.084 -14.376 -11.125
  185    HB2  ALA  23           HB2      ALA  23  28.651 -14.258 -12.830
  186    HB3  ALA  23           HB3      ALA  23  29.009 -15.831 -12.118
  187    H    ALA  24           HN       ALA  24  26.973 -17.366 -12.564
  188    HA   ALA  24           HA       ALA  24  26.003 -16.748 -15.151
  189    HB1  ALA  24           HB1      ALA  24  25.940 -19.080 -15.530
  190    HB2  ALA  24           HB2      ALA  24  25.695 -19.436 -13.819
  191    HB3  ALA  24           HB3      ALA  24  27.260 -18.850 -14.383
  192    H    THR  25           HN       THR  25  24.281 -17.867 -12.188
  193    HA   THR  25           HA       THR  25  21.784 -18.298 -13.404
  194    HB   THR  25           HB       THR  25  22.624 -18.827 -10.968
  195    HG1  THR  25           HG1      THR  25  20.511 -19.182 -12.075
  196   HG21  THR  25          HG21      THR  25  22.754 -16.265 -10.498
  197   HG22  THR  25          HG22      THR  25  22.048 -17.309  -9.266
  198   HG23  THR  25          HG23      THR  25  21.001 -16.368 -10.330
  199    H    ALA  26           HN       ALA  26  23.301 -15.351 -12.220
  200    HA   ALA  26           HA       ALA  26  20.998 -13.691 -12.381
  201    HB1  ALA  26           HB1      ALA  26  22.793 -12.885 -11.056
  202    HB2  ALA  26           HB2      ALA  26  22.758 -11.835 -12.472
  203    HB3  ALA  26           HB3      ALA  26  23.961 -13.119 -12.358
  204    H    GLU  27           HN       GLU  27  23.486 -14.635 -14.670
  205    HA   GLU  27           HA       GLU  27  23.026 -12.746 -16.667
  206    HB2  GLU  27           HB2      GLU  27  24.603 -13.939 -17.796
  207    HB3  GLU  27           HB1      GLU  27  24.680 -14.951 -16.360
  208    HG2  GLU  27           HG2      GLU  27  22.852 -16.381 -17.373
  209    HG3  GLU  27           HG1      GLU  27  23.021 -15.438 -18.853
  210    H    LYS  28           HN       LYS  28  21.199 -15.578 -15.774
  211    HA   LYS  28           HA       LYS  28  19.743 -16.012 -18.120
  212    HB2  LYS  28           HB2      LYS  28  18.840 -16.315 -15.244
  213    HB3  LYS  28           HB1      LYS  28  18.012 -16.999 -16.643
  214    HG2  LYS  28           HG2      LYS  28  20.273 -18.112 -17.210
  215    HG3  LYS  28           HG1      LYS  28  20.746 -17.698 -15.562
  216    HD2  LYS  28           HD2      LYS  28  18.396 -19.426 -16.399
  217    HD3  LYS  28           HD1      LYS  28  19.847 -19.954 -15.548
  218    HE2  LYS  28           HE2      LYS  28  19.193 -18.264 -13.717
  219    HE3  LYS  28           HE1      LYS  28  17.623 -18.180 -14.512
  220    HZ1  LYS  28           HZ1      LYS  28  17.029 -20.171 -13.680
  221    HZ2  LYS  28           HZ2      LYS  28  18.350 -20.025 -12.625
  222    HZ3  LYS  28           HZ3      LYS  28  18.512 -20.893 -14.075
  223    H    VAL  29           HN       VAL  29  19.108 -13.800 -15.420
  224    HA   VAL  29           HA       VAL  29  16.661 -12.792 -16.491
  225    HB   VAL  29           HB       VAL  29  18.538 -11.413 -14.561
  226   HG11  VAL  29          HG11      VAL  29  16.703 -10.035 -15.487
  227   HG12  VAL  29          HG12      VAL  29  16.453 -10.361 -13.772
  228   HG13  VAL  29          HG13      VAL  29  15.537 -11.256 -14.982
  229   HG21  VAL  29          HG21      VAL  29  18.067 -13.694 -13.781
  230   HG22  VAL  29          HG22      VAL  29  16.342 -13.446 -14.048
  231   HG23  VAL  29          HG23      VAL  29  17.181 -12.528 -12.798
  232    H    PHE  30           HN       PHE  30  20.011 -11.628 -16.487
  233    HA   PHE  30           HA       PHE  30  19.609  -9.212 -17.880
  234    HB2  PHE  30           HB2      PHE  30  22.015 -11.030 -17.810
  235    HB3  PHE  30           HB1      PHE  30  22.018  -9.397 -18.431
  236    HD1  PHE  30           HD2      PHE  30  19.779  -9.355 -15.641
  237    HD2  PHE  30           HD1      PHE  30  23.972  -9.567 -16.625
  238    HE1  PHE  30           HE2      PHE  30  20.355  -8.480 -13.417
  239    HE2  PHE  30           HE1      PHE  30  24.528  -8.690 -14.380
  240    HZ   PHE  30           HZ       PHE  30  22.724  -8.143 -12.780
  241    H    LYS  31           HN       LYS  31  20.392 -12.483 -19.093
  242    HA   LYS  31           HA       LYS  31  20.697 -11.702 -21.783
  243    HB2  LYS  31           HB2      LYS  31  21.209 -13.987 -20.519
  244    HB3  LYS  31           HB1      LYS  31  19.613 -14.422 -21.118
  245    HG2  LYS  31           HG2      LYS  31  20.819 -15.080 -22.975
  246    HG3  LYS  31           HG1      LYS  31  20.647 -13.382 -23.405
  247    HD2  LYS  31           HD2      LYS  31  22.949 -13.671 -23.656
  248    HD3  LYS  31           HD1      LYS  31  22.871 -13.102 -21.989
  249    HE2  LYS  31           HE2      LYS  31  22.911 -15.442 -21.191
  250    HE3  LYS  31           HE1      LYS  31  22.994 -16.007 -22.858
  251    HZ1  LYS  31           HZ1      LYS  31  24.973 -14.029 -22.271
  252    HZ2  LYS  31           HZ2      LYS  31  25.155 -15.572 -22.957
  253    HZ3  LYS  31           HZ3      LYS  31  25.117 -15.390 -21.268
  254    H    GLN  32           HN       GLN  32  17.875 -13.060 -20.073
  255    HA   GLN  32           HA       GLN  32  16.141 -12.826 -22.339
  256    HB2  GLN  32           HB2      GLN  32  15.558 -13.235 -19.401
  257    HB3  GLN  32           HB1      GLN  32  14.356 -13.348 -20.688
  258    HG2  GLN  32           HG2      GLN  32  16.894 -14.999 -20.634
  259    HG3  GLN  32           HG1      GLN  32  15.356 -15.564 -19.987
  260   HE21  GLN  32          HE21      GLN  32  17.219 -15.856 -22.697
  261   HE22  GLN  32          HE22      GLN  32  16.005 -16.057 -23.867
  262    H    TYR  33           HN       TYR  33  16.873 -10.799 -19.552
  263    HA   TYR  33           HA       TYR  33  14.710  -9.015 -19.750
  264    HB2  TYR  33           HB2      TYR  33  16.052  -8.990 -17.771
  265    HB3  TYR  33           HB1      TYR  33  17.518  -8.669 -18.698
  266    HD1  TYR  33           HD1      TYR  33  14.199  -7.242 -17.774
  267    HD2  TYR  33           HD2      TYR  33  18.161  -6.452 -19.238
  268    HE1  TYR  33           HE1      TYR  33  13.790  -4.805 -17.570
  269    HE2  TYR  33           HE2      TYR  33  17.751  -4.016 -19.032
  270    HH   TYR  33           HH       TYR  33  14.630  -2.774 -17.827
  271    H    ALA  34           HN       ALA  34  17.932  -8.954 -21.233
  272    HA   ALA  34           HA       ALA  34  17.753  -6.433 -22.437
  273    HB1  ALA  34           HB1      ALA  34  19.668  -8.342 -22.264
  274    HB2  ALA  34           HB2      ALA  34  19.774  -6.978 -23.368
  275    HB3  ALA  34           HB3      ALA  34  19.205  -8.544 -23.950
  276    H    ASN  35           HN       ASN  35  16.601  -9.611 -23.541
  277    HA   ASN  35           HA       ASN  35  15.897  -8.822 -26.167
  278    HB2  ASN  35           HB2      ASN  35  16.061 -11.196 -25.194
  279    HB3  ASN  35           HB1      ASN  35  14.446 -10.917 -24.548
  280   HD21  ASN  35          HD21      ASN  35  12.684 -10.471 -26.172
  281   HD22  ASN  35          HD22      ASN  35  12.865 -11.028 -27.765
  282    H    ASP  36           HN       ASP  36  14.046  -8.993 -23.131
  283    HA   ASP  36           HA       ASP  36  11.609  -8.014 -24.210
  284    HB2  ASP  36           HB2      ASP  36  12.444  -7.662 -21.337
  285    HB3  ASP  36           HB1      ASP  36  10.835  -7.968 -21.992
  286    H    ASN  37           HN       ASN  37  14.529  -6.472 -23.099
  287    HA   ASN  37           HA       ASN  37  13.298  -3.854 -22.828
  288    HB2  ASN  37           HB2      ASN  37  15.850  -5.133 -22.185
  289    HB3  ASN  37           HB1      ASN  37  16.082  -3.533 -22.855
  290   HD21  ASN  37          HD21      ASN  37  16.304  -2.084 -21.150
  291   HD22  ASN  37          HD22      ASN  37  15.363  -2.094 -19.738
  292    H    GLY  38           HN       GLY  38  14.966  -5.684 -25.297
  293    HA2  GLY  38           HA2      GLY  38  14.538  -5.057 -27.610
  294    HA3  GLY  38           HA1      GLY  38  14.696  -3.371 -27.141
  295    H    VAL  39           HN       VAL  39  17.093  -3.659 -25.548
  296    HA   VAL  39           HA       VAL  39  19.007  -3.668 -27.722
  297    HB   VAL  39           HB       VAL  39  19.337  -1.930 -26.175
  298   HG11  VAL  39          HG11      VAL  39  17.993  -2.689 -24.335
  299   HG12  VAL  39          HG12      VAL  39  19.613  -2.387 -23.714
  300   HG13  VAL  39          HG13      VAL  39  19.080  -4.036 -24.019
  301   HG21  VAL  39          HG21      VAL  39  21.297  -4.039 -25.246
  302   HG22  VAL  39          HG22      VAL  39  21.544  -2.299 -25.280
  303   HG23  VAL  39          HG23      VAL  39  21.431  -3.202 -26.790
  304    H    ASP  40           HN       ASP  40  19.718  -5.547 -28.479
  305    HA   ASP  40           HA       ASP  40  20.696  -7.593 -26.557
  306    HB2  ASP  40           HB2      ASP  40  18.506  -8.128 -27.860
  307    HB3  ASP  40           HB1      ASP  40  19.558  -8.304 -29.260
  308    H    GLY  41           HN       GLY  41  22.916  -7.562 -26.727
  309    HA2  GLY  41           HA2      GLY  41  24.068  -7.669 -29.451
  310    HA3  GLY  41           HA1      GLY  41  24.635  -6.434 -28.341
  311    H    GLU  42           HN       GLU  42  26.770  -7.304 -28.472
  312    HA   GLU  42           HA       GLU  42  27.320 -10.009 -27.706
  313    HB2  GLU  42           HB2      GLU  42  29.340  -7.776 -27.649
  314    HB3  GLU  42           HB1      GLU  42  29.580  -9.478 -28.044
  315    HG2  GLU  42           HG2      GLU  42  28.088  -7.430 -29.706
  316    HG3  GLU  42           HG1      GLU  42  29.635  -8.178 -30.100
  317    H    TRP  43           HN       TRP  43  27.919 -10.796 -25.748
  318    HA   TRP  43           HA       TRP  43  27.503  -9.013 -23.436
  319    HB2  TRP  43           HB2      TRP  43  27.397 -12.010 -23.759
  320    HB3  TRP  43           HB1      TRP  43  27.271 -11.191 -22.202
  321    HD1  TRP  43           HD1      TRP  43  25.397 -11.680 -25.500
  322    HE1  TRP  43           HE1      TRP  43  22.965 -10.882 -25.190
  323    HE3  TRP  43           HE3      TRP  43  25.739  -9.623 -20.848
  324    HZ2  TRP  43           HZ2      TRP  43  21.380  -9.564 -23.228
  325    HZ3  TRP  43           HZ3      TRP  43  23.755  -8.606 -19.780
  326    HH2  TRP  43           HH2      TRP  43  21.574  -8.575 -20.964
  327    H    THR  44           HN       THR  44  28.722  -9.375 -21.531
  328    HA   THR  44           HA       THR  44  31.323 -10.632 -21.666
  329    HB   THR  44           HB       THR  44  31.919  -8.537 -22.718
  330    HG1  THR  44           HG1      THR  44  32.650  -7.840 -20.166
  331   HG21  THR  44          HG21      THR  44  30.202  -7.015 -22.296
  332   HG22  THR  44          HG22      THR  44  31.476  -6.410 -21.241
  333   HG23  THR  44          HG23      THR  44  30.162  -7.371 -20.568
  334    H    TYR  45           HN       TYR  45  32.455 -10.305 -19.446
  335    HA   TYR  45           HA       TYR  45  30.924  -9.306 -17.272
  336    HB2  TYR  45           HB2      TYR  45  29.434 -11.121 -17.580
  337    HB3  TYR  45           HB1      TYR  45  30.749 -12.258 -17.851
  338    HD1  TYR  45           HD1      TYR  45  29.921  -9.709 -15.200
  339    HD2  TYR  45           HD2      TYR  45  31.014 -13.768 -16.089
  340    HE1  TYR  45           HE1      TYR  45  29.949 -10.239 -12.781
  341    HE2  TYR  45           HE2      TYR  45  31.042 -14.293 -13.669
  342    HH   TYR  45           HH       TYR  45  30.718 -11.789 -11.243
  343    H    ASP  46           HN       ASP  46  32.163  -9.015 -15.558
  344    HA   ASP  46           HA       ASP  46  34.687 -10.549 -15.316
  345    HB2  ASP  46           HB2      ASP  46  35.313  -8.335 -16.017
  346    HB3  ASP  46           HB1      ASP  46  34.195  -7.592 -14.874
  347    H    ASP  47           HN       ASP  47  34.427 -11.857 -13.584
  348    HA   ASP  47           HA       ASP  47  32.509 -11.388 -11.534
  349    HB2  ASP  47           HB2      ASP  47  33.296 -13.646 -12.189
  350    HB3  ASP  47           HB1      ASP  47  34.881 -13.267 -11.516
  351    H    ALA  48           HN       ALA  48  35.672 -10.221 -12.036
  352    HA   ALA  48           HA       ALA  48  36.343  -9.842  -9.252
  353    HB1  ALA  48           HB1      ALA  48  37.603  -8.430 -11.598
  354    HB2  ALA  48           HB2      ALA  48  37.987 -10.104 -11.192
  355    HB3  ALA  48           HB3      ALA  48  38.325  -8.814 -10.036
  356    H    THR  49           HN       THR  49  34.331  -8.211 -11.483
  357    HA   THR  49           HA       THR  49  34.272  -5.816  -9.727
  358    HB   THR  49           HB       THR  49  33.548  -4.613 -11.940
  359    HG1  THR  49           HG1      THR  49  33.902  -5.666 -13.718
  360   HG21  THR  49          HG21      THR  49  36.419  -5.492 -11.514
  361   HG22  THR  49          HG22      THR  49  35.631  -4.131 -10.713
  362   HG23  THR  49          HG23      THR  49  35.897  -4.093 -12.456
  363    H    LYS  50           HN       LYS  50  32.606  -8.488 -10.621
  364    HA   LYS  50           HA       LYS  50  30.359  -9.027 -10.839
  365    HB2  LYS  50           HB2      LYS  50  29.962  -6.840  -8.798
  366    HB3  LYS  50           HB1      LYS  50  29.072  -8.349  -8.965
  367    HG2  LYS  50           HG2      LYS  50  32.022  -8.218  -8.262
  368    HG3  LYS  50           HG1      LYS  50  30.735  -8.330  -7.067
  369    HD2  LYS  50           HD2      LYS  50  29.933 -10.411  -8.245
  370    HD3  LYS  50           HD1      LYS  50  31.398 -10.347  -9.226
  371    HE2  LYS  50           HE2      LYS  50  32.797 -10.567  -7.269
  372    HE3  LYS  50           HE1      LYS  50  31.404 -10.406  -6.198
  373    HZ1  LYS  50           HZ1      LYS  50  31.106 -12.580  -6.333
  374    HZ2  LYS  50           HZ2      LYS  50  32.424 -12.729  -7.395
  375    HZ3  LYS  50           HZ3      LYS  50  30.861 -12.458  -8.007
  376    H    THR  51           HN       THR  51  30.795  -7.605 -13.020
  377    HA   THR  51           HA       THR  51  28.409  -5.896 -13.245
  378    HB   THR  51           HB       THR  51  31.182  -4.973 -14.045
  379    HG1  THR  51           HG1      THR  51  30.955  -3.555 -12.402
  380   HG21  THR  51          HG21      THR  51  29.894  -2.837 -14.572
  381   HG22  THR  51          HG22      THR  51  28.423  -3.804 -14.464
  382   HG23  THR  51          HG23      THR  51  29.636  -4.178 -15.689
  383    H    PHE  52           HN       PHE  52  27.305  -6.322 -15.064
  384    HA   PHE  52           HA       PHE  52  28.654  -7.780 -17.263
  385    HB2  PHE  52           HB2      PHE  52  25.773  -7.622 -16.367
  386    HB3  PHE  52           HB1      PHE  52  26.264  -8.341 -17.901
  387    HD1  PHE  52           HD1      PHE  52  27.048  -8.480 -14.236
  388    HD2  PHE  52           HD2      PHE  52  26.820 -10.616 -17.956
  389    HE1  PHE  52           HE1      PHE  52  27.563 -10.599 -13.056
  390    HE2  PHE  52           HE2      PHE  52  27.339 -12.732 -16.774
  391    HZ   PHE  52           HZ       PHE  52  27.708 -12.723 -14.323
  392    H    THR  53           HN       THR  53  28.086  -7.134 -19.456
  393    HA   THR  53           HA       THR  53  26.645  -4.624 -19.817
  394    HB   THR  53           HB       THR  53  28.380  -3.369 -20.812
  395    HG1  THR  53           HG1      THR  53  30.445  -5.096 -20.533
  396   HG21  THR  53          HG21      THR  53  28.547  -3.437 -18.330
  397   HG22  THR  53          HG22      THR  53  30.107  -3.178 -19.100
  398   HG23  THR  53          HG23      THR  53  29.695  -4.769 -18.466
  399    H    VAL  54           HN       VAL  54  25.486  -4.738 -21.682
  400    HA   VAL  54           HA       VAL  54  26.329  -6.747 -23.711
  401    HB   VAL  54           HB       VAL  54  24.149  -7.196 -22.544
  402   HG11  VAL  54          HG11      VAL  54  22.284  -5.758 -22.845
  403   HG12  VAL  54          HG12      VAL  54  23.114  -4.819 -24.081
  404   HG13  VAL  54          HG13      VAL  54  23.616  -4.691 -22.398
  405   HG21  VAL  54          HG21      VAL  54  23.992  -6.558 -25.514
  406   HG22  VAL  54          HG22      VAL  54  22.888  -7.620 -24.641
  407   HG23  VAL  54          HG23      VAL  54  24.586  -8.066 -24.815
  408    H    THR  55           HN       THR  55  27.008  -5.928 -25.595
  409    HA   THR  55           HA       THR  55  26.124  -3.204 -26.387
  410    HB   THR  55           HB       THR  55  28.547  -3.482 -25.521
  411    HG1  THR  55           HG1      THR  55  28.732  -1.703 -26.578
  412   HG21  THR  55          HG21      THR  55  29.033  -4.483 -28.330
  413   HG22  THR  55          HG22      THR  55  28.874  -5.590 -26.968
  414   HG23  THR  55          HG23      THR  55  30.173  -4.397 -26.987
  415    H    GLU  56           HN       GLU  56  25.089  -3.113 -28.278
  416    HA   GLU  56           HA       GLU  56  25.448  -5.319 -30.227
  417    HB2  GLU  56           HB2      GLU  56  23.239  -4.218 -31.150
  418    HB3  GLU  56           HB1      GLU  56  23.166  -5.271 -29.741
  419    HG2  GLU  56           HG2      GLU  56  23.243  -3.326 -28.251
  420    HG3  GLU  56           HG1      GLU  56  23.365  -2.250 -29.644
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  25.368 -11.401  -2.827
    2    H2   MET   1           HT2      MET   1  26.913 -11.762  -2.222
    3    H3   MET   1           HT3      MET   1  26.403 -12.422  -3.701
    4    HA   MET   1           HA       MET   1  27.099  -9.619  -3.083
    5    HB2  MET   1           HB2      MET   1  28.996 -10.035  -4.305
    6    HB3  MET   1           HB1      MET   1  28.613 -11.727  -4.025
    7    HG2  MET   1           HG2      MET   1  27.866 -10.092  -6.472
    8    HG3  MET   1           HG1      MET   1  29.049 -11.388  -6.396
    9    HE1  MET   1           HE1      MET   1  27.224 -14.596  -6.317
   10    HE2  MET   1           HE2      MET   1  27.895 -13.822  -4.885
   11    HE3  MET   1           HE3      MET   1  28.727 -13.678  -6.430
   12    H    GLN   2           HN       GLN   2  27.001  -8.306  -5.255
   13    HA   GLN   2           HA       GLN   2  24.426  -8.872  -6.625
   14    HB2  GLN   2           HB2      GLN   2  25.481  -6.263  -5.523
   15    HB3  GLN   2           HB1      GLN   2  24.184  -6.344  -6.714
   16    HG2  GLN   2           HG2      GLN   2  22.805  -7.657  -5.216
   17    HG3  GLN   2           HG1      GLN   2  24.125  -7.795  -4.056
   18   HE21  GLN   2          HE21      GLN   2  21.388  -5.884  -4.901
   19   HE22  GLN   2          HE22      GLN   2  21.733  -4.549  -3.911
   20    H    TYR   3           HN       TYR   3  24.305  -8.358  -8.784
   21    HA   TYR   3           HA       TYR   3  26.863  -7.656 -10.126
   22    HB2  TYR   3           HB2      TYR   3  24.542  -9.258 -11.228
   23    HB3  TYR   3           HB1      TYR   3  26.083  -8.945 -12.025
   24    HD1  TYR   3           HD1      TYR   3  28.229  -9.760 -10.851
   25    HD2  TYR   3           HD2      TYR   3  24.292 -11.127  -9.814
   26    HE1  TYR   3           HE1      TYR   3  29.206 -11.780  -9.795
   27    HE2  TYR   3           HE2      TYR   3  25.273 -13.140  -8.748
   28    HH   TYR   3           HH       TYR   3  27.131 -14.318  -8.415
   29    H    LYS   4           HN       LYS   4  26.812  -6.088 -11.688
   30    HA   LYS   4           HA       LYS   4  24.231  -4.654 -12.065
   31    HB2  LYS   4           HB2      LYS   4  25.931  -3.420 -10.696
   32    HB3  LYS   4           HB1      LYS   4  27.016  -3.462 -12.085
   33    HG2  LYS   4           HG2      LYS   4  25.298  -2.278 -13.436
   34    HG3  LYS   4           HG1      LYS   4  24.261  -2.185 -12.018
   35    HD2  LYS   4           HD2      LYS   4  26.955  -1.169 -11.406
   36    HD3  LYS   4           HD1      LYS   4  26.261  -0.313 -12.775
   37    HE2  LYS   4           HE2      LYS   4  24.669  -0.740 -10.246
   38    HE3  LYS   4           HE1      LYS   4  25.782   0.617 -10.417
   39    HZ1  LYS   4           HZ1      LYS   4  23.619   1.308 -11.113
   40    HZ2  LYS   4           HZ2      LYS   4  23.470  -0.018 -12.166
   41    HZ3  LYS   4           HZ3      LYS   4  24.605   1.204 -12.490
   42    H    LEU   5           HN       LEU   5  23.531  -4.542 -14.076
   43    HA   LEU   5           HA       LEU   5  25.368  -5.187 -16.295
   44    HB2  LEU   5           HB2      LEU   5  23.622  -6.790 -16.189
   45    HB3  LEU   5           HB1      LEU   5  22.405  -5.570 -15.893
   46    HG   LEU   5           HG       LEU   5  22.429  -6.582 -18.221
   47   HD11  LEU   5          HD11      LEU   5  22.870  -3.730 -18.793
   48   HD12  LEU   5          HD12      LEU   5  21.772  -4.023 -17.458
   49   HD13  LEU   5          HD13      LEU   5  21.446  -4.726 -19.034
   50   HD21  LEU   5          HD21      LEU   5  24.142  -6.215 -19.731
   51   HD22  LEU   5          HD22      LEU   5  25.062  -6.384 -18.245
   52   HD23  LEU   5          HD23      LEU   5  24.733  -4.788 -18.898
   53    H    ILE   6           HN       ILE   6  25.856  -3.611 -17.708
   54    HA   ILE   6           HA       ILE   6  24.441  -1.027 -17.488
   55    HB   ILE   6           HB       ILE   6  26.971  -1.651 -19.017
   56   HG12  ILE   6          HG12      ILE   6  27.404  -2.181 -16.691
   57   HG13  ILE   6          HG11      ILE   6  28.131  -0.614 -17.037
   58   HG21  ILE   6          HG21      ILE   6  27.290   0.816 -18.764
   59   HG22  ILE   6          HG22      ILE   6  25.681   0.908 -18.046
   60   HG23  ILE   6          HG23      ILE   6  25.872   0.386 -19.721
   61   HD11  ILE   6          HD11      ILE   6  25.618  -1.215 -15.485
   62   HD12  ILE   6          HD12      ILE   6  25.890   0.380 -16.181
   63   HD13  ILE   6          HD13      ILE   6  27.015  -0.264 -14.990
   64    H    LEU   7           HN       LEU   7  23.190  -0.271 -19.049
   65    HA   LEU   7           HA       LEU   7  22.745  -1.949 -21.408
   66    HB2  LEU   7           HB2      LEU   7  21.241   0.292 -20.077
   67    HB3  LEU   7           HB1      LEU   7  20.882  -0.129 -21.746
   68    HG   LEU   7           HG       LEU   7  20.673  -2.581 -20.817
   69   HD11  LEU   7          HD11      LEU   7  20.106  -2.793 -18.521
   70   HD12  LEU   7          HD12      LEU   7  19.998  -1.048 -18.298
   71   HD13  LEU   7          HD13      LEU   7  21.568  -1.812 -18.531
   72   HD21  LEU   7          HD21      LEU   7  18.693  -0.341 -20.358
   73   HD22  LEU   7          HD22      LEU   7  18.278  -2.037 -20.115
   74   HD23  LEU   7          HD23      LEU   7  18.759  -1.468 -21.712
   75    H    ASN   8           HN       ASN   8  23.923  -1.587 -23.112
   76    HA   ASN   8           HA       ASN   8  24.399   1.191 -24.011
   77    HB2  ASN   8           HB2      ASN   8  26.509   0.408 -23.104
   78    HB3  ASN   8           HB1      ASN   8  26.368  -1.112 -23.983
   79   HD21  ASN   8          HD21      ASN   8  28.136  -0.899 -25.434
   80   HD22  ASN   8          HD22      ASN   8  28.271   0.363 -26.561
   81    H    GLY   9           HN       GLY   9  22.586   0.910 -25.383
   82    HA2  GLY   9           HA2      GLY   9  23.021  -0.986 -27.625
   83    HA3  GLY   9           HA1      GLY   9  21.431  -0.654 -26.957
   84    H    LYS  10           HN       LYS  10  20.944  -0.140 -29.213
   85    HA   LYS  10           HA       LYS  10  22.119   2.201 -30.394
   86    HB2  LYS  10           HB2      LYS  10  19.493   0.999 -31.248
   87    HB3  LYS  10           HB1      LYS  10  20.712   1.805 -32.233
   88    HG2  LYS  10           HG2      LYS  10  22.280  -0.075 -31.796
   89    HG3  LYS  10           HG1      LYS  10  21.015  -0.892 -30.877
   90    HD2  LYS  10           HD2      LYS  10  19.565  -0.680 -32.987
   91    HD3  LYS  10           HD1      LYS  10  21.056  -0.262 -33.831
   92    HE2  LYS  10           HE2      LYS  10  22.075  -2.380 -33.152
   93    HE3  LYS  10           HE1      LYS  10  20.640  -2.793 -32.212
   94    HZ1  LYS  10           HZ1      LYS  10  21.047  -3.492 -34.776
   95    HZ2  LYS  10           HZ2      LYS  10  20.106  -2.090 -34.959
   96    HZ3  LYS  10           HZ3      LYS  10  19.524  -3.393 -34.037
   97    H    THR  11           HN       THR  11  18.921   1.517 -28.889
   98    HA   THR  11           HA       THR  11  18.637   4.435 -28.417
   99    HB   THR  11           HB       THR  11  16.194   4.146 -28.820
  100    HG1  THR  11           HG1      THR  11  15.474   2.265 -29.670
  101   HG21  THR  11          HG21      THR  11  18.163   3.529 -31.026
  102   HG22  THR  11          HG22      THR  11  17.483   5.097 -30.591
  103   HG23  THR  11          HG23      THR  11  16.461   3.866 -31.336
  104    H    LEU  12           HN       LEU  12  19.376   1.935 -26.705
  105    HA   LEU  12           HA       LEU  12  17.554   2.654 -24.504
  106    HB2  LEU  12           HB2      LEU  12  17.180   0.336 -25.884
  107    HB3  LEU  12           HB1      LEU  12  18.308  -0.226 -24.657
  108    HG   LEU  12           HG       LEU  12  15.640   1.142 -24.203
  109   HD11  LEU  12          HD11      LEU  12  16.434  -1.501 -23.030
  110   HD12  LEU  12          HD12      LEU  12  15.970  -1.451 -24.730
  111   HD13  LEU  12          HD13      LEU  12  14.841  -0.911 -23.490
  112   HD21  LEU  12          HD21      LEU  12  16.336   0.517 -21.719
  113   HD22  LEU  12          HD22      LEU  12  16.885   2.025 -22.431
  114   HD23  LEU  12          HD23      LEU  12  17.970   0.639 -22.362
  115    H    LYS  13           HN       LYS  13  18.878   3.585 -23.087
  116    HA   LYS  13           HA       LYS  13  21.293   2.117 -22.213
  117    HB2  LYS  13           HB2      LYS  13  21.022   4.994 -23.044
  118    HB3  LYS  13           HB1      LYS  13  22.183   4.578 -21.794
  119    HG2  LYS  13           HG2      LYS  13  23.674   3.964 -23.402
  120    HG3  LYS  13           HG1      LYS  13  22.596   2.677 -23.908
  121    HD2  LYS  13           HD2      LYS  13  22.282   5.523 -24.896
  122    HD3  LYS  13           HD1      LYS  13  23.303   4.339 -25.709
  123    HE2  LYS  13           HE2      LYS  13  20.329   4.083 -25.192
  124    HE3  LYS  13           HE1      LYS  13  21.104   4.339 -26.753
  125    HZ1  LYS  13           HZ1      LYS  13  22.287   2.215 -26.409
  126    HZ2  LYS  13           HZ2      LYS  13  20.603   2.033 -26.520
  127    HZ3  LYS  13           HZ3      LYS  13  21.372   1.957 -25.009
  128    H    GLY  14           HN       GLY  14  21.639   2.050 -20.055
  129    HA2  GLY  14           HA2      GLY  14  20.685   3.785 -18.092
  130    HA3  GLY  14           HA1      GLY  14  19.469   2.528 -18.292
  131    H    GLU  15           HN       GLU  15  19.916   1.792 -16.117
  132    HA   GLU  15           HA       GLU  15  22.322   0.068 -15.936
  133    HB2  GLU  15           HB2      GLU  15  21.194   1.644 -13.617
  134    HB3  GLU  15           HB1      GLU  15  22.657   0.662 -13.638
  135    HG2  GLU  15           HG2      GLU  15  22.298   3.054 -15.447
  136    HG3  GLU  15           HG1      GLU  15  22.981   3.186 -13.832
  137    H    THR  16           HN       THR  16  22.045  -1.835 -14.720
  138    HA   THR  16           HA       THR  16  19.417  -2.373 -13.537
  139    HB   THR  16           HB       THR  16  20.484  -4.327 -15.561
  140    HG1  THR  16           HG1      THR  16  18.474  -2.477 -16.166
  141   HG21  THR  16          HG21      THR  16  18.300  -5.225 -15.517
  142   HG22  THR  16          HG22      THR  16  17.632  -3.775 -14.769
  143   HG23  THR  16          HG23      THR  16  18.655  -4.859 -13.828
  144    H    THR  17           HN       THR  17  19.652  -3.534 -11.703
  145    HA   THR  17           HA       THR  17  22.061  -5.233 -11.388
  146    HB   THR  17           HB       THR  17  20.952  -3.620  -9.095
  147    HG1  THR  17           HG1      THR  17  21.759  -2.450 -11.147
  148   HG21  THR  17          HG21      THR  17  22.648  -5.595  -8.918
  149   HG22  THR  17          HG22      THR  17  23.008  -4.101  -8.063
  150   HG23  THR  17          HG23      THR  17  23.803  -4.450  -9.595
  151    H    THR  18           HN       THR  18  21.837  -6.928  -9.812
  152    HA   THR  18           HA       THR  18  19.182  -7.530  -8.788
  153    HB   THR  18           HB       THR  18  19.285  -8.394 -11.185
  154    HG1  THR  18           HG1      THR  18  19.025 -10.656  -9.677
  155   HG21  THR  18          HG21      THR  18  20.688 -10.184 -11.748
  156   HG22  THR  18          HG22      THR  18  20.999 -10.598 -10.064
  157   HG23  THR  18          HG23      THR  18  21.755  -9.173 -10.773
  158    H    GLU  19           HN       GLU  19  19.198  -9.193  -7.222
  159    HA   GLU  19           HA       GLU  19  21.868  -9.700  -6.047
  160    HB2  GLU  19           HB2      GLU  19  20.415  -8.546  -4.525
  161    HB3  GLU  19           HB1      GLU  19  19.074  -9.632  -4.882
  162    HG2  GLU  19           HG2      GLU  19  20.260 -10.084  -2.689
  163    HG3  GLU  19           HG1      GLU  19  20.157 -11.469  -3.772
  164    H    ALA  20           HN       ALA  20  22.625 -11.591  -6.825
  165    HA   ALA  20           HA       ALA  20  20.879 -13.984  -6.628
  166    HB1  ALA  20           HB1      ALA  20  21.303 -13.131  -9.010
  167    HB2  ALA  20           HB2      ALA  20  21.688 -14.822  -8.688
  168    HB3  ALA  20           HB3      ALA  20  22.979 -13.623  -8.766
  169    H    VAL  21           HN       VAL  21  22.079 -16.006  -6.470
  170    HA   VAL  21           HA       VAL  21  24.280 -15.774  -4.594
  171    HB   VAL  21           HB       VAL  21  22.733 -17.444  -3.997
  172   HG11  VAL  21          HG11      VAL  21  22.765 -18.172  -6.931
  173   HG12  VAL  21          HG12      VAL  21  21.404 -17.597  -5.969
  174   HG13  VAL  21          HG13      VAL  21  22.048 -19.217  -5.707
  175   HG21  VAL  21          HG21      VAL  21  23.977 -19.468  -4.020
  176   HG22  VAL  21          HG22      VAL  21  25.199 -18.202  -4.137
  177   HG23  VAL  21          HG23      VAL  21  24.715 -19.095  -5.578
  178    H    ASP  22           HN       ASP  22  23.697 -16.871  -7.889
  179    HA   ASP  22           HA       ASP  22  26.620 -17.279  -8.259
  180    HB2  ASP  22           HB2      ASP  22  25.313 -19.328  -8.583
  181    HB3  ASP  22           HB1      ASP  22  24.311 -18.507  -9.777
  182    H    ALA  23           HN       ALA  23  27.521 -16.641 -10.268
  183    HA   ALA  23           HA       ALA  23  26.541 -14.105 -11.188
  184    HB1  ALA  23           HB1      ALA  23  28.767 -15.788 -12.355
  185    HB2  ALA  23           HB2      ALA  23  28.968 -14.698 -10.984
  186    HB3  ALA  23           HB3      ALA  23  28.521 -14.054 -12.564
  187    H    ALA  24           HN       ALA  24  26.780 -17.359 -12.582
  188    HA   ALA  24           HA       ALA  24  25.847 -16.670 -15.164
  189    HB1  ALA  24           HB1      ALA  24  25.910 -19.287 -13.659
  190    HB2  ALA  24           HB2      ALA  24  27.009 -18.735 -14.923
  191    HB3  ALA  24           HB3      ALA  24  25.344 -19.155 -15.325
  192    H    THR  25           HN       THR  25  24.078 -17.739 -12.222
  193    HA   THR  25           HA       THR  25  21.582 -18.101 -13.497
  194    HB   THR  25           HB       THR  25  22.379 -18.763 -11.079
  195    HG1  THR  25           HG1      THR  25  19.781 -17.945 -10.929
  196   HG21  THR  25          HG21      THR  25  20.796 -16.316 -10.325
  197   HG22  THR  25          HG22      THR  25  22.544 -16.212 -10.505
  198   HG23  THR  25          HG23      THR  25  21.849 -17.311  -9.318
  199    H    ALA  26           HN       ALA  26  23.172 -15.244 -12.200
  200    HA   ALA  26           HA       ALA  26  20.907 -13.524 -12.289
  201    HB1  ALA  26           HB1      ALA  26  22.410 -11.774 -11.823
  202    HB2  ALA  26           HB2      ALA  26  23.755 -12.596 -12.614
  203    HB3  ALA  26           HB3      ALA  26  23.152 -13.180 -11.063
  204    H    GLU  27           HN       GLU  27  23.384 -14.418 -14.620
  205    HA   GLU  27           HA       GLU  27  22.912 -12.451 -16.559
  206    HB2  GLU  27           HB2      GLU  27  24.488 -13.596 -17.746
  207    HB3  GLU  27           HB1      GLU  27  24.613 -14.620 -16.322
  208    HG2  GLU  27           HG2      GLU  27  22.794 -16.078 -17.325
  209    HG3  GLU  27           HG1      GLU  27  22.941 -15.124 -18.802
  210    H    LYS  28           HN       LYS  28  21.115 -15.328 -15.745
  211    HA   LYS  28           HA       LYS  28  19.669 -15.699 -18.109
  212    HB2  LYS  28           HB2      LYS  28  18.757 -16.097 -15.247
  213    HB3  LYS  28           HB1      LYS  28  17.941 -16.742 -16.672
  214    HG2  LYS  28           HG2      LYS  28  20.220 -17.818 -17.257
  215    HG3  LYS  28           HG1      LYS  28  20.667 -17.462 -15.589
  216    HD2  LYS  28           HD2      LYS  28  18.341 -19.173 -16.519
  217    HD3  LYS  28           HD1      LYS  28  19.783 -19.723 -15.667
  218    HE2  LYS  28           HE2      LYS  28  19.095 -18.114 -13.783
  219    HE3  LYS  28           HE1      LYS  28  17.540 -17.992 -14.600
  220    HZ1  LYS  28           HZ1      LYS  28  16.933 -19.880 -13.591
  221    HZ2  LYS  28           HZ2      LYS  28  18.471 -20.054 -12.888
  222    HZ3  LYS  28           HZ3      LYS  28  18.154 -20.717 -14.421
  223    H    VAL  29           HN       VAL  29  19.035 -13.572 -15.345
  224    HA   VAL  29           HA       VAL  29  16.584 -12.534 -16.378
  225    HB   VAL  29           HB       VAL  29  18.440 -11.179 -14.415
  226   HG11  VAL  29          HG11      VAL  29  16.368 -10.196 -13.581
  227   HG12  VAL  29          HG12      VAL  29  15.423 -11.152 -14.722
  228   HG13  VAL  29          HG13      VAL  29  16.500  -9.887 -15.312
  229   HG21  VAL  29          HG21      VAL  29  17.156 -12.410 -12.673
  230   HG22  VAL  29          HG22      VAL  29  18.080 -13.502 -13.704
  231   HG23  VAL  29          HG23      VAL  29  16.342 -13.323 -13.942
  232    H    PHE  30           HN       PHE  30  19.901 -11.239 -16.240
  233    HA   PHE  30           HA       PHE  30  19.401  -8.841 -17.608
  234    HB2  PHE  30           HB2      PHE  30  21.930 -10.475 -17.384
  235    HB3  PHE  30           HB1      PHE  30  21.862  -8.846 -18.047
  236    HD1  PHE  30           HD1      PHE  30  20.428  -7.138 -16.457
  237    HD2  PHE  30           HD2      PHE  30  22.551 -10.637 -15.136
  238    HE1  PHE  30           HE1      PHE  30  20.564  -6.201 -14.170
  239    HE2  PHE  30           HE2      PHE  30  22.689  -9.688 -12.856
  240    HZ   PHE  30           HZ       PHE  30  21.694  -7.469 -12.371
  241    H    LYS  31           HN       LYS  31  20.450 -12.019 -18.859
  242    HA   LYS  31           HA       LYS  31  20.724 -11.080 -21.543
  243    HB2  LYS  31           HB2      LYS  31  20.466 -13.865 -20.390
  244    HB3  LYS  31           HB1      LYS  31  20.684 -13.553 -22.111
  245    HG2  LYS  31           HG2      LYS  31  22.741 -12.122 -21.358
  246    HG3  LYS  31           HG1      LYS  31  22.597 -13.007 -19.841
  247    HD2  LYS  31           HD2      LYS  31  22.715 -15.145 -21.129
  248    HD3  LYS  31           HD1      LYS  31  22.979 -14.206 -22.597
  249    HE2  LYS  31           HE2      LYS  31  24.943 -13.113 -21.297
  250    HE3  LYS  31           HE1      LYS  31  24.784 -14.485 -20.199
  251    HZ1  LYS  31           HZ1      LYS  31  26.380 -14.970 -21.918
  252    HZ2  LYS  31           HZ2      LYS  31  25.240 -14.625 -23.129
  253    HZ3  LYS  31           HZ3      LYS  31  25.021 -15.966 -22.110
  254    H    GLN  32           HN       GLN  32  18.117 -12.715 -19.777
  255    HA   GLN  32           HA       GLN  32  16.397 -12.888 -22.069
  256    HB2  GLN  32           HB2      GLN  32  15.851 -13.102 -19.100
  257    HB3  GLN  32           HB1      GLN  32  14.640 -13.389 -20.351
  258    HG2  GLN  32           HG2      GLN  32  15.839 -15.254 -21.227
  259    HG3  GLN  32           HG1      GLN  32  17.287 -14.847 -20.307
  260   HE21  GLN  32          HE21      GLN  32  14.855 -17.076 -20.325
  261   HE22  GLN  32          HE22      GLN  32  14.728 -17.387 -18.661
  262    H    TYR  33           HN       TYR  33  16.960 -10.590 -19.492
  263    HA   TYR  33           HA       TYR  33  14.675  -8.967 -19.857
  264    HB2  TYR  33           HB2      TYR  33  15.923  -8.741 -17.838
  265    HB3  TYR  33           HB1      TYR  33  17.421  -8.457 -18.719
  266    HD1  TYR  33           HD1      TYR  33  13.937  -7.059 -18.717
  267    HD2  TYR  33           HD2      TYR  33  18.155  -6.236 -18.705
  268    HE1  TYR  33           HE1      TYR  33  13.464  -4.625 -18.706
  269    HE2  TYR  33           HE2      TYR  33  17.680  -3.804 -18.694
  270    HH   TYR  33           HH       TYR  33  14.363  -2.579 -18.957
  271    H    ALA  34           HN       ALA  34  17.877  -8.986 -21.333
  272    HA   ALA  34           HA       ALA  34  17.758  -6.521 -22.672
  273    HB1  ALA  34           HB1      ALA  34  19.882  -7.447 -22.714
  274    HB2  ALA  34           HB2      ALA  34  19.336  -7.883 -24.333
  275    HB3  ALA  34           HB3      ALA  34  19.277  -9.071 -23.036
  276    H    ASN  35           HN       ASN  35  16.584  -9.751 -23.650
  277    HA   ASN  35           HA       ASN  35  15.815  -8.943 -26.281
  278    HB2  ASN  35           HB2      ASN  35  15.307 -11.308 -24.514
  279    HB3  ASN  35           HB1      ASN  35  14.181 -11.050 -25.844
  280   HD21  ASN  35          HD21      ASN  35  17.561 -11.851 -25.068
  281   HD22  ASN  35          HD22      ASN  35  17.991 -12.310 -26.643
  282    H    ASP  36           HN       ASP  36  14.244  -9.054 -23.138
  283    HA   ASP  36           HA       ASP  36  11.632  -8.384 -24.007
  284    HB2  ASP  36           HB2      ASP  36  12.732  -7.717 -21.288
  285    HB3  ASP  36           HB1      ASP  36  11.096  -8.207 -21.730
  286    H    ASN  37           HN       ASN  37  14.447  -6.402 -23.162
  287    HA   ASN  37           HA       ASN  37  12.816  -3.974 -23.229
  288    HB2  ASN  37           HB2      ASN  37  14.625  -2.863 -22.264
  289    HB3  ASN  37           HB1      ASN  37  14.674  -4.460 -21.538
  290   HD21  ASN  37          HD21      ASN  37  17.021  -3.121 -21.414
  291   HD22  ASN  37          HD22      ASN  37  18.134  -3.708 -22.549
  292    H    GLY  38           HN       GLY  38  14.981  -5.727 -25.353
  293    HA2  GLY  38           HA2      GLY  38  14.621  -5.224 -27.740
  294    HA3  GLY  38           HA1      GLY  38  14.708  -3.521 -27.335
  295    H    VAL  39           HN       VAL  39  17.069  -3.715 -25.610
  296    HA   VAL  39           HA       VAL  39  19.037  -3.693 -27.732
  297    HB   VAL  39           HB       VAL  39  19.297  -1.954 -26.176
  298   HG11  VAL  39          HG11      VAL  39  19.526  -2.450 -23.699
  299   HG12  VAL  39          HG12      VAL  39  18.969  -4.083 -24.058
  300   HG13  VAL  39          HG13      VAL  39  17.920  -2.705 -24.377
  301   HG21  VAL  39          HG21      VAL  39  21.491  -2.261 -25.263
  302   HG22  VAL  39          HG22      VAL  39  21.429  -3.247 -26.724
  303   HG23  VAL  39          HG23      VAL  39  21.267  -4.004 -25.143
  304    H    ASP  40           HN       ASP  40  19.797  -5.550 -28.480
  305    HA   ASP  40           HA       ASP  40  20.811  -7.572 -26.553
  306    HB2  ASP  40           HB2      ASP  40  18.651  -8.165 -27.878
  307    HB3  ASP  40           HB1      ASP  40  19.721  -8.306 -29.270
  308    H    GLY  41           HN       GLY  41  23.023  -7.464 -26.697
  309    HA2  GLY  41           HA2      GLY  41  24.224  -7.533 -29.402
  310    HA3  GLY  41           HA1      GLY  41  24.755  -6.304 -28.264
  311    H    GLU  42           HN       GLU  42  26.908  -7.182 -28.406
  312    HA   GLU  42           HA       GLU  42  27.450  -9.887 -27.630
  313    HB2  GLU  42           HB2      GLU  42  29.479  -7.663 -27.590
  314    HB3  GLU  42           HB1      GLU  42  29.710  -9.367 -27.978
  315    HG2  GLU  42           HG2      GLU  42  28.178  -8.988 -29.977
  316    HG3  GLU  42           HG1      GLU  42  28.321  -7.263 -29.647
  317    H    TRP  43           HN       TRP  43  27.978 -10.686 -25.674
  318    HA   TRP  43           HA       TRP  43  27.675  -8.890 -23.354
  319    HB2  TRP  43           HB2      TRP  43  27.364 -11.868 -23.731
  320    HB3  TRP  43           HB1      TRP  43  27.379 -11.106 -22.138
  321    HD1  TRP  43           HD1      TRP  43  25.322 -11.258 -25.370
  322    HE1  TRP  43           HE1      TRP  43  22.970 -10.320 -24.878
  323    HE3  TRP  43           HE3      TRP  43  26.028  -9.592 -20.609
  324    HZ2  TRP  43           HZ2      TRP  43  21.580  -9.041 -22.738
  325    HZ3  TRP  43           HZ3      TRP  43  24.180  -8.523 -19.363
  326    HH2  TRP  43           HH2      TRP  43  21.955  -8.243 -20.418
  327    H    THR  44           HN       THR  44  28.890  -9.316 -21.469
  328    HA   THR  44           HA       THR  44  31.419 -10.714 -21.610
  329    HB   THR  44           HB       THR  44  31.933  -8.528 -22.702
  330    HG1  THR  44           HG1      THR  44  33.133  -8.225 -20.248
  331   HG21  THR  44          HG21      THR  44  31.243  -7.314 -20.021
  332   HG22  THR  44          HG22      THR  44  30.132  -7.314 -21.390
  333   HG23  THR  44          HG23      THR  44  31.678  -6.474 -21.510
  334    H    TYR  45           HN       TYR  45  32.549 -10.471 -19.380
  335    HA   TYR  45           HA       TYR  45  31.073  -9.350 -17.226
  336    HB2  TYR  45           HB2      TYR  45  29.469 -11.060 -17.533
  337    HB3  TYR  45           HB1      TYR  45  30.703 -12.286 -17.788
  338    HD1  TYR  45           HD1      TYR  45  30.083  -9.669 -15.141
  339    HD2  TYR  45           HD2      TYR  45  30.794 -13.815 -16.025
  340    HE1  TYR  45           HE1      TYR  45  30.055 -10.196 -12.720
  341    HE2  TYR  45           HE2      TYR  45  30.767 -14.336 -13.604
  342    HH   TYR  45           HH       TYR  45  31.266 -12.894 -11.408
  343    H    ASP  46           HN       ASP  46  32.312  -9.110 -15.515
  344    HA   ASP  46           HA       ASP  46  34.713 -10.822 -15.200
  345    HB2  ASP  46           HB2      ASP  46  35.528  -8.686 -15.936
  346    HB3  ASP  46           HB1      ASP  46  34.439  -7.826 -14.849
  347    H    ASP  47           HN       ASP  47  34.326 -12.063 -13.442
  348    HA   ASP  47           HA       ASP  47  32.404 -11.423 -11.450
  349    HB2  ASP  47           HB2      ASP  47  33.057 -13.738 -12.009
  350    HB3  ASP  47           HB1      ASP  47  34.660 -13.436 -11.341
  351    H    ALA  48           HN       ALA  48  35.645 -10.452 -11.891
  352    HA   ALA  48           HA       ALA  48  36.255 -10.038  -9.100
  353    HB1  ALA  48           HB1      ALA  48  38.246  -8.847  -9.986
  354    HB2  ALA  48           HB2      ALA  48  37.610  -9.054 -11.618
  355    HB3  ALA  48           HB3      ALA  48  38.064 -10.466 -10.662
  356    H    THR  49           HN       THR  49  34.441  -8.331 -11.454
  357    HA   THR  49           HA       THR  49  34.483  -5.889  -9.757
  358    HB   THR  49           HB       THR  49  33.859  -4.715 -12.009
  359    HG1  THR  49           HG1      THR  49  33.956  -7.082 -12.882
  360   HG21  THR  49          HG21      THR  49  36.245  -4.380 -12.532
  361   HG22  THR  49          HG22      THR  49  36.660  -5.768 -11.526
  362   HG23  THR  49          HG23      THR  49  35.961  -4.324 -10.793
  363    H    LYS  50           HN       LYS  50  32.670  -8.485 -10.588
  364    HA   LYS  50           HA       LYS  50  30.397  -8.895 -10.816
  365    HB2  LYS  50           HB2      LYS  50  30.137  -6.619  -8.849
  366    HB3  LYS  50           HB1      LYS  50  29.124  -8.053  -8.988
  367    HG2  LYS  50           HG2      LYS  50  32.067  -8.143  -8.244
  368    HG3  LYS  50           HG1      LYS  50  30.758  -8.129  -7.068
  369    HD2  LYS  50           HD2      LYS  50  29.812 -10.162  -8.246
  370    HD3  LYS  50           HD1      LYS  50  31.320 -10.242  -9.158
  371    HE2  LYS  50           HE2      LYS  50  32.603 -10.496  -7.115
  372    HE3  LYS  50           HE1      LYS  50  31.162 -10.243  -6.132
  373    HZ1  LYS  50           HZ1      LYS  50  32.112 -12.635  -7.259
  374    HZ2  LYS  50           HZ2      LYS  50  30.599 -12.280  -7.946
  375    HZ3  LYS  50           HZ3      LYS  50  30.762 -12.401  -6.259
  376    H    THR  51           HN       THR  51  30.919  -7.592 -13.045
  377    HA   THR  51           HA       THR  51  28.650  -5.741 -13.336
  378    HB   THR  51           HB       THR  51  31.476  -5.014 -14.144
  379    HG1  THR  51           HG1      THR  51  29.898  -3.412 -12.530
  380   HG21  THR  51          HG21      THR  51  29.977  -4.198 -15.830
  381   HG22  THR  51          HG22      THR  51  30.331  -2.834 -14.773
  382   HG23  THR  51          HG23      THR  51  28.798  -3.690 -14.622
  383    H    PHE  52           HN       PHE  52  27.513  -6.204 -15.112
  384    HA   PHE  52           HA       PHE  52  28.786  -7.745 -17.304
  385    HB2  PHE  52           HB2      PHE  52  25.913  -7.493 -16.391
  386    HB3  PHE  52           HB1      PHE  52  26.385  -8.268 -17.901
  387    HD1  PHE  52           HD1      PHE  52  27.179  -8.324 -14.236
  388    HD2  PHE  52           HD2      PHE  52  26.865 -10.559 -17.892
  389    HE1  PHE  52           HE1      PHE  52  27.633 -10.423 -12.999
  390    HE2  PHE  52           HE2      PHE  52  27.324 -12.656 -16.650
  391    HZ   PHE  52           HZ       PHE  52  27.706 -12.586 -14.203
  392    H    THR  53           HN       THR  53  28.221  -7.095 -19.511
  393    HA   THR  53           HA       THR  53  26.854  -4.537 -19.849
  394    HB   THR  53           HB       THR  53  28.678  -3.433 -21.004
  395    HG1  THR  53           HG1      THR  53  30.728  -4.961 -20.348
  396   HG21  THR  53          HG21      THR  53  30.150  -2.970 -19.155
  397   HG22  THR  53          HG22      THR  53  29.770  -4.513 -18.394
  398   HG23  THR  53          HG23      THR  53  28.546  -3.251 -18.490
  399    H    VAL  54           HN       VAL  54  25.682  -4.569 -21.704
  400    HA   VAL  54           HA       VAL  54  26.413  -6.576 -23.773
  401    HB   VAL  54           HB       VAL  54  24.239  -6.975 -22.587
  402   HG11  VAL  54          HG11      VAL  54  23.798  -4.445 -22.387
  403   HG12  VAL  54          HG12      VAL  54  22.425  -5.466 -22.809
  404   HG13  VAL  54          HG13      VAL  54  23.244  -4.535 -24.057
  405   HG21  VAL  54          HG21      VAL  54  22.994  -7.420 -24.626
  406   HG22  VAL  54          HG22      VAL  54  24.704  -7.699 -24.955
  407   HG23  VAL  54          HG23      VAL  54  23.929  -6.214 -25.510
  408    H    THR  55           HN       THR  55  27.092  -5.759 -25.644
  409    HA   THR  55           HA       THR  55  26.264  -3.011 -26.416
  410    HB   THR  55           HB       THR  55  28.683  -3.293 -25.584
  411    HG1  THR  55           HG1      THR  55  27.769  -1.624 -27.017
  412   HG21  THR  55          HG21      THR  55  30.278  -4.344 -26.959
  413   HG22  THR  55          HG22      THR  55  29.194  -4.377 -28.351
  414   HG23  THR  55          HG23      THR  55  28.923  -5.471 -26.993
  415    H    GLU  56           HN       GLU  56  25.124  -2.986 -28.252
  416    HA   GLU  56           HA       GLU  56  25.482  -5.187 -30.204
  417    HB2  GLU  56           HB2      GLU  56  23.243  -4.124 -31.090
  418    HB3  GLU  56           HB1      GLU  56  23.216  -5.164 -29.668
  419    HG2  GLU  56           HG2      GLU  56  23.285  -3.208 -28.198
  420    HG3  GLU  56           HG1      GLU  56  23.374  -2.141 -29.602
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  26.246 -12.667  -3.436
    2    H2   MET   1           HT2      MET   1  24.763 -11.837  -3.483
    3    H3   MET   1           HT3      MET   1  25.749 -11.742  -2.103
    4    HA   MET   1           HA       MET   1  26.657  -9.923  -2.906
    5    HB2  MET   1           HB2      MET   1  28.542 -10.348  -4.153
    6    HB3  MET   1           HB1      MET   1  28.046 -12.026  -3.985
    7    HG2  MET   1           HG2      MET   1  26.664 -11.579  -6.174
    8    HG3  MET   1           HG1      MET   1  27.739 -10.192  -6.359
    9    HE1  MET   1           HE1      MET   1  27.081 -13.761  -6.903
   10    HE2  MET   1           HE2      MET   1  27.757 -13.938  -5.288
   11    HE3  MET   1           HE3      MET   1  28.601 -14.634  -6.667
   12    H    GLN   2           HN       GLN   2  26.887  -8.585  -5.220
   13    HA   GLN   2           HA       GLN   2  24.193  -8.621  -6.465
   14    HB2  GLN   2           HB2      GLN   2  25.796  -6.269  -5.450
   15    HB3  GLN   2           HB1      GLN   2  24.440  -6.100  -6.567
   16    HG2  GLN   2           HG2      GLN   2  22.942  -7.178  -4.966
   17    HG3  GLN   2           HG1      GLN   2  24.287  -7.458  -3.861
   18   HE21  GLN   2          HE21      GLN   2  21.809  -5.215  -4.656
   19   HE22  GLN   2          HE22      GLN   2  22.401  -3.897  -3.764
   20    H    TYR   3           HN       TYR   3  24.074  -8.128  -8.612
   21    HA   TYR   3           HA       TYR   3  26.630  -7.786 -10.087
   22    HB2  TYR   3           HB2      TYR   3  24.189  -9.429 -10.794
   23    HB3  TYR   3           HB1      TYR   3  25.480  -9.051 -11.934
   24    HD1  TYR   3           HD2      TYR   3  27.941  -9.506 -10.984
   25    HD2  TYR   3           HD1      TYR   3  24.360 -11.440  -9.605
   26    HE1  TYR   3           HE2      TYR   3  29.290 -11.396 -10.126
   27    HE2  TYR   3           HE1      TYR   3  25.712 -13.330  -8.747
   28    HH   TYR   3           HH       TYR   3  28.250 -14.270  -9.519
   29    H    LYS   4           HN       LYS   4  26.657  -6.204 -11.609
   30    HA   LYS   4           HA       LYS   4  24.130  -4.699 -12.066
   31    HB2  LYS   4           HB2      LYS   4  25.906  -3.542 -10.673
   32    HB3  LYS   4           HB1      LYS   4  26.922  -3.545 -12.113
   33    HG2  LYS   4           HG2      LYS   4  25.157  -2.314 -13.347
   34    HG3  LYS   4           HG1      LYS   4  24.177  -2.270 -11.880
   35    HD2  LYS   4           HD2      LYS   4  25.848  -0.955 -10.718
   36    HD3  LYS   4           HD1      LYS   4  26.986  -1.136 -12.052
   37    HE2  LYS   4           HE2      LYS   4  26.089   1.010 -12.407
   38    HE3  LYS   4           HE1      LYS   4  25.131   0.001 -13.490
   39    HZ1  LYS   4           HZ1      LYS   4  23.437  -0.156 -11.758
   40    HZ2  LYS   4           HZ2      LYS   4  23.715   1.457 -12.213
   41    HZ3  LYS   4           HZ3      LYS   4  24.354   0.860 -10.757
   42    H    LEU   5           HN       LEU   5  23.470  -4.566 -14.089
   43    HA   LEU   5           HA       LEU   5  25.334  -5.247 -16.278
   44    HB2  LEU   5           HB2      LEU   5  23.562  -6.827 -16.212
   45    HB3  LEU   5           HB1      LEU   5  22.359  -5.587 -15.939
   46    HG   LEU   5           HG       LEU   5  22.418  -6.591 -18.270
   47   HD11  LEU   5          HD11      LEU   5  21.776  -4.027 -17.509
   48   HD12  LEU   5          HD12      LEU   5  21.482  -4.718 -19.097
   49   HD13  LEU   5          HD13      LEU   5  22.912  -3.744 -18.816
   50   HD21  LEU   5          HD21      LEU   5  24.764  -4.827 -18.873
   51   HD22  LEU   5          HD22      LEU   5  24.168  -6.227 -19.743
   52   HD23  LEU   5          HD23      LEU   5  25.050  -6.441 -18.239
   53    H    ILE   6           HN       ILE   6  25.866  -3.658 -17.671
   54    HA   ILE   6           HA       ILE   6  24.487  -1.059 -17.435
   55    HB   ILE   6           HB       ILE   6  27.018  -1.706 -18.950
   56   HG12  ILE   6          HG12      ILE   6  27.430  -2.261 -16.629
   57   HG13  ILE   6          HG11      ILE   6  28.173  -0.697 -16.950
   58   HG21  ILE   6          HG21      ILE   6  25.946   0.353 -19.642
   59   HG22  ILE   6          HG22      ILE   6  27.374   0.749 -18.685
   60   HG23  ILE   6          HG23      ILE   6  25.768   0.865 -17.963
   61   HD11  ILE   6          HD11      ILE   6  25.647  -1.299 -15.419
   62   HD12  ILE   6          HD12      ILE   6  25.927   0.301 -16.101
   63   HD13  ILE   6          HD13      ILE   6  27.046  -0.355 -14.910
   64    H    LEU   7           HN       LEU   7  23.267  -0.254 -18.992
   65    HA   LEU   7           HA       LEU   7  22.784  -1.891 -21.367
   66    HB2  LEU   7           HB2      LEU   7  21.347   0.339 -19.964
   67    HB3  LEU   7           HB1      LEU   7  21.004   0.066 -21.668
   68    HG   LEU   7           HG       LEU   7  20.652  -2.431 -20.949
   69   HD11  LEU   7          HD11      LEU   7  20.131  -2.849 -18.690
   70   HD12  LEU   7          HD12      LEU   7  19.985  -1.134 -18.305
   71   HD13  LEU   7          HD13      LEU   7  21.573  -1.842 -18.592
   72   HD21  LEU   7          HD21      LEU   7  18.280  -1.807 -20.201
   73   HD22  LEU   7          HD22      LEU   7  18.810  -1.167 -21.757
   74   HD23  LEU   7          HD23      LEU   7  18.797  -0.125 -20.333
   75    H    ASN   8           HN       ASN   8  23.923  -1.547 -23.092
   76    HA   ASN   8           HA       ASN   8  24.457   1.216 -23.984
   77    HB2  ASN   8           HB2      ASN   8  26.565   0.424 -23.074
   78    HB3  ASN   8           HB1      ASN   8  26.413  -1.099 -23.946
   79   HD21  ASN   8          HD21      ASN   8  28.271  -0.828 -25.310
   80   HD22  ASN   8          HD22      ASN   8  28.372   0.396 -26.482
   81    H    GLY   9           HN       GLY   9  22.628   0.916 -25.340
   82    HA2  GLY   9           HA2      GLY   9  23.072  -0.958 -27.594
   83    HA3  GLY   9           HA1      GLY   9  21.481  -0.672 -26.905
   84    H    LYS  10           HN       LYS  10  20.954  -0.146 -29.149
   85    HA   LYS  10           HA       LYS  10  22.053   2.246 -30.308
   86    HB2  LYS  10           HB2      LYS  10  19.475   0.949 -31.171
   87    HB3  LYS  10           HB1      LYS  10  20.650   1.828 -32.148
   88    HG2  LYS  10           HG2      LYS  10  22.305   0.019 -31.757
   89    HG3  LYS  10           HG1      LYS  10  21.092  -0.872 -30.838
   90    HD2  LYS  10           HD2      LYS  10  19.611  -0.699 -32.930
   91    HD3  LYS  10           HD1      LYS  10  21.071  -0.195 -33.783
   92    HE2  LYS  10           HE2      LYS  10  22.201  -2.279 -33.039
   93    HE3  LYS  10           HE1      LYS  10  20.707  -2.790 -32.254
   94    HZ1  LYS  10           HZ1      LYS  10  20.165  -3.685 -34.197
   95    HZ2  LYS  10           HZ2      LYS  10  21.437  -2.905 -35.012
   96    HZ3  LYS  10           HZ3      LYS  10  19.952  -2.109 -34.789
   97    H    THR  11           HN       THR  11  18.913   1.426 -28.760
   98    HA   THR  11           HA       THR  11  18.491   4.332 -28.314
   99    HB   THR  11           HB       THR  11  16.060   3.914 -28.659
  100    HG1  THR  11           HG1      THR  11  15.470   1.924 -28.814
  101   HG21  THR  11          HG21      THR  11  17.852   3.204 -30.995
  102   HG22  THR  11          HG22      THR  11  17.492   4.841 -30.445
  103   HG23  THR  11          HG23      THR  11  16.207   3.831 -31.108
  104    H    LEU  12           HN       LEU  12  19.375   1.867 -26.597
  105    HA   LEU  12           HA       LEU  12  17.593   2.549 -24.354
  106    HB2  LEU  12           HB2      LEU  12  17.330   0.173 -25.724
  107    HB3  LEU  12           HB1      LEU  12  18.414  -0.299 -24.422
  108    HG   LEU  12           HG       LEU  12  15.635   0.882 -24.204
  109   HD11  LEU  12          HD11      LEU  12  16.149  -1.646 -24.484
  110   HD12  LEU  12          HD12      LEU  12  15.082  -1.171 -23.163
  111   HD13  LEU  12          HD13      LEU  12  16.771  -1.554 -22.836
  112   HD21  LEU  12          HD21      LEU  12  16.545   2.051 -22.417
  113   HD22  LEU  12          HD22      LEU  12  17.887   0.926 -22.222
  114   HD23  LEU  12          HD23      LEU  12  16.292   0.511 -21.610
  115    H    LYS  13           HN       LYS  13  19.047   3.669 -23.171
  116    HA   LYS  13           HA       LYS  13  21.511   2.258 -22.295
  117    HB2  LYS  13           HB2      LYS  13  21.078   4.977 -23.377
  118    HB3  LYS  13           HB1      LYS  13  21.986   4.971 -21.874
  119    HG2  LYS  13           HG2      LYS  13  23.544   4.844 -23.728
  120    HG3  LYS  13           HG1      LYS  13  23.562   3.311 -22.867
  121    HD2  LYS  13           HD2      LYS  13  23.547   2.940 -25.292
  122    HD3  LYS  13           HD1      LYS  13  22.065   2.346 -24.564
  123    HE2  LYS  13           HE2      LYS  13  21.989   5.166 -25.515
  124    HE3  LYS  13           HE1      LYS  13  22.067   3.920 -26.759
  125    HZ1  LYS  13           HZ1      LYS  13  19.796   4.325 -26.246
  126    HZ2  LYS  13           HZ2      LYS  13  20.067   4.129 -24.581
  127    HZ3  LYS  13           HZ3      LYS  13  20.207   2.802 -25.630
  128    H    GLY  14           HN       GLY  14  21.808   2.128 -20.095
  129    HA2  GLY  14           HA2      GLY  14  20.827   3.830 -18.125
  130    HA3  GLY  14           HA1      GLY  14  19.606   2.583 -18.357
  131    H    GLU  15           HN       GLU  15  20.011   1.828 -16.189
  132    HA   GLU  15           HA       GLU  15  22.385   0.067 -15.991
  133    HB2  GLU  15           HB2      GLU  15  21.270   1.587 -13.628
  134    HB3  GLU  15           HB1      GLU  15  22.759   0.650 -13.717
  135    HG2  GLU  15           HG2      GLU  15  22.300   3.090 -15.435
  136    HG3  GLU  15           HG1      GLU  15  22.989   3.193 -13.820
  137    H    THR  16           HN       THR  16  22.049  -1.832 -14.772
  138    HA   THR  16           HA       THR  16  19.378  -2.325 -13.665
  139    HB   THR  16           HB       THR  16  20.458  -4.324 -15.636
  140    HG1  THR  16           HG1      THR  16  20.297  -2.448 -16.811
  141   HG21  THR  16          HG21      THR  16  18.206  -5.086 -15.723
  142   HG22  THR  16          HG22      THR  16  17.607  -3.626 -14.937
  143   HG23  THR  16          HG23      THR  16  18.545  -4.801 -14.016
  144    H    THR  17           HN       THR  17  19.535  -3.500 -11.833
  145    HA   THR  17           HA       THR  17  21.933  -5.202 -11.444
  146    HB   THR  17           HB       THR  17  20.701  -3.661  -9.167
  147    HG1  THR  17           HG1      THR  17  21.724  -2.519 -11.243
  148   HG21  THR  17          HG21      THR  17  22.752  -4.099  -8.084
  149   HG22  THR  17          HG22      THR  17  23.580  -4.452  -9.599
  150   HG23  THR  17          HG23      THR  17  22.409  -5.597  -8.944
  151    H    THR  18           HN       THR  18  21.668  -6.920  -9.924
  152    HA   THR  18           HA       THR  18  18.960  -7.614  -9.086
  153    HB   THR  18           HB       THR  18  19.311  -8.494 -11.453
  154    HG1  THR  18           HG1      THR  18  18.473 -10.540 -10.847
  155   HG21  THR  18          HG21      THR  18  20.826 -10.249 -11.855
  156   HG22  THR  18          HG22      THR  18  21.060 -10.563 -10.136
  157   HG23  THR  18          HG23      THR  18  21.765  -9.124 -10.872
  158    H    GLU  19           HN       GLU  19  18.923  -9.279  -7.509
  159    HA   GLU  19           HA       GLU  19  21.501  -9.612  -6.096
  160    HB2  GLU  19           HB2      GLU  19  19.828  -8.554  -4.732
  161    HB3  GLU  19           HB1      GLU  19  18.615  -9.748  -5.188
  162    HG2  GLU  19           HG2      GLU  19  19.624 -10.092  -2.895
  163    HG3  GLU  19           HG1      GLU  19  19.751 -11.485  -3.966
  164    H    ALA  20           HN       ALA  20  22.449 -11.439  -6.795
  165    HA   ALA  20           HA       ALA  20  20.921 -13.968  -6.618
  166    HB1  ALA  20           HB1      ALA  20  22.258 -14.739  -8.639
  167    HB2  ALA  20           HB2      ALA  20  22.681 -13.047  -8.900
  168    HB3  ALA  20           HB3      ALA  20  20.994 -13.555  -8.971
  169    H    VAL  21           HN       VAL  21  22.316 -15.857  -6.428
  170    HA   VAL  21           HA       VAL  21  24.587 -15.311  -4.681
  171    HB   VAL  21           HB       VAL  21  23.213 -17.016  -3.826
  172   HG11  VAL  21          HG11      VAL  21  21.763 -17.403  -5.694
  173   HG12  VAL  21          HG12      VAL  21  22.487 -18.958  -5.290
  174   HG13  VAL  21          HG13      VAL  21  23.085 -18.042  -6.671
  175   HG21  VAL  21          HG21      VAL  21  24.581 -18.961  -3.788
  176   HG22  VAL  21          HG22      VAL  21  25.702 -17.635  -4.094
  177   HG23  VAL  21          HG23      VAL  21  25.180 -18.672  -5.422
  178    H    ASP  22           HN       ASP  22  23.865 -16.839  -7.788
  179    HA   ASP  22           HA       ASP  22  26.760 -17.187  -8.302
  180    HB2  ASP  22           HB2      ASP  22  25.200 -19.149  -8.545
  181    HB3  ASP  22           HB1      ASP  22  24.448 -18.298  -9.893
  182    H    ALA  23           HN       ALA  23  27.625 -16.604 -10.332
  183    HA   ALA  23           HA       ALA  23  26.714 -14.049 -11.273
  184    HB1  ALA  23           HB1      ALA  23  28.631 -14.340 -12.903
  185    HB2  ALA  23           HB2      ALA  23  28.944 -15.896 -12.134
  186    HB3  ALA  23           HB3      ALA  23  29.075 -14.406 -11.198
  187    H    ALA  24           HN       ALA  24  26.909 -17.309 -12.673
  188    HA   ALA  24           HA       ALA  24  25.916 -16.645 -15.225
  189    HB1  ALA  24           HB1      ALA  24  25.608 -19.304 -13.815
  190    HB2  ALA  24           HB2      ALA  24  27.088 -18.780 -14.618
  191    HB3  ALA  24           HB3      ALA  24  25.612 -19.013 -15.553
  192    H    THR  25           HN       THR  25  24.170 -17.655 -12.242
  193    HA   THR  25           HA       THR  25  21.642 -17.937 -13.476
  194    HB   THR  25           HB       THR  25  22.456 -18.639 -11.079
  195    HG1  THR  25           HG1      THR  25  20.237 -18.587 -12.259
  196   HG21  THR  25          HG21      THR  25  20.962 -16.161 -10.260
  197   HG22  THR  25          HG22      THR  25  22.702 -16.079 -10.512
  198   HG23  THR  25          HG23      THR  25  22.041 -17.176  -9.302
  199    H    ALA  26           HN       ALA  26  23.363 -15.137 -12.246
  200    HA   ALA  26           HA       ALA  26  21.157 -13.340 -12.255
  201    HB1  ALA  26           HB1      ALA  26  23.454 -13.066 -11.117
  202    HB2  ALA  26           HB2      ALA  26  22.738 -11.639 -11.864
  203    HB3  ALA  26           HB3      ALA  26  24.023 -12.517 -12.694
  204    H    GLU  27           HN       GLU  27  23.510 -14.334 -14.672
  205    HA   GLU  27           HA       GLU  27  22.958 -12.357 -16.607
  206    HB2  GLU  27           HB2      GLU  27  24.538 -13.460 -17.830
  207    HB3  GLU  27           HB1      GLU  27  24.745 -14.453 -16.393
  208    HG2  GLU  27           HG2      GLU  27  22.950 -15.994 -17.320
  209    HG3  GLU  27           HG1      GLU  27  23.025 -15.064 -18.816
  210    H    LYS  28           HN       LYS  28  21.287 -15.277 -15.709
  211    HA   LYS  28           HA       LYS  28  19.791 -15.742 -18.026
  212    HB2  LYS  28           HB2      LYS  28  18.990 -16.122 -15.128
  213    HB3  LYS  28           HB1      LYS  28  18.135 -16.808 -16.510
  214    HG2  LYS  28           HG2      LYS  28  20.292 -17.927 -17.189
  215    HG3  LYS  28           HG1      LYS  28  20.986 -17.383 -15.661
  216    HD2  LYS  28           HD2      LYS  28  19.148 -18.574 -14.449
  217    HD3  LYS  28           HD1      LYS  28  18.577 -19.198 -15.997
  218    HE2  LYS  28           HE2      LYS  28  20.531 -20.505 -16.326
  219    HE3  LYS  28           HE1      LYS  28  21.434 -19.616 -15.101
  220    HZ1  LYS  28           HZ1      LYS  28  19.279 -20.630 -13.732
  221    HZ2  LYS  28           HZ2      LYS  28  20.853 -21.266 -13.709
  222    HZ3  LYS  28           HZ3      LYS  28  19.698 -21.894 -14.785
  223    H    VAL  29           HN       VAL  29  19.151 -13.603 -15.271
  224    HA   VAL  29           HA       VAL  29  16.642 -12.663 -16.255
  225    HB   VAL  29           HB       VAL  29  18.497 -11.231 -14.345
  226   HG11  VAL  29          HG11      VAL  29  16.377 -10.350 -13.454
  227   HG12  VAL  29          HG12      VAL  29  15.478 -11.284 -14.650
  228   HG13  VAL  29          HG13      VAL  29  16.533  -9.968 -15.169
  229   HG21  VAL  29          HG21      VAL  29  16.522 -13.481 -13.857
  230   HG22  VAL  29          HG22      VAL  29  17.206 -12.479 -12.576
  231   HG23  VAL  29          HG23      VAL  29  18.257 -13.510 -13.548
  232    H    PHE  30           HN       PHE  30  19.916 -11.258 -16.216
  233    HA   PHE  30           HA       PHE  30  19.300  -8.889 -17.587
  234    HB2  PHE  30           HB2      PHE  30  21.887 -10.434 -17.417
  235    HB3  PHE  30           HB1      PHE  30  21.745  -8.816 -18.095
  236    HD1  PHE  30           HD2      PHE  30  20.277  -7.148 -16.472
  237    HD2  PHE  30           HD1      PHE  30  22.603 -10.533 -15.195
  238    HE1  PHE  30           HE2      PHE  30  20.445  -6.182 -14.201
  239    HE2  PHE  30           HE1      PHE  30  22.780  -9.552 -12.931
  240    HZ   PHE  30           HZ       PHE  30  21.698  -7.378 -12.431
  241    H    LYS  31           HN       LYS  31  20.425 -12.037 -18.845
  242    HA   LYS  31           HA       LYS  31  20.595 -11.114 -21.542
  243    HB2  LYS  31           HB2      LYS  31  20.443 -13.893 -20.356
  244    HB3  LYS  31           HB1      LYS  31  20.590 -13.596 -22.088
  245    HG2  LYS  31           HG2      LYS  31  22.638 -12.117 -21.447
  246    HG3  LYS  31           HG1      LYS  31  22.567 -12.954 -19.898
  247    HD2  LYS  31           HD2      LYS  31  22.680 -15.131 -21.127
  248    HD3  LYS  31           HD1      LYS  31  22.889 -14.230 -22.628
  249    HE2  LYS  31           HE2      LYS  31  24.871 -13.073 -21.445
  250    HE3  LYS  31           HE1      LYS  31  24.756 -14.376 -20.261
  251    HZ1  LYS  31           HZ1      LYS  31  24.968 -15.971 -22.079
  252    HZ2  LYS  31           HZ2      LYS  31  26.317 -14.945 -21.988
  253    HZ3  LYS  31           HZ3      LYS  31  25.139 -14.699 -23.186
  254    H    GLN  32           HN       GLN  32  18.089 -12.805 -19.690
  255    HA   GLN  32           HA       GLN  32  16.301 -13.040 -21.923
  256    HB2  GLN  32           HB2      GLN  32  15.864 -13.253 -18.936
  257    HB3  GLN  32           HB1      GLN  32  14.618 -13.579 -20.141
  258    HG2  GLN  32           HG2      GLN  32  15.839 -15.412 -21.057
  259    HG3  GLN  32           HG1      GLN  32  17.304 -14.964 -20.183
  260   HE21  GLN  32          HE21      GLN  32  14.922 -17.252 -20.122
  261   HE22  GLN  32          HE22      GLN  32  14.860 -17.566 -18.454
  262    H    TYR  33           HN       TYR  33  16.884 -10.707 -19.380
  263    HA   TYR  33           HA       TYR  33  14.532  -9.155 -19.726
  264    HB2  TYR  33           HB2      TYR  33  15.768  -8.937 -17.687
  265    HB3  TYR  33           HB1      TYR  33  17.249  -8.549 -18.562
  266    HD1  TYR  33           HD1      TYR  33  13.830  -7.329 -17.768
  267    HD2  TYR  33           HD2      TYR  33  17.725  -6.328 -19.279
  268    HE1  TYR  33           HE1      TYR  33  13.233  -4.922 -17.713
  269    HE2  TYR  33           HE2      TYR  33  17.128  -3.922 -19.224
  270    HH   TYR  33           HH       TYR  33  13.954  -2.844 -18.007
  271    H    ALA  34           HN       ALA  34  17.750  -9.073 -21.168
  272    HA   ALA  34           HA       ALA  34  17.596  -6.586 -22.449
  273    HB1  ALA  34           HB1      ALA  34  19.123  -9.117 -22.977
  274    HB2  ALA  34           HB2      ALA  34  19.725  -7.543 -22.460
  275    HB3  ALA  34           HB3      ALA  34  19.211  -7.785 -24.129
  276    H    ASN  35           HN       ASN  35  16.423  -9.793 -23.475
  277    HA   ASN  35           HA       ASN  35  15.734  -9.103 -26.115
  278    HB2  ASN  35           HB2      ASN  35  15.787 -11.425 -25.018
  279    HB3  ASN  35           HB1      ASN  35  14.180 -11.041 -24.402
  280   HD21  ASN  35          HD21      ASN  35  15.708 -10.341 -27.612
  281   HD22  ASN  35          HD22      ASN  35  14.486 -11.101 -28.511
  282    H    ASP  36           HN       ASP  36  13.835  -9.053 -23.105
  283    HA   ASP  36           HA       ASP  36  11.461  -8.016 -24.264
  284    HB2  ASP  36           HB2      ASP  36  12.271  -7.587 -21.395
  285    HB3  ASP  36           HB1      ASP  36  10.658  -7.841 -22.063
  286    H    ASN  37           HN       ASN  37  14.435  -6.554 -23.220
  287    HA   ASN  37           HA       ASN  37  13.293  -3.881 -23.050
  288    HB2  ASN  37           HB2      ASN  37  15.717  -5.240 -22.202
  289    HB3  ASN  37           HB1      ASN  37  16.125  -3.739 -23.011
  290   HD21  ASN  37          HD21      ASN  37  16.640  -2.455 -21.175
  291   HD22  ASN  37          HD22      ASN  37  15.533  -2.117 -19.931
  292    H    GLY  38           HN       GLY  38  14.975  -5.847 -25.410
  293    HA2  GLY  38           HA2      GLY  38  14.715  -5.324 -27.747
  294    HA3  GLY  38           HA1      GLY  38  14.746  -3.616 -27.345
  295    H    VAL  39           HN       VAL  39  17.115  -3.820 -25.582
  296    HA   VAL  39           HA       VAL  39  19.096  -3.689 -27.692
  297    HB   VAL  39           HB       VAL  39  19.309  -1.990 -26.062
  298   HG11  VAL  39          HG11      VAL  39  19.518  -2.423 -23.655
  299   HG12  VAL  39          HG12      VAL  39  19.339  -4.150 -23.936
  300   HG13  VAL  39          HG13      VAL  39  17.997  -3.061 -24.269
  301   HG21  VAL  39          HG21      VAL  39  21.456  -3.145 -26.753
  302   HG22  VAL  39          HG22      VAL  39  21.383  -4.036 -25.234
  303   HG23  VAL  39          HG23      VAL  39  21.543  -2.282 -25.219
  304    H    ASP  40           HN       ASP  40  19.866  -5.515 -28.491
  305    HA   ASP  40           HA       ASP  40  20.874  -7.595 -26.624
  306    HB2  ASP  40           HB2      ASP  40  18.723  -8.156 -27.964
  307    HB3  ASP  40           HB1      ASP  40  19.786  -8.233 -29.366
  308    H    GLY  41           HN       GLY  41  23.083  -7.453 -26.749
  309    HA2  GLY  41           HA2      GLY  41  24.299  -7.465 -29.446
  310    HA3  GLY  41           HA1      GLY  41  24.813  -6.253 -28.283
  311    H    GLU  42           HN       GLU  42  26.974  -7.115 -28.417
  312    HA   GLU  42           HA       GLU  42  27.512  -9.830 -27.677
  313    HB2  GLU  42           HB2      GLU  42  29.543  -7.609 -27.584
  314    HB3  GLU  42           HB1      GLU  42  29.773  -9.306 -28.003
  315    HG2  GLU  42           HG2      GLU  42  28.302  -7.225 -29.642
  316    HG3  GLU  42           HG1      GLU  42  29.844  -7.981 -30.040
  317    H    TRP  43           HN       TRP  43  27.826 -10.656 -25.724
  318    HA   TRP  43           HA       TRP  43  27.567  -8.892 -23.388
  319    HB2  TRP  43           HB2      TRP  43  27.262 -11.865 -23.805
  320    HB3  TRP  43           HB1      TRP  43  27.262 -11.125 -22.204
  321    HD1  TRP  43           HD1      TRP  43  25.233 -11.257 -25.450
  322    HE1  TRP  43           HE1      TRP  43  22.873 -10.327 -24.977
  323    HE3  TRP  43           HE3      TRP  43  25.896  -9.602 -20.679
  324    HZ2  TRP  43           HZ2      TRP  43  21.458  -9.056 -22.841
  325    HZ3  TRP  43           HZ3      TRP  43  24.036  -8.543 -19.445
  326    HH2  TRP  43           HH2      TRP  43  21.817  -8.264 -20.516
  327    H    THR  44           HN       THR  44  28.788  -9.330 -21.499
  328    HA   THR  44           HA       THR  44  31.311 -10.737 -21.672
  329    HB   THR  44           HB       THR  44  32.020  -8.681 -22.723
  330    HG1  THR  44           HG1      THR  44  33.168  -7.773 -20.684
  331   HG21  THR  44          HG21      THR  44  30.384  -7.407 -20.534
  332   HG22  THR  44          HG22      THR  44  30.351  -7.099 -22.271
  333   HG23  THR  44          HG23      THR  44  31.703  -6.521 -21.299
  334    H    TYR  45           HN       TYR  45  32.489 -10.484 -19.465
  335    HA   TYR  45           HA       TYR  45  31.009  -9.422 -17.276
  336    HB2  TYR  45           HB2      TYR  45  29.489 -11.219 -17.581
  337    HB3  TYR  45           HB1      TYR  45  30.790 -12.378 -17.830
  338    HD1  TYR  45           HD1      TYR  45  29.974  -9.783 -15.218
  339    HD2  TYR  45           HD2      TYR  45  31.044 -13.863 -16.046
  340    HE1  TYR  45           HE1      TYR  45  29.990 -10.278 -12.792
  341    HE2  TYR  45           HE2      TYR  45  31.059 -14.351 -13.619
  342    HH   TYR  45           HH       TYR  45  31.300 -13.165 -11.508
  343    H    ASP  46           HN       ASP  46  32.266  -9.147 -15.576
  344    HA   ASP  46           HA       ASP  46  34.764 -10.728 -15.345
  345    HB2  ASP  46           HB2      ASP  46  35.429  -8.531 -16.059
  346    HB3  ASP  46           HB1      ASP  46  34.329  -7.760 -14.918
  347    H    ASP  47           HN       ASP  47  34.487 -12.022 -13.605
  348    HA   ASP  47           HA       ASP  47  32.588 -11.512 -11.551
  349    HB2  ASP  47           HB2      ASP  47  33.464 -13.776 -12.275
  350    HB3  ASP  47           HB1      ASP  47  34.938 -13.401 -11.384
  351    H    ALA  48           HN       ALA  48  35.771 -10.400 -12.066
  352    HA   ALA  48           HA       ALA  48  36.452 -10.013  -9.286
  353    HB1  ALA  48           HB1      ALA  48  38.444  -8.997 -10.088
  354    HB2  ALA  48           HB2      ALA  48  37.729  -8.669 -11.666
  355    HB3  ALA  48           HB3      ALA  48  38.103 -10.327 -11.195
  356    H    THR  49           HN       THR  49  34.467  -8.358 -11.526
  357    HA   THR  49           HA       THR  49  34.463  -5.950  -9.784
  358    HB   THR  49           HB       THR  49  33.764  -4.744 -11.999
  359    HG1  THR  49           HG1      THR  49  34.060  -5.826 -13.766
  360   HG21  THR  49          HG21      THR  49  36.618  -5.690 -11.613
  361   HG22  THR  49          HG22      THR  49  35.873  -4.335 -10.764
  362   HG23  THR  49          HG23      THR  49  36.110  -4.258 -12.511
  363    H    LYS  50           HN       LYS  50  32.725  -8.587 -10.659
  364    HA   LYS  50           HA       LYS  50  30.462  -9.066 -10.866
  365    HB2  LYS  50           HB2      LYS  50  30.119  -6.845  -8.850
  366    HB3  LYS  50           HB1      LYS  50  29.200  -8.340  -8.994
  367    HG2  LYS  50           HG2      LYS  50  32.156  -8.270  -8.305
  368    HG3  LYS  50           HG1      LYS  50  30.876  -8.304  -7.097
  369    HD2  LYS  50           HD2      LYS  50  30.001 -10.397  -8.155
  370    HD3  LYS  50           HD1      LYS  50  31.410 -10.401  -9.218
  371    HE2  LYS  50           HE2      LYS  50  32.910 -10.602  -7.335
  372    HE3  LYS  50           HE1      LYS  50  31.584 -10.377  -6.195
  373    HZ1  LYS  50           HZ1      LYS  50  31.459 -12.587  -6.203
  374    HZ2  LYS  50           HZ2      LYS  50  32.403 -12.739  -7.607
  375    HZ3  LYS  50           HZ3      LYS  50  30.736 -12.437  -7.730
  376    H    THR  51           HN       THR  51  30.941  -7.678 -13.063
  377    HA   THR  51           HA       THR  51  28.600  -5.907 -13.303
  378    HB   THR  51           HB       THR  51  31.396  -5.062 -14.112
  379    HG1  THR  51           HG1      THR  51  30.518  -3.290 -12.596
  380   HG21  THR  51          HG21      THR  51  29.869  -4.227 -15.753
  381   HG22  THR  51          HG22      THR  51  30.155  -2.892 -14.635
  382   HG23  THR  51          HG23      THR  51  28.665  -3.829 -14.527
  383    H    PHE  52           HN       PHE  52  27.488  -6.320 -15.109
  384    HA   PHE  52           HA       PHE  52  28.787  -7.814 -17.318
  385    HB2  PHE  52           HB2      PHE  52  25.908  -7.590 -16.414
  386    HB3  PHE  52           HB1      PHE  52  26.389  -8.334 -17.940
  387    HD1  PHE  52           HD1      PHE  52  27.146  -8.455 -14.268
  388    HD2  PHE  52           HD2      PHE  52  26.906 -10.619 -17.972
  389    HE1  PHE  52           HE1      PHE  52  27.605 -10.573 -13.069
  390    HE2  PHE  52           HE2      PHE  52  27.368 -12.734 -16.769
  391    HZ   PHE  52           HZ       PHE  52  27.715 -12.711 -14.315
  392    H    THR  53           HN       THR  53  28.260  -7.129 -19.514
  393    HA   THR  53           HA       THR  53  26.860  -4.586 -19.841
  394    HB   THR  53           HB       THR  53  28.664  -3.418 -20.925
  395    HG1  THR  53           HG1      THR  53  30.787  -4.488 -20.818
  396   HG21  THR  53          HG21      THR  53  28.570  -3.332 -18.414
  397   HG22  THR  53          HG22      THR  53  30.172  -3.036 -19.078
  398   HG23  THR  53          HG23      THR  53  29.788  -4.605 -18.375
  399    H    VAL  54           HN       VAL  54  25.703  -4.623 -21.699
  400    HA   VAL  54           HA       VAL  54  26.478  -6.595 -23.787
  401    HB   VAL  54           HB       VAL  54  24.308  -7.055 -22.635
  402   HG11  VAL  54          HG11      VAL  54  22.476  -5.560 -22.794
  403   HG12  VAL  54          HG12      VAL  54  23.280  -4.573 -24.011
  404   HG13  VAL  54          HG13      VAL  54  23.840  -4.538 -22.340
  405   HG21  VAL  54          HG21      VAL  54  24.803  -7.634 -25.066
  406   HG22  VAL  54          HG22      VAL  54  23.905  -6.185 -25.511
  407   HG23  VAL  54          HG23      VAL  54  23.091  -7.499 -24.662
  408    H    THR  55           HN       THR  55  27.153  -5.744 -25.645
  409    HA   THR  55           HA       THR  55  26.304  -2.992 -26.380
  410    HB   THR  55           HB       THR  55  28.715  -3.261 -25.544
  411    HG1  THR  55           HG1      THR  55  27.719  -1.658 -27.113
  412   HG21  THR  55          HG21      THR  55  28.967  -5.433 -26.968
  413   HG22  THR  55          HG22      THR  55  30.323  -4.309 -26.902
  414   HG23  THR  55          HG23      THR  55  29.262  -4.327 -28.310
  415    H    GLU  56           HN       GLU  56  25.177  -2.937 -28.226
  416    HA   GLU  56           HA       GLU  56  25.575  -5.092 -30.223
  417    HB2  GLU  56           HB2      GLU  56  23.322  -4.074 -31.097
  418    HB3  GLU  56           HB1      GLU  56  23.306  -5.118 -29.677
  419    HG2  GLU  56           HG2      GLU  56  23.323  -3.176 -28.199
  420    HG3  GLU  56           HG1      GLU  56  23.422  -2.094 -29.591
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  25.940 -12.646  -3.805
    2    H2   MET   1           HT2      MET   1  24.534 -11.828  -3.314
    3    H3   MET   1           HT3      MET   1  25.826 -12.028  -2.229
    4    HA   MET   1           HA       MET   1  26.125  -9.873  -2.863
    5    HB2  MET   1           HB2      MET   1  28.246  -9.991  -3.736
    6    HB3  MET   1           HB1      MET   1  27.985 -11.728  -3.645
    7    HG2  MET   1           HG2      MET   1  27.587  -9.957  -6.077
    8    HG3  MET   1           HG1      MET   1  28.825 -11.184  -5.846
    9    HE1  MET   1           HE1      MET   1  28.730 -13.418  -6.430
   10    HE2  MET   1           HE2      MET   1  27.321 -14.470  -6.486
   11    HE3  MET   1           HE3      MET   1  27.841 -13.788  -4.948
   12    H    GLN   2           HN       GLN   2  26.404  -8.352  -4.940
   13    HA   GLN   2           HA       GLN   2  24.010  -8.800  -6.647
   14    HB2  GLN   2           HB2      GLN   2  25.164  -6.257  -5.492
   15    HB3  GLN   2           HB1      GLN   2  23.922  -6.284  -6.743
   16    HG2  GLN   2           HG2      GLN   2  22.422  -7.535  -5.278
   17    HG3  GLN   2           HG1      GLN   2  23.671  -7.628  -4.037
   18   HE21  GLN   2          HE21      GLN   2  24.544  -4.752  -4.674
   19   HE22  GLN   2          HE22      GLN   2  23.356  -3.783  -3.947
   20    H    TYR   3           HN       TYR   3  24.069  -8.179  -8.772
   21    HA   TYR   3           HA       TYR   3  26.726  -7.569  -9.948
   22    HB2  TYR   3           HB2      TYR   3  24.539  -9.410 -10.944
   23    HB3  TYR   3           HB1      TYR   3  25.890  -8.869 -11.940
   24    HD1  TYR   3           HD2      TYR   3  28.280  -9.139 -10.817
   25    HD2  TYR   3           HD1      TYR   3  24.794 -11.404  -9.736
   26    HE1  TYR   3           HE2      TYR   3  29.725 -10.915  -9.874
   27    HE2  TYR   3           HE1      TYR   3  26.243 -13.182  -8.793
   28    HH   TYR   3           HH       TYR   3  29.529 -13.394  -9.422
   29    H    LYS   4           HN       LYS   4  26.718  -6.034 -11.598
   30    HA   LYS   4           HA       LYS   4  24.118  -4.671 -12.073
   31    HB2  LYS   4           HB2      LYS   4  25.955  -3.486 -10.677
   32    HB3  LYS   4           HB1      LYS   4  26.803  -3.301 -12.206
   33    HG2  LYS   4           HG2      LYS   4  25.489  -1.526 -12.784
   34    HG3  LYS   4           HG1      LYS   4  24.024  -2.472 -12.562
   35    HD2  LYS   4           HD2      LYS   4  24.239  -2.027 -10.065
   36    HD3  LYS   4           HD1      LYS   4  25.532  -0.896 -10.455
   37    HE2  LYS   4           HE2      LYS   4  22.792  -0.696 -11.721
   38    HE3  LYS   4           HE1      LYS   4  23.188   0.104 -10.201
   39    HZ1  LYS   4           HZ1      LYS   4  24.853   1.372 -11.237
   40    HZ2  LYS   4           HZ2      LYS   4  23.508   1.458 -12.271
   41    HZ3  LYS   4           HZ3      LYS   4  24.813   0.438 -12.651
   42    H    LEU   5           HN       LEU   5  23.460  -4.517 -14.089
   43    HA   LEU   5           HA       LEU   5  25.333  -5.150 -16.288
   44    HB2  LEU   5           HB2      LEU   5  23.607  -6.776 -16.206
   45    HB3  LEU   5           HB1      LEU   5  22.371  -5.571 -15.920
   46    HG   LEU   5           HG       LEU   5  22.430  -6.581 -18.248
   47   HD11  LEU   5          HD11      LEU   5  21.427  -4.735 -19.066
   48   HD12  LEU   5          HD12      LEU   5  22.836  -3.720 -18.810
   49   HD13  LEU   5          HD13      LEU   5  21.731  -4.029 -17.486
   50   HD21  LEU   5          HD21      LEU   5  24.149  -6.173 -19.746
   51   HD22  LEU   5          HD22      LEU   5  25.057  -6.354 -18.251
   52   HD23  LEU   5          HD23      LEU   5  24.718  -4.753 -18.889
   53    H    ILE   6           HN       ILE   6  25.806  -3.568 -17.706
   54    HA   ILE   6           HA       ILE   6  24.358  -1.002 -17.492
   55    HB   ILE   6           HB       ILE   6  26.909  -1.574 -19.002
   56   HG12  ILE   6          HG12      ILE   6  27.331  -2.145 -16.686
   57   HG13  ILE   6          HG11      ILE   6  28.037  -0.559 -16.991
   58   HG21  ILE   6          HG21      ILE   6  25.710   0.469 -19.632
   59   HG22  ILE   6          HG22      ILE   6  27.204   0.865 -18.780
   60   HG23  ILE   6          HG23      ILE   6  25.656   0.969 -17.941
   61   HD11  ILE   6          HD11      ILE   6  25.520  -1.237 -15.474
   62   HD12  ILE   6          HD12      ILE   6  25.771   0.379 -16.134
   63   HD13  ILE   6          HD13      ILE   6  26.898  -0.272 -14.946
   64    H    LEU   7           HN       LEU   7  23.123  -0.243 -19.067
   65    HA   LEU   7           HA       LEU   7  22.706  -1.915 -21.436
   66    HB2  LEU   7           HB2      LEU   7  21.177   0.313 -20.105
   67    HB3  LEU   7           HB1      LEU   7  20.835  -0.101 -21.781
   68    HG   LEU   7           HG       LEU   7  20.625  -2.557 -20.880
   69   HD11  LEU   7          HD11      LEU   7  21.515  -1.808 -18.581
   70   HD12  LEU   7          HD12      LEU   7  20.069  -2.811 -18.589
   71   HD13  LEU   7          HD13      LEU   7  19.932  -1.071 -18.339
   72   HD21  LEU   7          HD21      LEU   7  18.717  -1.417 -21.766
   73   HD22  LEU   7          HD22      LEU   7  18.638  -0.333 -20.378
   74   HD23  LEU   7          HD23      LEU   7  18.230  -2.037 -20.189
   75    H    ASN   8           HN       ASN   8  24.036  -1.549 -23.043
   76    HA   ASN   8           HA       ASN   8  24.416   1.228 -23.996
   77    HB2  ASN   8           HB2      ASN   8  26.513   0.657 -22.991
   78    HB3  ASN   8           HB1      ASN   8  26.475  -0.966 -23.673
   79   HD21  ASN   8          HD21      ASN   8  27.883  -1.159 -25.408
   80   HD22  ASN   8          HD22      ASN   8  28.244   0.074 -26.517
   81    H    GLY   9           HN       GLY   9  22.704   0.822 -25.469
   82    HA2  GLY   9           HA2      GLY   9  23.365  -1.111 -27.626
   83    HA3  GLY   9           HA1      GLY   9  21.720  -0.804 -27.087
   84    H    LYS  10           HN       LYS  10  20.992  -0.129 -29.077
   85    HA   LYS  10           HA       LYS  10  22.330   1.965 -30.530
   86    HB2  LYS  10           HB2      LYS  10  19.503   1.033 -31.014
   87    HB3  LYS  10           HB1      LYS  10  20.658   1.691 -32.174
   88    HG2  LYS  10           HG2      LYS  10  22.126  -0.343 -31.635
   89    HG3  LYS  10           HG1      LYS  10  20.704  -1.020 -30.838
   90    HD2  LYS  10           HD2      LYS  10  19.447  -0.556 -33.022
   91    HD3  LYS  10           HD1      LYS  10  21.030  -0.288 -33.752
   92    HE2  LYS  10           HE2      LYS  10  21.687  -2.576 -32.802
   93    HE3  LYS  10           HE1      LYS  10  19.969  -2.823 -32.493
   94    HZ1  LYS  10           HZ1      LYS  10  21.271  -3.302 -34.845
   95    HZ2  LYS  10           HZ2      LYS  10  20.459  -1.837 -35.127
   96    HZ3  LYS  10           HZ3      LYS  10  19.591  -3.211 -34.631
   97    H    THR  11           HN       THR  11  19.195   1.813 -28.733
   98    HA   THR  11           HA       THR  11  19.411   4.752 -28.363
   99    HB   THR  11           HB       THR  11  16.927   4.857 -28.594
  100    HG1  THR  11           HG1      THR  11  16.175   2.870 -28.361
  101   HG21  THR  11          HG21      THR  11  18.613   3.878 -30.906
  102   HG22  THR  11          HG22      THR  11  18.222   5.545 -30.482
  103   HG23  THR  11          HG23      THR  11  16.968   4.479 -31.114
  104    H    LEU  12           HN       LEU  12  18.726   1.656 -26.957
  105    HA   LEU  12           HA       LEU  12  17.475   2.829 -24.596
  106    HB2  LEU  12           HB2      LEU  12  17.009   0.500 -25.849
  107    HB3  LEU  12           HB1      LEU  12  18.220  -0.069 -24.704
  108    HG   LEU  12           HG       LEU  12  15.611   1.334 -24.061
  109   HD11  LEU  12          HD11      LEU  12  14.872  -0.709 -23.218
  110   HD12  LEU  12          HD12      LEU  12  16.504  -1.326 -22.983
  111   HD13  LEU  12          HD13      LEU  12  15.821  -1.243 -24.605
  112   HD21  LEU  12          HD21      LEU  12  17.088   2.211 -22.440
  113   HD22  LEU  12          HD22      LEU  12  18.036   0.728 -22.369
  114   HD23  LEU  12          HD23      LEU  12  16.435   0.786 -21.643
  115    H    LYS  13           HN       LYS  13  18.673   3.590 -22.962
  116    HA   LYS  13           HA       LYS  13  21.142   2.170 -22.188
  117    HB2  LYS  13           HB2      LYS  13  20.905   5.126 -22.797
  118    HB3  LYS  13           HB1      LYS  13  22.173   4.484 -21.761
  119    HG2  LYS  13           HG2      LYS  13  23.331   4.330 -23.748
  120    HG3  LYS  13           HG1      LYS  13  22.467   2.806 -23.893
  121    HD2  LYS  13           HD2      LYS  13  20.599   4.379 -25.000
  122    HD3  LYS  13           HD1      LYS  13  21.994   5.409 -25.318
  123    HE2  LYS  13           HE2      LYS  13  21.862   4.031 -27.234
  124    HE3  LYS  13           HE1      LYS  13  23.107   3.257 -26.251
  125    HZ1  LYS  13           HZ1      LYS  13  20.303   2.470 -25.892
  126    HZ2  LYS  13           HZ2      LYS  13  21.715   1.558 -25.656
  127    HZ3  LYS  13           HZ3      LYS  13  21.152   1.870 -27.228
  128    H    GLY  14           HN       GLY  14  21.509   2.074 -20.041
  129    HA2  GLY  14           HA2      GLY  14  20.581   3.787 -18.049
  130    HA3  GLY  14           HA1      GLY  14  19.355   2.539 -18.256
  131    H    GLU  15           HN       GLU  15  19.808   1.766 -16.103
  132    HA   GLU  15           HA       GLU  15  22.207   0.032 -15.960
  133    HB2  GLU  15           HB2      GLU  15  21.095   1.543 -13.590
  134    HB3  GLU  15           HB1      GLU  15  22.578   0.596 -13.669
  135    HG2  GLU  15           HG2      GLU  15  22.129   3.033 -15.396
  136    HG3  GLU  15           HG1      GLU  15  22.844   3.128 -13.793
  137    H    THR  16           HN       THR  16  21.928  -1.875 -14.745
  138    HA   THR  16           HA       THR  16  19.282  -2.441 -13.612
  139    HB   THR  16           HB       THR  16  20.418  -4.379 -15.616
  140    HG1  THR  16           HG1      THR  16  18.348  -2.878 -16.502
  141   HG21  THR  16          HG21      THR  16  18.256  -5.317 -15.609
  142   HG22  THR  16          HG22      THR  16  17.540  -3.869 -14.900
  143   HG23  THR  16          HG23      THR  16  18.554  -4.923 -13.915
  144    H    THR  17           HN       THR  17  19.500  -3.601 -11.774
  145    HA   THR  17           HA       THR  17  21.941  -5.244 -11.413
  146    HB   THR  17           HB       THR  17  20.736  -3.697  -9.126
  147    HG1  THR  17           HG1      THR  17  21.750  -2.601 -11.277
  148   HG21  THR  17          HG21      THR  17  23.622  -4.413  -9.636
  149   HG22  THR  17          HG22      THR  17  22.508  -5.577  -8.926
  150   HG23  THR  17          HG23      THR  17  22.833  -4.059  -8.101
  151    H    THR  18           HN       THR  18  21.739  -6.925  -9.812
  152    HA   THR  18           HA       THR  18  19.091  -7.625  -8.852
  153    HB   THR  18           HB       THR  18  19.267  -8.469 -11.256
  154    HG1  THR  18           HG1      THR  18  18.924 -10.273  -9.098
  155   HG21  THR  18          HG21      THR  18  21.003 -10.636 -10.096
  156   HG22  THR  18          HG22      THR  18  21.736  -9.200 -10.807
  157   HG23  THR  18          HG23      THR  18  20.706 -10.243 -11.788
  158    H    GLU  19           HN       GLU  19  19.127  -9.311  -7.307
  159    HA   GLU  19           HA       GLU  19  21.780  -9.755  -6.066
  160    HB2  GLU  19           HB2      GLU  19  19.980  -8.646  -4.713
  161    HB3  GLU  19           HB1      GLU  19  19.004 -10.100  -4.892
  162    HG2  GLU  19           HG2      GLU  19  20.026 -10.482  -2.826
  163    HG3  GLU  19           HG1      GLU  19  21.127 -11.322  -3.909
  164    H    ALA  20           HN       ALA  20  22.655 -11.655  -6.625
  165    HA   ALA  20           HA       ALA  20  20.962 -14.082  -6.602
  166    HB1  ALA  20           HB1      ALA  20  23.095 -13.618  -8.686
  167    HB2  ALA  20           HB2      ALA  20  21.403 -13.211  -8.965
  168    HB3  ALA  20           HB3      ALA  20  21.867 -14.881  -8.644
  169    H    VAL  21           HN       VAL  21  22.196 -16.060  -6.385
  170    HA   VAL  21           HA       VAL  21  24.353 -15.766  -4.477
  171    HB   VAL  21           HB       VAL  21  22.870 -17.504  -3.926
  172   HG11  VAL  21          HG11      VAL  21  22.975 -18.202  -6.867
  173   HG12  VAL  21          HG12      VAL  21  21.579 -17.686  -5.923
  174   HG13  VAL  21          HG13      VAL  21  22.280 -19.283  -5.662
  175   HG21  VAL  21          HG21      VAL  21  24.944 -19.055  -5.492
  176   HG22  VAL  21          HG22      VAL  21  24.189 -19.483  -3.957
  177   HG23  VAL  21          HG23      VAL  21  25.361 -18.168  -4.026
  178    H    ASP  22           HN       ASP  22  23.895 -16.922  -7.783
  179    HA   ASP  22           HA       ASP  22  26.846 -17.116  -8.100
  180    HB2  ASP  22           HB2      ASP  22  24.619 -18.631  -9.468
  181    HB3  ASP  22           HB1      ASP  22  26.298 -18.662 -10.003
  182    H    ALA  23           HN       ALA  23  27.715 -16.493 -10.132
  183    HA   ALA  23           HA       ALA  23  26.563 -14.068 -11.149
  184    HB1  ALA  23           HB1      ALA  23  29.054 -14.628 -10.895
  185    HB2  ALA  23           HB2      ALA  23  28.560 -13.833 -12.389
  186    HB3  ALA  23           HB3      ALA  23  28.872 -15.569 -12.376
  187    H    ALA  24           HN       ALA  24  27.003 -17.356 -12.392
  188    HA   ALA  24           HA       ALA  24  26.099 -16.863 -15.020
  189    HB1  ALA  24           HB1      ALA  24  25.728 -19.339 -15.097
  190    HB2  ALA  24           HB2      ALA  24  26.103 -19.402 -13.374
  191    HB3  ALA  24           HB3      ALA  24  27.333 -18.878 -14.526
  192    H    THR  25           HN       THR  25  24.298 -17.704 -12.040
  193    HA   THR  25           HA       THR  25  21.830 -18.196 -13.390
  194    HB   THR  25           HB       THR  25  22.611 -18.850 -10.956
  195    HG1  THR  25           HG1      THR  25  20.559 -19.393 -10.652
  196   HG21  THR  25          HG21      THR  25  22.008 -17.422  -9.203
  197   HG22  THR  25          HG22      THR  25  20.905 -16.486 -10.212
  198   HG23  THR  25          HG23      THR  25  22.646 -16.280 -10.385
  199    H    ALA  26           HN       ALA  26  23.382 -15.322 -12.121
  200    HA   ALA  26           HA       ALA  26  21.100 -13.626 -12.163
  201    HB1  ALA  26           HB1      ALA  26  23.348 -13.232 -10.985
  202    HB2  ALA  26           HB2      ALA  26  22.606 -11.845 -11.781
  203    HB3  ALA  26           HB3      ALA  26  23.941 -12.696 -12.558
  204    H    GLU  27           HN       GLU  27  23.515 -14.517 -14.550
  205    HA   GLU  27           HA       GLU  27  23.000 -12.565 -16.482
  206    HB2  GLU  27           HB2      GLU  27  24.544 -13.721 -17.694
  207    HB3  GLU  27           HB1      GLU  27  24.681 -14.758 -16.279
  208    HG2  GLU  27           HG2      GLU  27  22.837 -16.192 -17.257
  209    HG3  GLU  27           HG1      GLU  27  22.944 -15.221 -18.725
  210    H    LYS  28           HN       LYS  28  21.188 -15.425 -15.620
  211    HA   LYS  28           HA       LYS  28  19.702 -15.802 -17.949
  212    HB2  LYS  28           HB2      LYS  28  18.807 -16.124 -15.074
  213    HB3  LYS  28           HB1      LYS  28  17.967 -16.785 -16.479
  214    HG2  LYS  28           HG2      LYS  28  20.231 -17.907 -17.055
  215    HG3  LYS  28           HG1      LYS  28  20.684 -17.532 -15.392
  216    HD2  LYS  28           HD2      LYS  28  18.334 -19.221 -16.301
  217    HD3  LYS  28           HD1      LYS  28  19.765 -19.777 -15.433
  218    HE2  LYS  28           HE2      LYS  28  19.096 -18.139 -13.574
  219    HE3  LYS  28           HE1      LYS  28  17.549 -17.985 -14.404
  220    HZ1  LYS  28           HZ1      LYS  28  18.608 -20.230 -12.862
  221    HZ2  LYS  28           HZ2      LYS  28  17.784 -20.654 -14.285
  222    HZ3  LYS  28           HZ3      LYS  28  17.000 -19.736 -13.088
  223    H    VAL  29           HN       VAL  29  19.135 -13.572 -15.248
  224    HA   VAL  29           HA       VAL  29  16.677 -12.549 -16.286
  225    HB   VAL  29           HB       VAL  29  18.576 -11.143 -14.402
  226   HG11  VAL  29          HG11      VAL  29  15.562 -11.078 -14.743
  227   HG12  VAL  29          HG12      VAL  29  16.679  -9.820 -15.271
  228   HG13  VAL  29          HG13      VAL  29  16.481 -10.157 -13.552
  229   HG21  VAL  29          HG21      VAL  29  16.475 -13.258 -13.834
  230   HG22  VAL  29          HG22      VAL  29  17.276 -12.286 -12.599
  231   HG23  VAL  29          HG23      VAL  29  18.212 -13.416 -13.577
  232    H    PHE  30           HN       PHE  30  19.999 -11.279 -16.231
  233    HA   PHE  30           HA       PHE  30  19.508  -8.938 -17.694
  234    HB2  PHE  30           HB2      PHE  30  22.042 -10.553 -17.413
  235    HB3  PHE  30           HB1      PHE  30  21.959  -8.928 -18.087
  236    HD1  PHE  30           HD1      PHE  30  20.502  -7.223 -16.531
  237    HD2  PHE  30           HD2      PHE  30  22.624 -10.698 -15.149
  238    HE1  PHE  30           HE1      PHE  30  20.588  -6.269 -14.249
  239    HE2  PHE  30           HE2      PHE  30  22.714  -9.734 -12.872
  240    HZ   PHE  30           HZ       PHE  30  21.695  -7.519 -12.421
  241    H    LYS  31           HN       LYS  31  20.516 -12.171 -18.812
  242    HA   LYS  31           HA       LYS  31  20.953 -11.447 -21.502
  243    HB2  LYS  31           HB2      LYS  31  21.519 -13.658 -20.210
  244    HB3  LYS  31           HB1      LYS  31  19.927 -14.173 -20.745
  245    HG2  LYS  31           HG2      LYS  31  21.189 -14.904 -22.549
  246    HG3  LYS  31           HG1      LYS  31  20.807 -13.278 -23.104
  247    HD2  LYS  31           HD2      LYS  31  23.181 -13.635 -23.424
  248    HD3  LYS  31           HD1      LYS  31  22.980 -12.490 -22.102
  249    HE2  LYS  31           HE2      LYS  31  23.799 -13.970 -20.529
  250    HE3  LYS  31           HE1      LYS  31  23.106 -15.380 -21.334
  251    HZ1  LYS  31           HZ1      LYS  31  24.883 -15.591 -22.700
  252    HZ2  LYS  31           HZ2      LYS  31  25.670 -14.892 -21.366
  253    HZ3  LYS  31           HZ3      LYS  31  25.245 -13.934 -22.704
  254    H    GLN  32           HN       GLN  32  18.086 -12.908 -19.956
  255    HA   GLN  32           HA       GLN  32  16.493 -12.796 -22.326
  256    HB2  GLN  32           HB2      GLN  32  15.653 -13.080 -19.433
  257    HB3  GLN  32           HB1      GLN  32  14.647 -13.420 -20.842
  258    HG2  GLN  32           HG2      GLN  32  16.111 -15.210 -21.542
  259    HG3  GLN  32           HG1      GLN  32  17.291 -14.793 -20.300
  260   HE21  GLN  32          HE21      GLN  32  14.979 -17.069 -20.937
  261   HE22  GLN  32          HE22      GLN  32  14.487 -17.434 -19.354
  262    H    TYR  33           HN       TYR  33  17.007 -10.658 -19.595
  263    HA   TYR  33           HA       TYR  33  14.790  -8.968 -19.910
  264    HB2  TYR  33           HB2      TYR  33  16.051  -8.798 -17.910
  265    HB3  TYR  33           HB1      TYR  33  17.555  -8.563 -18.793
  266    HD1  TYR  33           HD1      TYR  33  14.141  -7.018 -18.614
  267    HD2  TYR  33           HD2      TYR  33  18.383  -6.375 -18.874
  268    HE1  TYR  33           HE1      TYR  33  13.775  -4.567 -18.552
  269    HE2  TYR  33           HE2      TYR  33  18.014  -3.925 -18.812
  270    HH   TYR  33           HH       TYR  33  15.476  -2.430 -19.538
  271    H    ALA  34           HN       ALA  34  17.920  -9.031 -21.530
  272    HA   ALA  34           HA       ALA  34  17.826  -6.498 -22.743
  273    HB1  ALA  34           HB1      ALA  34  19.225  -7.922 -24.574
  274    HB2  ALA  34           HB2      ALA  34  19.272  -9.053 -23.225
  275    HB3  ALA  34           HB3      ALA  34  19.913  -7.421 -23.028
  276    H    ASN  35           HN       ASN  35  16.553  -9.651 -23.875
  277    HA   ASN  35           HA       ASN  35  15.630  -8.663 -26.375
  278    HB2  ASN  35           HB2      ASN  35  15.965 -11.104 -25.662
  279    HB3  ASN  35           HB1      ASN  35  14.410 -10.960 -24.843
  280   HD21  ASN  35          HD21      ASN  35  13.807  -8.905 -27.237
  281   HD22  ASN  35          HD22      ASN  35  13.288  -9.957 -28.463
  282    H    ASP  36           HN       ASP  36  14.267  -8.891 -23.150
  283    HA   ASP  36           HA       ASP  36  11.602  -8.195 -23.814
  284    HB2  ASP  36           HB2      ASP  36  12.885  -7.604 -21.158
  285    HB3  ASP  36           HB1      ASP  36  11.225  -8.090 -21.501
  286    H    ASN  37           HN       ASN  37  14.479  -6.244 -23.148
  287    HA   ASN  37           HA       ASN  37  12.840  -3.808 -23.068
  288    HB2  ASN  37           HB2      ASN  37  14.664  -2.726 -22.108
  289    HB3  ASN  37           HB1      ASN  37  14.745  -4.347 -21.436
  290   HD21  ASN  37          HD21      ASN  37  17.082  -2.959 -21.349
  291   HD22  ASN  37          HD22      ASN  37  18.170  -3.513 -22.522
  292    H    GLY  38           HN       GLY  38  14.950  -5.524 -25.273
  293    HA2  GLY  38           HA2      GLY  38  14.506  -4.937 -27.645
  294    HA3  GLY  38           HA1      GLY  38  14.697  -3.255 -27.189
  295    H    VAL  39           HN       VAL  39  17.065  -3.529 -25.574
  296    HA   VAL  39           HA       VAL  39  18.994  -3.631 -27.725
  297    HB   VAL  39           HB       VAL  39  19.348  -1.872 -26.215
  298   HG11  VAL  39          HG11      VAL  39  19.589  -2.338 -23.724
  299   HG12  VAL  39          HG12      VAL  39  18.932  -3.938 -24.055
  300   HG13  VAL  39          HG13      VAL  39  17.963  -2.505 -24.385
  301   HG21  VAL  39          HG21      VAL  39  21.241  -3.988 -25.165
  302   HG22  VAL  39          HG22      VAL  39  21.531  -2.258 -25.283
  303   HG23  VAL  39          HG23      VAL  39  21.427  -3.236 -26.747
  304    H    ASP  40           HN       ASP  40  19.681  -5.530 -28.442
  305    HA   ASP  40           HA       ASP  40  20.647  -7.546 -26.487
  306    HB2  ASP  40           HB2      ASP  40  18.450  -8.092 -27.770
  307    HB3  ASP  40           HB1      ASP  40  19.495  -8.299 -29.172
  308    H    GLY  41           HN       GLY  41  22.863  -7.510 -26.664
  309    HA2  GLY  41           HA2      GLY  41  24.019  -7.684 -29.384
  310    HA3  GLY  41           HA1      GLY  41  24.602  -6.438 -28.288
  311    H    GLU  42           HN       GLU  42  26.728  -7.394 -28.455
  312    HA   GLU  42           HA       GLU  42  27.197 -10.086 -27.590
  313    HB2  GLU  42           HB2      GLU  42  29.217  -7.847 -27.790
  314    HB3  GLU  42           HB1      GLU  42  29.517  -9.583 -27.869
  315    HG2  GLU  42           HG2      GLU  42  29.548  -8.924 -30.131
  316    HG3  GLU  42           HG1      GLU  42  27.921  -9.564 -29.914
  317    H    TRP  43           HN       TRP  43  27.825 -10.819 -25.626
  318    HA   TRP  43           HA       TRP  43  27.580  -8.938 -23.365
  319    HB2  TRP  43           HB2      TRP  43  27.247 -11.925 -23.626
  320    HB3  TRP  43           HB1      TRP  43  27.305 -11.108 -22.063
  321    HD1  TRP  43           HD1      TRP  43  25.175 -11.343 -25.245
  322    HE1  TRP  43           HE1      TRP  43  22.839 -10.379 -24.730
  323    HE3  TRP  43           HE3      TRP  43  25.990  -9.559 -20.544
  324    HZ2  TRP  43           HZ2      TRP  43  21.504  -9.040 -22.593
  325    HZ3  TRP  43           HZ3      TRP  43  24.172  -8.451 -19.287
  326    HH2  TRP  43           HH2      TRP  43  21.928  -8.182 -20.307
  327    H    THR  44           HN       THR  44  28.829  -9.347 -21.483
  328    HA   THR  44           HA       THR  44  31.358 -10.739 -21.661
  329    HB   THR  44           HB       THR  44  31.831  -8.557 -22.790
  330    HG1  THR  44           HG1      THR  44  32.943  -9.047 -20.233
  331   HG21  THR  44          HG21      THR  44  31.610  -6.499 -21.604
  332   HG22  THR  44          HG22      THR  44  31.238  -7.329 -20.092
  333   HG23  THR  44          HG23      THR  44  30.073  -7.341 -21.414
  334    H    TYR  45           HN       TYR  45  32.532 -10.464 -19.460
  335    HA   TYR  45           HA       TYR  45  31.084  -9.335 -17.285
  336    HB2  TYR  45           HB2      TYR  45  29.516 -11.103 -17.587
  337    HB3  TYR  45           HB1      TYR  45  30.794 -12.298 -17.766
  338    HD1  TYR  45           HD2      TYR  45  29.949  -9.603 -15.267
  339    HD2  TYR  45           HD1      TYR  45  31.008 -13.716 -15.923
  340    HE1  TYR  45           HE2      TYR  45  29.892 -10.012 -12.824
  341    HE2  TYR  45           HE1      TYR  45  30.947 -14.121 -13.481
  342    HH   TYR  45           HH       TYR  45  30.314 -13.272 -11.497
  343    H    ASP  46           HN       ASP  46  32.338  -9.091 -15.571
  344    HA   ASP  46           HA       ASP  46  34.801 -10.728 -15.342
  345    HB2  ASP  46           HB2      ASP  46  35.484  -8.523 -16.057
  346    HB3  ASP  46           HB1      ASP  46  34.436  -7.758 -14.863
  347    H    ASP  47           HN       ASP  47  34.498 -12.022 -13.616
  348    HA   ASP  47           HA       ASP  47  32.588 -11.568 -11.588
  349    HB2  ASP  47           HB2      ASP  47  33.490 -13.799 -12.228
  350    HB3  ASP  47           HB1      ASP  47  35.017 -13.362 -11.462
  351    H    ALA  48           HN       ALA  48  35.719 -10.277 -12.015
  352    HA   ALA  48           HA       ALA  48  36.292  -9.890  -9.209
  353    HB1  ALA  48           HB1      ALA  48  37.573  -8.607 -11.628
  354    HB2  ALA  48           HB2      ALA  48  38.084 -10.128 -10.900
  355    HB3  ALA  48           HB3      ALA  48  38.217  -8.626  -9.987
  356    H    THR  49           HN       THR  49  34.911  -7.921 -11.835
  357    HA   THR  49           HA       THR  49  34.601  -5.650  -9.961
  358    HB   THR  49           HB       THR  49  33.856  -4.488 -12.185
  359    HG1  THR  49           HG1      THR  49  33.697  -6.237 -13.500
  360   HG21  THR  49          HG21      THR  49  36.281  -4.154 -12.819
  361   HG22  THR  49          HG22      THR  49  36.693  -5.378 -11.618
  362   HG23  THR  49          HG23      THR  49  35.921  -3.875 -11.115
  363    H    LYS  50           HN       LYS  50  32.897  -8.323 -10.765
  364    HA   LYS  50           HA       LYS  50  30.646  -8.847 -10.946
  365    HB2  LYS  50           HB2      LYS  50  30.074  -6.645  -8.985
  366    HB3  LYS  50           HB1      LYS  50  29.500  -8.304  -8.996
  367    HG2  LYS  50           HG2      LYS  50  32.364  -7.488  -8.381
  368    HG3  LYS  50           HG1      LYS  50  31.140  -7.787  -7.157
  369    HD2  LYS  50           HD2      LYS  50  31.726  -9.905  -9.220
  370    HD3  LYS  50           HD1      LYS  50  32.783  -9.719  -7.827
  371    HE2  LYS  50           HE2      LYS  50  30.894 -10.026  -6.305
  372    HE3  LYS  50           HE1      LYS  50  29.786 -10.138  -7.668
  373    HZ1  LYS  50           HZ1      LYS  50  30.851 -12.261  -6.543
  374    HZ2  LYS  50           HZ2      LYS  50  32.081 -11.936  -7.671
  375    HZ3  LYS  50           HZ3      LYS  50  30.488 -12.204  -8.200
  376    H    THR  51           HN       THR  51  31.083  -7.465 -13.157
  377    HA   THR  51           HA       THR  51  28.712  -5.723 -13.378
  378    HB   THR  51           HB       THR  51  31.438  -4.905 -14.412
  379    HG1  THR  51           HG1      THR  51  31.357  -4.674 -12.192
  380   HG21  THR  51          HG21      THR  51  30.244  -2.753 -14.849
  381   HG22  THR  51          HG22      THR  51  28.734  -3.530 -14.373
  382   HG23  THR  51          HG23      THR  51  29.605  -4.093 -15.800
  383    H    PHE  52           HN       PHE  52  27.538  -6.153 -15.144
  384    HA   PHE  52           HA       PHE  52  28.753  -7.733 -17.340
  385    HB2  PHE  52           HB2      PHE  52  25.897  -7.447 -16.379
  386    HB3  PHE  52           HB1      PHE  52  26.345  -8.261 -17.878
  387    HD1  PHE  52           HD2      PHE  52  26.961  -8.274 -14.191
  388    HD2  PHE  52           HD1      PHE  52  27.042 -10.511 -17.858
  389    HE1  PHE  52           HE2      PHE  52  27.422 -10.352 -12.920
  390    HE2  PHE  52           HE1      PHE  52  27.499 -12.587 -16.582
  391    HZ   PHE  52           HZ       PHE  52  27.691 -12.507 -14.111
  392    H    THR  53           HN       THR  53  28.199  -7.095 -19.534
  393    HA   THR  53           HA       THR  53  26.807  -4.552 -19.896
  394    HB   THR  53           HB       THR  53  28.629  -3.468 -21.090
  395    HG1  THR  53           HG1      THR  53  30.660  -4.447 -21.131
  396   HG21  THR  53          HG21      THR  53  30.057  -2.926 -19.235
  397   HG22  THR  53          HG22      THR  53  29.705  -4.458 -18.441
  398   HG23  THR  53          HG23      THR  53  28.452  -3.229 -18.579
  399    H    VAL  54           HN       VAL  54  25.635  -4.600 -21.752
  400    HA   VAL  54           HA       VAL  54  26.343  -6.654 -23.780
  401    HB   VAL  54           HB       VAL  54  24.173  -7.015 -22.583
  402   HG11  VAL  54          HG11      VAL  54  22.371  -5.493 -22.817
  403   HG12  VAL  54          HG12      VAL  54  23.197  -4.583 -24.079
  404   HG13  VAL  54          HG13      VAL  54  23.755  -4.481 -22.411
  405   HG21  VAL  54          HG21      VAL  54  22.920  -7.497 -24.598
  406   HG22  VAL  54          HG22      VAL  54  24.626  -7.760 -24.957
  407   HG23  VAL  54          HG23      VAL  54  23.825  -6.288 -25.509
  408    H    THR  55           HN       THR  55  27.011  -5.892 -25.679
  409    HA   THR  55           HA       THR  55  26.212  -3.154 -26.504
  410    HB   THR  55           HB       THR  55  28.637  -3.464 -25.686
  411    HG1  THR  55           HG1      THR  55  28.628  -2.579 -28.324
  412   HG21  THR  55          HG21      THR  55  29.082  -4.578 -28.455
  413   HG22  THR  55          HG22      THR  55  28.842  -5.649 -27.076
  414   HG23  THR  55          HG23      THR  55  30.203  -4.529 -27.094
  415    H    GLU  56           HN       GLU  56  25.072  -3.130 -28.334
  416    HA   GLU  56           HA       GLU  56  25.356  -5.379 -30.244
  417    HB2  GLU  56           HB2      GLU  56  23.131  -4.263 -31.123
  418    HB3  GLU  56           HB1      GLU  56  23.095  -5.292 -29.693
  419    HG2  GLU  56           HG2      GLU  56  23.225  -3.337 -28.237
  420    HG3  GLU  56           HG1      GLU  56  23.350  -2.275 -29.640