*HEADER    LIGASE                                  02-APR-07   2YRG              
*TITLE     SOLUTION STRUCTURE OF THE B-BOX DOMAIN FROM TRIPARTITE                
*TITLE    2 MOTIF-CONTAINING PROTEIN 5                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRIPARTITE MOTIF-CONTAINING PROTEIN 5;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: B-BOX DOMAIN;                                              
*COMPND   5 SYNONYM: RING FINGER PROTEIN 88;                                     
*COMPND   6 EC: 6.3.2.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: TRIM5;                                                         
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P070115-01;                               
*SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
*KEYWDS    B-BOX DOMAIN, TRIPARTITE MOTIF-CONTAINING PROTEIN 5, RING             
*KEYWDS   2 FINGER PROTEIN 88, STRUCTURAL GENOMICS, NPPSFA, NATIONAL             
*KEYWDS   3 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,               
*KEYWDS   4 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,               
*KEYWDS   5 LIGASE                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.R.QIN, F.HAYAHSI, S.YOKOYAMA, RIKEN STRUCTURAL                      
*AUTHOR   2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
*REVDAT   1   12-MAY-09 2YRG    0                                                

**************************************************************
During the CYANA calculations automatic implicit swapping of restraints 
involving diastereotopic substitutents was applied for prochrial groups 
without stereospecific assignment. Diastereotopic substitents were 
swapped individually in each conformer to calculate the minimal target 
function and restraint violations.
The optimal swapping for a given prochiral group may differ among 
the 20 conformers that represent the solution structure. The swapping 
is therefore performed implicitly in the program and is not reflected 
in the distance restraint file deposited in the PDB.
**************************************************************

17 CYSS SG   201 ZN   ZN   2.25  5.00E+00
20 HIST ND1  201 ZN   ZN   1.95  5.00E+00
36 CYSS SG   201 ZN   ZN   2.25  5.00E+00
39 CYSS SG   201 ZN   ZN   2.25  5.00E+00

17 CYSS SG    20 HIST ND1  3.50  5.00E+00
17 CYSS SG    36 CYSS SG   3.65  5.00E+00
17 CYSS SG    39 CYSS SG   3.65  5.00E+00
20 HIST ND1   36 CYSS SG   3.50  5.00E+00
20 HIST ND1   39 CYSS SG   3.50  5.00E+00
36 CYSS SG    39 CYSS SG   3.65  5.00E+00

28 CYSS SG   401 ZN   ZN   2.25  5.00E+00
31 ASP  OD1  401 ZN   ZN   1.95  5.00E+00
45 HIST ND1  401 ZN   ZN   1.95  5.00E+00
48 HIST ND1  401 ZN   ZN   1.95  5.00E+00

28 CYSS SG    31 ASP  OD1  3.50  5.00E+00
28 CYSS SG    45 HIST ND1  3.50  5.00E+00
28 CYSS SG    48 HIST ND1  3.50  5.00E+00
31 ASP  OD1   45 HIST ND1  3.16  5.00E+00
31 ASP  OD1   48 HIST ND1  3.16  5.00E+00
45 HIST ND1   48 HIST ND1  3.16  5.00E+00



45 HIST CD2  401 ZN   ZN   4.15  5.00E+00
45 HIST NE2  401 ZN   ZN   4.15  5.00E+00
48 HIST CD2  401 ZN   ZN   4.15  5.00E+00
48 HIST NE2  401 ZN   ZN   4.15  5.00E+00

31 ASP  OD2  401 ZN   ZN   4.20  5.00E+00
17 CYSS SG   201 ZN   ZN   2.35  5.00E+00
20 HIST ND1  201 ZN   ZN   2.05  5.00E+00
36 CYSS SG   201 ZN   ZN   2.35  5.00E+00
39 CYSS SG   201 ZN   ZN   2.35  5.00E+00

17 CYSS SG    20 HIST ND1  3.70  5.00E+00
17 CYSS SG    36 CYSS SG   3.85  5.00E+00
17 CYSS SG    39 CYSS SG   3.85  5.00E+00
20 HIST ND1   36 CYSS SG   3.70  5.00E+00
20 HIST ND1   39 CYSS SG   3.70  5.00E+00
36 CYSS SG    39 CYSS SG   3.85  5.00E+00

28 CYSS SG   401 ZN   ZN   2.35  5.00E+00
31 ASP  OD1  401 ZN   ZN   2.05  5.00E+00
45 HIST ND1  401 ZN   ZN   2.05  5.00E+00
48 HIST ND1  401 ZN   ZN   2.05  5.00E+00

28 CYSS SG    31 ASP  OD1  3.70  5.00E+00
28 CYSS SG    45 HIST ND1  3.70  5.00E+00
28 CYSS SG    48 HIST ND1  3.70  5.00E+00
31 ASP  OD1   45 HIST ND1  3.36  5.00E+00
31 ASP  OD1   48 HIST ND1  3.36  5.00E+00
45 HIST ND1   48 HIST ND1  3.36  5.00E+00

  26  LEU PHI -164.5 -104.5
  26  LEU PSI 113.1 173.1
  27  PHE PHI -148.6 -88.6
  27  PHE PSI 100.9 160.9
  28  CYSS PHI -117.5 -57.5
  28  CYSS PSI  83.9 143.9
  29  GLN PHI -92.5 -32.5
  29  GLN PSI -59.7   0.3
  36  CYSS PHI -153.6 -93.6
  36  CYSS PSI 131.3 191.3
  37  TRP PHI -92.0 -32.0
  37  TRP PSI -66.8  -6.8
  38  LEU PHI -93.8 -33.8
  38  LEU PSI -71.7 -11.7
  39  CYSS PHI -95.6 -35.6
  39  CYSS PSI -69.3  -9.3
  40 GLU PHI -93.3 -33.3
  40 GLU PSI -65.2  -5.2
  41 ARG PHI -123.8 -63.8
  41 ARG PSI -27.8  32.2
  42  SER PHI -120.5 -60.5
  42  SER PSI  89.1 149.1
  43  GLN PHI -88.1 -28.1
  43  GLN PSI -66.7  -6.7
  44 GLU PHI -98.7 -38.7
  44 GLU PSI -58.9   1.1
  46 ARG PHI -97.6 -37.6
  46 ARG PSI 107.5 167.5
  48  HIST PHI -122.4 -62.4
  48  HIST PSI 111.3 171.3
  49  HIS PHI -115.2 -55.2
  49  HIS PSI  97.2 157.2
  50  THR PHI -160.8 -100.8
  50  THR PSI 126.3 186.3
  51  PHE PHI -174.4 -114.4
  51  PHE PSI 116.8 176.8


17  CYSS   CHI1   150   210
20  HIST   CHI1   -90   -30
36  CYSS   CHI1   30    90
39  CYSS   CHI1   -90   -30
28  CYSS   CHI1   150   210
45  HIST   CHI1    -90   -30
48  HIST   CHI1    -90   -30
31  ASP    CHI1    -90   -30
   2 SER   PHI    -175.0    75.0 5.00E-01
   2 SER   PSI     -75.0   185.0 5.00E-01
   2 SER   PHI    -255.0   -25.0 5.00E-01 OR
   2 SER   PSI      25.0    55.0 5.00E-01
   2 SER   PHI    -135.0    75.0 5.00E-01 OR
   2 SER   PSI     105.0   185.0 5.00E-01
   3 SER   PHI    -175.0    75.0 5.00E-01
   3 SER   PSI     -75.0   185.0 5.00E-01
   3 SER   PHI    -255.0   -25.0 5.00E-01 OR
   3 SER   PSI      25.0    55.0 5.00E-01
   3 SER   PHI    -135.0    75.0 5.00E-01 OR
   3 SER   PSI     105.0   185.0 5.00E-01
   5 SER   PHI    -175.0    75.0 5.00E-01
   5 SER   PSI     -75.0   185.0 5.00E-01
   5 SER   PHI    -255.0   -25.0 5.00E-01 OR
   5 SER   PSI      25.0    55.0 5.00E-01
   5 SER   PHI    -135.0    75.0 5.00E-01 OR
   5 SER   PSI     105.0   185.0 5.00E-01
   6 SER   PHI    -175.0    75.0 5.00E-01
   6 SER   PSI     -75.0   185.0 5.00E-01
   6 SER   PHI    -255.0   -25.0 5.00E-01 OR
   6 SER   PSI      25.0    55.0 5.00E-01
   6 SER   PHI    -135.0    75.0 5.00E-01 OR
   6 SER   PSI     105.0   185.0 5.00E-01
   8 SER   PHI    -175.0    75.0 5.00E-01
   8 SER   PSI     -75.0   185.0 5.00E-01
   8 SER   PHI    -255.0   -25.0 5.00E-01 OR
   8 SER   PSI      25.0    55.0 5.00E-01
   8 SER   PHI    -135.0    75.0 5.00E-01 OR
   8 SER   PSI     105.0   185.0 5.00E-01
  10 GLU   PHI    -175.0    75.0 5.00E-01
  10 GLU   PSI     -75.0   185.0 5.00E-01
  10 GLU   PHI    -255.0   -25.0 5.00E-01 OR
  10 GLU   PSI      25.0    55.0 5.00E-01
  10 GLU   PHI    -135.0    75.0 5.00E-01 OR
  10 GLU   PSI     105.0   185.0 5.00E-01
  12 GLN   PHI    -175.0    75.0 5.00E-01
  12 GLN   PSI     -75.0   185.0 5.00E-01
  12 GLN   PHI    -255.0   -25.0 5.00E-01 OR
  12 GLN   PSI      25.0    55.0 5.00E-01
  12 GLN   PHI    -135.0    75.0 5.00E-01 OR
  12 GLN   PSI     105.0   185.0 5.00E-01
  13 LYS   PHI    -175.0    75.0 5.00E-01
  13 LYS   PSI     -75.0   185.0 5.00E-01
  13 LYS   PHI    -255.0   -25.0 5.00E-01 OR
  13 LYS   PSI      25.0    55.0 5.00E-01
  13 LYS   PHI    -135.0    75.0 5.00E-01 OR
  13 LYS   PSI     105.0   185.0 5.00E-01
  14 VAL   PHI    -175.0    75.0 5.00E-01
  14 VAL   PSI     -75.0   185.0 5.00E-01
  14 VAL   PHI    -255.0   -25.0 5.00E-01 OR
  14 VAL   PSI      25.0    55.0 5.00E-01
  14 VAL   PHI    -135.0    75.0 5.00E-01 OR
  14 VAL   PSI     105.0   185.0 5.00E-01
  15 ASP   PHI    -175.0    75.0 5.00E-01
  15 ASP   PSI     -75.0   185.0 5.00E-01
  15 ASP   PHI    -255.0   -25.0 5.00E-01 OR
  15 ASP   PSI      25.0    55.0 5.00E-01
  15 ASP   PHI    -135.0    75.0 5.00E-01 OR
  15 ASP   PSI     105.0   185.0 5.00E-01
  16 HIS   PHI    -175.0    75.0 5.00E-01
  16 HIS   PSI     -75.0   185.0 5.00E-01
  16 HIS   PHI    -255.0   -25.0 5.00E-01 OR
  16 HIS   PSI      25.0    55.0 5.00E-01
  16 HIS   PHI    -135.0    75.0 5.00E-01 OR
  16 HIS   PSI     105.0   185.0 5.00E-01
  17 CYSS  PHI    -175.0    75.0 5.00E-01
  17 CYSS  PSI     -75.0   185.0 5.00E-01
  17 CYSS  PHI    -255.0   -25.0 5.00E-01 OR
  17 CYSS  PSI      25.0    55.0 5.00E-01
  17 CYSS  PHI    -135.0    75.0 5.00E-01 OR
  17 CYSS  PSI     105.0   185.0 5.00E-01
  18 ALA   PHI    -175.0    75.0 5.00E-01
  18 ALA   PSI     -75.0   185.0 5.00E-01
  18 ALA   PHI    -255.0   -25.0 5.00E-01 OR
  18 ALA   PSI      25.0    55.0 5.00E-01
  18 ALA   PHI    -135.0    75.0 5.00E-01 OR
  18 ALA   PSI     105.0   185.0 5.00E-01
  19 ARG   PHI    -175.0    75.0 5.00E-01
  19 ARG   PSI     -75.0   185.0 5.00E-01
  19 ARG   PHI    -255.0   -25.0 5.00E-01 OR
  19 ARG   PSI      25.0    55.0 5.00E-01
  19 ARG   PHI    -135.0    75.0 5.00E-01 OR
  19 ARG   PSI     105.0   185.0 5.00E-01
  20 HIST  PHI    -175.0    75.0 5.00E-01
  20 HIST  PSI     -75.0   185.0 5.00E-01
  20 HIST  PHI    -255.0   -25.0 5.00E-01 OR
  20 HIST  PSI      25.0    55.0 5.00E-01
  20 HIST  PHI    -135.0    75.0 5.00E-01 OR
  20 HIST  PSI     105.0   185.0 5.00E-01
  22 GLU   PHI    -175.0    75.0 5.00E-01
  22 GLU   PSI     -75.0   185.0 5.00E-01
  22 GLU   PHI    -255.0   -25.0 5.00E-01 OR
  22 GLU   PSI      25.0    55.0 5.00E-01
  22 GLU   PHI    -135.0    75.0 5.00E-01 OR
  22 GLU   PSI     105.0   185.0 5.00E-01
  23 LYS   PHI    -175.0    75.0 5.00E-01
  23 LYS   PSI     -75.0   185.0 5.00E-01
  23 LYS   PHI    -255.0   -25.0 5.00E-01 OR
  23 LYS   PSI      25.0    55.0 5.00E-01
  23 LYS   PHI    -135.0    75.0 5.00E-01 OR
  23 LYS   PSI     105.0   185.0 5.00E-01
  24 LEU   PHI    -175.0    75.0 5.00E-01
  24 LEU   PSI     -75.0   185.0 5.00E-01
  24 LEU   PHI    -255.0   -25.0 5.00E-01 OR
  24 LEU   PSI      25.0    55.0 5.00E-01
  24 LEU   PHI    -135.0    75.0 5.00E-01 OR
  24 LEU   PSI     105.0   185.0 5.00E-01
  25 LEU   PHI    -175.0    75.0 5.00E-01
  25 LEU   PSI     -75.0   185.0 5.00E-01
  25 LEU   PHI    -255.0   -25.0 5.00E-01 OR
  25 LEU   PSI      25.0    55.0 5.00E-01
  25 LEU   PHI    -135.0    75.0 5.00E-01 OR
  25 LEU   PSI     105.0   185.0 5.00E-01
  26 LEU   PHI    -175.0    75.0 5.00E-01
  26 LEU   PSI     -75.0   185.0 5.00E-01
  26 LEU   PHI    -255.0   -25.0 5.00E-01 OR
  26 LEU   PSI      25.0    55.0 5.00E-01
  26 LEU   PHI    -135.0    75.0 5.00E-01 OR
  26 LEU   PSI     105.0   185.0 5.00E-01
  27 PHE   PHI    -175.0    75.0 5.00E-01
  27 PHE   PSI     -75.0   185.0 5.00E-01
  27 PHE   PHI    -255.0   -25.0 5.00E-01 OR
  27 PHE   PSI      25.0    55.0 5.00E-01
  27 PHE   PHI    -135.0    75.0 5.00E-01 OR
  27 PHE   PSI     105.0   185.0 5.00E-01
  28 CYSS  PHI    -175.0    75.0 5.00E-01
  28 CYSS  PSI     -75.0   185.0 5.00E-01
  28 CYSS  PHI    -255.0   -25.0 5.00E-01 OR
  28 CYSS  PSI      25.0    55.0 5.00E-01
  28 CYSS  PHI    -135.0    75.0 5.00E-01 OR
  28 CYSS  PSI     105.0   185.0 5.00E-01
  29 GLN   PHI    -175.0    75.0 5.00E-01
  29 GLN   PSI     -75.0   185.0 5.00E-01
  29 GLN   PHI    -255.0   -25.0 5.00E-01 OR
  29 GLN   PSI      25.0    55.0 5.00E-01
  29 GLN   PHI    -135.0    75.0 5.00E-01 OR
  29 GLN   PSI     105.0   185.0 5.00E-01
  30 GLU   PHI    -175.0    75.0 5.00E-01
  30 GLU   PSI     -75.0   185.0 5.00E-01
  30 GLU   PHI    -255.0   -25.0 5.00E-01 OR
  30 GLU   PSI      25.0    55.0 5.00E-01
  30 GLU   PHI    -135.0    75.0 5.00E-01 OR
  30 GLU   PSI     105.0   185.0 5.00E-01
  31 ASP   PHI    -175.0    75.0 5.00E-01
  31 ASP   PSI     -75.0   185.0 5.00E-01
  31 ASP   PHI    -255.0   -25.0 5.00E-01 OR
  31 ASP   PSI      25.0    55.0 5.00E-01
  31 ASP   PHI    -135.0    75.0 5.00E-01 OR
  31 ASP   PSI     105.0   185.0 5.00E-01
  33 LYS   PHI    -175.0    75.0 5.00E-01
  33 LYS   PSI     -75.0   185.0 5.00E-01
  33 LYS   PHI    -255.0   -25.0 5.00E-01 OR
  33 LYS   PSI      25.0    55.0 5.00E-01
  33 LYS   PHI    -135.0    75.0 5.00E-01 OR
  33 LYS   PSI     105.0   185.0 5.00E-01
  34 VAL   PHI    -175.0    75.0 5.00E-01
  34 VAL   PSI     -75.0   185.0 5.00E-01
  34 VAL   PHI    -255.0   -25.0 5.00E-01 OR
  34 VAL   PSI      25.0    55.0 5.00E-01
  34 VAL   PHI    -135.0    75.0 5.00E-01 OR
  34 VAL   PSI     105.0   185.0 5.00E-01
  35 ILE   PHI    -175.0    75.0 5.00E-01
  35 ILE   PSI     -75.0   185.0 5.00E-01
  35 ILE   PHI    -255.0   -25.0 5.00E-01 OR
  35 ILE   PSI      25.0    55.0 5.00E-01
  35 ILE   PHI    -135.0    75.0 5.00E-01 OR
  35 ILE   PSI     105.0   185.0 5.00E-01
  36 CYSS  PHI    -175.0    75.0 5.00E-01
  36 CYSS  PSI     -75.0   185.0 5.00E-01
  36 CYSS  PHI    -255.0   -25.0 5.00E-01 OR
  36 CYSS  PSI      25.0    55.0 5.00E-01
  36 CYSS  PHI    -135.0    75.0 5.00E-01 OR
  36 CYSS  PSI     105.0   185.0 5.00E-01
  37 TRP   PHI    -175.0    75.0 5.00E-01
  37 TRP   PSI     -75.0   185.0 5.00E-01
  37 TRP   PHI    -255.0   -25.0 5.00E-01 OR
  37 TRP   PSI      25.0    55.0 5.00E-01
  37 TRP   PHI    -135.0    75.0 5.00E-01 OR
  37 TRP   PSI     105.0   185.0 5.00E-01
  38 LEU   PHI    -175.0    75.0 5.00E-01
  38 LEU   PSI     -75.0   185.0 5.00E-01
  38 LEU   PHI    -255.0   -25.0 5.00E-01 OR
  38 LEU   PSI      25.0    55.0 5.00E-01
  38 LEU   PHI    -135.0    75.0 5.00E-01 OR
  38 LEU   PSI     105.0   185.0 5.00E-01
  39 CYSS  PHI    -175.0    75.0 5.00E-01
  39 CYSS  PSI     -75.0   185.0 5.00E-01
  39 CYSS  PHI    -255.0   -25.0 5.00E-01 OR
  39 CYSS  PSI      25.0    55.0 5.00E-01
  39 CYSS  PHI    -135.0    75.0 5.00E-01 OR
  39 CYSS  PSI     105.0   185.0 5.00E-01
  40 GLU   PHI    -175.0    75.0 5.00E-01
  40 GLU   PSI     -75.0   185.0 5.00E-01
  40 GLU   PHI    -255.0   -25.0 5.00E-01 OR
  40 GLU   PSI      25.0    55.0 5.00E-01
  40 GLU   PHI    -135.0    75.0 5.00E-01 OR
  40 GLU   PSI     105.0   185.0 5.00E-01
  41 ARG   PHI    -175.0    75.0 5.00E-01
  41 ARG   PSI     -75.0   185.0 5.00E-01
  41 ARG   PHI    -255.0   -25.0 5.00E-01 OR
  41 ARG   PSI      25.0    55.0 5.00E-01
  41 ARG   PHI    -135.0    75.0 5.00E-01 OR
  41 ARG   PSI     105.0   185.0 5.00E-01
  42 SER   PHI    -175.0    75.0 5.00E-01
  42 SER   PSI     -75.0   185.0 5.00E-01
  42 SER   PHI    -255.0   -25.0 5.00E-01 OR
  42 SER   PSI      25.0    55.0 5.00E-01
  42 SER   PHI    -135.0    75.0 5.00E-01 OR
  42 SER   PSI     105.0   185.0 5.00E-01
  43 GLN   PHI    -175.0    75.0 5.00E-01
  43 GLN   PSI     -75.0   185.0 5.00E-01
  43 GLN   PHI    -255.0   -25.0 5.00E-01 OR
  43 GLN   PSI      25.0    55.0 5.00E-01
  43 GLN   PHI    -135.0    75.0 5.00E-01 OR
  43 GLN   PSI     105.0   185.0 5.00E-01
  44 GLU   PHI    -175.0    75.0 5.00E-01
  44 GLU   PSI     -75.0   185.0 5.00E-01
  44 GLU   PHI    -255.0   -25.0 5.00E-01 OR
  44 GLU   PSI      25.0    55.0 5.00E-01
  44 GLU   PHI    -135.0    75.0 5.00E-01 OR
  44 GLU   PSI     105.0   185.0 5.00E-01
  45 HIST  PHI    -175.0    75.0 5.00E-01
  45 HIST  PSI     -75.0   185.0 5.00E-01
  45 HIST  PHI    -255.0   -25.0 5.00E-01 OR
  45 HIST  PSI      25.0    55.0 5.00E-01
  45 HIST  PHI    -135.0    75.0 5.00E-01 OR
  45 HIST  PSI     105.0   185.0 5.00E-01
  46 ARG   PHI    -175.0    75.0 5.00E-01
  46 ARG   PSI     -75.0   185.0 5.00E-01
  46 ARG   PHI    -255.0   -25.0 5.00E-01 OR
  46 ARG   PSI      25.0    55.0 5.00E-01
  46 ARG   PHI    -135.0    75.0 5.00E-01 OR
  46 ARG   PSI     105.0   185.0 5.00E-01
  48 HIST  PHI    -175.0    75.0 5.00E-01
  48 HIST  PSI     -75.0   185.0 5.00E-01
  48 HIST  PHI    -255.0   -25.0 5.00E-01 OR
  48 HIST  PSI      25.0    55.0 5.00E-01
  48 HIST  PHI    -135.0    75.0 5.00E-01 OR
  48 HIST  PSI     105.0   185.0 5.00E-01
  49 HIS   PHI    -175.0    75.0 5.00E-01
  49 HIS   PSI     -75.0   185.0 5.00E-01
  49 HIS   PHI    -255.0   -25.0 5.00E-01 OR
  49 HIS   PSI      25.0    55.0 5.00E-01
  49 HIS   PHI    -135.0    75.0 5.00E-01 OR
  49 HIS   PSI     105.0   185.0 5.00E-01
  50 THR   PHI    -175.0    75.0 5.00E-01
  50 THR   PSI     -75.0   185.0 5.00E-01
  50 THR   PHI    -255.0   -25.0 5.00E-01 OR
  50 THR   PSI      25.0    55.0 5.00E-01
  50 THR   PHI    -135.0    75.0 5.00E-01 OR
  50 THR   PSI     105.0   185.0 5.00E-01
  51 PHE   PHI    -175.0    75.0 5.00E-01
  51 PHE   PSI     -75.0   185.0 5.00E-01
  51 PHE   PHI    -255.0   -25.0 5.00E-01 OR
  51 PHE   PSI      25.0    55.0 5.00E-01
  51 PHE   PHI    -135.0    75.0 5.00E-01 OR
  51 PHE   PSI     105.0   185.0 5.00E-01
  53 THR   PHI    -175.0    75.0 5.00E-01
  53 THR   PSI     -75.0   185.0 5.00E-01
  53 THR   PHI    -255.0   -25.0 5.00E-01 OR
  53 THR   PSI      25.0    55.0 5.00E-01
  53 THR   PHI    -135.0    75.0 5.00E-01 OR
  53 THR   PSI     105.0   185.0 5.00E-01
  54 SER   PHI    -175.0    75.0 5.00E-01
  54 SER   PSI     -75.0   185.0 5.00E-01
  54 SER   PHI    -255.0   -25.0 5.00E-01 OR
  54 SER   PSI      25.0    55.0 5.00E-01
  54 SER   PHI    -135.0    75.0 5.00E-01 OR
  54 SER   PSI     105.0   185.0 5.00E-01
  57 SER   PHI    -175.0    75.0 5.00E-01
  57 SER   PSI     -75.0   185.0 5.00E-01
  57 SER   PHI    -255.0   -25.0 5.00E-01 OR
  57 SER   PSI      25.0    55.0 5.00E-01
  57 SER   PHI    -135.0    75.0 5.00E-01 OR
  57 SER   PSI     105.0   185.0 5.00E-01
  58 SER   PHI    -175.0    75.0 5.00E-01
  58 SER   PSI     -75.0   185.0 5.00E-01
  58 SER   PHI    -255.0   -25.0 5.00E-01 OR
  58 SER   PSI      25.0    55.0 5.00E-01
  58 SER   PHI    -135.0    75.0 5.00E-01 OR
  58 SER   PSI     105.0   185.0 5.00E-01
   2 SER   CHI1    -90.0   210.0 2.00E-01
   2 SER   CHI1     30.0   330.0 2.00E-01
   2 SER   CHI1   -210.0    90.0 2.00E-01
   3 SER   CHI1    -90.0   210.0 2.00E-01
   3 SER   CHI1     30.0   330.0 2.00E-01
   3 SER   CHI1   -210.0    90.0 2.00E-01
   5 SER   CHI1    -90.0   210.0 2.00E-01
   5 SER   CHI1     30.0   330.0 2.00E-01
   5 SER   CHI1   -210.0    90.0 2.00E-01
   6 SER   CHI1    -90.0   210.0 2.00E-01
   6 SER   CHI1     30.0   330.0 2.00E-01
   6 SER   CHI1   -210.0    90.0 2.00E-01
   8 SER   CHI1    -90.0   210.0 2.00E-01
   8 SER   CHI1     30.0   330.0 2.00E-01
   8 SER   CHI1   -210.0    90.0 2.00E-01
  10 GLU   CHI1    -90.0   210.0 2.00E-01
  10 GLU   CHI1     30.0   330.0 2.00E-01
  10 GLU   CHI1   -210.0    90.0 2.00E-01
  10 GLU   CHI2    -90.0   210.0 2.00E-01
  10 GLU   CHI2     30.0   330.0 2.00E-01
  10 GLU   CHI2   -210.0    90.0 2.00E-01
  12 GLN   CHI1    -90.0   210.0 2.00E-01
  12 GLN   CHI1     30.0   330.0 2.00E-01
  12 GLN   CHI1   -210.0    90.0 2.00E-01
  12 GLN   CHI2    -90.0   210.0 2.00E-01
  12 GLN   CHI2     30.0   330.0 2.00E-01
  12 GLN   CHI2   -210.0    90.0 2.00E-01
  13 LYS   CHI1    -90.0   210.0 2.00E-01
  13 LYS   CHI1     30.0   330.0 2.00E-01
  13 LYS   CHI1   -210.0    90.0 2.00E-01
  13 LYS   CHI2    -90.0   210.0 2.00E-01
  13 LYS   CHI2     30.0   330.0 2.00E-01
  13 LYS   CHI2   -210.0    90.0 2.00E-01
  13 LYS   CHI3    -90.0   210.0 2.00E-01
  13 LYS   CHI3     30.0   330.0 2.00E-01
  13 LYS   CHI3   -210.0    90.0 2.00E-01
  13 LYS   CHI4    -90.0   210.0 2.00E-01
  13 LYS   CHI4     30.0   330.0 2.00E-01
  13 LYS   CHI4   -210.0    90.0 2.00E-01
  14 VAL   CHI1    -90.0   210.0 2.00E-01
  14 VAL   CHI1     30.0   330.0 2.00E-01
  14 VAL   CHI1   -210.0    90.0 2.00E-01
  15 ASP   CHI1    -90.0   210.0 2.00E-01
  15 ASP   CHI1     30.0   330.0 2.00E-01
  15 ASP   CHI1   -210.0    90.0 2.00E-01
  16 HIS   CHI1    -90.0   210.0 2.00E-01
  16 HIS   CHI1     30.0   330.0 2.00E-01
  16 HIS   CHI1   -210.0    90.0 2.00E-01
  17 CYSS  CHI1    -90.0   210.0 2.00E-01
  17 CYSS  CHI1     30.0   330.0 2.00E-01
  17 CYSS  CHI1   -210.0    90.0 2.00E-01
  19 ARG   CHI1    -90.0   210.0 2.00E-01
  19 ARG   CHI1     30.0   330.0 2.00E-01
  19 ARG   CHI1   -210.0    90.0 2.00E-01
  19 ARG   CHI2    -90.0   210.0 2.00E-01
  19 ARG   CHI2     30.0   330.0 2.00E-01
  19 ARG   CHI2   -210.0    90.0 2.00E-01
  19 ARG   CHI3    -90.0   210.0 2.00E-01
  19 ARG   CHI3     30.0   330.0 2.00E-01
  19 ARG   CHI3   -210.0    90.0 2.00E-01
  20 HIST  CHI1    -90.0   210.0 2.00E-01
  20 HIST  CHI1     30.0   330.0 2.00E-01
  20 HIST  CHI1   -210.0    90.0 2.00E-01
  22 GLU   CHI1    -90.0   210.0 2.00E-01
  22 GLU   CHI1     30.0   330.0 2.00E-01
  22 GLU   CHI1   -210.0    90.0 2.00E-01
  22 GLU   CHI2    -90.0   210.0 2.00E-01
  22 GLU   CHI2     30.0   330.0 2.00E-01
  22 GLU   CHI2   -210.0    90.0 2.00E-01
  23 LYS   CHI1    -90.0   210.0 2.00E-01
  23 LYS   CHI1     30.0   330.0 2.00E-01
  23 LYS   CHI1   -210.0    90.0 2.00E-01
  23 LYS   CHI2    -90.0   210.0 2.00E-01
  23 LYS   CHI2     30.0   330.0 2.00E-01
  23 LYS   CHI2   -210.0    90.0 2.00E-01
  23 LYS   CHI3    -90.0   210.0 2.00E-01
  23 LYS   CHI3     30.0   330.0 2.00E-01
  23 LYS   CHI3   -210.0    90.0 2.00E-01
  23 LYS   CHI4    -90.0   210.0 2.00E-01
  23 LYS   CHI4     30.0   330.0 2.00E-01
  23 LYS   CHI4   -210.0    90.0 2.00E-01
  24 LEU   CHI1    -90.0   210.0 2.00E-01
  24 LEU   CHI1     30.0   330.0 2.00E-01
  24 LEU   CHI1   -210.0    90.0 2.00E-01
  24 LEU   CHI2    -90.0   210.0 2.00E-01
  24 LEU   CHI2     30.0   330.0 2.00E-01
  24 LEU   CHI2   -210.0    90.0 2.00E-01
  25 LEU   CHI1    -90.0   210.0 2.00E-01
  25 LEU   CHI1     30.0   330.0 2.00E-01
  25 LEU   CHI1   -210.0    90.0 2.00E-01
  25 LEU   CHI2    -90.0   210.0 2.00E-01
  25 LEU   CHI2     30.0   330.0 2.00E-01
  25 LEU   CHI2   -210.0    90.0 2.00E-01
  26 LEU   CHI1    -90.0   210.0 2.00E-01
  26 LEU   CHI1     30.0   330.0 2.00E-01
  26 LEU   CHI1   -210.0    90.0 2.00E-01
  26 LEU   CHI2    -90.0   210.0 2.00E-01
  26 LEU   CHI2     30.0   330.0 2.00E-01
  26 LEU   CHI2   -210.0    90.0 2.00E-01
  27 PHE   CHI1    -90.0   210.0 2.00E-01
  27 PHE   CHI1     30.0   330.0 2.00E-01
  27 PHE   CHI1   -210.0    90.0 2.00E-01
  28 CYSS  CHI1    -90.0   210.0 2.00E-01
  28 CYSS  CHI1     30.0   330.0 2.00E-01
  28 CYSS  CHI1   -210.0    90.0 2.00E-01
  29 GLN   CHI1    -90.0   210.0 2.00E-01
  29 GLN   CHI1     30.0   330.0 2.00E-01
  29 GLN   CHI1   -210.0    90.0 2.00E-01
  29 GLN   CHI2    -90.0   210.0 2.00E-01
  29 GLN   CHI2     30.0   330.0 2.00E-01
  29 GLN   CHI2   -210.0    90.0 2.00E-01
  30 GLU   CHI1    -90.0   210.0 2.00E-01
  30 GLU   CHI1     30.0   330.0 2.00E-01
  30 GLU   CHI1   -210.0    90.0 2.00E-01
  30 GLU   CHI2    -90.0   210.0 2.00E-01
  30 GLU   CHI2     30.0   330.0 2.00E-01
  30 GLU   CHI2   -210.0    90.0 2.00E-01
  31 ASP   CHI1    -90.0   210.0 2.00E-01
  31 ASP   CHI1     30.0   330.0 2.00E-01
  31 ASP   CHI1   -210.0    90.0 2.00E-01
  33 LYS   CHI1    -90.0   210.0 2.00E-01
  33 LYS   CHI1     30.0   330.0 2.00E-01
  33 LYS   CHI1   -210.0    90.0 2.00E-01
  33 LYS   CHI2    -90.0   210.0 2.00E-01
  33 LYS   CHI2     30.0   330.0 2.00E-01
  33 LYS   CHI2   -210.0    90.0 2.00E-01
  33 LYS   CHI3    -90.0   210.0 2.00E-01
  33 LYS   CHI3     30.0   330.0 2.00E-01
  33 LYS   CHI3   -210.0    90.0 2.00E-01
  33 LYS   CHI4    -90.0   210.0 2.00E-01
  33 LYS   CHI4     30.0   330.0 2.00E-01
  33 LYS   CHI4   -210.0    90.0 2.00E-01
  34 VAL   CHI1    -90.0   210.0 2.00E-01
  34 VAL   CHI1     30.0   330.0 2.00E-01
  34 VAL   CHI1   -210.0    90.0 2.00E-01
  35 ILE   CHI1    -90.0   210.0 2.00E-01
  35 ILE   CHI1     30.0   330.0 2.00E-01
  35 ILE   CHI1   -210.0    90.0 2.00E-01
  35 ILE   CHI21   -90.0   210.0 2.00E-01
  35 ILE   CHI21    30.0   330.0 2.00E-01
  35 ILE   CHI21  -210.0    90.0 2.00E-01
  36 CYSS  CHI1    -90.0   210.0 2.00E-01
  36 CYSS  CHI1     30.0   330.0 2.00E-01
  36 CYSS  CHI1   -210.0    90.0 2.00E-01
  37 TRP   CHI1    -90.0   210.0 2.00E-01
  37 TRP   CHI1     30.0   330.0 2.00E-01
  37 TRP   CHI1   -210.0    90.0 2.00E-01
  38 LEU   CHI1    -90.0   210.0 2.00E-01
  38 LEU   CHI1     30.0   330.0 2.00E-01
  38 LEU   CHI1   -210.0    90.0 2.00E-01
  38 LEU   CHI2    -90.0   210.0 2.00E-01
  38 LEU   CHI2     30.0   330.0 2.00E-01
  38 LEU   CHI2   -210.0    90.0 2.00E-01
  39 CYSS  CHI1    -90.0   210.0 2.00E-01
  39 CYSS  CHI1     30.0   330.0 2.00E-01
  39 CYSS  CHI1   -210.0    90.0 2.00E-01
  40 GLU   CHI1    -90.0   210.0 2.00E-01
  40 GLU   CHI1     30.0   330.0 2.00E-01
  40 GLU   CHI1   -210.0    90.0 2.00E-01
  40 GLU   CHI2    -90.0   210.0 2.00E-01
  40 GLU   CHI2     30.0   330.0 2.00E-01
  40 GLU   CHI2   -210.0    90.0 2.00E-01
  41 ARG   CHI1    -90.0   210.0 2.00E-01
  41 ARG   CHI1     30.0   330.0 2.00E-01
  41 ARG   CHI1   -210.0    90.0 2.00E-01
  41 ARG   CHI2    -90.0   210.0 2.00E-01
  41 ARG   CHI2     30.0   330.0 2.00E-01
  41 ARG   CHI2   -210.0    90.0 2.00E-01
  41 ARG   CHI3    -90.0   210.0 2.00E-01
  41 ARG   CHI3     30.0   330.0 2.00E-01
  41 ARG   CHI3   -210.0    90.0 2.00E-01
  42 SER   CHI1    -90.0   210.0 2.00E-01
  42 SER   CHI1     30.0   330.0 2.00E-01
  42 SER   CHI1   -210.0    90.0 2.00E-01
  43 GLN   CHI1    -90.0   210.0 2.00E-01
  43 GLN   CHI1     30.0   330.0 2.00E-01
  43 GLN   CHI1   -210.0    90.0 2.00E-01
  43 GLN   CHI2    -90.0   210.0 2.00E-01
  43 GLN   CHI2     30.0   330.0 2.00E-01
  43 GLN   CHI2   -210.0    90.0 2.00E-01
  44 GLU   CHI1    -90.0   210.0 2.00E-01
  44 GLU   CHI1     30.0   330.0 2.00E-01
  44 GLU   CHI1   -210.0    90.0 2.00E-01
  44 GLU   CHI2    -90.0   210.0 2.00E-01
  44 GLU   CHI2     30.0   330.0 2.00E-01
  44 GLU   CHI2   -210.0    90.0 2.00E-01
  45 HIST  CHI1    -90.0   210.0 2.00E-01
  45 HIST  CHI1     30.0   330.0 2.00E-01
  45 HIST  CHI1   -210.0    90.0 2.00E-01
  46 ARG   CHI1    -90.0   210.0 2.00E-01
  46 ARG   CHI1     30.0   330.0 2.00E-01
  46 ARG   CHI1   -210.0    90.0 2.00E-01
  46 ARG   CHI2    -90.0   210.0 2.00E-01
  46 ARG   CHI2     30.0   330.0 2.00E-01
  46 ARG   CHI2   -210.0    90.0 2.00E-01
  46 ARG   CHI3    -90.0   210.0 2.00E-01
  46 ARG   CHI3     30.0   330.0 2.00E-01
  46 ARG   CHI3   -210.0    90.0 2.00E-01
  48 HIST  CHI1    -90.0   210.0 2.00E-01
  48 HIST  CHI1     30.0   330.0 2.00E-01
  48 HIST  CHI1   -210.0    90.0 2.00E-01
  49 HIS   CHI1    -90.0   210.0 2.00E-01
  49 HIS   CHI1     30.0   330.0 2.00E-01
  49 HIS   CHI1   -210.0    90.0 2.00E-01
  50 THR   CHI1    -90.0   210.0 2.00E-01
  50 THR   CHI1     30.0   330.0 2.00E-01
  50 THR   CHI1   -210.0    90.0 2.00E-01
  51 PHE   CHI1    -90.0   210.0 2.00E-01
  51 PHE   CHI1     30.0   330.0 2.00E-01
  51 PHE   CHI1   -210.0    90.0 2.00E-01
  53 THR   CHI1    -90.0   210.0 2.00E-01
  53 THR   CHI1     30.0   330.0 2.00E-01
  53 THR   CHI1   -210.0    90.0 2.00E-01
  54 SER   CHI1    -90.0   210.0 2.00E-01
  54 SER   CHI1     30.0   330.0 2.00E-01
  54 SER   CHI1   -210.0    90.0 2.00E-01
  57 SER   CHI1    -90.0   210.0 2.00E-01
  57 SER   CHI1     30.0   330.0 2.00E-01
  57 SER   CHI1   -210.0    90.0 2.00E-01
  58 SER   CHI1    -90.0   210.0 2.00E-01
  58 SER   CHI1     30.0   330.0 2.00E-01
  58 SER   CHI1   -210.0    90.0 2.00E-01
 43 GLN  HA     46 ARG  HN      3.65 #SUP  0.98  #QF  0.98
 45 HIST HB2    46 ARG  HN      4.20 #SUP  0.96  #QF  0.95
 46 ARG  HN     46 ARG  QB      2.67 #SUP  0.95  #QF  0.95
 46 ARG  HN     46 ARG  QG      3.91 #SUP  0.95  #QF  0.95
 48 HIST HB3    49 HIS  HN      3.51 #SUP  0.98  #QF  0.98
 49 HIS  HN     49 HIS  QB      3.55 #SUP  0.82  #QF  0.82
 48 HIST HB2    49 HIS  HN      4.19 #SUP  0.99  #QF  0.99
 15 ASP  HN     15 ASP  QB      3.34 #SUP  1.00
 14 VAL  QG2    15 ASP  HN      3.77 #SUP  0.98  #QF  0.98
 15 ASP  HA     24 LEU  HN      4.75 #SUP  0.80  #QF  0.80
 23 LYS  HA     24 LEU  HN      2.95 #SUP  0.99  #QF  0.99
 24 LEU  HN     24 LEU  HB2     3.26 #SUP  0.99  #QF  0.99
 24 LEU  HN     24 LEU  HG      3.41 #SUP  0.99  #QF  0.99
 24 LEU  HN     24 LEU  HB3     3.68 #SUP  1.00
 14 VAL  QG1    24 LEU  HN      5.50 #SUP  0.98  #QF  0.47
 16 HIS  HN     17 CYSS HN      4.70 #SUP  0.95  #QF  0.95
 17 CYSS HN     24 LEU  HN      4.00 #SUP  0.94  #QF  0.94
 17 CYSS HN     22 GLU  HN      3.78 #SUP  0.96  #QF  0.96
 17 CYSS HN     21 GLY  HA1     4.00 #SUP  0.93  #QF  0.40
 17 CYSS HN     23 LYS  HA      4.30 #SUP  0.93  #QF  0.40
 17 CYSS HN     20 HIST HB2     5.50 #SUP  1.00  #QF  0.92
 17 CYSS HN     36 CYSS HB2     5.50 #SUP  1.00  #QF  0.92
 17 CYSS HN     17 CYSS HB3     3.05 #SUP  0.98  #QF  0.98
 17 CYSS HN     17 CYSS HB2     3.05 #SUP  0.98  #QF  0.98
 16 HIS  HB3    17 CYSS HN      3.51 #SUP  0.92  #QF  0.92
 17 CYSS HN     24 LEU  HG      3.60 #SUP  0.98  #QF  0.98
 13 LYS  HN     14 VAL  HN      4.60 #SUP  1.00
 12 GLN  HA     13 LYS  HN      2.96 #SUP  0.86  #QF  0.86
 13 LYS  HN     13 LYS  HB2     3.90 #SUP  1.00
 13 LYS  HN     13 LYS  HB3     3.90 #SUP  0.99  #QF  0.99
 25 LEU  HN     26 LEU  HN      2.93 #SUP  0.92  #QF  0.92
 24 LEU  HA     25 LEU  HN      2.79 #SUP  0.97  #QF  0.97
 25 LEU  HN     25 LEU  HB3     3.82 #SUP  0.99  #QF  0.99
 25 LEU  HN     25 LEU  HB2     3.14 #SUP  0.98  #QF  0.98
 25 LEU  HN     25 LEU  HG      3.33 #SUP  0.99  #QF  0.99
 24 LEU  HB3    25 LEU  HN      4.14 #SUP  0.78  #QF  0.78
 25 LEU  HN     25 LEU  QD1     4.13 #SUP  0.74  #QF  0.74
 25 LEU  HN     25 LEU  QD2     4.13 #SUP  0.99  #QF  0.99
 27 PHE  HN     51 PHE  HN      3.36 #SUP  0.99  #QF  0.99
 27 PHE  HN     53 THR  HN      4.14 #SUP  0.88  #QF  0.88
 27 PHE  HN     27 PHE  QD      4.56 #SUP  1.00
 27 PHE  HN     50 THR  HA      4.43 #SUP  0.98  #QF  0.98
 26 LEU  HA     27 PHE  HN      2.89 #SUP  0.95  #QF  0.95
 27 PHE  HN     50 THR  HB      4.15 #SUP  0.99  #QF  0.99
 27 PHE  HN     27 PHE  HB2     3.29 #SUP  0.98  #QF  0.98
 27 PHE  HN     27 PHE  HB3     3.27 #SUP  0.99  #QF  0.99
 26 LEU  HB2    27 PHE  HN      4.20 #SUP  0.97  #QF  0.97
 27 PHE  HN     53 THR  QG2     3.63 #SUP  0.98  #QF  0.98
 27 PHE  HN     50 THR  QG2     4.40 #SUP  0.96  #QF  0.96
 26 LEU  HB3    27 PHE  HN      3.56 #SUP  0.99  #QF  0.99
 30 GLU  HN     31 ASP  HN      3.68 #SUP  0.98  #QF  0.98
 30 GLU  HN     48 HIST HB3     4.62 #SUP  0.99  #QF  0.99
 29 GLN  QB     30 GLU  HN      3.65 #SUP  0.99  #QF  0.99
 30 GLU  HN     30 GLU  QG      3.78 #SUP  1.00
 30 GLU  HN     30 GLU  HB2     3.63 #SUP  0.98  #QF  0.98
 30 GLU  HN     30 GLU  HB3     3.63 #SUP  1.00
 14 VAL  HN     15 ASP  HN      4.17 #SUP  0.95  #QF  0.95
 13 LYS  HA     14 VAL  HN      2.58 #SUP  0.97  #QF  0.97
 13 LYS  HB2    14 VAL  HN      4.51 #SUP  0.97  #QF  0.97
 14 VAL  HN     14 VAL  QG1     2.92 #SUP  0.97  #QF  0.97
  9 PRO  HA     10 GLU  HN      3.49 #SUP  0.99  #QF  0.99
 10 GLU  HN     10 GLU  QG      4.14 #SUP  0.99  #QF  0.99
  9 PRO  QG     10 GLU  HN      3.73 #SUP  0.90  #QF  0.66
 23 LYS  HN     23 LYS  QD      4.74 #SUP  0.95  #QF  0.90
 23 LYS  HN     23 LYS  HG3     4.31 #SUP  1.00
 25 LEU  HB2    26 LEU  HN      4.42 #SUP  0.99  #QF  0.99
 26 LEU  HN     26 LEU  HB2     4.09 #SUP  1.00
 26 LEU  HN     26 LEU  HG      4.29 #SUP  1.00
 11 GLY  QA     12 GLN  HN      3.06 #SUP  0.92  #QF  0.92
 12 GLN  HN     12 GLN  QG      3.96 #SUP  1.00
 12 GLN  HN     12 GLN  HB2     3.72 #SUP  0.95  #QF  0.95
 12 GLN  HN     12 GLN  HB3     3.72 #SUP  0.99  #QF  0.99
 47 GLY  HN     48 HIST HN      3.36 #SUP  0.95  #QF  0.95
 48 HIST HN     48 HIST HD2     3.38 #SUP  0.94  #QF  0.94
 46 ARG  HA     48 HIST HN      3.82 #SUP  1.00  #QF  0.95
 48 HIST HN     48 HIST HB3     3.85 #SUP  1.00
 45 HIST HA     48 HIST HN      4.82 #SUP  0.99  #QF  0.99
 48 HIST HN     48 HIST HB2     2.84 #SUP  0.92  #QF  0.92
 46 ARG  QB     48 HIST HN      4.99 #SUP  0.85  #QF  0.85
 26 LEU  HN     35 ILE  HN      4.06 #SUP  0.91  #QF  0.91
 35 ILE  HN     35 ILE  HG13    3.51 #SUP  0.93  #QF  0.93
 34 VAL  HB     35 ILE  HN      3.78 #SUP  0.98  #QF  0.98
 35 ILE  HN     35 ILE  HG12    3.59 #SUP  0.99  #QF  0.99
 33 LYS  HB2    34 VAL  HN      3.47 #SUP  0.98  #QF  0.98
 33 LYS  HA     34 VAL  HN      2.69 #SUP  0.98  #QF  0.98
 19 ARG  HN     21 GLY  HN      3.95 #SUP  0.99  #QF  0.99
 19 ARG  HN     19 ARG  HG3     4.64 #SUP  0.87  #QF  0.87
 19 ARG  HN     20 HIST HN      2.95 #SUP  0.99  #QF  0.99
 19 ARG  HN     19 ARG  HB2     3.07 #SUP  1.00
 19 ARG  HN     19 ARG  HB3     3.08 #SUP  1.00
 51 PHE  HN     51 PHE  QD      3.85 #SUP  0.99  #QF  0.99
 50 THR  HA     51 PHE  HN      2.95 #SUP  1.00
 28 CYSS HA     51 PHE  HN      4.38 #SUP  0.98  #QF  0.98
 50 THR  HB     51 PHE  HN      3.33 #SUP  0.99  #QF  0.99
 51 PHE  HN     51 PHE  HB3     4.03 #SUP  1.00
 51 PHE  HN     51 PHE  HB2     3.79 #SUP  1.00
 27 PHE  HB3    51 PHE  HN      4.13 #SUP  0.99  #QF  0.99
 50 THR  QG2    51 PHE  HN      3.95 #SUP  1.00
 16 HIS  HN     16 HIS  HB2     3.66 #SUP  0.97  #QF  0.97
 36 CYSS HN     36 CYSS HB3     3.62 #SUP  0.97  #QF  0.87
 35 ILE  HB     36 CYSS HN      3.29 #SUP  1.00
 35 ILE  QG2    36 CYSS HN      3.97 #SUP  1.00
 36 CYSS HN     39 CYSS HB3     3.64 #SUP  0.99  #QF  0.99
 42 SER  HN     45 HIST HN      4.18 #SUP  0.81  #QF  0.81
 41 ARG  HN     42 SER  HN      3.13 #SUP  0.99  #QF  0.99
 42 SER  HN     42 SER  HB3     3.59 #SUP  0.99  #QF  0.99
 39 CYSS HA     42 SER  HN      3.98 #SUP  0.98  #QF  0.98
 41 ARG  HB2    42 SER  HN      4.44 #SUP  0.97  #QF  0.97
 41 ARG  QG     42 SER  HN      4.62 #SUP  0.98  #QF  0.98
 41 ARG  HB3    42 SER  HN      4.44 #SUP  0.97  #QF  0.97
 21 GLY  HN     22 GLU  HN      3.28 #SUP  0.99  #QF  0.99
 20 HIST HB2    22 GLU  HN      3.36 #SUP  0.97  #QF  0.97
 20 HIST HB3    22 GLU  HN      3.57 #SUP  0.98  #QF  0.98
 17 CYSS HB3    22 GLU  HN      3.21 #SUP  0.98  #QF  0.98
 17 CYSS HB2    22 GLU  HN      3.96 #SUP  0.90  #QF  0.90
 22 GLU  HN     22 GLU  HB2     3.63 #SUP  0.99  #QF  0.99
 22 GLU  HN     22 GLU  HB3     3.63 #SUP  0.96  #QF  0.96
 22 GLU  HN     22 GLU  QG      3.64 #SUP  0.97  #QF  0.97
 53 THR  HB     54 SER  HN      4.07 #SUP  0.91  #QF  0.91
 20 HIST HN     21 GLY  HA1     4.49 #SUP  0.96  #QF  0.96
 20 HIST HN     20 HIST HB2     3.55 #SUP  0.98  #QF  0.98
 20 HIST HN     20 HIST HB3     3.90 #SUP  1.00
 17 CYSS HB3    20 HIST HN      3.95 #SUP  0.99  #QF  0.99
 19 ARG  HG2    20 HIST HN      3.64 #SUP  0.97  #QF  0.97
 19 ARG  HB3    20 HIST HN      3.60 #SUP  0.99  #QF  0.99
 28 CYSS HB3    33 LYS  HN      4.11 #SUP  0.98  #QF  0.98
 33 LYS  HN     33 LYS  HB3     4.06 #SUP  1.00
 33 LYS  HN     33 LYS  HB2     3.81 #SUP  1.00
 33 LYS  HN     33 LYS  HG2     4.05 #SUP  0.99  #QF  0.99
 33 LYS  HN     33 LYS  HG3     4.05 #SUP  0.98  #QF  0.98
 52 PRO  HB3    53 THR  HN      4.63 #SUP  0.96  #QF  0.96
 28 CYSS HB3    31 ASP  HN      4.88 #SUP  0.94  #QF  0.94
 52 PRO  HA     53 THR  HN      3.34 #SUP  0.88  #QF  0.88
 49 HIS  HA     50 THR  HN      2.70 #SUP  0.95  #QF  0.95
 49 HIS  QB     50 THR  HN      3.89 #SUP  0.97  #QF  0.97
 50 THR  HN     50 THR  QG2     3.28 #SUP  0.97  #QF  0.97
 31 ASP  HN     32 GLY  HN      2.91 #SUP  0.92  #QF  0.92
 27 PHE  QE     32 GLY  HN      4.36 #SUP  0.81  #QF  0.81
 32 GLY  HN     33 LYS  HN      3.18 #SUP  0.98  #QF  0.98
 29 GLN  HA     32 GLY  HN      3.74 #SUP  0.96  #QF  0.96
 32 GLY  HN     32 GLY  HA1     2.88 #SUP  0.97  #QF  0.97
 32 GLY  HN     32 GLY  HA2     2.88 #SUP  0.98  #QF  0.98
 31 ASP  HB2    32 GLY  HN      3.77 #SUP  0.97  #QF  0.97
 28 CYSS HB2    32 GLY  HN      4.75 #SUP  0.99  #QF  0.99
 40 GLU  HN     41 ARG  HN      3.86 #SUP  0.95  #QF  0.95
 38 LEU  HA     41 ARG  HN      4.09 #SUP  0.98  #QF  0.98
 40 GLU  QG     41 ARG  HN      4.06 #SUP  0.87  #QF  0.87
 41 ARG  HN     41 ARG  HB2     3.67 #SUP  0.99  #QF  0.99
 41 ARG  HN     41 ARG  QG      3.35 #SUP  0.99  #QF  0.99
 41 ARG  HN     41 ARG  HB3     3.67 #SUP  0.98  #QF  0.98
 44 GLU  HN     45 HIST HN      3.87 #SUP  0.99  #QF  0.99
 45 HIST HN     45 HIST HB2     3.72 #SUP  0.99  #QF  0.99
 45 HIST HN     45 HIST HB3     3.73 #SUP  0.99  #QF  0.99
 44 GLU  HG2    45 HIST HN      5.03 #SUP  0.98  #QF  0.98
 44 GLU  HB2    45 HIST HN      3.96 #SUP  0.98  #QF  0.98
 45 HIST HN     46 ARG  QB      4.15 #SUP  0.99  #QF  0.99
 44 GLU  HB3    45 HIST HN      3.96 #SUP  0.95  #QF  0.95
 29 GLN  HN     30 GLU  HN      3.42 #SUP  0.98  #QF  0.98
 29 GLN  HN     50 THR  HA      3.58 #SUP  0.99  #QF  0.99
 28 CYSS HA     29 GLN  HN      2.71 #SUP  0.96  #QF  0.96
 29 GLN  HN     29 GLN  HG3     3.95 #SUP  1.00
 29 GLN  HN     29 GLN  QB      2.77 #SUP  0.97  #QF  0.97
 29 GLN  HN     50 THR  QG2     3.74 #SUP  0.99  #QF  0.99
 29 GLN  HN     51 PHE  QD      4.79 #SUP  0.84  #QF  0.62
 29 GLN  HN     51 PHE  QE      5.06 #SUP  0.84  #QF  0.62
 10 GLU  HA     11 GLY  HN      3.28 #SUP  0.92  #QF  0.92
 17 CYSS HN     21 GLY  HN      4.21 #SUP  0.99  #QF  0.99
 20 HIST HN     21 GLY  HN      3.01 #SUP  0.98  #QF  0.98
 21 GLY  HN     21 GLY  HA1     2.86 #SUP  0.99  #QF  0.99
 20 HIST HB2    21 GLY  HN      3.94 #SUP  0.99  #QF  0.99
 20 HIST HB3    21 GLY  HN      4.21 #SUP  1.00
 17 CYSS HB3    21 GLY  HN      3.47 #SUP  0.99  #QF  0.99
 17 CYSS HB2    21 GLY  HN      3.82 #SUP  0.95  #QF  0.95
 27 PHE  QD     28 CYSS HN      4.48 #SUP  0.97  #QF  0.87
 28 CYSS HN     33 LYS  HN      4.71 #SUP  0.97  #QF  0.87
 28 CYSS HN     28 CYSS HB3     3.71 #SUP  0.99  #QF  0.99
 38 LEU  HN     39 CYSS HN      2.95 #SUP  0.97  #QF  0.97
 37 TRP  HA     39 CYSS HN      4.58 #SUP  0.97  #QF  0.97
 39 CYSS HN     39 CYSS HB3     3.72 #SUP  0.98  #QF  0.98
 36 CYSS HB2    39 CYSS HN      4.31 #SUP  0.87  #QF  0.87
 39 CYSS HN     39 CYSS HB2     3.72 #SUP  1.00
 35 ILE  HB     39 CYSS HN      4.47 #SUP  1.00
 35 ILE  HG13   39 CYSS HN      5.50 #SUP  0.99  #QF  0.99
 38 LEU  HB2    39 CYSS HN      3.88 #SUP  0.96  #QF  0.96
 38 LEU  HB3    39 CYSS HN      3.88 #SUP  0.98  #QF  0.98
 37 TRP  HN     38 LEU  HN      4.17 #SUP  0.98  #QF  0.98
 36 CYSS HB2    38 LEU  HN      4.40 #SUP  0.92  #QF  0.92
 38 LEU  HN     38 LEU  HB2     3.86 #SUP  0.98  #QF  0.98
 38 LEU  HN     38 LEU  HB3     3.86 #SUP  0.98  #QF  0.98
 38 LEU  HN     38 LEU  QD1     4.83 #SUP  0.98  #QF  0.98
 45 HIST HN     46 ARG  HN      2.90 #SUP  0.97  #QF  0.97
 15 ASP  HN     16 HIS  HN      3.94 #SUP  0.83  #QF  0.83
 20 HIST HN     22 GLU  HN      4.26 #SUP  0.99  #QF  0.99
 28 CYSS HB3    29 GLN  HN      4.44 #SUP  0.92  #QF  0.92
 29 GLN  HN     49 HIS  QB      4.22 #SUP  0.91  #QF  0.91
 27 PHE  QD     29 GLN  HN      4.67 #SUP  0.93  #QF  0.93
 29 GLN  HN     50 THR  HN      5.50 #SUP  0.95  #QF  0.95
 29 GLN  HN     51 PHE  HN      5.23 #SUP  0.95  #QF  0.95
 29 GLN  HN     49 HIS  HN      4.75 #SUP  0.88  #QF  0.88
 29 GLN  QB     49 HIS  HN      5.00 #SUP  0.98  #QF  0.98
 10 GLU  HB3    11 GLY  HN      4.85 #SUP  0.98  #QF  0.98
 10 GLU  HB2    11 GLY  HN      4.85 #SUP  0.98  #QF  0.98
 12 GLN  HB2    13 LYS  HN      4.61 #SUP  0.94  #QF  0.94
 12 GLN  HB3    13 LYS  HN      4.61 #SUP  1.00
 12 GLN  QG     13 LYS  HN      4.82 #SUP  0.99  #QF  0.99
 14 VAL  HN     15 ASP  QB      5.28 #SUP  0.91  #QF  0.91
 14 VAL  HB     15 ASP  HN      4.44 #SUP  0.97  #QF  0.97
 15 ASP  HN     24 LEU  QD1     5.38 #SUP  0.99  #QF  0.99
 14 VAL  QG2    16 HIS  HN      5.45 #SUP  0.99  #QF  0.96
 14 VAL  QG1    16 HIS  HN      5.50 #SUP  0.99  #QF  0.96
 14 VAL  HA     16 HIS  HN      4.72 #SUP  0.92  #QF  0.92
 17 CYSS HN     24 LEU  HB2     5.46 #SUP  0.87  #QF  0.87
 16 HIS  HD2    17 CYSS HN      5.50 #SUP  0.95  #QF  0.95
 18 ALA  HN     19 ARG  HN      4.45 #SUP  0.96  #QF  0.96
 19 ARG  HN     20 HIST HB2     4.90 #SUP  0.96  #QF  0.96
 17 CYSS HB2    19 ARG  HN      4.44 #SUP  0.80  #QF  0.80
 17 CYSS HB3    19 ARG  HN      4.41 #SUP  1.00
 16 HIS  HB3    21 GLY  HN      4.88 #SUP  0.97  #QF  0.97
 21 GLY  HN     22 GLU  QG      5.50 #SUP  0.95  #QF  0.95
 19 ARG  HG2    21 GLY  HN      5.50 #SUP  0.98  #QF  0.98
 19 ARG  HB3    21 GLY  HN      4.64 #SUP  0.91  #QF  0.91
 22 GLU  HN     38 LEU  HG      5.39 #SUP  0.99  #QF  0.99
 22 GLU  HN     24 LEU  QD2     5.38 #SUP  0.97  #QF  0.97
 16 HIS  HD2    23 LYS  HN      5.31 #SUP  0.86  #QF  0.86
 15 ASP  QB     24 LEU  HN      4.61 #SUP  1.00
 24 LEU  HN     25 LEU  HN      4.62 #SUP  1.00
 25 LEU  HN     35 ILE  HN      5.50 #SUP  0.99  #QF  0.88
 25 LEU  HN     37 TRP  HN      5.50 #SUP  0.99  #QF  0.88
 25 LEU  HN     36 CYSS HB2     5.34 #SUP  0.96  #QF  0.96
 25 LEU  HN     36 CYSS HB3     5.14 #SUP  0.97  #QF  0.97
 27 PHE  HN     51 PHE  HB2     4.59 #SUP  0.97  #QF  0.97
 27 PHE  HN     51 PHE  QD      4.73 #SUP  0.83  #QF  0.83
 27 PHE  HN     28 CYSS HN      4.82 #SUP  0.99  #QF  0.99
 28 CYSS HN     50 THR  QG2     4.33 #SUP  0.99  #QF  0.99
 30 GLU  HN     49 HIS  HN      4.35 #SUP  0.96  #QF  0.96
 30 GLU  HN     49 HIS  QB      4.91 #SUP  0.91  #QF  0.91
 31 ASP  HB3    32 GLY  HN      4.22 #SUP  0.97  #QF  0.97
 28 CYSS HB3    32 GLY  HN      4.35 #SUP  0.95  #QF  0.95
 30 GLU  HN     32 GLY  HN      4.41 #SUP  0.94  #QF  0.94
 33 LYS  HN     35 ILE  QG2     5.15 #SUP  1.00
 28 CYSS HB2    33 LYS  HN      4.51 #SUP  1.00
 31 ASP  HB2    33 LYS  HN      4.41 #SUP  1.00
 27 PHE  QE     33 LYS  HN      4.59 #SUP  0.76  #QF  0.76
 31 ASP  HN     33 LYS  HN      4.20 #SUP  0.98  #QF  0.98
 34 VAL  HN     35 ILE  HN      4.64 #SUP  0.97  #QF  0.97
 27 PHE  QE     34 VAL  HN      4.68 #SUP  0.85  #QF  0.85
 27 PHE  QD     34 VAL  HN      4.82 #SUP  0.99  #QF  0.87
 33 LYS  HN     34 VAL  HN      5.24 #SUP  0.99  #QF  0.87
 34 VAL  HN     35 ILE  QG2     4.67 #SUP  0.94  #QF  0.94
 35 ILE  HN     35 ILE  QD1     4.53 #SUP  0.94  #QF  0.94
 26 LEU  HB2    35 ILE  HN      4.57 #SUP  0.91  #QF  0.91
 35 ILE  QD1    36 CYSS HN      4.37 #SUP  0.95  #QF  0.95
 35 ILE  HG13   36 CYSS HN      4.35 #SUP  0.93  #QF  0.93
 36 CYSS HN     39 CYSS HN      4.28 #SUP  0.95  #QF  0.95
 35 ILE  HN     36 CYSS HN      5.29 #SUP  1.00  #QF  0.96
 36 CYSS HN     37 TRP  HN      5.50 #SUP  1.00  #QF  0.96
 37 TRP  HN     37 TRP  HD1     4.80 #SUP  0.97  #QF  0.57
 22 GLU  QG     38 LEU  HN      4.71 #SUP  0.92  #QF  0.92
 38 LEU  HN     38 LEU  QD2     4.83 #SUP  0.99  #QF  0.99
 35 ILE  QD1    39 CYSS HN      4.81 #SUP  0.95  #QF  0.95
 39 CYSS HN     41 ARG  HN      4.50 #SUP  0.97  #QF  0.97
 36 CYSS HA     39 CYSS HN      4.94 #SUP  0.98  #QF  0.98
 37 TRP  HN     39 CYSS HN      4.79 #SUP  0.90  #QF  0.90
 35 ILE  QD1    41 ARG  HN      5.11 #SUP  0.83  #QF  0.83
 41 ARG  HN     41 ARG  QD      4.74 #SUP  0.95  #QF  0.95
 35 ILE  QD1    42 SER  HN      5.17 #SUP  0.82  #QF  0.82
 42 SER  HN     45 HIST HB2     4.85 #SUP  0.90  #QF  0.41
 40 GLU  HA     42 SER  HN      4.32 #SUP  0.97  #QF  0.97
 45 HIST HB3    46 ARG  HN      4.45 #SUP  0.97  #QF  0.97
 46 ARG  HN     47 GLY  HN      4.67 #SUP  0.98  #QF  0.98
 46 ARG  QB     47 GLY  HN      4.49 #SUP  0.98  #QF  0.98
 48 HIST HN     50 THR  QG2     5.30 #SUP  0.92  #QF  0.92
 46 ARG  QG     48 HIST HN      4.85 #SUP  1.00
 45 HIST HB3    48 HIST HN      4.68 #SUP  0.95  #QF  0.95
 48 HIST HN     49 HIS  HN      4.84 #SUP  0.99  #QF  0.99
 46 ARG  HN     48 HIST HN      4.73 #SUP  0.98  #QF  0.98
 50 THR  HN     50 THR  HB      4.09 #SUP  0.96  #QF  0.96
 49 HIS  HN     50 THR  HN      4.51 #SUP  0.91  #QF  0.91
 50 THR  HN     51 PHE  HN      4.53 #SUP  0.97  #QF  0.97
 49 HIS  HD2    50 THR  HN      4.54 #SUP  0.74  #QF  0.74
 26 LEU  HB3    51 PHE  HN      4.57 #SUP  0.99  #QF  0.99
 27 PHE  QD     51 PHE  HN      4.91 #SUP  0.99  #QF  0.99
 53 THR  QG2    54 SER  HN      4.45 #SUP  0.94  #QF  0.94
 52 PRO  HB3    54 SER  HN      5.18 #SUP  0.64  #QF  0.64
 54 SER  HB2    55 GLY  HN      5.00 #SUP  0.88  #QF  0.75
 53 THR  QG2    55 GLY  HN      5.38 #SUP  0.78  #QF  0.78
 36 CYSS HA     38 LEU  HN      5.02 #SUP  0.93  #QF  0.93
 17 CYSS HA     19 ARG  HN      3.68 #SUP  0.95  #QF  0.95
  8 SER  QB     10 GLU  HN      5.09 #SUP  0.95  #QF  0.57
 43 GLN  HB2    44 GLU  HN      5.13 #SUP  0.98  #QF  0.98
 43 GLN  HB3    44 GLU  HN      5.13 #SUP  0.99  #QF  0.99
 39 CYSS HA     41 ARG  HN      4.76 #SUP  0.97  #QF  0.97
 35 ILE  HN     35 ILE  QG2     3.68 #SUP  1.00
 28 CYSS HN     35 ILE  QG2     4.20 #SUP  0.83  #QF  0.83
 35 ILE  QG2    45 HIST HE1     3.45 #SUP  0.99  #QF  0.99
 35 ILE  QG2    45 HIST HD2     4.55 #SUP  0.99  #QF  0.99
 34 VAL  HA     35 ILE  QG2     4.14 #SUP  0.94  #QF  0.94
 35 ILE  HA     35 ILE  QG2     3.02 #SUP  0.99  #QF  0.99
 35 ILE  QG2    39 CYSS HB3     3.95 #SUP  0.99  #QF  0.99
 28 CYSS HB3    35 ILE  QG2     4.06 #SUP  1.00
 35 ILE  QG2    39 CYSS HB2     3.95 #SUP  1.00
 28 CYSS HB2    35 ILE  QG2     3.62 #SUP  1.00
 33 LYS  HB2    35 ILE  QG2     3.98 #SUP  1.00
 27 PHE  QE     32 GLY  HA1     3.89 #SUP  0.85  #QF  0.72
 27 PHE  QE     32 GLY  HA2     3.89 #SUP  0.98  #QF  0.79
 26 LEU  HB3    50 THR  QG2     3.83 #SUP  0.98  #QF  0.60
 26 LEU  HB3    26 LEU  QD2     3.69 #SUP  1.00
 16 HIS  HB3    21 GLY  HA2     4.38 #SUP  0.93  #QF  0.93
 26 LEU  HB2    26 LEU  QD2     4.23 #SUP  0.98  #QF  0.98
 26 LEU  HB2    26 LEU  QD1     4.23 #SUP  1.00  #QF  0.99
 26 LEU  HN     26 LEU  HB3     4.13 #SUP  1.00
 26 LEU  HB3    26 LEU  QD1     3.69 #SUP  0.98  #QF  0.98
 16 HIS  HB3    21 GLY  HA1     4.16 #SUP  0.93  #QF  0.93
 11 GLY  QA     12 GLN  QG      4.52 #SUP  0.58  #QF  0.58
 25 LEU  HB3    25 LEU  QD1     3.72 #SUP  1.00
 55 GLY  QA     56 PRO  QG      3.93 #SUP  0.99  #QF  0.99
 26 LEU  HB2    35 ILE  QD1     4.39 #SUP  0.97  #QF  0.97
 28 CYSS HN     35 ILE  QD1     4.47 #SUP  0.79  #QF  0.79
 35 ILE  QD1    40 GLU  HN      4.10 #SUP  0.94  #QF  0.94
 35 ILE  QD1    45 HIST HD2     4.45 #SUP  1.00
 35 ILE  HA     35 ILE  QD1     4.40 #SUP  0.97  #QF  0.97
 35 ILE  QD1    50 THR  HB      4.25 #SUP  0.99  #QF  0.99
 35 ILE  QD1    39 CYSS HB3     3.74 #SUP  0.99  #QF  0.99
 35 ILE  QD1    40 GLU  HA      3.51 #SUP  0.99  #QF  0.99
 35 ILE  QD1    45 HIST HB2     4.37 #SUP  1.00  #QF  0.99
 35 ILE  QD1    45 HIST HB3     4.40 #SUP  0.99  #QF  0.99
 35 ILE  QD1    39 CYSS HB2     3.74 #SUP  1.00
 28 CYSS HB2    35 ILE  QD1     3.39 #SUP  0.99  #QF  0.99
 35 ILE  QD1    40 GLU  QG      3.84 #SUP  0.99  #QF  0.99
 35 ILE  HB     35 ILE  QD1     3.38 #SUP  1.00
 26 LEU  HB3    35 ILE  QD1     4.56 #SUP  0.95  #QF  0.95
 46 ARG  HN     46 ARG  QD      4.57 #SUP  1.00
 46 ARG  HA     46 ARG  QD      4.24 #SUP  0.95  #QF  0.95
 43 GLN  HA     46 ARG  QD      3.92 #SUP  0.97  #QF  0.97
 46 ARG  QB     46 ARG  QD      3.01 #SUP  0.98  #QF  0.98
 46 ARG  QG     46 ARG  QD      2.77 #SUP  0.96  #QF  0.96
 19 ARG  HD2    20 HIST HE1     4.49 #SUP  0.91  #QF  0.91
 19 ARG  HA     19 ARG  HD2     4.94 #SUP  1.00
 19 ARG  HD3    20 HIST HE1     4.49 #SUP  0.97  #QF  0.97
 19 ARG  HA     19 ARG  HD3     4.94 #SUP  0.98  #QF  0.98
 19 ARG  HB2    19 ARG  HD3     3.65 #SUP  1.00
 31 ASP  HB2    33 LYS  HD3     5.12 #SUP  1.00  #QF  0.99
 31 ASP  HB2    33 LYS  HG2     4.44 #SUP  0.99  #QF  0.99
 31 ASP  HN     31 ASP  HB3     3.88 #SUP  0.99  #QF  0.99
 31 ASP  HB3    45 HIST HE1     4.33 #SUP  1.00
 31 ASP  HB3    33 LYS  HN      4.88 #SUP  1.00
 31 ASP  HB3    33 LYS  HB3     4.97 #SUP  1.00
 31 ASP  HB3    33 LYS  HB2     5.21 #SUP  0.99  #QF  0.99
 31 ASP  HB3    33 LYS  HG3     4.34 #SUP  1.00
 31 ASP  HN     31 ASP  HB2     3.73 #SUP  1.00
 31 ASP  HB2    33 LYS  HG3     4.44 #SUP  0.99  #QF  0.99
 33 LYS  HA     33 LYS  QE      5.50 #SUP  1.00
 33 LYS  QE     35 ILE  HA      5.50 #SUP  1.00
 33 LYS  QE     45 HIST HE1     4.29 #SUP  1.00
 33 LYS  HG2    33 LYS  QE      3.52 #SUP  0.98  #QF  0.98
 33 LYS  QE     35 ILE  QG2     4.28 #SUP  1.00
 14 VAL  QG1    23 LYS  QE      3.62 #SUP  0.93  #QF  0.82
 23 LYS  HN     23 LYS  QE      5.02 #SUP  1.00
 23 LYS  QD     23 LYS  QE      2.88 #SUP  0.98  #QF  0.98
 23 LYS  HG3    23 LYS  QE      3.52 #SUP  0.99  #QF  0.99
 23 LYS  HG2    23 LYS  QE      3.52 #SUP  1.00
 33 LYS  HG3    33 LYS  QE      3.52 #SUP  0.94  #QF  0.94
 13 LYS  QD     13 LYS  QE      3.00 #SUP  0.99  #QF  0.99
 15 ASP  QB     16 HIS  HN      3.94 #SUP  0.94  #QF  0.94
 15 ASP  QB     34 VAL  HB      4.74 #SUP  0.51  #QF  0.51
 15 ASP  QB     24 LEU  HB2     4.08 #SUP  0.98  #QF  0.98
 15 ASP  QB     24 LEU  QD1     3.17 #SUP  1.00
 27 PHE  HB3    51 PHE  QD      4.74 #SUP  0.88  #QF  0.88
 27 PHE  HB3    53 THR  QG2     4.10 #SUP  1.00
 26 LEU  HB2    50 THR  HB      4.41 #SUP  0.99  #QF  0.99
 26 LEU  HB3    50 THR  HB      3.55 #SUP  0.99  #QF  0.99
 26 LEU  QD2    50 THR  HB      4.32 #SUP  1.00
 26 LEU  QD1    50 THR  HB      4.32 #SUP  0.84  #QF  0.84
 28 CYSS HA     50 THR  HB      4.61 #SUP  0.95  #QF  0.95
 20 HIST HB2    38 LEU  HB2     4.95 #SUP  0.99  #QF  0.93
 20 HIST HB3    38 LEU  HB2     4.88 #SUP  0.99  #QF  0.99
 51 PHE  HB3    52 PRO  HD3     4.13 #SUP  1.00
 27 PHE  HB3    51 PHE  HB3     5.34 #SUP  1.00
 51 PHE  HB2    52 PRO  HD2     3.79 #SUP  1.00
 27 PHE  HB3    51 PHE  HB2     4.35 #SUP  0.99  #QF  0.99
 14 VAL  QG2    24 LEU  HB2     5.50 #SUP  0.85  #QF  0.51
 24 LEU  HB3    24 LEU  QD1     3.71 #SUP  0.98  #QF  0.90
 53 THR  HN     53 THR  HB      3.76 #SUP  0.58  #QF  0.58
 27 PHE  HB2    53 THR  HB      4.60 #SUP  0.88  #QF  0.88
 44 GLU  HN     44 GLU  HG3     4.99 #SUP  0.96  #QF  0.96
 40 GLU  HN     40 GLU  QG      4.78 #SUP  1.00
 22 GLU  QG     37 TRP  HE1     4.43 #SUP  0.75  #QF  0.75
 33 LYS  HB3    33 LYS  QE      4.77 #SUP  0.96  #QF  0.96
 33 LYS  HB3    34 VAL  HN      4.02 #SUP  1.00
 33 LYS  HB3    35 ILE  QG2     5.12 #SUP  0.99  #QF  0.99
 33 LYS  HB2    33 LYS  QE      4.70 #SUP  0.99  #QF  0.99
 33 LYS  HB2    34 VAL  QG2     4.70 #SUP  0.87  #QF  0.87
 36 CYSS HB2    37 TRP  HN      4.09 #SUP  0.97  #QF  0.97
 17 CYSS HB2    36 CYSS HB2     4.33 #SUP  0.99  #QF  0.99
 17 CYSS HN     36 CYSS HB3     4.41 #SUP  0.99  #QF  0.83
 36 CYSS HB3    37 TRP  HN      4.67 #SUP  0.99  #QF  0.83
 20 HIST HB2    22 GLU  QG      4.91 #SUP  0.97  #QF  0.97
 17 CYSS HB3    20 HIST HB3     4.79 #SUP  0.96  #QF  0.96
 20 HIST HB3    22 GLU  QG      4.44 #SUP  0.97  #QF  0.97
 29 GLN  HG3    30 GLU  HN      5.01 #SUP  1.00
 29 GLN  HA     29 GLN  HG3     4.03 #SUP  0.89  #QF  0.89
 29 GLN  HN     29 GLN  HG2     3.95 #SUP  0.99  #QF  0.99
 29 GLN  HA     29 GLN  HG2     4.03 #SUP  0.99  #QF  0.99
 42 SER  HB2    44 GLU  HN      5.50 #SUP  0.95  #QF  0.86
 42 SER  HN     42 SER  HB2     3.59 #SUP  0.99  #QF  0.99
 39 CYSS HA     42 SER  HB2     3.91 #SUP  0.93  #QF  0.93
 39 CYSS HA     42 SER  HB3     3.91 #SUP  0.89  #QF  0.89
 29 GLN  HG2    30 GLU  HN      5.01 #SUP  0.80  #QF  0.80
 29 GLN  HG2    51 PHE  QD      5.18 #SUP  0.87  #QF  0.44
 29 GLN  HG2    49 HIS  QB      4.67 #SUP  0.95  #QF  0.95
 23 LYS  HB2    24 LEU  HN      4.74 #SUP  0.96  #QF  0.96
 23 LYS  HB2    25 LEU  HG      3.84 #SUP  0.99  #QF  0.99
 23 LYS  HB2    25 LEU  QD1     4.69 #SUP  0.98  #QF  0.98
 14 VAL  QG1    23 LYS  HB2     4.49 #SUP  0.81  #QF  0.36
 23 LYS  HB2    25 LEU  QD2     4.69 #SUP  0.81  #QF  0.36
 23 LYS  HB3    24 LEU  HN      4.74 #SUP  0.99  #QF  0.99
 23 LYS  HB3    25 LEU  HG      3.84 #SUP  0.96  #QF  0.96
 23 LYS  HB3    25 LEU  QD1     4.69 #SUP  0.98  #QF  0.98
 14 VAL  QG1    23 LYS  HB3     4.49 #SUP  0.99  #QF  0.69
 35 ILE  HB     39 CYSS HA      4.61 #SUP  1.00
 35 ILE  QG2    39 CYSS HA      5.50 #SUP  1.00  #QF  0.83
 43 GLN  HG2    46 ARG  QB      5.10 #SUP  0.98  #QF  0.98
 43 GLN  HA     43 GLN  HG3     3.98 #SUP  1.00
 39 CYSS HA     45 HIST HD2     4.39 #SUP  0.94  #QF  0.94
 14 VAL  HN     14 VAL  HB      3.42 #SUP  0.99  #QF  0.99
 54 SER  HB3    55 GLY  HN      5.00 #SUP  0.99  #QF  0.99
 13 LYS  HB3    14 VAL  HN      4.51 #SUP  1.00
 45 HIST HB3    48 HIST HB2     4.78 #SUP  0.96  #QF  0.96
 16 HIS  HB2    17 CYSS HN      4.45 #SUP  1.00
 16 HIS  HB2    21 GLY  HA1     4.59 #SUP  0.98  #QF  0.98
 22 GLU  HB2    37 TRP  HN      4.80 #SUP  0.98  #QF  0.91
 34 VAL  HN     34 VAL  HB      3.59 #SUP  0.98  #QF  0.98
 27 PHE  HA     34 VAL  HB      4.73 #SUP  0.97  #QF  0.47
 34 VAL  HB     35 ILE  HA      5.11 #SUP  0.97  #QF  0.47
 24 LEU  HA     34 VAL  HB      4.86 #SUP  0.90  #QF  0.90
 24 LEU  HB2    34 VAL  HB      4.08 #SUP  1.00
 24 LEU  HB3    34 VAL  HB      3.54 #SUP  0.94  #QF  0.94
 24 LEU  QD1    34 VAL  HB      4.19 #SUP  0.98  #QF  0.62
 22 GLU  HB3    37 TRP  HN      4.80 #SUP  0.97  #QF  0.55
 52 PRO  HA     53 THR  HA      4.67 #SUP  0.84  #QF  0.84
 27 PHE  HB2    53 THR  HA      4.57 #SUP  0.93  #QF  0.93
 14 VAL  HA     15 ASP  HN      2.77 #SUP  0.96  #QF  0.96
 14 VAL  HA     15 ASP  HA      4.58 #SUP  0.84  #QF  0.84
 14 VAL  HA     15 ASP  QB      4.30 #SUP  1.00
 14 VAL  HA     14 VAL  QG2     2.84 #SUP  0.92  #QF  0.92
 19 ARG  HB2    20 HIST HN      4.05 #SUP  1.00
 18 ALA  QB     19 ARG  HB3     5.11 #SUP  0.96  #QF  0.96
 29 GLN  QB     30 GLU  HA      4.56 #SUP  0.95  #QF  0.95
 30 GLU  HA     30 GLU  QG      2.83 #SUP  0.96  #QF  0.96
 39 CYSS HA     45 HIST HB2     4.71 #SUP  0.83  #QF  0.83
 45 HIST HB3    48 HIST HB3     4.79 #SUP  0.97  #QF  0.97
 39 CYSS HB3    40 GLU  HN      4.26 #SUP  0.86  #QF  0.86
 35 ILE  HB     39 CYSS HB3     3.43 #SUP  0.99  #QF  0.99
 35 ILE  HA     39 CYSS HB3     4.73 #SUP  0.96  #QF  0.96
 35 ILE  HG13   39 CYSS HB3     4.77 #SUP  0.97  #QF  0.97
 39 CYSS HB2    40 GLU  HN      4.26 #SUP  0.87  #QF  0.87
 36 CYSS HN     39 CYSS HB2     3.64 #SUP  0.99  #QF  0.99
 35 ILE  HA     39 CYSS HB2     4.73 #SUP  1.00
 35 ILE  HB     39 CYSS HB2     3.43 #SUP  1.00
 35 ILE  HG13   39 CYSS HB2     4.77 #SUP  0.99  #QF  0.99
 17 CYSS HB3    20 HIST HB2     3.89 #SUP  0.98  #QF  0.98
 17 CYSS HB3    36 CYSS HB3     3.94 #SUP  0.99  #QF  0.99
 17 CYSS HB3    24 LEU  HG      4.81 #SUP  0.99  #QF  0.99
 17 CYSS HB3    24 LEU  QD2     3.67 #SUP  0.98  #QF  0.98
 17 CYSS HB2    20 HIST HN      4.55 #SUP  0.94  #QF  0.94
 17 CYSS HB2    20 HIST HB2     4.51 #SUP  1.00  #QF  0.97
 17 CYSS HB2    36 CYSS HB3     3.55 #SUP  0.99  #QF  0.99
 29 GLN  QB     49 HIS  QB      3.55 #SUP  0.89  #QF  0.89
 29 GLN  QB     51 PHE  QE      3.72 #SUP  0.92  #QF  0.33
 28 CYSS HA     29 GLN  QB      4.35 #SUP  0.98  #QF  0.98
 14 VAL  QG1    23 LYS  QD      3.88 #SUP  0.74  #QF  0.66
 33 LYS  HD3    45 HIST HE1     4.40 #SUP  0.97  #QF  0.97
 33 LYS  HD3    35 ILE  HA      5.50 #SUP  0.99  #QF  0.99
 31 ASP  HB3    33 LYS  HD3     4.66 #SUP  1.00
 33 LYS  HD2    45 HIST HE1     4.40 #SUP  0.98  #QF  0.98
 33 LYS  HD2    35 ILE  HA      5.50 #SUP  0.99  #QF  0.99
 31 ASP  HB3    33 LYS  HD2     4.66 #SUP  1.00
 37 TRP  HA     40 GLU  HN      4.42 #SUP  0.90  #QF  0.90
 37 TRP  HA     40 GLU  HB2     4.22 #SUP  0.97  #QF  0.97
 37 TRP  HA     37 TRP  HE3     4.74 #SUP  0.97  #QF  0.97
 37 TRP  HA     40 GLU  QG      4.58 #SUP  1.00
 37 TRP  HA     40 GLU  HB3     4.22 #SUP  0.96  #QF  0.96
 13 LYS  HA     13 LYS  QD      4.46 #SUP  0.97  #QF  0.97
 28 CYSS HB3    31 ASP  HB2     3.87 #SUP  0.96  #QF  0.96
 28 CYSS HB3    50 THR  QG2     4.32 #SUP  1.00
 28 CYSS HB3    35 ILE  QD1     4.38 #SUP  1.00
 28 CYSS HB2    29 GLN  HN      4.71 #SUP  0.98  #QF  0.98
 28 CYSS HN     28 CYSS HB2     3.61 #SUP  0.99  #QF  0.99
 28 CYSS HB2    31 ASP  HB2     4.03 #SUP  0.99  #QF  0.99
 28 CYSS HB2    35 ILE  HG12    4.26 #SUP  0.99  #QF  0.99
 40 GLU  HA     45 HIST HN      5.17 #SUP  0.98  #QF  0.91
 40 GLU  HA     45 HIST HD2     5.50 #SUP  0.98  #QF  0.91
 40 GLU  HA     45 HIST HB2     4.12 #SUP  0.99  #QF  0.99
 40 GLU  HA     45 HIST HB3     3.84 #SUP  0.96  #QF  0.96
 40 GLU  HA     40 GLU  QG      3.41 #SUP  0.99  #QF  0.99
 35 ILE  HG13   40 GLU  HA      4.96 #SUP  1.00  #QF  0.96
 27 PHE  QD     29 GLN  HA      3.85 #SUP  0.86  #QF  0.86
 16 HIS  HB3    17 CYSS HA      5.47 #SUP  1.00  #QF  0.99
 17 CYSS HA     36 CYSS HB3     5.50 #SUP  1.00  #QF  0.99
 17 CYSS HA     18 ALA  QB      4.32 #SUP  0.92  #QF  0.92
 17 CYSS HA     24 LEU  HG      4.02 #SUP  0.99  #QF  0.99
 17 CYSS HA     24 LEU  QD1     2.93 #SUP  0.65  #QF  0.65
 27 PHE  QE     29 GLN  HA      3.31 #SUP  0.88  #QF  0.88
 28 CYSS HA     29 GLN  HA      4.55 #SUP  0.99  #QF  0.99
 29 GLN  HA     29 GLN  QB      2.88 #SUP  0.96  #QF  0.96
 44 GLU  HA     44 GLU  HG3     3.86 #SUP  1.00
 44 GLU  HA     44 GLU  HG2     3.86 #SUP  1.00
 30 GLU  HB2    31 ASP  HN      4.19 #SUP  0.99  #QF  0.99
 30 GLU  HB3    31 ASP  HN      4.19 #SUP  0.98  #QF  0.98
 43 GLN  HA     43 GLN  HG2     3.98 #SUP  0.98  #QF  0.84
 43 GLN  HA     46 ARG  QB      3.10 #SUP  0.97  #QF  0.97
 46 ARG  HA     47 GLY  HN      3.00 #SUP  0.93  #QF  0.93
 45 HIST HN     46 ARG  HA      4.84 #SUP  0.97  #QF  0.97
 46 ARG  HA     46 ARG  QB      2.89 #SUP  0.99  #QF  0.99
 46 ARG  HA     46 ARG  QG      3.52 #SUP  1.00
 23 LYS  HA     24 LEU  HG      4.32 #SUP  0.78  #QF  0.78
 23 LYS  HA     24 LEU  QD2     5.50 #SUP  0.98  #QF  0.87
 16 HIS  HB3    23 LYS  HA      5.08 #SUP  0.91  #QF  0.75
 23 LYS  HA     23 LYS  HG3     3.89 #SUP  0.97  #QF  0.97
 23 LYS  HA     23 LYS  HG2     3.89 #SUP  1.00
 14 VAL  QG1    23 LYS  HA      4.35 #SUP  0.76  #QF  0.76
 18 ALA  QB     19 ARG  HA      4.14 #SUP  0.96  #QF  0.96
 19 ARG  HA     19 ARG  HB2     2.97 #SUP  1.00
 19 ARG  HA     19 ARG  HG3     3.48 #SUP  0.99  #QF  0.99
 46 ARG  QG     47 GLY  HN      4.17 #SUP  0.99  #QF  0.99
 46 ARG  QB     46 ARG  QG      2.40 #SUP  0.92  #QF  0.92
 19 ARG  HA     19 ARG  HG2     3.67 #SUP  1.00
 19 ARG  HN     19 ARG  HG2     4.42 #SUP  1.00
 19 ARG  HG3    20 HIST HN      4.64 #SUP  0.99  #QF  0.99
 23 LYS  HN     23 LYS  HG2     4.31 #SUP  0.99  #QF  0.99
 15 ASP  QB     24 LEU  HG      4.56 #SUP  0.98  #QF  0.98
 23 LYS  HG2    24 LEU  HN      5.09 #SUP  1.00
 23 LYS  HA     24 LEU  QD1     4.95 #SUP  1.00
 25 LEU  HB2    25 LEU  QD1     3.66 #SUP  0.92  #QF  0.63
 17 CYSS HN     24 LEU  QD1     3.88 #SUP  0.99  #QF  0.99
 16 HIS  HN     24 LEU  QD1     4.24 #SUP  0.99  #QF  0.99
 24 LEU  HN     24 LEU  QD1     3.51 #SUP  0.99  #QF  0.99
 24 LEU  HA     24 LEU  QD1     4.02 #SUP  0.99  #QF  0.99
 17 CYSS HB2    24 LEU  QD1     4.23 #SUP  0.99  #QF  0.99
 38 LEU  HA     41 ARG  QG      4.50 #SUP  1.00
 38 LEU  HA     41 ARG  HB3     4.88 #SUP  0.98  #QF  0.98
 38 LEU  HA     38 LEU  QD2     4.21 #SUP  0.99  #QF  0.99
 38 LEU  HA     38 LEU  QD1     4.21 #SUP  1.00
 10 GLU  HA     10 GLU  QG      3.79 #SUP  1.00
 26 LEU  QD1    50 THR  QG2     4.76 #SUP  0.99  #QF  0.90
 38 LEU  HN     38 LEU  HG      4.76 #SUP  1.00
 20 HIST HB2    38 LEU  HG      4.07 #SUP  0.98  #QF  0.98
 20 HIST HB3    38 LEU  HG      3.53 #SUP  1.00
 22 GLU  QG     38 LEU  HG      3.72 #SUP  0.96  #QF  0.96
 13 LYS  HA     13 LYS  HG3     3.86 #SUP  0.99  #QF  0.99
 13 LYS  HA     14 VAL  HB      5.05 #SUP  0.99  #QF  0.99
 13 LYS  HA     14 VAL  QG1     3.97 #SUP  0.99  #QF  0.99
 26 LEU  HB2    35 ILE  HG13    3.93 #SUP  0.99  #QF  0.99
 26 LEU  HB3    35 ILE  HG13    4.14 #SUP  0.99  #QF  0.99
 26 LEU  HB2    35 ILE  HG12    4.24 #SUP  0.99  #QF  0.99
 26 LEU  HB3    35 ILE  HG12    4.35 #SUP  1.00
 35 ILE  QG2    35 ILE  HG12    3.74 #SUP  0.99  #QF  0.99
 13 LYS  HG3    13 LYS  QD      3.01 #SUP  0.96  #QF  0.96
 12 GLN  HA     12 GLN  QG      3.43 #SUP  1.00
 41 ARG  HA     41 ARG  QD      4.50 #SUP  0.99  #QF  0.99
 40 GLU  QG     41 ARG  HA      4.55 #SUP  0.88  #QF  0.88
 41 ARG  HA     41 ARG  QG      3.51 #SUP  1.00
 34 VAL  QG1    35 ILE  HN      3.77 #SUP  0.99  #QF  0.99
 26 LEU  HN     34 VAL  QG1     4.04 #SUP  0.96  #QF  0.96
 28 CYSS HN     34 VAL  QG1     4.55 #SUP  0.95  #QF  0.95
 34 VAL  HN     34 VAL  QG1     3.52 #SUP  0.97  #QF  0.97
 27 PHE  QE     34 VAL  QG1     4.29 #SUP  0.89  #QF  0.89
 25 LEU  HN     34 VAL  QG1     5.18 #SUP  0.98  #QF  0.98
 27 PHE  QD     34 VAL  QG1     3.36 #SUP  0.90  #QF  0.90
 34 VAL  HA     34 VAL  QG1     3.16 #SUP  0.99  #QF  0.99
 27 PHE  HA     34 VAL  QG1     3.47 #SUP  0.87  #QF  0.87
 34 VAL  QG1    53 THR  HB      4.70 #SUP  0.44  #QF  0.44
 27 PHE  HB2    34 VAL  QG1     4.12 #SUP  0.96  #QF  0.96
 24 LEU  HN     24 LEU  QD2     4.14 #SUP  0.99  #QF  0.99
 17 CYSS HN     24 LEU  QD2     4.03 #SUP  0.99  #QF  0.96
 24 LEU  QD2    35 ILE  HN      4.33 #SUP  0.99  #QF  0.96
 24 LEU  QD2    36 CYSS HN      3.80 #SUP  1.00
 24 LEU  QD2    25 LEU  HN      4.09 #SUP  1.00
 17 CYSS HA     24 LEU  QD2     3.23 #SUP  0.95  #QF  0.95
 24 LEU  QD2    36 CYSS HB2     4.19 #SUP  0.99  #QF  0.99
 17 CYSS HB2    24 LEU  QD2     3.27 #SUP  0.99  #QF  0.99
 24 LEU  QD2    36 CYSS HB3     3.49 #SUP  0.99  #QF  0.99
 24 LEU  QD2    34 VAL  HB      4.19 #SUP  0.95  #QF  0.95
 24 LEU  QD2    35 ILE  HB      4.53 #SUP  1.00
 26 LEU  QD2    37 TRP  HZ3     5.06 #SUP  0.94  #QF  0.94
 24 LEU  HA     34 VAL  QG1     5.05 #SUP  0.99  #QF  0.99
 23 LYS  QE     25 LEU  QD2     5.47 #SUP  0.82  #QF  0.82
 25 LEU  HB3    25 LEU  QD2     3.72 #SUP  0.98  #QF  0.98
 17 CYSS HN     24 LEU  HA      5.50 #SUP  1.00  #QF  0.78
 24 LEU  HA     35 ILE  HN      5.50 #SUP  1.00  #QF  0.78
 24 LEU  HA     37 TRP  HN      5.50 #SUP  1.00  #QF  0.78
 24 LEU  HA     26 LEU  HN      4.12 #SUP  0.99  #QF  0.99
 24 LEU  HA     36 CYSS HB3     4.28 #SUP  1.00
 24 LEU  HA     24 LEU  HG      3.71 #SUP  0.99  #QF  0.99
 24 LEU  HA     24 LEU  QD2     3.01 #SUP  0.99  #QF  0.99
 53 THR  HN     53 THR  QG2     3.14 #SUP  0.94  #QF  0.94
 27 PHE  QE     53 THR  QG2     4.80 #SUP  0.82  #QF  0.82
 27 PHE  QD     53 THR  QG2     4.07 #SUP  0.98  #QF  0.98
 26 LEU  HA     53 THR  QG2     3.71 #SUP  0.83  #QF  0.83
 25 LEU  HA     53 THR  QG2     3.66 #SUP  0.92  #QF  0.92
 27 PHE  HB2    53 THR  QG2     3.33 #SUP  0.96  #QF  0.96
 34 VAL  HB     53 THR  QG2     4.41 #SUP  0.30  #QF  0.30
 28 CYSS HA     50 THR  QG2     3.19 #SUP  1.00
 48 HIST HB3    50 THR  QG2     4.12 #SUP  0.96  #QF  0.96
 48 HIST HB2    50 THR  QG2     3.90 #SUP  0.87  #QF  0.87
 40 GLU  QG     50 THR  QG2     3.46 #SUP  0.93  #QF  0.93
 35 ILE  HG12   50 THR  QG2     3.85 #SUP  0.99  #QF  0.73
 35 ILE  QD1    50 THR  QG2     3.19 #SUP  0.99  #QF  0.99
 40 GLU  HA     50 THR  QG2     4.60 #SUP  0.97  #QF  0.97
 28 CYSS HB2    50 THR  QG2     3.56 #SUP  1.00
 26 LEU  QD2    50 THR  QG2     4.76 #SUP  0.99  #QF  0.99
 35 ILE  QG2    50 THR  QG2     4.41 #SUP  0.99  #QF  0.99
 14 VAL  QG2    24 LEU  HN      4.96 #SUP  0.88  #QF  0.88
 14 VAL  QG2    23 LYS  QE      4.55 #SUP  0.72  #QF  0.72
 14 VAL  QG2    15 ASP  QB      4.17 #SUP  0.98  #QF  0.98
 14 VAL  QG2    23 LYS  HA      5.25 #SUP  0.95  #QF  0.95
 34 VAL  QG2    35 ILE  HN      4.46 #SUP  1.00
 34 VAL  HN     34 VAL  QG2     2.93 #SUP  0.98  #QF  0.98
 27 PHE  QE     34 VAL  QG2     4.55 #SUP  0.92  #QF  0.92
 27 PHE  QD     34 VAL  QG2     4.15 #SUP  0.90  #QF  0.90
 34 VAL  HA     34 VAL  QG2     3.32 #SUP  0.98  #QF  0.98
 33 LYS  HA     34 VAL  QG2     3.80 #SUP  0.99  #QF  0.99
 24 LEU  HA     34 VAL  QG2     5.46 #SUP  1.00
 14 VAL  QG1    15 ASP  HN      4.41 #SUP  1.00
 14 VAL  HA     14 VAL  QG1     3.30 #SUP  0.98  #QF  0.98
 14 VAL  QG1    15 ASP  QB      4.36 #SUP  0.92  #QF  0.92
 51 PHE  HB2    52 PRO  HD3     4.87 #SUP  0.99  #QF  0.99
 51 PHE  HB3    52 PRO  HD2     3.62 #SUP  1.00
 55 GLY  QA     56 PRO  HD3     2.79 #SUP  0.88  #QF  0.88
 18 ALA  HN     18 ALA  QB      3.85 #SUP  0.98  #QF  0.98
 18 ALA  QB     19 ARG  HN      3.31 #SUP  1.00
 18 ALA  QB     19 ARG  HB2     4.54 #SUP  0.92  #QF  0.92
 31 ASP  HB2    45 HIST HE1     4.11 #SUP  0.98  #QF  0.98
 20 HIST HE1    39 CYSS HN      4.36 #SUP  0.95  #QF  0.95
 20 HIST HE1    39 CYSS HA      3.07 #SUP  0.99  #QF  0.99
 19 ARG  HG2    20 HIST HE1     4.52 #SUP  0.97  #QF  0.27
 27 PHE  QD     51 PHE  QD      4.13 #SUP  0.94  #QF  0.94
 51 PHE  QD     52 PRO  HD2     4.45 #SUP  1.00
 29 GLN  QB     51 PHE  QD      4.30 #SUP  0.80  #QF  0.80
 49 HIS  QB     51 PHE  QE      4.30 #SUP  0.90  #QF  0.79
 49 HIS  QB     51 PHE  HZ      4.78 #SUP  0.90  #QF  0.79
 27 PHE  QE     33 LYS  HA      4.98 #SUP  0.94  #QF  0.94
 27 PHE  QD     27 PHE  HZ      3.95 #SUP  0.94  #QF  0.94
 27 PHE  HZ     32 GLY  HA2     4.21 #SUP  0.97  #QF  0.97
 27 PHE  HZ     29 GLN  HA      5.50 #SUP  0.97  #QF  0.97
 42 SER  HB2    45 HIST HD2     5.50 #SUP  0.94  #QF  0.94
 44 GLU  HB3    45 HIST HD2     4.77 #SUP  0.90  #QF  0.90
 44 GLU  HB2    45 HIST HD2     4.77 #SUP  0.91  #QF  0.91
 50 THR  HA     51 PHE  QD      4.41 #SUP  0.99  #QF  0.97
 28 CYSS HA     50 THR  HA      3.21 #SUP  0.98  #QF  0.98
 50 THR  HA     50 THR  QG2     3.24 #SUP  1.00
 35 ILE  HB     45 HIST HD2     4.87 #SUP  0.93  #QF  0.91
 20 HIST HD2    38 LEU  HG      4.27 #SUP  0.95  #QF  0.95
 26 LEU  HN     36 CYSS HA      4.49 #SUP  0.88  #QF  0.88
 36 CYSS HA     37 TRP  HN      3.46 #SUP  0.99  #QF  0.99
 25 LEU  HN     36 CYSS HA      3.69 #SUP  0.99  #QF  0.99
 24 LEU  HA     36 CYSS HA      3.67 #SUP  0.99  #QF  0.99
 17 CYSS HB2    36 CYSS HA      5.18 #SUP  0.88  #QF  0.88
 24 LEU  QD2    36 CYSS HA      4.05 #SUP  0.99  #QF  0.99
 51 PHE  HA     51 PHE  QD      3.85 #SUP  0.99  #QF  0.99
 51 PHE  HA     52 PRO  HD3     2.87 #SUP  0.99  #QF  0.99
 51 PHE  HA     52 PRO  HD2     2.91 #SUP  0.99  #QF  0.99
 51 PHE  HA     52 PRO  QG      4.60 #SUP  0.98  #QF  0.98
 51 PHE  HA     52 PRO  HB3     4.93 #SUP  0.92  #QF  0.92
 48 HIST HD2    49 HIS  HN      5.14 #SUP  1.00
 30 GLU  QG     48 HIST HD2     4.25 #SUP  0.97  #QF  0.97
 26 LEU  HA     53 THR  HN      4.22 #SUP  0.95  #QF  0.82
 26 LEU  HA     26 LEU  HG      4.18 #SUP  0.94  #QF  0.94
 22 GLU  QG     37 TRP  HZ2     5.50 #SUP  0.82  #QF  0.82
 25 LEU  HB2    37 TRP  HZ2     4.45 #SUP  0.95  #QF  0.95
 35 ILE  QG2    35 ILE  HG13    3.37 #SUP  1.00
 35 ILE  QG2    35 ILE  QD1     2.87 #SUP  1.00
 33 LYS  HA     33 LYS  HG3     4.21 #SUP  0.77  #QF  0.77
 33 LYS  HA     33 LYS  HG2     4.21 #SUP  0.97  #QF  0.97
 15 ASP  HA     15 ASP  QB      2.85 #SUP  0.97  #QF  0.97
 24 LEU  HB2    34 VAL  QG1     4.41 #SUP  0.98  #QF  0.98
 24 LEU  HB2    24 LEU  QD2     3.60 #SUP  1.00
 24 LEU  HB3    24 LEU  QD2     3.22 #SUP  0.99  #QF  0.99
 24 LEU  HB2    34 VAL  QG2     3.73 #SUP  0.97  #QF  0.97
 24 LEU  QD1    34 VAL  QG2     2.93 #SUP  0.52  #QF  0.52
 15 ASP  HA     16 HIS  HN      3.20 #SUP  0.94  #QF  0.94
 15 ASP  HA     24 LEU  QD1     3.75 #SUP  0.98  #QF  0.98
 16 HIS  HD2    23 LYS  HA      5.29 #SUP  0.99  #QF  0.99
 17 CYSS HB2    24 LEU  HG      4.64 #SUP  0.97  #QF  0.97
 18 ALA  HA     21 GLY  HN      4.53 #SUP  0.89  #QF  0.89
 19 ARG  HB2    19 ARG  HD2     3.65 #SUP  1.00  #QF  0.98
 20 HIST HA     20 HIST HD2     3.39 #SUP  0.73  #QF  0.73
 24 LEU  HB2    24 LEU  QD1     2.98 #SUP  0.98  #QF  0.98
 25 LEU  HA     25 LEU  HG      3.62 #SUP  1.00
 25 LEU  HB3    26 LEU  HN      4.90 #SUP  0.72  #QF  0.72
 23 LYS  HB3    25 LEU  QD2     4.69 #SUP  0.94  #QF  0.87
 25 LEU  HB2    25 LEU  QD2     3.66 #SUP  0.94  #QF  0.87
 26 LEU  QD2    37 TRP  HH2     4.99 #SUP  0.93  #QF  0.93
 27 PHE  HA     35 ILE  HN      3.86 #SUP  0.89  #QF  0.89
 27 PHE  HA     28 CYSS HN      3.03 #SUP  0.97  #QF  0.97
 27 PHE  HA     27 PHE  QD      3.50 #SUP  0.97  #QF  0.97
 27 PHE  HA     34 VAL  HA      3.01 #SUP  0.98  #QF  0.98
 27 PHE  HA     34 VAL  QG2     4.93 #SUP  0.86  #QF  0.54
 27 PHE  HA     50 THR  QG2     5.33 #SUP  0.86  #QF  0.54
 27 PHE  HB2    51 PHE  HB2     5.22 #SUP  1.00
 27 PHE  HB2    51 PHE  QD      5.50 #SUP  0.92  #QF  0.92
 26 LEU  HA     27 PHE  HB2     5.31 #SUP  0.80  #QF  0.65
 27 PHE  HB2    34 VAL  HA      5.50 #SUP  0.80  #QF  0.65
 26 LEU  HA     27 PHE  HB3     5.01 #SUP  0.71  #QF  0.71
 27 PHE  HB2    51 PHE  HN      5.07 #SUP  0.95  #QF  0.95
 27 PHE  HB2    28 CYSS HN      5.17 #SUP  1.00
 27 PHE  QD     51 PHE  HB2     5.05 #SUP  0.97  #QF  0.97
 27 PHE  HZ     32 GLY  HA1     4.21 #SUP  0.98  #QF  0.98
 28 CYSS HA     35 ILE  QD1     4.64 #SUP  0.79  #QF  0.79
 30 GLU  QG     31 ASP  HN      5.14 #SUP  0.99  #QF  0.98
 28 CYSS HB2    31 ASP  HB3     5.50 #SUP  0.97  #QF  0.97
 31 ASP  HN     33 LYS  HG2     5.50 #SUP  0.97  #QF  0.54
 33 LYS  HG2    34 VAL  HN      5.50 #SUP  0.97  #QF  0.54
 31 ASP  HN     33 LYS  HG3     5.50 #SUP  0.99  #QF  0.76
 33 LYS  HG3    34 VAL  HN      5.50 #SUP  0.99  #QF  0.76
 34 VAL  HA     35 ILE  HN      2.99 #SUP  0.97  #QF  0.97
 28 CYSS HN     34 VAL  HA      3.98 #SUP  0.91  #QF  0.91
 27 PHE  QD     34 VAL  HA      4.13 #SUP  0.97  #QF  0.97
 35 ILE  HA     36 CYSS HN      3.20 #SUP  0.98  #QF  0.98
 24 LEU  QD2    35 ILE  HA      3.07 #SUP  0.94  #QF  0.94
 35 ILE  HG12   36 CYSS HN      5.17 #SUP  0.98  #QF  0.98
 24 LEU  HA     36 CYSS HB2     5.08 #SUP  0.98  #QF  0.98
 25 LEU  HB3    37 TRP  HZ2     5.45 #SUP  0.99  #QF  0.99
 25 LEU  HG     37 TRP  HH2     5.47 #SUP  1.00  #QF  0.96
 38 LEU  HA     41 ARG  HB2     4.88 #SUP  0.85  #QF  0.85
 20 HIST HB2    38 LEU  HB3     4.95 #SUP  0.91  #QF  0.91
 20 HIST HB3    38 LEU  HB3     4.88 #SUP  0.99  #QF  0.99
 35 ILE  QD1    39 CYSS HA      5.15 #SUP  0.97  #QF  0.97
 42 SER  HB3    44 GLU  HN      5.50 #SUP  0.96  #QF  0.89
 20 HIST HE1    42 SER  HB3     5.17 #SUP  0.85  #QF  0.85
 43 GLN  HG3    46 ARG  QB      5.10 #SUP  0.98  #QF  0.98
 43 GLN  HN     43 GLN  HG2     5.29 #SUP  0.98  #QF  0.96
 43 GLN  HN     43 GLN  HG3     5.29 #SUP  0.99  #QF  0.98
 44 GLU  HN     44 GLU  HG2     4.99 #SUP  0.98  #QF  0.98
 44 GLU  HG3    45 HIST HN      5.03 #SUP  0.98  #QF  0.98
 35 ILE  HG13   45 HIST HB2     5.50 #SUP  0.85  #QF  0.24
 45 HIST HB2    50 THR  QG2     5.50 #SUP  0.85  #QF  0.24
 28 CYSS HB3    45 HIST HE1     5.06 #SUP  0.97  #QF  0.97
 45 HIST HN     46 ARG  QG      5.50 #SUP  0.89  #QF  0.89
 46 ARG  QD     47 GLY  HN      4.88 #SUP  0.98  #QF  0.98
 48 HIST HA     48 HIST HD2     3.13 #SUP  0.96  #QF  0.96
 48 HIST HA     49 HIS  HN      3.04 #SUP  0.94  #QF  0.94
 30 GLU  QG     48 HIST HA      4.35 #SUP  0.92  #QF  0.92
 30 GLU  HN     48 HIST HB2     5.50 #SUP  0.78  #QF  0.78
 14 VAL  QG1    16 HIS  HE1     4.76 #SUP  0.72  #QF  0.37
 16 HIS  HE1    23 LYS  HG2     5.04 #SUP  0.96  #QF  0.96
 16 HIS  HE1    23 LYS  HG3     5.04 #SUP  0.97  #QF  0.97
 16 HIS  HE1    23 LYS  QE      4.71 #SUP  0.94  #QF  0.94
 20 HIST HE1    42 SER  HB2     5.17 #SUP  0.99  #QF  0.99
 20 HIST HE1    39 CYSS HB3     5.17 #SUP  0.77  #QF  0.77
 20 HIST HE1    39 CYSS HB2     5.17 #SUP  0.99  #QF  0.99
 19 ARG  HB3    20 HIST HE1     5.10 #SUP  0.96  #QF  0.96
 20 HIST HE1    38 LEU  HB2     5.29 #SUP  0.97  #QF  0.97
 20 HIST HE1    38 LEU  HB3     5.29 #SUP  0.99  #QF  0.99
 50 THR  HA     51 PHE  HA      4.60 #SUP  1.00
 49 HIS  QB     50 THR  HA      4.91 #SUP  0.98  #QF  0.98
 50 THR  HA     51 PHE  HB2     5.14 #SUP  1.00
 29 GLN  QB     50 THR  HA      4.85 #SUP  0.99  #QF  0.99
 26 LEU  HB3    50 THR  HA      4.92 #SUP  0.98  #QF  0.98
 29 GLN  HG3    51 PHE  QD      5.18 #SUP  0.76  #QF  0.52
 51 PHE  QD     52 PRO  HD3     5.31 #SUP  0.94  #QF  0.94
 55 GLY  QA     56 PRO  HD2     2.79 #SUP  0.73  #QF  0.48
 19 ARG  HG2    20 HIST HD2     5.30 #SUP  0.91  #QF  0.91
 19 ARG  HG3    20 HIST HD2     5.50 #SUP  0.90  #QF  0.90
 30 GLU  QG     49 HIS  HN      5.31 #SUP  0.94  #QF  0.94
 26 LEU  QD1    37 TRP  HZ3     5.06 #SUP  0.88  #QF  0.88
 26 LEU  QD1    37 TRP  HH2     4.99 #SUP  0.95  #QF  0.95
 53 THR  QG2    55 GLY  QA      5.50 #SUP  0.70  #QF  0.70
 19 ARG  HN     19 ARG  HD3     5.40 #SUP  0.98  #QF  0.98
 19 ARG  HN     19 ARG  HD2     5.40 #SUP  0.98  #QF  0.98
 53 THR  HA     53 THR  QG2     3.22 #SUP  0.99  #QF  0.99
 29 GLN  HG3    49 HIS  QB      4.67 #SUP  0.95  #QF  0.95
 13 LYS  HG2    13 LYS  QD      3.01 #SUP  0.97  #QF  0.97
 23 LYS  HB2    23 LYS  QE      5.18 #SUP  1.00
 23 LYS  HB3    23 LYS  QE      5.18 #SUP  0.99  #QF  0.99
 23 LYS  HG3    24 LEU  HN      5.09 #SUP  0.99  #QF  0.99
 35 ILE  QD1    45 HIST HE1     5.02 #SUP  0.82  #QF  0.82
 45 HIST HA     48 HIST HE1     3.89 #SUP  0.90  #QF  0.90
 30 GLU  HB2    48 HIST HE1     5.09 #SUP  0.88  #QF  0.88
 30 GLU  HB3    48 HIST HE1     5.09 #SUP  0.76  #QF  0.76
 23 LYS  QE     25 LEU  QD1     5.47 #SUP  1.00
 14 VAL  HN     14 VAL  QG2     4.01 #SUP  0.99  #QF  0.99
 45 HIST HB3    48 HIST HE1     5.17 #SUP  0.61  #QF  0.61
 12 GLN  HA     14 VAL  HN      5.50 #SUP  0.85  #QF  0.85
 12 GLN  HB2    14 VAL  QG1     5.50 #SUP  0.88  #QF  0.88
 12 GLN  HB3    14 VAL  QG1     5.50 #SUP  0.97  #QF  0.97
 12 GLN  QG     14 VAL  QG1     5.42 #SUP  0.91  #QF  0.91
 13 LYS  HA     13 LYS  HG2     3.86 #SUP  0.94  #QF  0.94
 13 LYS  HB3    14 VAL  QG1     5.50 #SUP  0.97  #QF  0.97
 13 LYS  HB2    14 VAL  QG1     5.50 #SUP  0.99  #QF  0.99
 13 LYS  HB3    16 HIS  HB2     5.49 #SUP  0.76  #QF  0.76
 13 LYS  HB2    16 HIS  HB2     5.49 #SUP  0.65  #QF  0.65
 13 LYS  HG2    14 VAL  HN      5.50 #SUP  1.00
 13 LYS  HG3    14 VAL  HN      5.50 #SUP  0.98  #QF  0.98
 26 LEU  HG     37 TRP  HH2     4.78 #SUP  0.90  #QF  0.90
 27 PHE  HB3    53 THR  HA      5.29 #SUP  0.96  #QF  0.84
 52 PRO  HB2    53 THR  HA      5.50 #SUP  0.96  #QF  0.84
 42 SER  HB3    45 HIST HN      4.94 #SUP  0.91  #QF  0.80
 42 SER  HB3    45 HIST HD2     5.50 #SUP  0.91  #QF  0.80
 42 SER  HB2    45 HIST HN      4.94 #SUP  0.70  #QF  0.51
 43 GLN  HA     45 HIST HN      4.76 #SUP  1.00
 43 GLN  HA     46 ARG  QG      3.68 #SUP  0.84  #QF  0.84
 44 GLU  HA     46 ARG  HN      4.49 #SUP  0.74  #QF  0.74
 45 HIST HB3    50 THR  QG2     5.39 #SUP  1.00  #QF  0.79
 28 CYSS HB2    45 HIST HE1     5.10 #SUP  0.98  #QF  0.98
 33 LYS  HG2    45 HIST HE1     5.37 #SUP  1.00
 33 LYS  HG3    45 HIST HE1     5.37 #SUP  0.69  #QF  0.69
 31 ASP  HB2    33 LYS  HD2     5.12 #SUP  0.93  #QF  0.93
 31 ASP  HB2    33 LYS  HB2     5.23 #SUP  0.99  #QF  0.99
 33 LYS  HB3    45 HIST HE1     5.50 #SUP  0.99  #QF  0.99
 33 LYS  HB2    45 HIST HE1     5.50 #SUP  0.99  #QF  0.99
 31 ASP  HB2    33 LYS  HB3     5.40 #SUP  0.85  #QF  0.85
 31 ASP  HB3    33 LYS  HG2     4.34 #SUP  0.98  #QF  0.98
 19 ARG  HB3    19 ARG  HD2     3.87 #SUP  0.98  #QF  0.98
 19 ARG  HB3    19 ARG  HD3     3.87 #SUP  0.98  #QF  0.98
 42 SER  HN     45 HIST HB3     5.50 #SUP  0.99  #QF  0.99
  9 PRO  QD     10 GLU  HN      4.02 
  9 PRO  QD     10 GLU  QB      4.89 
 10 GLU  HN     10 GLU  QB      3.11 
 10 GLU  QB     11 GLY  HN      4.21 
 10 GLU  QB     11 GLY  QA      4.54 
 11 GLY  QA     12 GLN  QB      4.51 
 12 GLN  HN     12 GLN  QB      3.13 
 12 GLN  QB     13 LYS  HN      3.90 
 12 GLN  QB     14 VAL  QG1     4.66 
 13 LYS  HN     13 LYS  QB      3.27 
 13 LYS  HN     13 LYS  QG      4.00 
 13 LYS  QB     14 VAL  HN      3.74 
 13 LYS  QB     16 HIS  HB2     4.76 
 13 LYS  QG     14 VAL  HN      4.73 
 14 VAL  QG1    23 LYS  QB      3.85 
 14 VAL  QG1    23 LYS  QG      4.20 
 16 HIS  HD2    23 LYS  QG      4.93 
 16 HIS  HE1    23 LYS  QB      5.00 
 16 HIS  HE1    23 LYS  QG      4.42 
 19 ARG  HA     19 ARG  QD      4.09 
 19 ARG  HB2    19 ARG  QD      3.11 
 20 HIST HB3    38 LEU  QB      4.17 
 20 HIST HD2    38 LEU  QB      4.70 
 20 HIST HE1    38 LEU  QB      4.64 
 20 HIST HE1    39 CYSS QB      4.46 
 20 HIST HE1    42 SER  QB      4.46 
 22 GLU  HN     22 GLU  QB      3.07 
 22 GLU  QB     23 LYS  HN      3.77 
 22 GLU  QB     23 LYS  HA      5.34 
 22 GLU  QB     36 CYSS HB2     3.35 
 22 GLU  QB     37 TRP  HN      4.07 
 22 GLU  QB     37 TRP  HD1     4.76 
 22 GLU  QB     38 LEU  HN      4.51 
 22 GLU  QG     38 LEU  QQD     4.84 
 23 LYS  HN     23 LYS  QB      3.51 
 23 LYS  HN     23 LYS  QG      3.60 
 23 LYS  HA     23 LYS  QG      3.35 
 23 LYS  HA     25 LEU  QQD     5.44 
 23 LYS  QB     23 LYS  QE      4.55 
 23 LYS  QB     25 LEU  QQD     3.01 
 23 LYS  QG     23 LYS  QE      3.02 
 23 LYS  QG     24 LEU  HN      4.47 
 23 LYS  QD     25 LEU  QQD     3.88 
 23 LYS  QE     25 LEU  QQD     4.21 
 24 LEU  HN     25 LEU  QQD     5.44 
 24 LEU  HB2    25 LEU  QQD     5.44 
 25 LEU  HN     25 LEU  QQD     3.48 
 25 LEU  HA     25 LEU  QQD     2.82 
 25 LEU  HB2    26 LEU  QQD     4.30 
 25 LEU  HB3    25 LEU  QQD     2.98 
 25 LEU  QQD    26 LEU  HN      4.85 
 25 LEU  QQD    37 TRP  HZ2     3.92 
 25 LEU  QQD    54 SER  QB      5.28 
 25 LEU  QQD    55 GLY  HN      4.89 
 25 LEU  QQD    55 GLY  QA      4.22 
 26 LEU  HN     26 LEU  QQD     4.29 
 26 LEU  HA     26 LEU  QQD     3.25 
 26 LEU  QQD    27 PHE  HN      3.79 
 26 LEU  QQD    35 ILE  HG13    4.36 
 26 LEU  QQD    35 ILE  QD1     4.69 
 26 LEU  QQD    36 CYSS HN      5.28 
 26 LEU  QQD    36 CYSS HA      4.82 
 26 LEU  QQD    37 TRP  HN      5.39 
 26 LEU  QQD    37 TRP  HA      3.42 
 26 LEU  QQD    37 TRP  HZ3     4.16 
 26 LEU  QQD    37 TRP  HH2     4.34 
 26 LEU  QQD    40 GLU  QB      4.01 
 26 LEU  QQD    40 GLU  QG      4.42 
 26 LEU  QQD    50 THR  HA      5.02 
 26 LEU  QQD    50 THR  HB      3.57 
 26 LEU  QQD    50 THR  QG2     4.06 
 26 LEU  QQD    51 PHE  HN      4.34 
 26 LEU  QQD    51 PHE  HA      4.35 
 26 LEU  QQD    52 PRO  HA      3.51 
 26 LEU  QQD    52 PRO  HB2     4.70 
 26 LEU  QQD    52 PRO  HB3     4.25 
 26 LEU  QQD    52 PRO  HD2     4.74 
 26 LEU  QQD    52 PRO  HD3     5.02 
 26 LEU  QQD    53 THR  HN      4.40 
 27 PHE  QE     32 GLY  QA      3.32 
 27 PHE  HZ     32 GLY  QA      3.63 
 29 GLN  HN     29 GLN  QG      3.45 
 29 GLN  HA     29 GLN  QG      3.48 
 29 GLN  HA     32 GLY  QA      4.18 
 29 GLN  QG     29 GLN  QE2     3.14 
 29 GLN  QG     30 GLU  HN      4.29 
 29 GLN  QG     32 GLY  HN      5.34 
 29 GLN  QG     49 HIS  QB      4.02 
 29 GLN  QG     51 PHE  QD      4.54 
 29 GLN  QG     51 PHE  QE      4.03 
 30 GLU  HN     30 GLU  QB      3.07 
 30 GLU  QB     31 ASP  HN      3.67 
 30 GLU  QB     32 GLY  HN      4.74 
 30 GLU  QB     48 HIST HE1     4.41 
 31 ASP  HN     33 LYS  QG      4.83 
 31 ASP  HB2    33 LYS  QG      3.82 
 31 ASP  HB2    33 LYS  QD      4.44 
 31 ASP  HB3    33 LYS  QG      3.63 
 31 ASP  HB3    33 LYS  QD      4.06 
 32 GLY  HN     33 LYS  QG      4.45 
 33 LYS  HA     33 LYS  QG      3.65 
 33 LYS  HA     33 LYS  QD      4.59 
 33 LYS  QG     35 ILE  QG2     3.47 
 33 LYS  QD     35 ILE  QG2     3.43 
 35 ILE  QG2    39 CYSS QB      3.36 
 35 ILE  QD1    39 CYSS QB      3.27 
 35 ILE  QD1    40 GLU  QB      3.62 
 36 CYSS HN     39 CYSS QB      3.16 
 37 TRP  HA     40 GLU  QB      3.56 
 38 LEU  HN     38 LEU  QB      3.27 
 38 LEU  HN     38 LEU  QQD     3.71 
 38 LEU  HN     41 ARG  QB      5.34 
 38 LEU  HA     38 LEU  QQD     3.44 
 38 LEU  HA     41 ARG  QB      4.20 
 38 LEU  QB     39 CYSS HN      3.34 
 38 LEU  QB     39 CYSS HA      5.34 
 38 LEU  QQD    39 CYSS HN      4.57 
 38 LEU  QQD    41 ARG  QB      5.28 
 38 LEU  QQD    41 ARG  QD      4.86 
 39 CYSS HN     39 CYSS QB      3.04 
 39 CYSS HA     42 SER  QB      3.42 
 39 CYSS QB     45 HIST HD2     3.72 
 40 GLU  QB     41 ARG  HN      3.86 
 40 GLU  QB     42 SER  HN      5.00 
 40 GLU  QB     50 THR  QG2     4.38 
 41 ARG  HN     41 ARG  QB      3.06 
 41 ARG  QB     42 SER  HN      3.79 
 42 SER  HN     42 SER  QB      3.04 
 42 SER  QB     44 GLU  HN      4.65 
 42 SER  QB     45 HIST HN      4.21 
 42 SER  QB     45 HIST HD2     4.82 
 43 GLN  HA     43 GLN  QG      3.48 
 43 GLN  QB     44 GLU  HN      4.44 
 43 GLN  QG     44 GLU  HN      5.34 
 43 GLN  QG     46 ARG  QB      4.32 
 43 GLN  QG     46 ARG  QG      4.47 
 43 GLN  QG     46 ARG  QD      4.37 
 44 GLU  HN     44 GLU  QB      3.62 
 44 GLU  HN     44 GLU  QG      4.33 
 44 GLU  HA     44 GLU  QG      3.07 
 44 GLU  QG     45 HIST HN      4.34 
 44 GLU  QG     45 HIST HD2     5.34 
 46 ARG  HA     47 GLY  QA      4.49 
 46 ARG  QG     47 GLY  QA      3.95 
 54 SER  HN     54 SER  QB      3.60 
 54 SER  QB     55 GLY  HN      4.35 
 55 GLY  QA     56 PRO  QD      2.42 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -4.213 -16.797 -13.761
    2    HA2  GLY   1           1HA      GLY   1  -4.458 -14.164 -13.530
    3    HA3  GLY   1           2HA      GLY   1  -3.583 -15.078 -12.310
    4    H    SER   2           H        SER   2  -1.878 -13.884 -11.758
    5    HA   SER   2           HA       SER   2   0.051 -13.199 -13.831
    6    HB2  SER   2           1HB      SER   2  -1.274 -11.164 -13.663
    7    HB3  SER   2           2HB      SER   2  -1.089 -11.156 -11.909
    8    HG   SER   2           HG       SER   2   0.389  -9.805 -13.306
    9    H    SER   3           H        SER   3   2.065 -13.623 -13.188
   10    HA   SER   3           HA       SER   3   2.614 -14.840 -10.726
   11    HB2  SER   3           1HB      SER   3   4.023 -15.287 -12.632
   12    HB3  SER   3           2HB      SER   3   4.474 -13.587 -12.758
   13    HG   SER   3           HG       SER   3   6.124 -14.396 -11.645
   14    H    GLY   4           H        GLY   4   3.314 -11.546 -11.870
   15    HA2  GLY   4           1HA      GLY   4   2.808  -9.897  -9.963
   16    HA3  GLY   4           2HA      GLY   4   4.043 -10.814  -9.111
   17    H    SER   5           H        SER   5   4.292  -8.093  -9.480
   18    HA   SER   5           HA       SER   5   6.113  -7.709 -11.727
   19    HB2  SER   5           1HB      SER   5   5.964  -5.366 -11.274
   20    HB3  SER   5           2HB      SER   5   4.331  -6.012 -11.119
   21    HG   SER   5           HG       SER   5   5.781  -4.710  -9.299
   22    H    SER   6           H        SER   6   6.106  -7.542  -8.189
   23    HA   SER   6           HA       SER   6   9.052  -7.634  -8.264
   24    HB2  SER   6           1HB      SER   6   8.082  -5.481  -7.382
   25    HB3  SER   6           2HB      SER   6   7.385  -6.411  -6.056
   26    HG   SER   6           HG       SER   6   9.960  -5.580  -6.445
   27    H    GLY   7           H        GLY   7   9.695  -9.619  -7.750
   28    HA2  GLY   7           1HA      GLY   7   8.370 -10.948  -5.469
   29    HA3  GLY   7           2HA      GLY   7   8.787 -11.833  -6.929
   30    H    SER   8           H        SER   8  10.422  -9.591  -4.685
   31    HA   SER   8           HA       SER   8  12.521 -11.595  -4.307
   32    HB2  SER   8           1HB      SER   8  12.925  -8.791  -5.331
   33    HB3  SER   8           2HB      SER   8  14.210  -9.656  -4.489
   34    HG   SER   8           HG       SER   8  13.266  -9.973  -7.032
   35    HA   PRO   9           HA       PRO   9  11.980 -10.352  -0.104
   36    HB2  PRO   9           1HB      PRO   9  14.181 -11.567   0.922
   37    HB3  PRO   9           2HB      PRO   9  12.729 -12.454   0.443
   38    HG2  PRO   9           1HG      PRO   9  15.294 -12.072  -1.052
   39    HG3  PRO   9           2HG      PRO   9  14.317 -13.540  -0.864
   40    HD2  PRO   9           1HD      PRO   9  14.235 -12.011  -3.097
   41    HD3  PRO   9           2HD      PRO   9  12.823 -12.905  -2.500
   42    H    GLU  10           H        GLU  10  14.761  -9.586  -2.019
   43    HA   GLU  10           HA       GLU  10  15.929  -7.854  -0.007
   44    HB2  GLU  10           1HB      GLU  10  16.679  -8.514  -2.851
   45    HB3  GLU  10           2HB      GLU  10  17.523  -7.291  -1.911
   46    HG2  GLU  10           1HG      GLU  10  18.833  -9.181  -1.651
   47    HG3  GLU  10           2HG      GLU  10  17.869  -9.142  -0.175
   48    H    GLY  11           H        GLY  11  13.222  -7.477  -1.499
   49    HA2  GLY  11           1HA      GLY  11  13.607  -4.947  -2.848
   50    HA3  GLY  11           2HA      GLY  11  12.075  -5.760  -2.567
   51    H    GLN  12           H        GLN  12  13.018  -2.931  -2.154
   52    HA   GLN  12           HA       GLN  12  13.270  -2.305   0.542
   53    HB2  GLN  12           1HB      GLN  12  11.935  -0.721  -1.658
   54    HB3  GLN  12           2HB      GLN  12  12.372  -0.072  -0.083
   55    HG2  GLN  12           1HG      GLN  12  14.696  -0.384  -0.519
   56    HG3  GLN  12           2HG      GLN  12  14.350  -1.269  -2.004
   57   HE21  GLN  12          1HE2      GLN  12  15.347   1.606  -0.839
   58   HE22  GLN  12          2HE2      GLN  12  14.884   2.638  -2.144
   59    H    LYS  13           H        LYS  13  11.960  -3.211   2.021
   60    HA   LYS  13           HA       LYS  13   9.184  -3.677   1.612
   61    HB2  LYS  13           1HB      LYS  13  10.721  -3.593   4.214
   62    HB3  LYS  13           2HB      LYS  13   9.142  -4.325   3.963
   63    HG2  LYS  13           1HG      LYS  13  10.277  -5.838   2.271
   64    HG3  LYS  13           2HG      LYS  13  11.804  -5.242   2.925
   65    HD2  LYS  13           1HD      LYS  13   9.710  -6.306   4.775
   66    HD3  LYS  13           2HD      LYS  13  10.735  -7.427   3.875
   67    HE2  LYS  13           1HE      LYS  13  12.674  -5.937   4.778
   68    HE3  LYS  13           2HE      LYS  13  11.483  -5.437   5.978
   69    HZ1  LYS  13           3HZ      LYS  13  12.036  -7.253   7.099
   70    HZ2  LYS  13           1HZ      LYS  13  12.971  -7.855   5.823
   71    HZ3  LYS  13           2HZ      LYS  13  11.312  -8.177   5.881
   72    H    VAL  14           H        VAL  14   7.929  -1.933   1.247
   73    HA   VAL  14           HA       VAL  14   7.867   0.128   3.347
   74    HB   VAL  14           HB       VAL  14   8.911   1.240   1.535
   75   HG11  VAL  14          1HG1      VAL  14   8.242   1.140  -0.733
   76   HG12  VAL  14          2HG1      VAL  14   8.249  -0.526  -0.148
   77   HG13  VAL  14          3HG1      VAL  14   6.723   0.343  -0.325
   78   HG21  VAL  14          3HG2      VAL  14   5.960   1.865   1.462
   79   HG22  VAL  14          1HG2      VAL  14   7.141   2.526   2.593
   80   HG23  VAL  14          2HG2      VAL  14   7.244   2.922   0.878
   81    H    ASP  15           H        ASP  15   6.007  -0.212   4.380
   82    HA   ASP  15           HA       ASP  15   3.802  -0.603   4.800
   83    HB2  ASP  15           1HB      ASP  15   3.708   0.968   2.235
   84    HB3  ASP  15           2HB      ASP  15   2.230   0.427   3.026
   85    H    HIS  16           H        HIS  16   5.014  -2.843   3.895
   86    HA   HIS  16           HA       HIS  16   3.590  -3.993   1.673
   87    HB2  HIS  16           1HB      HIS  16   5.685  -4.933   3.585
   88    HB3  HIS  16           2HB      HIS  16   4.757  -6.135   2.693
   89    HD1  HIS  16           1HD      HIS  16   6.435  -2.869   1.659
   90    HD2  HIS  16           2HD      HIS  16   6.197  -6.863   0.537
   91    HE1  HIS  16           1HE      HIS  16   7.865  -3.076  -0.400
   92    HE2  HIS  16           2HE      HIS  16   7.636  -5.482  -1.110
   93    H    CYS  17           H        CYS  17   1.682  -4.971   1.742
   94    HA   CYS  17           HA       CYS  17   0.035  -5.066   3.958
   95    HB2  CYS  17           1HB      CYS  17  -0.635  -5.331   1.535
   96    HB3  CYS  17           2HB      CYS  17  -0.115  -7.009   1.650
   97    H    ALA  18           H        ALA  18   0.121  -6.211   5.764
   98    HA   ALA  18           HA       ALA  18   1.919  -8.395   6.103
   99    HB1  ALA  18           3HB      ALA  18   1.150  -8.471   8.368
  100    HB2  ALA  18           1HB      ALA  18   1.297  -6.778   7.894
  101    HB3  ALA  18           2HB      ALA  18  -0.292  -7.540   7.962
  102    H    ARG  19           H        ARG  19  -1.034  -8.256   4.632
  103    HA   ARG  19           HA       ARG  19  -1.891 -10.916   5.502
  104    HB2  ARG  19           1HB      ARG  19  -3.669  -9.318   5.454
  105    HB3  ARG  19           2HB      ARG  19  -3.228  -8.785   3.837
  106    HG2  ARG  19           1HG      ARG  19  -4.080 -10.713   2.839
  107    HG3  ARG  19           2HG      ARG  19  -4.097 -11.602   4.364
  108    HD2  ARG  19           1HD      ARG  19  -5.798  -9.846   5.140
  109    HD3  ARG  19           2HD      ARG  19  -5.945  -9.428   3.434
  110    HE   ARG  19           HE       ARG  19  -7.116 -11.369   3.088
  111   HH11  ARG  19          2HH1      ARG  19  -5.566 -11.493   6.203
  112   HH12  ARG  19          1HH1      ARG  19  -6.387 -12.935   6.700
  113   HH21  ARG  19          2HH2      ARG  19  -8.203 -13.268   3.730
  114   HH22  ARG  19          1HH2      ARG  19  -7.886 -13.945   5.292
  115    H    HIS  20           H        HIS  20  -1.074  -9.137   2.539
  116    HA   HIS  20           HA       HIS  20  -0.773 -11.714   1.150
  117    HB2  HIS  20           1HB      HIS  20  -1.108  -8.946  -0.026
  118    HB3  HIS  20           2HB      HIS  20  -0.990 -10.447  -0.940
  119    HD2  HIS  20           2HD      HIS  20  -3.306 -12.057  -0.895
  120    HE1  HIS  20           1HE      HIS  20  -5.755  -9.134   0.965
  121    HE2  HIS  20           2HE      HIS  20  -5.694 -11.386  -0.160
  122    H    GLY  21           H        GLY  21   0.811  -8.660   1.893
  123    HA2  GLY  21           1HA      GLY  21   3.162  -8.544   2.280
  124    HA3  GLY  21           2HA      GLY  21   3.376  -9.914   1.201
  125    H    GLU  22           H        GLU  22   1.185  -7.742  -0.102
  126    HA   GLU  22           HA       GLU  22   3.162  -6.846  -2.036
  127    HB2  GLU  22           1HB      GLU  22   0.182  -6.945  -1.932
  128    HB3  GLU  22           2HB      GLU  22   0.939  -5.773  -3.002
  129    HG2  GLU  22           1HG      GLU  22   0.310  -8.048  -3.967
  130    HG3  GLU  22           2HG      GLU  22   1.918  -7.418  -4.318
  131    H    LYS  23           H        LYS  23   3.643  -4.709  -2.492
  132    HA   LYS  23           HA       LYS  23   3.726  -2.922  -0.334
  133    HB2  LYS  23           1HB      LYS  23   4.129  -2.528  -3.296
  134    HB3  LYS  23           2HB      LYS  23   4.342  -1.224  -2.135
  135    HG2  LYS  23           1HG      LYS  23   6.208  -2.212  -1.174
  136    HG3  LYS  23           2HG      LYS  23   5.804  -3.812  -1.801
  137    HD2  LYS  23           1HD      LYS  23   7.584  -3.115  -3.143
  138    HD3  LYS  23           2HD      LYS  23   6.157  -2.771  -4.123
  139    HE2  LYS  23           1HE      LYS  23   6.370  -0.504  -3.881
  140    HE3  LYS  23           2HE      LYS  23   7.176  -0.637  -2.319
  141    HZ1  LYS  23           3HZ      LYS  23   8.368  -1.165  -4.985
  142    HZ2  LYS  23           1HZ      LYS  23   9.148  -1.483  -3.518
  143    HZ3  LYS  23           2HZ      LYS  23   8.747   0.106  -3.935
  144    H    LEU  24           H        LEU  24   2.349  -1.434   0.414
  145    HA   LEU  24           HA       LEU  24  -0.251  -1.194  -0.854
  146    HB2  LEU  24           1HB      LEU  24   0.775   0.014   1.709
  147    HB3  LEU  24           2HB      LEU  24  -0.900   0.005   1.164
  148    HG   LEU  24           HG       LEU  24   0.591  -2.551   1.670
  149   HD11  LEU  24          1HD1      LEU  24  -0.346  -2.568   3.925
  150   HD12  LEU  24          2HD1      LEU  24  -0.965  -0.935   3.685
  151   HD13  LEU  24          3HD1      LEU  24   0.774  -1.224   3.705
  152   HD21  LEU  24          3HD2      LEU  24  -2.336  -2.017   2.018
  153   HD22  LEU  24          1HD2      LEU  24  -1.508  -3.544   1.711
  154   HD23  LEU  24          2HD2      LEU  24  -1.660  -2.350   0.422
  155    H    LEU  25           H        LEU  25  -0.216   0.149  -2.569
  156    HA   LEU  25           HA       LEU  25   0.887   2.850  -2.151
  157    HB2  LEU  25           1HB      LEU  25   0.574   1.379  -4.762
  158    HB3  LEU  25           2HB      LEU  25   1.277   2.979  -4.541
  159    HG   LEU  25           HG       LEU  25   2.444   0.421  -3.448
  160   HD11  LEU  25          1HD1      LEU  25   2.454   0.562  -5.932
  161   HD12  LEU  25          2HD1      LEU  25   4.061   0.542  -5.207
  162   HD13  LEU  25          3HD1      LEU  25   3.379   2.057  -5.798
  163   HD21  LEU  25          3HD2      LEU  25   3.203   3.299  -3.306
  164   HD22  LEU  25          1HD2      LEU  25   4.476   2.081  -3.389
  165   HD23  LEU  25          2HD2      LEU  25   3.304   2.041  -2.072
  166    H    LEU  26           H        LEU  26  -1.914   1.244  -2.174
  167    HA   LEU  26           HA       LEU  26  -3.388   3.391  -3.549
  168    HB2  LEU  26           1HB      LEU  26  -4.192   0.552  -2.945
  169    HB3  LEU  26           2HB      LEU  26  -5.278   1.769  -3.611
  170    HG   LEU  26           HG       LEU  26  -2.744   0.956  -5.010
  171   HD11  LEU  26          1HD1      LEU  26  -3.897  -0.691  -6.230
  172   HD12  LEU  26          2HD1      LEU  26  -5.460  -0.194  -5.584
  173   HD13  LEU  26          3HD1      LEU  26  -4.290  -0.999  -4.539
  174   HD21  LEU  26          3HD2      LEU  26  -3.563   2.099  -6.820
  175   HD22  LEU  26          1HD2      LEU  26  -4.209   3.079  -5.503
  176   HD23  LEU  26          2HD2      LEU  26  -5.244   1.908  -6.321
  177    H    PHE  27           H        PHE  27  -5.288   4.221  -2.554
  178    HA   PHE  27           HA       PHE  27  -5.464   3.733   0.344
  179    HB2  PHE  27           1HB      PHE  27  -4.314   5.898  -0.220
  180    HB3  PHE  27           2HB      PHE  27  -5.813   6.430  -0.974
  181    HD1  PHE  27           1HD      PHE  27  -7.805   6.856   0.390
  182    HD2  PHE  27           2HD      PHE  27  -4.065   5.840   2.150
  183    HE1  PHE  27           1HE      PHE  27  -8.613   7.666   2.569
  184    HE2  PHE  27           2HE      PHE  27  -4.868   6.647   4.331
  185    HZ   PHE  27           HZ       PHE  27  -7.145   7.561   4.543
  186    H    CYS  28           H        CYS  28  -7.352   2.776   0.699
  187    HA   CYS  28           HA       CYS  28  -9.595   3.073  -1.053
  188    HB2  CYS  28           1HB      CYS  28  -9.108   0.971   0.169
  189    HB3  CYS  28           2HB      CYS  28  -9.463   1.792   1.685
  190    H    GLN  29           H        GLN  29 -11.420   4.265  -0.809
  191    HA   GLN  29           HA       GLN  29 -11.328   6.410   1.142
  192    HB2  GLN  29           1HB      GLN  29 -12.927   5.845  -1.321
  193    HB3  GLN  29           2HB      GLN  29 -13.545   7.001  -0.148
  194    HG2  GLN  29           1HG      GLN  29 -10.744   7.269  -1.128
  195    HG3  GLN  29           2HG      GLN  29 -12.080   7.793  -2.151
  196   HE21  GLN  29          1HE2      GLN  29  -9.857   9.006  -0.274
  197   HE22  GLN  29          2HE2      GLN  29 -10.702  10.312   0.478
  198    H    GLU  30           H        GLU  30 -13.598   3.839   0.193
  199    HA   GLU  30           HA       GLU  30 -15.613   4.283   2.008
  200    HB2  GLU  30           1HB      GLU  30 -15.239   2.421   0.157
  201    HB3  GLU  30           2HB      GLU  30 -14.755   1.463   1.549
  202    HG2  GLU  30           1HG      GLU  30 -17.396   2.873   1.238
  203    HG3  GLU  30           2HG      GLU  30 -17.113   1.153   0.974
  204    H    ASP  31           H        ASP  31 -12.508   2.715   2.531
  205    HA   ASP  31           HA       ASP  31 -13.188   2.309   5.359
  206    HB2  ASP  31           1HB      ASP  31 -11.010   1.155   3.615
  207    HB3  ASP  31           2HB      ASP  31 -11.037   0.955   5.365
  208    H    GLY  32           H        GLY  32 -10.912   3.914   3.211
  209    HA2  GLY  32           1HA      GLY  32  -9.730   5.874   3.633
  210    HA3  GLY  32           2HA      GLY  32 -10.255   5.798   5.309
  211    H    LYS  33           H        LYS  33  -8.758   3.053   3.784
  212    HA   LYS  33           HA       LYS  33  -6.278   3.605   5.275
  213    HB2  LYS  33           1HB      LYS  33  -6.135   1.081   5.562
  214    HB3  LYS  33           2HB      LYS  33  -7.348   1.911   6.528
  215    HG2  LYS  33           1HG      LYS  33  -9.073   0.919   5.465
  216    HG3  LYS  33           2HG      LYS  33  -8.244   0.897   3.907
  217    HD2  LYS  33           1HD      LYS  33  -8.559  -1.367   4.744
  218    HD3  LYS  33           2HD      LYS  33  -6.843  -0.960   4.688
  219    HE2  LYS  33           1HE      LYS  33  -7.101  -2.006   6.756
  220    HE3  LYS  33           2HE      LYS  33  -7.130  -0.287   7.149
  221    HZ1  LYS  33           3HZ      LYS  33  -8.885  -1.727   8.221
  222    HZ2  LYS  33           1HZ      LYS  33  -9.608  -1.839   6.696
  223    HZ3  LYS  33           2HZ      LYS  33  -9.440  -0.331   7.443
  224    H    VAL  34           H        VAL  34  -4.531   1.910   4.491
  225    HA   VAL  34           HA       VAL  34  -4.417   2.201   1.574
  226    HB   VAL  34           HB       VAL  34  -1.938   1.450   2.096
  227   HG11  VAL  34          1HG1      VAL  34  -2.911   3.679   1.242
  228   HG12  VAL  34          2HG1      VAL  34  -2.687   4.238   2.901
  229   HG13  VAL  34          3HG1      VAL  34  -1.301   3.684   1.961
  230   HG21  VAL  34          3HG2      VAL  34  -2.604   2.841   4.674
  231   HG22  VAL  34          1HG2      VAL  34  -2.601   1.082   4.534
  232   HG23  VAL  34          2HG2      VAL  34  -1.122   1.995   4.229
  233    H    ILE  35           H        ILE  35  -4.866   0.486   0.375
  234    HA   ILE  35           HA       ILE  35  -4.351  -2.192   1.493
  235    HB   ILE  35           HB       ILE  35  -6.132  -3.056   0.089
  236   HG12  ILE  35          1HG1      ILE  35  -6.660  -0.195  -0.739
  237   HG13  ILE  35          2HG1      ILE  35  -5.828  -1.375  -1.748
  238   HG21  ILE  35          1HG2      ILE  35  -6.779  -2.341   2.285
  239   HG22  ILE  35          2HG2      ILE  35  -6.940  -0.671   1.743
  240   HG23  ILE  35          3HG2      ILE  35  -8.059  -1.901   1.155
  241   HD11  ILE  35          3HD1      ILE  35  -8.698  -1.210  -0.991
  242   HD12  ILE  35          1HD1      ILE  35  -7.957  -1.511  -2.563
  243   HD13  ILE  35          2HD1      ILE  35  -7.990  -2.786  -1.345
  244    H    CYS  36           H        CYS  36  -4.000  -3.885  -0.233
  245    HA   CYS  36           HA       CYS  36  -2.122  -2.813  -2.222
  246    HB2  CYS  36           1HB      CYS  36  -1.103  -5.024  -2.240
  247    HB3  CYS  36           2HB      CYS  36  -1.210  -4.427  -0.587
  248    H    TRP  37           H        TRP  37  -1.914  -4.509  -4.145
  249    HA   TRP  37           HA       TRP  37  -4.121  -4.194  -5.773
  250    HB2  TRP  37           1HB      TRP  37  -2.414  -6.604  -6.194
  251    HB3  TRP  37           2HB      TRP  37  -2.970  -5.403  -7.357
  252    HD1  TRP  37           HD       TRP  37   0.137  -6.524  -6.140
  253    HE1  TRP  37           1HE      TRP  37   1.928  -4.677  -6.068
  254    HE3  TRP  37           3HE      TRP  37  -2.905  -2.430  -6.480
  255    HZ2  TRP  37           2HZ      TRP  37   2.037  -1.858  -6.145
  256    HZ3  TRP  37           3HZ      TRP  37  -1.878  -0.194  -6.473
  257    HH2  TRP  37           HH       TRP  37   0.542   0.084  -6.309
  258    H    LEU  38           H        LEU  38  -3.103  -7.286  -4.302
  259    HA   LEU  38           HA       LEU  38  -5.292  -8.807  -4.959
  260    HB2  LEU  38           1HB      LEU  38  -3.776  -8.918  -2.356
  261    HB3  LEU  38           2HB      LEU  38  -4.753 -10.212  -3.047
  262    HG   LEU  38           HG       LEU  38  -2.043  -9.242  -3.855
  263   HD11  LEU  38          1HD1      LEU  38  -1.560 -11.625  -3.867
  264   HD12  LEU  38          2HD1      LEU  38  -3.249 -11.984  -3.509
  265   HD13  LEU  38          3HD1      LEU  38  -2.257 -11.136  -2.322
  266   HD21  LEU  38          3HD2      LEU  38  -3.823 -10.892  -5.639
  267   HD22  LEU  38          1HD2      LEU  38  -2.198 -10.301  -5.983
  268   HD23  LEU  38          2HD2      LEU  38  -3.541  -9.165  -5.862
  269    H    CYS  39           H        CYS  39  -4.883  -6.770  -2.076
  270    HA   CYS  39           HA       CYS  39  -7.296  -7.344  -0.819
  271    HB2  CYS  39           1HB      CYS  39  -5.426  -5.016  -0.791
  272    HB3  CYS  39           2HB      CYS  39  -7.003  -4.830  -0.030
  273    H    GLU  40           H        GLU  40  -6.573  -4.640  -3.031
  274    HA   GLU  40           HA       GLU  40  -9.080  -3.497  -3.149
  275    HB2  GLU  40           1HB      GLU  40  -7.208  -2.415  -4.190
  276    HB3  GLU  40           2HB      GLU  40  -6.976  -3.760  -5.298
  277    HG2  GLU  40           1HG      GLU  40  -7.990  -1.954  -6.484
  278    HG3  GLU  40           2HG      GLU  40  -9.174  -3.249  -6.311
  279    H    ARG  41           H        ARG  41  -7.806  -6.187  -5.076
  280    HA   ARG  41           HA       ARG  41 -10.350  -6.535  -6.427
  281    HB2  ARG  41           1HB      ARG  41  -7.740  -8.046  -6.587
  282    HB3  ARG  41           2HB      ARG  41  -9.169  -8.464  -7.522
  283    HG2  ARG  41           1HG      ARG  41  -9.112  -6.255  -8.581
  284    HG3  ARG  41           2HG      ARG  41  -7.658  -5.864  -7.660
  285    HD2  ARG  41           1HD      ARG  41  -7.875  -8.208  -9.539
  286    HD3  ARG  41           2HD      ARG  41  -7.251  -6.629 -10.013
  287    HE   ARG  41           HE       ARG  41  -5.957  -7.838  -7.725
  288   HH11  ARG  41          2HH1      ARG  41  -5.957  -7.389 -11.177
  289   HH12  ARG  41          1HH1      ARG  41  -4.273  -7.756 -11.356
  290   HH21  ARG  41          2HH2      ARG  41  -3.739  -8.323  -7.948
  291   HH22  ARG  41          1HH2      ARG  41  -3.013  -8.289  -9.519
  292    H    SER  42           H        SER  42  -9.813  -7.019  -3.442
  293    HA   SER  42           HA       SER  42 -10.640  -9.831  -3.285
  294    HB2  SER  42           1HB      SER  42  -8.685  -8.836  -1.899
  295    HB3  SER  42           2HB      SER  42  -9.955  -8.117  -0.909
  296    HG   SER  42           HG       SER  42  -9.280 -10.813  -1.268
  297    H    GLN  43           H        GLN  43 -12.511 -10.456  -2.218
  298    HA   GLN  43           HA       GLN  43 -14.785  -8.949  -2.535
  299    HB2  GLN  43           1HB      GLN  43 -14.091 -11.309  -0.859
  300    HB3  GLN  43           2HB      GLN  43 -15.614 -10.493  -0.529
  301    HG2  GLN  43           1HG      GLN  43 -16.305 -10.821  -2.839
  302    HG3  GLN  43           2HG      GLN  43 -14.769 -11.610  -3.194
  303   HE21  GLN  43          1HE2      GLN  43 -15.282 -13.657  -3.579
  304   HE22  GLN  43          2HE2      GLN  43 -16.199 -14.676  -2.528
  305    H    GLU  44           H        GLU  44 -12.369  -8.596  -0.156
  306    HA   GLU  44           HA       GLU  44 -13.965  -7.415   1.892
  307    HB2  GLU  44           1HB      GLU  44 -11.041  -7.655   1.337
  308    HB3  GLU  44           2HB      GLU  44 -11.575  -6.464   2.514
  309    HG2  GLU  44           1HG      GLU  44 -12.893  -8.444   3.543
  310    HG3  GLU  44           2HG      GLU  44 -11.773  -9.439   2.615
  311    H    HIS  45           H        HIS  45 -11.747  -6.048  -0.539
  312    HA   HIS  45           HA       HIS  45 -13.053  -3.439  -0.139
  313    HB2  HIS  45           1HB      HIS  45 -10.292  -4.096  -1.181
  314    HB3  HIS  45           2HB      HIS  45 -10.983  -2.477  -1.159
  315    HD2  HIS  45           2HD      HIS  45  -9.111  -4.883   1.157
  316    HE1  HIS  45           1HE      HIS  45 -10.381  -1.601   3.526
  317    HE2  HIS  45           2HE      HIS  45  -8.878  -3.618   3.401
  318    H    ARG  46           H        ARG  46 -13.711  -5.839  -1.933
  319    HA   ARG  46           HA       ARG  46 -13.256  -5.195  -4.610
  320    HB2  ARG  46           1HB      ARG  46 -14.284  -7.326  -3.541
  321    HB3  ARG  46           2HB      ARG  46 -15.814  -6.472  -3.692
  322    HG2  ARG  46           1HG      ARG  46 -15.112  -6.159  -6.165
  323    HG3  ARG  46           2HG      ARG  46 -13.999  -7.487  -5.832
  324    HD2  ARG  46           1HD      ARG  46 -15.850  -8.625  -6.592
  325    HD3  ARG  46           2HD      ARG  46 -16.120  -8.642  -4.850
  326    HE   ARG  46           HE       ARG  46 -17.909  -7.208  -5.130
  327   HH11  ARG  46          2HH1      ARG  46 -16.159  -7.557  -8.119
  328   HH12  ARG  46          1HH1      ARG  46 -17.383  -6.790  -9.076
  329   HH21  ARG  46          2HH2      ARG  46 -19.527  -6.196  -6.379
  330   HH22  ARG  46          1HH2      ARG  46 -19.298  -6.015  -8.085
  331    H    GLY  47           H        GLY  47 -14.055  -3.696  -5.945
  332    HA2  GLY  47           1HA      GLY  47 -15.591  -2.197  -6.848
  333    HA3  GLY  47           2HA      GLY  47 -16.667  -2.527  -5.499
  334    H    HIS  48           H        HIS  48 -14.273  -1.995  -3.673
  335    HA   HIS  48           HA       HIS  48 -14.911   0.673  -3.047
  336    HB2  HIS  48           1HB      HIS  48 -12.491  -0.953  -2.238
  337    HB3  HIS  48           2HB      HIS  48 -13.001   0.554  -1.484
  338    HD2  HIS  48           2HD      HIS  48 -16.000  -1.685  -2.163
  339    HE1  HIS  48           1HE      HIS  48 -14.849  -2.382   1.861
  340    HE2  HIS  48           2HE      HIS  48 -16.581  -2.824   0.086
  341    H    HIS  49           H        HIS  49 -14.033   2.589  -3.606
  342    HA   HIS  49           HA       HIS  49 -12.169   2.606  -5.829
  343    HB2  HIS  49           1HB      HIS  49 -13.981   4.598  -4.549
  344    HB3  HIS  49           2HB      HIS  49 -12.591   5.203  -5.445
  345    HD1  HIS  49           1HD      HIS  49 -15.690   5.458  -6.245
  346    HD2  HIS  49           2HD      HIS  49 -12.893   2.855  -7.875
  347    HE1  HIS  49           1HE      HIS  49 -16.566   4.874  -8.529
  348    HE2  HIS  49           2HE      HIS  49 -14.900   3.231  -9.462
  349    H    THR  50           H        THR  50 -10.054   2.666  -5.519
  350    HA   THR  50           HA       THR  50  -9.019   3.934  -3.068
  351    HB   THR  50           HB       THR  50  -7.078   2.501  -3.212
  352    HG1  THR  50           1HG      THR  50  -7.330   2.402  -5.659
  353   HG21  THR  50          3HG2      THR  50  -8.079   0.669  -2.336
  354   HG22  THR  50          1HG2      THR  50  -9.157   0.466  -3.717
  355   HG23  THR  50          2HG2      THR  50  -9.531   1.659  -2.474
  356    H    PHE  51           H        PHE  51  -6.979   5.065  -3.235
  357    HA   PHE  51           HA       PHE  51  -6.431   6.098  -5.937
  358    HB2  PHE  51           1HB      PHE  51  -6.592   7.648  -3.348
  359    HB3  PHE  51           2HB      PHE  51  -5.918   8.302  -4.838
  360    HD1  PHE  51           1HD      PHE  51  -8.995   7.042  -3.244
  361    HD2  PHE  51           2HD      PHE  51  -7.314   9.096  -6.572
  362    HE1  PHE  51           1HE      PHE  51 -11.248   7.733  -3.952
  363    HE2  PHE  51           2HE      PHE  51  -9.564   9.790  -7.284
  364    HZ   PHE  51           HZ       PHE  51 -11.535   9.109  -5.974
  365    HA   PRO  52           HA       PRO  52  -2.231   5.033  -5.195
  366    HB2  PRO  52           1HB      PRO  52  -1.009   6.789  -6.867
  367    HB3  PRO  52           2HB      PRO  52  -1.897   5.373  -7.443
  368    HG2  PRO  52           1HG      PRO  52  -2.784   8.227  -7.276
  369    HG3  PRO  52           2HG      PRO  52  -3.030   7.054  -8.583
  370    HD2  PRO  52           1HD      PRO  52  -4.959   7.650  -6.779
  371    HD3  PRO  52           2HD      PRO  52  -4.800   6.040  -7.510
  372    H    THR  53           H        THR  53  -1.404   5.527  -3.250
  373    HA   THR  53           HA       THR  53  -1.340   8.171  -2.186
  374    HB   THR  53           HB       THR  53  -0.155   7.231  -0.300
  375    HG1  THR  53           1HG      THR  53   0.287   5.078  -2.085
  376   HG21  THR  53          3HG2      THR  53  -1.694   4.994  -0.161
  377   HG22  THR  53          1HG2      THR  53  -2.535   5.908  -1.412
  378   HG23  THR  53          2HG2      THR  53  -2.274   6.624   0.178
  379    H    SER  54           H        SER  54   1.126   5.996  -3.522
  380    HA   SER  54           HA       SER  54   3.226   6.368  -4.312
  381    HB2  SER  54           1HB      SER  54   1.829   8.075  -5.660
  382    HB3  SER  54           2HB      SER  54   2.536   9.286  -4.590
  383    HG   SER  54           HG       SER  54   4.221   9.207  -5.824
  384    H    GLY  55           H        GLY  55   3.014   6.340  -1.565
  385    HA2  GLY  55           1HA      GLY  55   4.297   6.801   0.285
  386    HA3  GLY  55           2HA      GLY  55   5.423   7.611  -0.794
  387    HA   PRO  56           HA       PRO  56   3.852  10.933   1.906
  388    HB2  PRO  56           1HB      PRO  56   6.127  12.408   1.760
  389    HB3  PRO  56           2HB      PRO  56   5.925  11.062   2.888
  390    HG2  PRO  56           1HG      PRO  56   7.320  11.122   0.239
  391    HG3  PRO  56           2HG      PRO  56   7.833  10.362   1.757
  392    HD2  PRO  56           1HD      PRO  56   6.710   8.959  -0.269
  393    HD3  PRO  56           2HD      PRO  56   6.484   8.520   1.436
  394    H    SER  57           H        SER  57   2.403  11.321   0.028
  395    HA   SER  57           HA       SER  57   3.011  13.874  -1.164
  396    HB2  SER  57           1HB      SER  57   4.029  12.159  -2.727
  397    HB3  SER  57           2HB      SER  57   2.391  11.579  -3.031
  398    HG   SER  57           HG       SER  57   3.231  13.198  -4.537
  399    H    SER  58           H        SER  58   1.197  15.036  -1.577
  400    HA   SER  58           HA       SER  58  -1.299  13.961  -0.635
  401    HB2  SER  58           1HB      SER  58  -0.512  16.323  -0.218
  402    HB3  SER  58           2HB      SER  58  -0.826  16.656  -1.921
  403    HG   SER  58           HG       SER  58  -3.005  15.564  -1.127
  404    H    GLY  59           H        GLY  59  -0.283  15.470  -3.709
  405    HA2  GLY  59           1HA      GLY  59  -2.541  14.111  -5.023
  406    HA3  GLY  59           2HA      GLY  59  -1.704  15.525  -5.646
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  20.720 -20.988 -12.807
    2    HA2  GLY   1           1HA      GLY   1  18.288 -22.469 -12.068
    3    HA3  GLY   1           2HA      GLY   1  19.202 -22.968 -13.483
    4    H    SER   2           H        SER   2  19.944 -24.921 -12.840
    5    HA   SER   2           HA       SER   2  20.629 -25.914 -10.450
    6    HB2  SER   2           1HB      SER   2  22.432 -27.247 -11.610
    7    HB3  SER   2           2HB      SER   2  20.858 -27.287 -12.405
    8    HG   SER   2           HG       SER   2  21.838 -25.373 -13.616
    9    H    SER   3           H        SER   3  23.048 -24.274 -12.501
   10    HA   SER   3           HA       SER   3  24.447 -23.477 -10.031
   11    HB2  SER   3           1HB      SER   3  25.618 -24.276 -12.703
   12    HB3  SER   3           2HB      SER   3  26.553 -23.543 -11.400
   13    HG   SER   3           HG       SER   3  26.288 -25.330 -10.184
   14    H    GLY   4           H        GLY   4  25.106 -21.383  -9.842
   15    HA2  GLY   4           1HA      GLY   4  25.815 -19.364 -11.197
   16    HA3  GLY   4           2HA      GLY   4  24.281 -19.577 -12.028
   17    H    SER   5           H        SER   5  22.325 -19.595 -10.539
   18    HA   SER   5           HA       SER   5  20.974 -18.465  -9.099
   19    HB2  SER   5           1HB      SER   5  23.533 -18.392  -7.489
   20    HB3  SER   5           2HB      SER   5  21.980 -17.825  -6.874
   21    HG   SER   5           HG       SER   5  22.697 -20.134  -6.496
   22    H    SER   6           H        SER   6  21.943 -16.998 -11.221
   23    HA   SER   6           HA       SER   6  22.941 -14.458 -10.280
   24    HB2  SER   6           1HB      SER   6  23.343 -15.637 -12.593
   25    HB3  SER   6           2HB      SER   6  21.823 -14.858 -13.032
   26    HG   SER   6           HG       SER   6  23.930 -13.403 -11.846
   27    H    GLY   7           H        GLY   7  21.828 -12.430 -10.619
   28    HA2  GLY   7           1HA      GLY   7  19.896 -11.112 -10.915
   29    HA3  GLY   7           2HA      GLY   7  18.926 -12.577 -10.929
   30    H    SER   8           H        SER   8  19.962  -9.940  -9.098
   31    HA   SER   8           HA       SER   8  19.333 -11.211  -6.543
   32    HB2  SER   8           1HB      SER   8  20.318  -8.405  -7.118
   33    HB3  SER   8           2HB      SER   8  20.162  -9.143  -5.524
   34    HG   SER   8           HG       SER   8  21.610 -10.747  -7.098
   35    HA   PRO   9           HA       PRO   9  15.198  -9.686  -6.518
   36    HB2  PRO   9           1HB      PRO   9  14.733  -9.835  -3.848
   37    HB3  PRO   9           2HB      PRO   9  14.796 -11.259  -4.893
   38    HG2  PRO   9           1HG      PRO   9  16.909 -10.133  -3.096
   39    HG3  PRO   9           2HG      PRO   9  16.432 -11.824  -3.339
   40    HD2  PRO   9           1HD      PRO   9  18.616 -10.743  -4.519
   41    HD3  PRO   9           2HD      PRO   9  17.650 -12.019  -5.286
   42    H    GLU  10           H        GLU  10  17.219  -8.436  -3.850
   43    HA   GLU  10           HA       GLU  10  17.359  -6.374  -2.889
   44    HB2  GLU  10           1HB      GLU  10  17.245  -5.894  -5.815
   45    HB3  GLU  10           2HB      GLU  10  17.018  -4.493  -4.777
   46    HG2  GLU  10           1HG      GLU  10  19.160  -5.253  -3.603
   47    HG3  GLU  10           2HG      GLU  10  19.405  -6.284  -5.011
   48    H    GLY  11           H        GLY  11  14.838  -7.560  -2.638
   49    HA2  GLY  11           1HA      GLY  11  12.725  -5.798  -3.353
   50    HA3  GLY  11           2HA      GLY  11  12.638  -7.086  -2.162
   51    H    GLN  12           H        GLN  12  12.118  -3.937  -2.483
   52    HA   GLN  12           HA       GLN  12  13.282  -3.145   0.085
   53    HB2  GLN  12           1HB      GLN  12  12.427  -0.855  -0.588
   54    HB3  GLN  12           2HB      GLN  12  13.707  -1.526  -1.589
   55    HG2  GLN  12           1HG      GLN  12  12.096  -2.167  -3.276
   56    HG3  GLN  12           2HG      GLN  12  10.774  -1.592  -2.261
   57   HE21  GLN  12          1HE2      GLN  12  10.179  -0.229  -4.021
   58   HE22  GLN  12          2HE2      GLN  12  11.011   1.260  -4.294
   59    H    LYS  13           H        LYS  13  12.057  -3.699   1.768
   60    HA   LYS  13           HA       LYS  13   9.246  -4.065   1.643
   61    HB2  LYS  13           1HB      LYS  13   9.463  -4.114   4.184
   62    HB3  LYS  13           2HB      LYS  13  10.377  -5.320   3.287
   63    HG2  LYS  13           1HG      LYS  13  12.405  -4.305   3.731
   64    HG3  LYS  13           2HG      LYS  13  11.663  -2.739   4.068
   65    HD2  LYS  13           1HD      LYS  13  12.128  -3.398   6.203
   66    HD3  LYS  13           2HD      LYS  13  10.525  -4.117   6.026
   67    HE2  LYS  13           1HE      LYS  13  11.960  -6.142   5.086
   68    HE3  LYS  13           2HE      LYS  13  13.199  -5.409   6.103
   69    HZ1  LYS  13           3HZ      LYS  13  12.009  -5.825   8.006
   70    HZ2  LYS  13           1HZ      LYS  13  11.612  -7.185   7.082
   71    HZ3  LYS  13           2HZ      LYS  13  10.519  -5.900   7.209
   72    H    VAL  14           H        VAL  14   7.940  -2.393   1.229
   73    HA   VAL  14           HA       VAL  14   8.082  -0.074   3.016
   74    HB   VAL  14           HB       VAL  14   9.177   0.770   1.081
   75   HG11  VAL  14          1HG1      VAL  14   6.890  -0.066  -0.674
   76   HG12  VAL  14          2HG1      VAL  14   8.509   0.459  -1.142
   77   HG13  VAL  14          3HG1      VAL  14   8.275  -1.120  -0.389
   78   HG21  VAL  14          3HG2      VAL  14   7.392   2.374   0.165
   79   HG22  VAL  14          1HG2      VAL  14   6.297   1.580   1.297
   80   HG23  VAL  14          2HG2      VAL  14   7.730   2.415   1.895
   81    H    ASP  15           H        ASP  15   6.220  -0.305   4.095
   82    HA   ASP  15           HA       ASP  15   4.002  -0.548   4.550
   83    HB2  ASP  15           1HB      ASP  15   3.959   0.864   1.893
   84    HB3  ASP  15           2HB      ASP  15   2.467   0.456   2.736
   85    H    HIS  16           H        HIS  16   5.086  -2.899   3.776
   86    HA   HIS  16           HA       HIS  16   3.580  -4.103   1.638
   87    HB2  HIS  16           1HB      HIS  16   5.642  -5.043   3.589
   88    HB3  HIS  16           2HB      HIS  16   4.651  -6.240   2.759
   89    HD1  HIS  16           1HD      HIS  16   6.229  -3.072   1.368
   90    HD2  HIS  16           2HD      HIS  16   6.300  -7.192   0.832
   91    HE1  HIS  16           1HE      HIS  16   7.702  -3.465  -0.633
   92    HE2  HIS  16           2HE      HIS  16   7.661  -5.958  -0.989
   93    H    CYS  17           H        CYS  17   1.681  -5.116   1.770
   94    HA   CYS  17           HA       CYS  17   0.043  -4.958   4.019
   95    HB2  CYS  17           1HB      CYS  17  -0.691  -5.299   1.629
   96    HB3  CYS  17           2HB      CYS  17  -0.232  -6.990   1.800
   97    H    ALA  18           H        ALA  18   0.015  -6.057   5.857
   98    HA   ALA  18           HA       ALA  18   1.765  -8.245   6.339
   99    HB1  ALA  18           3HB      ALA  18   1.254  -7.969   8.528
  100    HB2  ALA  18           1HB      ALA  18   0.647  -6.420   7.941
  101    HB3  ALA  18           2HB      ALA  18  -0.469  -7.759   8.216
  102    H    ARG  19           H        ARG  19  -1.089  -8.156   4.703
  103    HA   ARG  19           HA       ARG  19  -2.020 -10.772   5.628
  104    HB2  ARG  19           1HB      ARG  19  -3.744  -9.089   5.391
  105    HB3  ARG  19           2HB      ARG  19  -3.247  -8.762   3.736
  106    HG2  ARG  19           1HG      ARG  19  -3.999 -10.921   3.018
  107    HG3  ARG  19           2HG      ARG  19  -4.333 -11.403   4.683
  108    HD2  ARG  19           1HD      ARG  19  -5.994  -9.543   4.806
  109    HD3  ARG  19           2HD      ARG  19  -5.735  -9.267   3.084
  110    HE   ARG  19           HE       ARG  19  -7.067 -11.068   2.645
  111   HH11  ARG  19          2HH1      ARG  19  -5.994 -11.247   5.952
  112   HH12  ARG  19          1HH1      ARG  19  -6.992 -12.609   6.339
  113   HH21  ARG  19          2HH2      ARG  19  -8.385 -12.862   3.142
  114   HH22  ARG  19          1HH2      ARG  19  -8.351 -13.528   4.739
  115    H    HIS  20           H        HIS  20  -0.947  -9.121   2.679
  116    HA   HIS  20           HA       HIS  20  -0.492 -11.768   1.463
  117    HB2  HIS  20           1HB      HIS  20  -0.915  -9.206  -0.073
  118    HB3  HIS  20           2HB      HIS  20  -0.946 -10.855  -0.689
  119    HD2  HIS  20           2HD      HIS  20  -3.330 -12.288  -0.130
  120    HE1  HIS  20           1HE      HIS  20  -5.494  -8.868   1.141
  121    HE2  HIS  20           2HE      HIS  20  -5.625 -11.314   0.557
  122    H    GLY  21           H        GLY  21   0.788  -8.562   2.069
  123    HA2  GLY  21           1HA      GLY  21   3.123  -8.234   2.465
  124    HA3  GLY  21           2HA      GLY  21   3.461  -9.584   1.393
  125    H    GLU  22           H        GLU  22   1.226  -8.157  -0.328
  126    HA   GLU  22           HA       GLU  22   2.980  -7.036  -2.206
  127    HB2  GLU  22           1HB      GLU  22   0.017  -7.020  -1.826
  128    HB3  GLU  22           2HB      GLU  22   0.721  -5.926  -3.008
  129    HG2  GLU  22           1HG      GLU  22  -0.089  -8.300  -3.711
  130    HG3  GLU  22           2HG      GLU  22   1.389  -7.619  -4.390
  131    H    LYS  23           H        LYS  23   3.475  -4.924  -2.757
  132    HA   LYS  23           HA       LYS  23   3.768  -3.091  -0.642
  133    HB2  LYS  23           1HB      LYS  23   4.030  -2.801  -3.632
  134    HB3  LYS  23           2HB      LYS  23   4.348  -1.470  -2.527
  135    HG2  LYS  23           1HG      LYS  23   6.202  -2.542  -1.587
  136    HG3  LYS  23           2HG      LYS  23   5.738  -4.112  -2.246
  137    HD2  LYS  23           1HD      LYS  23   6.566  -3.639  -4.319
  138    HD3  LYS  23           2HD      LYS  23   6.249  -1.909  -4.170
  139    HE2  LYS  23           1HE      LYS  23   8.184  -1.546  -2.912
  140    HE3  LYS  23           2HE      LYS  23   8.351  -3.253  -2.506
  141    HZ1  LYS  23           3HZ      LYS  23   8.443  -2.763  -5.329
  142    HZ2  LYS  23           1HZ      LYS  23   9.511  -3.636  -4.349
  143    HZ3  LYS  23           2HZ      LYS  23   9.674  -1.959  -4.492
  144    H    LEU  24           H        LEU  24   2.417  -1.642   0.192
  145    HA   LEU  24           HA       LEU  24  -0.204  -1.292  -0.984
  146    HB2  LEU  24           1HB      LEU  24   0.994  -0.136   1.529
  147    HB3  LEU  24           2HB      LEU  24  -0.697  -0.012   1.050
  148    HG   LEU  24           HG       LEU  24   0.580  -2.692   1.462
  149   HD11  LEU  24          1HD1      LEU  24  -0.777  -2.214   3.784
  150   HD12  LEU  24          2HD1      LEU  24   0.017  -0.667   3.490
  151   HD13  LEU  24          3HD1      LEU  24   0.975  -2.144   3.592
  152   HD21  LEU  24          3HD2      LEU  24  -1.512  -3.489   1.312
  153   HD22  LEU  24          1HD2      LEU  24  -1.862  -1.950   0.525
  154   HD23  LEU  24          2HD2      LEU  24  -2.196  -2.156   2.244
  155    H    LEU  25           H        LEU  25  -0.198   0.031  -2.715
  156    HA   LEU  25           HA       LEU  25   1.010   2.698  -2.375
  157    HB2  LEU  25           1HB      LEU  25   0.526   1.233  -4.963
  158    HB3  LEU  25           2HB      LEU  25   1.325   2.792  -4.768
  159    HG   LEU  25           HG       LEU  25   2.404   0.204  -3.661
  160   HD11  LEU  25          1HD1      LEU  25   2.425  -0.081  -6.004
  161   HD12  LEU  25          2HD1      LEU  25   4.051   0.439  -5.562
  162   HD13  LEU  25          3HD1      LEU  25   2.922   1.589  -6.279
  163   HD21  LEU  25          3HD2      LEU  25   3.168   2.242  -2.536
  164   HD22  LEU  25          1HD2      LEU  25   3.682   2.903  -4.088
  165   HD23  LEU  25          2HD2      LEU  25   4.472   1.467  -3.437
  166    H    LEU  26           H        LEU  26  -1.845   1.158  -2.306
  167    HA   LEU  26           HA       LEU  26  -3.299   3.372  -3.596
  168    HB2  LEU  26           1HB      LEU  26  -4.354   0.629  -2.933
  169    HB3  LEU  26           2HB      LEU  26  -5.172   1.887  -3.857
  170    HG   LEU  26           HG       LEU  26  -2.624   0.579  -4.785
  171   HD11  LEU  26          1HD1      LEU  26  -4.871  -0.303  -6.273
  172   HD12  LEU  26          2HD1      LEU  26  -5.189  -0.612  -4.566
  173   HD13  LEU  26          3HD1      LEU  26  -3.734  -1.260  -5.323
  174   HD21  LEU  26          3HD2      LEU  26  -4.190   2.769  -5.694
  175   HD22  LEU  26          1HD2      LEU  26  -4.336   1.459  -6.865
  176   HD23  LEU  26          2HD2      LEU  26  -2.742   2.070  -6.421
  177    H    PHE  27           H        PHE  27  -5.286   4.073  -2.546
  178    HA   PHE  27           HA       PHE  27  -5.356   3.560   0.346
  179    HB2  PHE  27           1HB      PHE  27  -4.159   5.712  -0.170
  180    HB3  PHE  27           2HB      PHE  27  -5.659   6.310  -0.872
  181    HD1  PHE  27           1HD      PHE  27  -7.645   6.644   0.571
  182    HD2  PHE  27           2HD      PHE  27  -3.825   5.662   2.171
  183    HE1  PHE  27           1HE      PHE  27  -8.386   7.398   2.792
  184    HE2  PHE  27           2HE      PHE  27  -4.560   6.414   4.395
  185    HZ   PHE  27           HZ       PHE  27  -6.843   7.283   4.708
  186    H    CYS  28           H        CYS  28  -7.278   2.739   0.807
  187    HA   CYS  28           HA       CYS  28  -9.540   3.082  -0.922
  188    HB2  CYS  28           1HB      CYS  28  -8.964   1.006   0.456
  189    HB3  CYS  28           2HB      CYS  28  -9.591   1.886   1.846
  190    H    GLN  29           H        GLN  29 -11.267   4.394  -0.696
  191    HA   GLN  29           HA       GLN  29 -11.093   6.492   1.305
  192    HB2  GLN  29           1HB      GLN  29 -12.692   6.085  -1.197
  193    HB3  GLN  29           2HB      GLN  29 -13.199   7.290  -0.020
  194    HG2  GLN  29           1HG      GLN  29 -10.383   7.282  -0.999
  195    HG3  GLN  29           2HG      GLN  29 -11.662   7.953  -2.011
  196   HE21  GLN  29          1HE2      GLN  29 -12.252   9.984  -1.675
  197   HE22  GLN  29          2HE2      GLN  29 -11.820  10.944  -0.306
  198    H    GLU  30           H        GLU  30 -13.281   3.885   0.358
  199    HA   GLU  30           HA       GLU  30 -15.401   4.466   2.080
  200    HB2  GLU  30           1HB      GLU  30 -14.402   1.801   1.065
  201    HB3  GLU  30           2HB      GLU  30 -15.931   2.026   1.903
  202    HG2  GLU  30           1HG      GLU  30 -16.278   3.836   0.001
  203    HG3  GLU  30           2HG      GLU  30 -15.141   2.790  -0.847
  204    H    ASP  31           H        ASP  31 -12.442   2.611   2.622
  205    HA   ASP  31           HA       ASP  31 -13.185   2.265   5.440
  206    HB2  ASP  31           1HB      ASP  31 -11.053   0.951   3.748
  207    HB3  ASP  31           2HB      ASP  31 -11.211   0.700   5.484
  208    H    GLY  32           H        GLY  32 -11.030   3.969   3.344
  209    HA2  GLY  32           1HA      GLY  32  -9.620   5.735   3.808
  210    HA3  GLY  32           2HA      GLY  32 -10.132   5.639   5.486
  211    H    LYS  33           H        LYS  33  -8.811   2.877   3.820
  212    HA   LYS  33           HA       LYS  33  -6.263   3.237   5.245
  213    HB2  LYS  33           1HB      LYS  33  -6.295   0.732   5.629
  214    HB3  LYS  33           2HB      LYS  33  -7.423   1.673   6.595
  215    HG2  LYS  33           1HG      LYS  33  -8.856   0.062   5.950
  216    HG3  LYS  33           2HG      LYS  33  -9.010   1.086   4.520
  217    HD2  LYS  33           1HD      LYS  33  -8.676  -1.120   3.726
  218    HD3  LYS  33           2HD      LYS  33  -7.143  -0.276   3.498
  219    HE2  LYS  33           1HE      LYS  33  -6.499  -2.317   4.406
  220    HE3  LYS  33           2HE      LYS  33  -6.521  -1.243   5.804
  221    HZ1  LYS  33           3HZ      LYS  33  -7.602  -3.469   6.117
  222    HZ2  LYS  33           1HZ      LYS  33  -8.822  -2.956   5.063
  223    HZ3  LYS  33           2HZ      LYS  33  -8.564  -2.137   6.521
  224    H    VAL  34           H        VAL  34  -4.461   2.087   4.329
  225    HA   VAL  34           HA       VAL  34  -4.511   2.100   1.461
  226    HB   VAL  34           HB       VAL  34  -2.108   1.189   1.802
  227   HG11  VAL  34          1HG1      VAL  34  -2.817   3.901   2.916
  228   HG12  VAL  34          2HG1      VAL  34  -1.275   3.417   2.208
  229   HG13  VAL  34          3HG1      VAL  34  -2.719   3.511   1.199
  230   HG21  VAL  34          3HG2      VAL  34  -1.144   1.355   3.937
  231   HG22  VAL  34          1HG2      VAL  34  -2.529   2.232   4.587
  232   HG23  VAL  34          2HG2      VAL  34  -2.674   0.518   4.200
  233    H    ILE  35           H        ILE  35  -4.552   0.419   0.068
  234    HA   ILE  35           HA       ILE  35  -4.464  -2.305   1.169
  235    HB   ILE  35           HB       ILE  35  -6.333  -3.010  -0.171
  236   HG12  ILE  35          1HG1      ILE  35  -6.715  -0.149  -1.053
  237   HG13  ILE  35          2HG1      ILE  35  -5.848  -1.334  -2.022
  238   HG21  ILE  35          1HG2      ILE  35  -6.964  -0.510   1.391
  239   HG22  ILE  35          2HG2      ILE  35  -8.152  -1.707   0.879
  240   HG23  ILE  35          3HG2      ILE  35  -6.884  -2.157   2.018
  241   HD11  ILE  35          3HD1      ILE  35  -7.878  -1.606  -2.949
  242   HD12  ILE  35          1HD1      ILE  35  -8.108  -2.694  -1.580
  243   HD13  ILE  35          2HD1      ILE  35  -8.732  -1.045  -1.512
  244    H    CYS  36           H        CYS  36  -3.698  -3.906  -0.225
  245    HA   CYS  36           HA       CYS  36  -2.095  -2.881  -2.441
  246    HB2  CYS  36           1HB      CYS  36  -0.981  -5.087  -2.362
  247    HB3  CYS  36           2HB      CYS  36  -0.937  -4.263  -0.806
  248    H    TRP  37           H        TRP  37  -1.829  -4.715  -4.235
  249    HA   TRP  37           HA       TRP  37  -4.086  -4.673  -5.810
  250    HB2  TRP  37           1HB      TRP  37  -2.302  -7.040  -6.083
  251    HB3  TRP  37           2HB      TRP  37  -2.902  -5.934  -7.315
  252    HD1  TRP  37           HD       TRP  37   0.254  -6.908  -6.232
  253    HE1  TRP  37           1HE      TRP  37   1.998  -5.016  -6.247
  254    HE3  TRP  37           3HE      TRP  37  -2.906  -2.893  -6.417
  255    HZ2  TRP  37           2HZ      TRP  37   2.031  -2.195  -6.327
  256    HZ3  TRP  37           3HZ      TRP  37  -1.937  -0.632  -6.460
  257    HH2  TRP  37           HH       TRP  37   0.480  -0.292  -6.415
  258    H    LEU  38           H        LEU  38  -2.924  -7.428  -3.866
  259    HA   LEU  38           HA       LEU  38  -4.979  -9.201  -4.384
  260    HB2  LEU  38           1HB      LEU  38  -3.081  -8.795  -2.144
  261    HB3  LEU  38           2HB      LEU  38  -4.459  -9.853  -1.850
  262    HG   LEU  38           HG       LEU  38  -2.416 -11.070  -2.513
  263   HD11  LEU  38          1HD1      LEU  38  -3.913 -12.561  -3.183
  264   HD12  LEU  38          2HD1      LEU  38  -3.813 -11.870  -4.802
  265   HD13  LEU  38          3HD1      LEU  38  -5.034 -11.289  -3.670
  266   HD21  LEU  38          3HD2      LEU  38  -1.163  -9.950  -4.017
  267   HD22  LEU  38          1HD2      LEU  38  -2.558  -9.168  -4.760
  268   HD23  LEU  38          2HD2      LEU  38  -2.151 -10.831  -5.183
  269    H    CYS  39           H        CYS  39  -4.811  -6.688  -1.887
  270    HA   CYS  39           HA       CYS  39  -7.274  -7.277  -0.656
  271    HB2  CYS  39           1HB      CYS  39  -5.600  -4.774  -0.788
  272    HB3  CYS  39           2HB      CYS  39  -7.116  -4.834   0.104
  273    H    GLU  40           H        GLU  40  -6.456  -4.748  -3.035
  274    HA   GLU  40           HA       GLU  40  -8.962  -3.669  -3.408
  275    HB2  GLU  40           1HB      GLU  40  -6.985  -2.695  -4.418
  276    HB3  GLU  40           2HB      GLU  40  -6.779  -4.101  -5.452
  277    HG2  GLU  40           1HG      GLU  40  -9.239  -2.391  -5.561
  278    HG3  GLU  40           2HG      GLU  40  -7.791  -2.020  -6.494
  279    H    ARG  41           H        ARG  41  -7.534  -6.470  -5.057
  280    HA   ARG  41           HA       ARG  41  -9.958  -6.979  -6.542
  281    HB2  ARG  41           1HB      ARG  41  -7.440  -8.630  -6.269
  282    HB3  ARG  41           2HB      ARG  41  -8.747  -8.943  -7.402
  283    HG2  ARG  41           1HG      ARG  41  -8.247  -6.496  -8.185
  284    HG3  ARG  41           2HG      ARG  41  -6.679  -6.804  -7.435
  285    HD2  ARG  41           1HD      ARG  41  -6.315  -8.711  -8.846
  286    HD3  ARG  41           2HD      ARG  41  -7.952  -8.600  -9.493
  287    HE   ARG  41           HE       ARG  41  -7.272  -6.878 -10.871
  288   HH11  ARG  41          2HH1      ARG  41  -4.763  -7.652  -8.585
  289   HH12  ARG  41          1HH1      ARG  41  -3.556  -6.706  -9.391
  290   HH21  ARG  41          2HH2      ARG  41  -5.691  -5.629 -11.942
  291   HH22  ARG  41          1HH2      ARG  41  -4.085  -5.555 -11.300
  292    H    SER  42           H        SER  42  -9.693  -7.142  -3.480
  293    HA   SER  42           HA       SER  42 -10.663  -9.896  -3.131
  294    HB2  SER  42           1HB      SER  42  -8.718  -9.138  -1.732
  295    HB3  SER  42           2HB      SER  42  -9.791  -7.962  -0.974
  296    HG   SER  42           HG       SER  42 -11.109 -10.129  -0.744
  297    H    GLN  43           H        GLN  43 -12.683 -10.306  -2.395
  298    HA   GLN  43           HA       GLN  43 -14.766  -8.583  -2.805
  299    HB2  GLN  43           1HB      GLN  43 -14.581 -10.851  -0.819
  300    HB3  GLN  43           2HB      GLN  43 -16.083 -10.048  -1.254
  301    HG2  GLN  43           1HG      GLN  43 -15.722 -10.722  -3.601
  302    HG3  GLN  43           2HG      GLN  43 -14.284 -11.607  -3.093
  303   HE21  GLN  43          1HE2      GLN  43 -16.006 -13.090  -4.346
  304   HE22  GLN  43          2HE2      GLN  43 -16.931 -14.088  -3.281
  305    H    GLU  44           H        GLU  44 -12.540  -8.564  -0.203
  306    HA   GLU  44           HA       GLU  44 -14.124  -7.307   1.773
  307    HB2  GLU  44           1HB      GLU  44 -11.132  -7.130   1.378
  308    HB3  GLU  44           2HB      GLU  44 -12.008  -6.748   2.853
  309    HG2  GLU  44           1HG      GLU  44 -12.841  -9.205   2.670
  310    HG3  GLU  44           2HG      GLU  44 -11.434  -9.402   1.627
  311    H    HIS  45           H        HIS  45 -11.932  -6.018  -0.702
  312    HA   HIS  45           HA       HIS  45 -13.098  -3.353  -0.223
  313    HB2  HIS  45           1HB      HIS  45 -10.323  -4.078  -1.181
  314    HB3  HIS  45           2HB      HIS  45 -10.963  -2.438  -1.149
  315    HD2  HIS  45           2HD      HIS  45  -9.149  -4.877   1.139
  316    HE1  HIS  45           1HE      HIS  45 -10.576  -1.731   3.602
  317    HE2  HIS  45           2HE      HIS  45  -9.014  -3.700   3.438
  318    H    ARG  46           H        ARG  46 -13.671  -5.742  -2.119
  319    HA   ARG  46           HA       ARG  46 -13.146  -4.910  -4.752
  320    HB2  ARG  46           1HB      ARG  46 -13.926  -7.200  -3.968
  321    HB3  ARG  46           2HB      ARG  46 -15.545  -6.518  -3.886
  322    HG2  ARG  46           1HG      ARG  46 -14.969  -5.813  -6.374
  323    HG3  ARG  46           2HG      ARG  46 -13.887  -7.201  -6.243
  324    HD2  ARG  46           1HD      ARG  46 -16.069  -8.316  -5.221
  325    HD3  ARG  46           2HD      ARG  46 -16.855  -7.083  -6.208
  326    HE   ARG  46           HE       ARG  46 -15.210  -8.155  -7.988
  327   HH11  ARG  46          2HH1      ARG  46 -17.263  -9.686  -5.630
  328   HH12  ARG  46          1HH1      ARG  46 -17.514 -11.112  -6.583
  329   HH21  ARG  46          2HH2      ARG  46 -15.532 -10.027  -9.251
  330   HH22  ARG  46          1HH2      ARG  46 -16.529 -11.305  -8.642
  331    H    GLY  47           H        GLY  47 -13.902  -3.225  -5.843
  332    HA2  GLY  47           1HA      GLY  47 -15.672  -1.944  -6.774
  333    HA3  GLY  47           2HA      GLY  47 -16.660  -2.343  -5.377
  334    H    HIS  48           H        HIS  48 -14.352  -1.693  -3.573
  335    HA   HIS  48           HA       HIS  48 -15.058   0.969  -3.001
  336    HB2  HIS  48           1HB      HIS  48 -12.573  -0.511  -2.116
  337    HB3  HIS  48           2HB      HIS  48 -13.270   0.912  -1.348
  338    HD2  HIS  48           2HD      HIS  48 -16.157  -1.323  -2.115
  339    HE1  HIS  48           1HE      HIS  48 -14.829  -2.506   1.737
  340    HE2  HIS  48           2HE      HIS  48 -16.638  -2.734  -0.001
  341    H    HIS  49           H        HIS  49 -14.247   2.887  -3.618
  342    HA   HIS  49           HA       HIS  49 -12.469   2.981  -5.859
  343    HB2  HIS  49           1HB      HIS  49 -13.802   5.101  -4.180
  344    HB3  HIS  49           2HB      HIS  49 -12.683   5.504  -5.479
  345    HD1  HIS  49           1HD      HIS  49 -16.169   4.547  -4.823
  346    HD2  HIS  49           2HD      HIS  49 -13.620   4.746  -8.097
  347    HE1  HIS  49           1HE      HIS  49 -17.660   4.427  -6.844
  348    HE2  HIS  49           2HE      HIS  49 -16.089   4.463  -8.813
  349    H    THR  50           H        THR  50 -10.335   2.887  -5.748
  350    HA   THR  50           HA       THR  50  -9.002   3.868  -3.309
  351    HB   THR  50           HB       THR  50  -7.112   2.353  -3.957
  352    HG1  THR  50           1HG      THR  50  -7.677   0.677  -5.475
  353   HG21  THR  50          3HG2      THR  50  -9.791   1.490  -3.068
  354   HG22  THR  50          1HG2      THR  50  -8.224   1.313  -2.280
  355   HG23  THR  50          2HG2      THR  50  -8.695   0.202  -3.567
  356    H    PHE  51           H        PHE  51  -6.986   4.956  -3.544
  357    HA   PHE  51           HA       PHE  51  -6.330   5.912  -6.232
  358    HB2  PHE  51           1HB      PHE  51  -6.533   7.825  -3.910
  359    HB3  PHE  51           2HB      PHE  51  -6.346   8.207  -5.618
  360    HD1  PHE  51           1HD      PHE  51  -8.715   6.526  -3.286
  361    HD2  PHE  51           2HD      PHE  51  -8.201   8.818  -6.836
  362    HE1  PHE  51           1HE      PHE  51 -11.157   6.734  -3.502
  363    HE2  PHE  51           2HE      PHE  51 -10.642   9.031  -7.056
  364    HZ   PHE  51           HZ       PHE  51 -12.124   7.988  -5.387
  365    HA   PRO  52           HA       PRO  52  -2.182   5.272  -4.933
  366    HB2  PRO  52           1HB      PRO  52  -0.897   7.006  -6.579
  367    HB3  PRO  52           2HB      PRO  52  -1.602   5.488  -7.146
  368    HG2  PRO  52           1HG      PRO  52  -2.709   8.265  -7.300
  369    HG3  PRO  52           2HG      PRO  52  -2.707   6.991  -8.534
  370    HD2  PRO  52           1HD      PRO  52  -4.880   7.547  -7.016
  371    HD3  PRO  52           2HD      PRO  52  -4.516   5.910  -7.600
  372    H    THR  53           H        THR  53  -2.494   6.171  -2.793
  373    HA   THR  53           HA       THR  53  -2.281   8.922  -2.214
  374    HB   THR  53           HB       THR  53  -3.205   7.458  -0.550
  375    HG1  THR  53           1HG      THR  53  -0.665   8.322   0.409
  376   HG21  THR  53          3HG2      THR  53  -0.547   6.058  -0.714
  377   HG22  THR  53          1HG2      THR  53  -2.158   5.380  -0.937
  378   HG23  THR  53          2HG2      THR  53  -1.623   5.870   0.670
  379    H    SER  54           H        SER  54   0.120   6.361  -2.514
  380    HA   SER  54           HA       SER  54   2.279   8.125  -1.710
  381    HB2  SER  54           1HB      SER  54   3.718   6.189  -1.985
  382    HB3  SER  54           2HB      SER  54   2.276   5.711  -1.090
  383    HG   SER  54           HG       SER  54   2.344   4.186  -2.589
  384    H    GLY  55           H        GLY  55   1.297   6.368  -4.648
  385    HA2  GLY  55           1HA      GLY  55   3.331   7.288  -6.330
  386    HA3  GLY  55           2HA      GLY  55   1.742   6.763  -6.864
  387    HA   PRO  56           HA       PRO  56   2.291  11.300  -7.805
  388    HB2  PRO  56           1HB      PRO  56   1.641  11.100 -10.433
  389    HB3  PRO  56           2HB      PRO  56   3.290  10.888  -9.832
  390    HG2  PRO  56           1HG      PRO  56   1.257   8.814 -10.560
  391    HG3  PRO  56           2HG      PRO  56   2.992   8.857 -10.925
  392    HD2  PRO  56           1HD      PRO  56   1.963   7.368  -8.911
  393    HD3  PRO  56           2HD      PRO  56   3.580   8.097  -8.830
  394    H    SER  57           H        SER  57   0.641  12.794  -8.073
  395    HA   SER  57           HA       SER  57  -2.055  11.709  -7.807
  396    HB2  SER  57           1HB      SER  57  -1.079  14.559  -7.494
  397    HB3  SER  57           2HB      SER  57  -2.685  13.958  -7.079
  398    HG   SER  57           HG       SER  57  -1.089  12.390  -5.800
  399    H    SER  58           H        SER  58  -0.387  14.224  -9.702
  400    HA   SER  58           HA       SER  58  -2.603  14.550 -11.493
  401    HB2  SER  58           1HB      SER  58  -1.193  16.120 -12.669
  402    HB3  SER  58           2HB      SER  58  -0.979  16.374 -10.938
  403    HG   SER  58           HG       SER  58   1.060  16.204 -11.482
  404    H    GLY  59           H        GLY  59  -2.678  14.005 -13.708
  405    HA2  GLY  59           1HA      GLY  59  -2.274  12.730 -15.582
  406    HA3  GLY  59           2HA      GLY  59  -0.652  12.443 -14.968
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -2.007 -21.212   7.247
    2    HA2  GLY   1           1HA      GLY   1   0.301 -20.775   7.571
    3    HA3  GLY   1           2HA      GLY   1  -0.490 -19.362   8.254
    4    H    SER   2           H        SER   2   1.449 -22.106   8.878
    5    HA   SER   2           HA       SER   2   1.087 -22.121  11.730
    6    HB2  SER   2           1HB      SER   2   1.717 -24.195  10.709
    7    HB3  SER   2           2HB      SER   2   3.105 -23.452   9.915
    8    HG   SER   2           HG       SER   2   2.928 -24.518  12.382
    9    H    SER   3           H        SER   3   3.859 -21.305   9.636
   10    HA   SER   3           HA       SER   3   4.545 -19.111  11.426
   11    HB2  SER   3           1HB      SER   3   6.873 -19.837  11.668
   12    HB3  SER   3           2HB      SER   3   5.777 -21.051  12.328
   13    HG   SER   3           HG       SER   3   5.979 -22.055  10.158
   14    H    GLY   4           H        GLY   4   5.714 -17.470  10.451
   15    HA2  GLY   4           1HA      GLY   4   6.307 -17.847   7.581
   16    HA3  GLY   4           2HA      GLY   4   5.467 -16.418   8.168
   17    H    SER   5           H        SER   5   7.558 -15.800   6.767
   18    HA   SER   5           HA       SER   5   9.981 -15.711   8.334
   19    HB2  SER   5           1HB      SER   5   9.760 -15.859   5.746
   20    HB3  SER   5           2HB      SER   5   9.525 -14.113   5.828
   21    HG   SER   5           HG       SER   5  11.768 -15.014   5.582
   22    H    SER   6           H        SER   6  11.004 -13.819   9.092
   23    HA   SER   6           HA       SER   6   9.159 -11.851  10.112
   24    HB2  SER   6           1HB      SER   6  10.956 -11.089  11.471
   25    HB3  SER   6           2HB      SER   6  11.124 -12.843  11.399
   26    HG   SER   6           HG       SER   6  12.722 -12.557   9.804
   27    H    GLY   7           H        GLY   7  11.903 -11.896   7.868
   28    HA2  GLY   7           1HA      GLY   7  10.879  -9.883   6.210
   29    HA3  GLY   7           2HA      GLY   7  11.979  -9.128   7.354
   30    H    SER   8           H        SER   8  12.254  -9.315   4.480
   31    HA   SER   8           HA       SER   8  14.590 -11.087   4.239
   32    HB2  SER   8           1HB      SER   8  14.271 -10.988   1.836
   33    HB3  SER   8           2HB      SER   8  12.740 -11.419   2.598
   34    HG   SER   8           HG       SER   8  13.323  -8.723   2.072
   35    HA   PRO   9           HA       PRO   9  17.090  -7.422   4.416
   36    HB2  PRO   9           1HB      PRO   9  19.450  -8.641   3.851
   37    HB3  PRO   9           2HB      PRO   9  18.669  -8.745   5.434
   38    HG2  PRO   9           1HG      PRO   9  18.657 -10.718   3.182
   39    HG3  PRO   9           2HG      PRO   9  18.850 -11.006   4.921
   40    HD2  PRO   9           1HD      PRO   9  16.503 -11.401   3.631
   41    HD3  PRO   9           2HD      PRO   9  16.585 -10.871   5.323
   42    H    GLU  10           H        GLU  10  16.584  -9.452   1.692
   43    HA   GLU  10           HA       GLU  10  17.911  -7.499  -0.068
   44    HB2  GLU  10           1HB      GLU  10  18.078  -9.243  -1.733
   45    HB3  GLU  10           2HB      GLU  10  18.765  -9.820  -0.221
   46    HG2  GLU  10           1HG      GLU  10  17.527 -11.619  -1.018
   47    HG3  GLU  10           2HG      GLU  10  16.491 -10.889   0.206
   48    H    GLY  11           H        GLY  11  15.092  -7.668   1.184
   49    HA2  GLY  11           1HA      GLY  11  13.651  -7.213  -1.355
   50    HA3  GLY  11           2HA      GLY  11  12.904  -8.049  -0.002
   51    H    GLN  12           H        GLN  12  13.342  -5.086  -1.510
   52    HA   GLN  12           HA       GLN  12  13.366  -3.223   0.531
   53    HB2  GLN  12           1HB      GLN  12  12.064  -1.765  -1.074
   54    HB3  GLN  12           2HB      GLN  12  13.557  -2.448  -1.703
   55    HG2  GLN  12           1HG      GLN  12  12.352  -4.103  -2.942
   56    HG3  GLN  12           2HG      GLN  12  10.831  -3.617  -2.195
   57   HE21  GLN  12          1HE2      GLN  12  12.968  -3.141  -4.765
   58   HE22  GLN  12          2HE2      GLN  12  12.194  -1.772  -5.481
   59    H    LYS  13           H        LYS  13  12.128  -3.218   2.285
   60    HA   LYS  13           HA       LYS  13   9.319  -4.028   2.066
   61    HB2  LYS  13           1HB      LYS  13   9.414  -4.056   4.576
   62    HB3  LYS  13           2HB      LYS  13  10.484  -5.207   3.786
   63    HG2  LYS  13           1HG      LYS  13  12.362  -3.647   4.116
   64    HG3  LYS  13           2HG      LYS  13  11.274  -2.557   4.979
   65    HD2  LYS  13           1HD      LYS  13  12.148  -3.691   6.756
   66    HD3  LYS  13           2HD      LYS  13  10.788  -4.752   6.383
   67    HE2  LYS  13           1HE      LYS  13  12.205  -6.265   5.195
   68    HE3  LYS  13           2HE      LYS  13  13.564  -5.145   5.280
   69    HZ1  LYS  13           3HZ      LYS  13  14.090  -6.504   6.998
   70    HZ2  LYS  13           1HZ      LYS  13  12.484  -6.916   7.335
   71    HZ3  LYS  13           2HZ      LYS  13  13.099  -5.426   7.846
   72    H    VAL  14           H        VAL  14   8.025  -2.375   1.565
   73    HA   VAL  14           HA       VAL  14   8.113   0.006   3.263
   74    HB   VAL  14           HB       VAL  14   9.321   0.815   1.397
   75   HG11  VAL  14          1HG1      VAL  14   8.572  -1.147  -0.067
   76   HG12  VAL  14          2HG1      VAL  14   7.206  -0.123  -0.514
   77   HG13  VAL  14          3HG1      VAL  14   8.854   0.404  -0.858
   78   HG21  VAL  14          3HG2      VAL  14   7.750   2.449   0.370
   79   HG22  VAL  14          1HG2      VAL  14   6.417   1.579   1.130
   80   HG23  VAL  14          2HG2      VAL  14   7.639   2.367   2.129
   81    H    ASP  15           H        ASP  15   6.195  -0.302   4.251
   82    HA   ASP  15           HA       ASP  15   3.949  -0.474   4.574
   83    HB2  ASP  15           1HB      ASP  15   4.019   0.836   1.857
   84    HB3  ASP  15           2HB      ASP  15   2.515   0.535   2.723
   85    H    HIS  16           H        HIS  16   5.060  -2.847   3.913
   86    HA   HIS  16           HA       HIS  16   3.666  -4.084   1.717
   87    HB2  HIS  16           1HB      HIS  16   5.605  -5.010   3.801
   88    HB3  HIS  16           2HB      HIS  16   4.669  -6.204   2.906
   89    HD1  HIS  16           1HD      HIS  16   6.233  -3.036   1.527
   90    HD2  HIS  16           2HD      HIS  16   6.556  -7.165   1.193
   91    HE1  HIS  16           1HE      HIS  16   7.865  -3.434  -0.344
   92    HE2  HIS  16           2HE      HIS  16   7.979  -5.939  -0.584
   93    H    CYS  17           H        CYS  17   1.741  -5.045   1.770
   94    HA   CYS  17           HA       CYS  17  -0.003  -4.854   3.928
   95    HB2  CYS  17           1HB      CYS  17  -0.615  -5.230   1.510
   96    HB3  CYS  17           2HB      CYS  17  -0.179  -6.922   1.733
   97    H    ALA  18           H        ALA  18  -0.182  -5.944   5.766
   98    HA   ALA  18           HA       ALA  18   1.533  -8.149   6.359
   99    HB1  ALA  18           3HB      ALA  18   1.143  -6.797   8.197
  100    HB2  ALA  18           1HB      ALA  18  -0.585  -6.669   7.866
  101    HB3  ALA  18           2HB      ALA  18   0.082  -8.171   8.506
  102    H    ARG  19           H        ARG  19  -1.230  -8.035   4.600
  103    HA   ARG  19           HA       ARG  19  -2.283 -10.593   5.562
  104    HB2  ARG  19           1HB      ARG  19  -3.943  -8.865   5.212
  105    HB3  ARG  19           2HB      ARG  19  -3.375  -8.603   3.568
  106    HG2  ARG  19           1HG      ARG  19  -4.251 -10.644   2.820
  107    HG3  ARG  19           2HG      ARG  19  -4.460 -11.250   4.464
  108    HD2  ARG  19           1HD      ARG  19  -6.105  -9.340   4.792
  109    HD3  ARG  19           2HD      ARG  19  -6.042  -9.125   3.043
  110    HE   ARG  19           HE       ARG  19  -6.596 -11.792   3.457
  111   HH11  ARG  19          2HH1      ARG  19  -8.074  -8.743   4.255
  112   HH12  ARG  19          1HH1      ARG  19  -9.688  -9.372   4.235
  113   HH21  ARG  19          2HH2      ARG  19  -8.716 -12.632   3.426
  114   HH22  ARG  19          1HH2      ARG  19 -10.052 -11.584   3.764
  115    H    HIS  20           H        HIS  20  -1.040  -9.053   2.621
  116    HA   HIS  20           HA       HIS  20  -0.622 -11.742   1.489
  117    HB2  HIS  20           1HB      HIS  20  -0.916  -9.196  -0.107
  118    HB3  HIS  20           2HB      HIS  20  -0.930 -10.851  -0.708
  119    HD2  HIS  20           2HD      HIS  20  -3.371 -12.190  -0.467
  120    HE1  HIS  20           1HE      HIS  20  -5.535  -8.857   1.020
  121    HE2  HIS  20           2HE      HIS  20  -5.680 -11.234   0.200
  122    H    GLY  21           H        GLY  21   0.731  -8.547   2.024
  123    HA2  GLY  21           1HA      GLY  21   3.076  -8.339   2.549
  124    HA3  GLY  21           2HA      GLY  21   3.393  -9.673   1.450
  125    H    GLU  22           H        GLU  22   1.279  -8.168  -0.323
  126    HA   GLU  22           HA       GLU  22   3.155  -7.003  -2.069
  127    HB2  GLU  22           1HB      GLU  22   0.180  -7.098  -1.910
  128    HB3  GLU  22           2HB      GLU  22   0.911  -5.916  -2.986
  129    HG2  GLU  22           1HG      GLU  22   0.265  -8.254  -3.887
  130    HG3  GLU  22           2HG      GLU  22   1.788  -7.516  -4.379
  131    H    LYS  23           H        LYS  23   3.645  -4.873  -2.543
  132    HA   LYS  23           HA       LYS  23   3.758  -3.074  -0.390
  133    HB2  LYS  23           1HB      LYS  23   4.032  -2.453  -3.337
  134    HB3  LYS  23           2HB      LYS  23   4.611  -1.457  -2.007
  135    HG2  LYS  23           1HG      LYS  23   6.369  -2.857  -1.542
  136    HG3  LYS  23           2HG      LYS  23   5.570  -4.269  -2.238
  137    HD2  LYS  23           1HD      LYS  23   7.299  -3.701  -3.742
  138    HD3  LYS  23           2HD      LYS  23   5.807  -3.120  -4.486
  139    HE2  LYS  23           1HE      LYS  23   7.324  -1.255  -2.737
  140    HE3  LYS  23           2HE      LYS  23   7.981  -1.612  -4.334
  141    HZ1  LYS  23           3HZ      LYS  23   6.344   0.352  -4.022
  142    HZ2  LYS  23           1HZ      LYS  23   5.154  -0.850  -4.068
  143    HZ3  LYS  23           2HZ      LYS  23   6.199  -0.645  -5.382
  144    H    LEU  24           H        LEU  24   2.483  -1.428   0.262
  145    HA   LEU  24           HA       LEU  24  -0.155  -1.229  -0.951
  146    HB2  LEU  24           1HB      LEU  24   0.933   0.098   1.527
  147    HB3  LEU  24           2HB      LEU  24  -0.754   0.060   1.018
  148    HG   LEU  24           HG       LEU  24   0.672  -2.511   1.539
  149   HD11  LEU  24          1HD1      LEU  24   0.937  -2.162   3.710
  150   HD12  LEU  24          2HD1      LEU  24  -0.739  -1.639   3.870
  151   HD13  LEU  24          3HD1      LEU  24   0.514  -0.468   3.461
  152   HD21  LEU  24          3HD2      LEU  24  -1.878  -1.832   0.756
  153   HD22  LEU  24          1HD2      LEU  24  -2.052  -2.125   2.487
  154   HD23  LEU  24          2HD2      LEU  24  -1.381  -3.380   1.443
  155    H    LEU  25           H        LEU  25  -0.224   0.068  -2.683
  156    HA   LEU  25           HA       LEU  25   1.019   2.731  -2.457
  157    HB2  LEU  25           1HB      LEU  25   0.413   1.245  -5.004
  158    HB3  LEU  25           2HB      LEU  25   1.304   2.756  -4.837
  159    HG   LEU  25           HG       LEU  25   2.242   0.075  -3.817
  160   HD11  LEU  25          1HD1      LEU  25   2.077   0.669  -6.406
  161   HD12  LEU  25          2HD1      LEU  25   3.423  -0.244  -5.725
  162   HD13  LEU  25          3HD1      LEU  25   3.599   1.482  -6.040
  163   HD21  LEU  25          3HD2      LEU  25   3.235   1.734  -2.483
  164   HD22  LEU  25          1HD2      LEU  25   3.454   2.824  -3.852
  165   HD23  LEU  25          2HD2      LEU  25   4.436   1.364  -3.721
  166    H    LEU  26           H        LEU  26  -1.869   1.100  -2.490
  167    HA   LEU  26           HA       LEU  26  -3.330   3.344  -3.703
  168    HB2  LEU  26           1HB      LEU  26  -4.384   0.617  -2.979
  169    HB3  LEU  26           2HB      LEU  26  -5.211   1.862  -3.913
  170    HG   LEU  26           HG       LEU  26  -2.664   0.597  -4.880
  171   HD11  LEU  26          1HD1      LEU  26  -4.104  -1.263  -4.542
  172   HD12  LEU  26          2HD1      LEU  26  -4.151  -0.873  -6.260
  173   HD13  LEU  26          3HD1      LEU  26  -5.486  -0.396  -5.211
  174   HD21  LEU  26          3HD2      LEU  26  -3.421   2.690  -5.931
  175   HD22  LEU  26          1HD2      LEU  26  -4.961   1.921  -6.319
  176   HD23  LEU  26          2HD2      LEU  26  -3.469   1.324  -7.047
  177    H    PHE  27           H        PHE  27  -5.236   4.140  -2.628
  178    HA   PHE  27           HA       PHE  27  -5.252   3.675   0.278
  179    HB2  PHE  27           1HB      PHE  27  -4.125   5.835  -0.352
  180    HB3  PHE  27           2HB      PHE  27  -5.662   6.371  -1.023
  181    HD1  PHE  27           1HD      PHE  27  -7.648   6.565   0.512
  182    HD2  PHE  27           2HD      PHE  27  -3.674   6.017   1.936
  183    HE1  PHE  27           1HE      PHE  27  -8.334   7.378   2.731
  184    HE2  PHE  27           2HE      PHE  27  -4.355   6.828   4.157
  185    HZ   PHE  27           HZ       PHE  27  -6.687   7.509   4.557
  186    H    CYS  28           H        CYS  28  -7.137   2.812   0.814
  187    HA   CYS  28           HA       CYS  28  -9.459   3.052  -0.852
  188    HB2  CYS  28           1HB      CYS  28  -8.664   1.101   0.759
  189    HB3  CYS  28           2HB      CYS  28  -9.631   1.988   1.932
  190    H    GLN  29           H        GLN  29 -11.205   4.333  -0.614
  191    HA   GLN  29           HA       GLN  29 -11.035   6.461   1.366
  192    HB2  GLN  29           1HB      GLN  29 -12.607   6.039  -1.149
  193    HB3  GLN  29           2HB      GLN  29 -13.142   7.236   0.023
  194    HG2  GLN  29           1HG      GLN  29 -10.309   7.286  -0.876
  195    HG3  GLN  29           2HG      GLN  29 -11.561   7.883  -1.964
  196   HE21  GLN  29          1HE2      GLN  29 -12.106   9.932  -1.771
  197   HE22  GLN  29          2HE2      GLN  29 -11.815  10.936  -0.395
  198    H    GLU  30           H        GLU  30 -13.187   3.827   0.421
  199    HA   GLU  30           HA       GLU  30 -15.323   4.404   2.132
  200    HB2  GLU  30           1HB      GLU  30 -14.301   1.820   0.971
  201    HB3  GLU  30           2HB      GLU  30 -15.730   1.878   1.993
  202    HG2  GLU  30           1HG      GLU  30 -15.430   3.511  -0.510
  203    HG3  GLU  30           2HG      GLU  30 -16.150   1.903  -0.479
  204    H    ASP  31           H        ASP  31 -12.367   2.543   2.670
  205    HA   ASP  31           HA       ASP  31 -13.113   2.195   5.487
  206    HB2  ASP  31           1HB      ASP  31 -10.917   0.896   3.860
  207    HB3  ASP  31           2HB      ASP  31 -11.234   0.575   5.562
  208    H    GLY  32           H        GLY  32 -11.010   3.948   3.406
  209    HA2  GLY  32           1HA      GLY  32  -9.577   5.690   3.873
  210    HA3  GLY  32           2HA      GLY  32 -10.078   5.580   5.554
  211    H    LYS  33           H        LYS  33  -8.803   2.795   3.916
  212    HA   LYS  33           HA       LYS  33  -6.224   3.163   5.284
  213    HB2  LYS  33           1HB      LYS  33  -6.273   0.654   5.691
  214    HB3  LYS  33           2HB      LYS  33  -7.355   1.625   6.680
  215    HG2  LYS  33           1HG      LYS  33  -8.833   0.030   6.097
  216    HG3  LYS  33           2HG      LYS  33  -9.017   1.045   4.664
  217    HD2  LYS  33           1HD      LYS  33  -8.699  -1.030   3.713
  218    HD3  LYS  33           2HD      LYS  33  -7.048  -0.407   3.742
  219    HE2  LYS  33           1HE      LYS  33  -8.009  -1.928   6.106
  220    HE3  LYS  33           2HE      LYS  33  -7.656  -2.830   4.633
  221    HZ1  LYS  33           3HZ      LYS  33  -5.826  -1.258   6.323
  222    HZ2  LYS  33           1HZ      LYS  33  -5.458  -1.515   4.691
  223    HZ3  LYS  33           2HZ      LYS  33  -5.646  -2.833   5.734
  224    H    VAL  34           H        VAL  34  -4.421   2.360   4.237
  225    HA   VAL  34           HA       VAL  34  -4.557   2.190   1.414
  226    HB   VAL  34           HB       VAL  34  -2.116   1.345   1.718
  227   HG11  VAL  34          1HG1      VAL  34  -1.390   3.688   2.286
  228   HG12  VAL  34          2HG1      VAL  34  -2.544   3.553   0.957
  229   HG13  VAL  34          3HG1      VAL  34  -3.091   4.068   2.554
  230   HG21  VAL  34          3HG2      VAL  34  -1.246   1.161   3.774
  231   HG22  VAL  34          1HG2      VAL  34  -2.055   2.621   4.344
  232   HG23  VAL  34          2HG2      VAL  34  -2.919   1.083   4.327
  233    H    ILE  35           H        ILE  35  -4.735   0.496   0.079
  234    HA   ILE  35           HA       ILE  35  -4.489  -2.209   1.216
  235    HB   ILE  35           HB       ILE  35  -6.367  -2.977  -0.099
  236   HG12  ILE  35          1HG1      ILE  35  -6.803  -0.108  -0.946
  237   HG13  ILE  35          2HG1      ILE  35  -6.017  -1.313  -1.961
  238   HG21  ILE  35          1HG2      ILE  35  -7.244  -2.419   1.919
  239   HG22  ILE  35          2HG2      ILE  35  -6.708  -0.743   1.814
  240   HG23  ILE  35          3HG2      ILE  35  -8.136  -1.270   0.923
  241   HD11  ILE  35          3HD1      ILE  35  -8.237  -1.230  -2.687
  242   HD12  ILE  35          1HD1      ILE  35  -8.131  -2.687  -1.699
  243   HD13  ILE  35          2HD1      ILE  35  -8.866  -1.225  -1.039
  244    H    CYS  36           H        CYS  36  -3.871  -3.862  -0.259
  245    HA   CYS  36           HA       CYS  36  -2.267  -2.837  -2.482
  246    HB2  CYS  36           1HB      CYS  36  -1.074  -4.941  -2.395
  247    HB3  CYS  36           2HB      CYS  36  -1.180  -4.276  -0.768
  248    H    TRP  37           H        TRP  37  -2.070  -4.540  -4.342
  249    HA   TRP  37           HA       TRP  37  -4.365  -4.523  -5.834
  250    HB2  TRP  37           1HB      TRP  37  -2.594  -6.882  -6.206
  251    HB3  TRP  37           2HB      TRP  37  -3.211  -5.737  -7.394
  252    HD1  TRP  37           HD       TRP  37  -0.042  -6.767  -6.357
  253    HE1  TRP  37           1HE      TRP  37   1.718  -4.889  -6.376
  254    HE3  TRP  37           3HE      TRP  37  -3.169  -2.724  -6.480
  255    HZ2  TRP  37           2HZ      TRP  37   1.774  -2.067  -6.434
  256    HZ3  TRP  37           3HZ      TRP  37  -2.182  -0.471  -6.515
  257    HH2  TRP  37           HH       TRP  37   0.238  -0.151  -6.492
  258    H    LEU  38           H        LEU  38  -3.126  -7.342  -4.030
  259    HA   LEU  38           HA       LEU  38  -5.173  -9.112  -4.499
  260    HB2  LEU  38           1HB      LEU  38  -3.435  -8.685  -2.091
  261    HB3  LEU  38           2HB      LEU  38  -4.630  -9.979  -2.146
  262    HG   LEU  38           HG       LEU  38  -2.359 -10.757  -2.678
  263   HD11  LEU  38          1HD1      LEU  38  -3.595 -12.284  -3.729
  264   HD12  LEU  38          2HD1      LEU  38  -3.201 -11.419  -5.214
  265   HD13  LEU  38          3HD1      LEU  38  -4.706 -11.070  -4.364
  266   HD21  LEU  38          3HD2      LEU  38  -1.708  -8.565  -3.783
  267   HD22  LEU  38          1HD2      LEU  38  -2.553  -9.156  -5.214
  268   HD23  LEU  38          2HD2      LEU  38  -1.168 -10.044  -4.579
  269    H    CYS  39           H        CYS  39  -4.979  -6.723  -1.869
  270    HA   CYS  39           HA       CYS  39  -7.449  -7.329  -0.684
  271    HB2  CYS  39           1HB      CYS  39  -5.767  -4.827  -0.712
  272    HB3  CYS  39           2HB      CYS  39  -7.278  -4.928   0.187
  273    H    GLU  40           H        GLU  40  -6.650  -4.594  -2.836
  274    HA   GLU  40           HA       GLU  40  -9.160  -3.552  -3.189
  275    HB2  GLU  40           1HB      GLU  40  -7.268  -2.424  -4.119
  276    HB3  GLU  40           2HB      GLU  40  -6.887  -3.790  -5.158
  277    HG2  GLU  40           1HG      GLU  40  -8.994  -3.403  -6.382
  278    HG3  GLU  40           2HG      GLU  40  -9.279  -1.978  -5.383
  279    H    ARG  41           H        ARG  41  -7.700  -6.277  -4.912
  280    HA   ARG  41           HA       ARG  41 -10.022  -6.681  -6.569
  281    HB2  ARG  41           1HB      ARG  41  -8.832  -8.488  -7.542
  282    HB3  ARG  41           2HB      ARG  41  -7.642  -7.229  -7.235
  283    HG2  ARG  41           1HG      ARG  41  -6.833  -8.387  -5.295
  284    HG3  ARG  41           2HG      ARG  41  -8.120  -9.587  -5.427
  285    HD2  ARG  41           1HD      ARG  41  -6.186  -9.134  -7.672
  286    HD3  ARG  41           2HD      ARG  41  -5.772 -10.181  -6.315
  287    HE   ARG  41           HE       ARG  41  -8.121 -11.196  -7.049
  288   HH11  ARG  41          2HH1      ARG  41  -5.358 -10.257  -8.946
  289   HH12  ARG  41          1HH1      ARG  41  -5.647 -11.431 -10.187
  290   HH21  ARG  41          2HH2      ARG  41  -8.513 -12.746  -8.676
  291   HH22  ARG  41          1HH2      ARG  41  -7.442 -12.845 -10.033
  292    H    SER  42           H        SER  42  -9.146  -7.504  -3.411
  293    HA   SER  42           HA       SER  42 -10.536 -10.008  -3.244
  294    HB2  SER  42           1HB      SER  42  -8.648  -9.341  -1.728
  295    HB3  SER  42           2HB      SER  42  -9.734  -8.173  -0.975
  296    HG   SER  42           HG       SER  42 -10.168 -10.976  -1.115
  297    H    GLN  43           H        GLN  43 -12.608 -10.400  -2.711
  298    HA   GLN  43           HA       GLN  43 -14.630  -8.614  -3.107
  299    HB2  GLN  43           1HB      GLN  43 -14.773 -11.141  -2.782
  300    HB3  GLN  43           2HB      GLN  43 -14.842 -10.812  -1.056
  301    HG2  GLN  43           1HG      GLN  43 -16.847  -9.410  -1.456
  302    HG3  GLN  43           2HG      GLN  43 -16.804  -9.905  -3.147
  303   HE21  GLN  43          1HE2      GLN  43 -18.458 -10.412  -0.497
  304   HE22  GLN  43          2HE2      GLN  43 -18.846 -12.089  -0.643
  305    H    GLU  44           H        GLU  44 -12.564  -8.821  -0.377
  306    HA   GLU  44           HA       GLU  44 -14.255  -7.605   1.549
  307    HB2  GLU  44           1HB      GLU  44 -11.986  -8.891   1.826
  308    HB3  GLU  44           2HB      GLU  44 -11.277  -7.297   1.616
  309    HG2  GLU  44           1HG      GLU  44 -13.051  -8.290   3.810
  310    HG3  GLU  44           2HG      GLU  44 -11.455  -7.551   3.919
  311    H    HIS  45           H        HIS  45 -11.776  -6.324  -0.643
  312    HA   HIS  45           HA       HIS  45 -12.784  -3.615  -0.069
  313    HB2  HIS  45           1HB      HIS  45 -10.023  -4.590  -0.769
  314    HB3  HIS  45           2HB      HIS  45 -10.487  -2.905  -0.987
  315    HD2  HIS  45           2HD      HIS  45  -9.132  -5.181   1.724
  316    HE1  HIS  45           1HE      HIS  45 -10.577  -1.710   3.689
  317    HE2  HIS  45           2HE      HIS  45  -9.151  -3.775   3.896
  318    H    ARG  46           H        ARG  46 -13.519  -5.779  -2.118
  319    HA   ARG  46           HA       ARG  46 -12.782  -4.733  -4.665
  320    HB2  ARG  46           1HB      ARG  46 -13.992  -6.467  -5.565
  321    HB3  ARG  46           2HB      ARG  46 -13.680  -7.110  -3.958
  322    HG2  ARG  46           1HG      ARG  46 -15.902  -7.544  -4.112
  323    HG3  ARG  46           2HG      ARG  46 -15.976  -5.921  -3.423
  324    HD2  ARG  46           1HD      ARG  46 -17.537  -6.155  -5.281
  325    HD3  ARG  46           2HD      ARG  46 -16.275  -4.982  -5.658
  326    HE   ARG  46           HE       ARG  46 -15.474  -6.396  -7.297
  327   HH11  ARG  46          2HH1      ARG  46 -17.899  -8.012  -5.391
  328   HH12  ARG  46          1HH1      ARG  46 -18.047  -9.353  -6.479
  329   HH21  ARG  46          2HH2      ARG  46 -15.661  -8.156  -8.737
  330   HH22  ARG  46          1HH2      ARG  46 -16.773  -9.434  -8.381
  331    H    GLY  47           H        GLY  47 -13.892  -3.402  -6.047
  332    HA2  GLY  47           1HA      GLY  47 -15.589  -2.000  -6.795
  333    HA3  GLY  47           2HA      GLY  47 -16.555  -2.476  -5.406
  334    H    HIS  48           H        HIS  48 -14.212  -1.807  -3.622
  335    HA   HIS  48           HA       HIS  48 -15.013   0.799  -2.930
  336    HB2  HIS  48           1HB      HIS  48 -12.450  -0.614  -2.166
  337    HB3  HIS  48           2HB      HIS  48 -13.174   0.756  -1.330
  338    HD2  HIS  48           2HD      HIS  48 -16.028  -1.508  -2.069
  339    HE1  HIS  48           1HE      HIS  48 -14.506  -2.851   1.656
  340    HE2  HIS  48           2HE      HIS  48 -16.387  -3.030  -0.009
  341    H    HIS  49           H        HIS  49 -14.130   2.794  -3.293
  342    HA   HIS  49           HA       HIS  49 -12.486   3.053  -5.648
  343    HB2  HIS  49           1HB      HIS  49 -14.016   4.918  -3.892
  344    HB3  HIS  49           2HB      HIS  49 -12.722   5.584  -4.884
  345    HD1  HIS  49           1HD      HIS  49 -14.563   6.893  -6.224
  346    HD2  HIS  49           2HD      HIS  49 -14.787   2.755  -6.518
  347    HE1  HIS  49           1HE      HIS  49 -16.092   6.439  -8.168
  348    HE2  HIS  49           2HE      HIS  49 -16.280   3.929  -8.273
  349    H    THR  50           H        THR  50 -10.349   2.976  -5.591
  350    HA   THR  50           HA       THR  50  -8.966   3.979  -3.188
  351    HB   THR  50           HB       THR  50  -7.134   2.393  -3.708
  352    HG1  THR  50           1HG      THR  50  -7.277   1.801  -5.777
  353   HG21  THR  50          3HG2      THR  50  -9.628   1.835  -2.557
  354   HG22  THR  50          1HG2      THR  50  -8.115   0.968  -2.301
  355   HG23  THR  50          2HG2      THR  50  -9.237   0.432  -3.552
  356    H    PHE  51           H        PHE  51  -6.987   5.077  -3.490
  357    HA   PHE  51           HA       PHE  51  -6.388   5.907  -6.243
  358    HB2  PHE  51           1HB      PHE  51  -6.462   7.818  -3.903
  359    HB3  PHE  51           2HB      PHE  51  -6.185   8.218  -5.595
  360    HD1  PHE  51           1HD      PHE  51  -8.746   6.614  -3.412
  361    HD2  PHE  51           2HD      PHE  51  -7.948   9.003  -6.844
  362    HE1  PHE  51           1HE      PHE  51 -11.160   6.980  -3.715
  363    HE2  PHE  51           2HE      PHE  51 -10.361   9.373  -7.151
  364    HZ   PHE  51           HZ       PHE  51 -11.970   8.362  -5.585
  365    HA   PRO  52           HA       PRO  52  -2.208   5.079  -5.166
  366    HB2  PRO  52           1HB      PRO  52  -0.940   6.709  -6.928
  367    HB3  PRO  52           2HB      PRO  52  -1.750   5.216  -7.414
  368    HG2  PRO  52           1HG      PRO  52  -2.729   8.040  -7.575
  369    HG3  PRO  52           2HG      PRO  52  -2.861   6.740  -8.774
  370    HD2  PRO  52           1HD      PRO  52  -4.911   7.437  -7.148
  371    HD3  PRO  52           2HD      PRO  52  -4.662   5.771  -7.710
  372    H    THR  53           H        THR  53  -2.556   6.146  -3.037
  373    HA   THR  53           HA       THR  53  -2.064   8.872  -2.589
  374    HB   THR  53           HB       THR  53  -3.096   7.490  -0.876
  375    HG1  THR  53           1HG      THR  53  -1.072   9.180  -0.466
  376   HG21  THR  53          3HG2      THR  53  -1.955   5.395  -1.221
  377   HG22  THR  53          1HG2      THR  53  -1.697   5.911   0.445
  378   HG23  THR  53          2HG2      THR  53  -0.414   6.110  -0.749
  379    H    SER  54           H        SER  54   0.110   6.088  -2.688
  380    HA   SER  54           HA       SER  54   2.376   7.964  -2.765
  381    HB2  SER  54           1HB      SER  54   2.056   5.469  -1.123
  382    HB3  SER  54           2HB      SER  54   3.661   6.005  -1.621
  383    HG   SER  54           HG       SER  54   3.518   7.230   0.083
  384    H    GLY  55           H        GLY  55   4.430   6.649  -3.507
  385    HA2  GLY  55           1HA      GLY  55   5.331   5.005  -4.967
  386    HA3  GLY  55           2HA      GLY  55   3.714   4.708  -5.586
  387    HA   PRO  56           HA       PRO  56   5.704   8.646  -7.674
  388    HB2  PRO  56           1HB      PRO  56   8.376   8.346  -8.054
  389    HB3  PRO  56           2HB      PRO  56   7.691   9.150  -6.636
  390    HG2  PRO  56           1HG      PRO  56   8.702   6.346  -6.921
  391    HG3  PRO  56           2HG      PRO  56   8.953   7.497  -5.595
  392    HD2  PRO  56           1HD      PRO  56   7.128   5.501  -5.465
  393    HD3  PRO  56           2HD      PRO  56   6.890   7.067  -4.662
  394    H    SER  57           H        SER  57   7.238   5.470  -8.142
  395    HA   SER  57           HA       SER  57   7.008   5.788 -11.042
  396    HB2  SER  57           1HB      SER  57   8.546   3.989 -11.252
  397    HB3  SER  57           2HB      SER  57   9.150   4.973  -9.919
  398    HG   SER  57           HG       SER  57   7.685   2.550  -9.745
  399    H    SER  58           H        SER  58   6.118   4.058 -12.338
  400    HA   SER  58           HA       SER  58   4.230   2.302 -10.941
  401    HB2  SER  58           1HB      SER  58   2.437   2.877 -12.508
  402    HB3  SER  58           2HB      SER  58   2.976   4.312 -11.635
  403    HG   SER  58           HG       SER  58   4.467   4.395 -13.664
  404    H    GLY  59           H        GLY  59   3.122   0.840 -12.724
  405    HA2  GLY  59           1HA      GLY  59   5.210   0.007 -14.638
  406    HA3  GLY  59           2HA      GLY  59   4.395  -1.164 -13.612
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  33.154  -9.357  -2.040
    2    HA2  GLY   1           1HA      GLY   1  31.474 -10.220  -0.735
    3    HA3  GLY   1           2HA      GLY   1  30.440  -9.046  -1.538
    4    H    SER   2           H        SER   2  30.945 -12.285  -0.979
    5    HA   SER   2           HA       SER   2  29.800 -13.230  -3.475
    6    HB2  SER   2           1HB      SER   2  30.679 -14.668  -0.964
    7    HB3  SER   2           2HB      SER   2  29.980 -15.483  -2.362
    8    HG   SER   2           HG       SER   2  32.465 -15.027  -2.041
    9    H    SER   3           H        SER   3  28.917 -13.182  -0.031
   10    HA   SER   3           HA       SER   3  26.103 -13.092  -0.790
   11    HB2  SER   3           1HB      SER   3  26.851 -15.520  -0.388
   12    HB3  SER   3           2HB      SER   3  26.991 -15.064   1.309
   13    HG   SER   3           HG       SER   3  24.687 -14.193   0.748
   14    H    GLY   4           H        GLY   4  24.794 -12.050   0.686
   15    HA2  GLY   4           1HA      GLY   4  26.200 -10.891   3.014
   16    HA3  GLY   4           2HA      GLY   4  25.023 -10.004   2.057
   17    H    SER   5           H        SER   5  24.601 -10.016   4.682
   18    HA   SER   5           HA       SER   5  23.137 -12.178   5.729
   19    HB2  SER   5           1HB      SER   5  23.370  -9.270   6.433
   20    HB3  SER   5           2HB      SER   5  22.164 -10.273   7.239
   21    HG   SER   5           HG       SER   5  24.114 -11.740   7.547
   22    H    SER   6           H        SER   6  21.947  -9.061   4.463
   23    HA   SER   6           HA       SER   6  19.390 -10.398   3.863
   24    HB2  SER   6           1HB      SER   6  18.373  -8.106   4.048
   25    HB3  SER   6           2HB      SER   6  19.035  -8.726   5.561
   26    HG   SER   6           HG       SER   6  20.084  -6.904   5.574
   27    H    GLY   7           H        GLY   7  18.229  -9.613   1.973
   28    HA2  GLY   7           1HA      GLY   7  19.915  -8.261  -0.020
   29    HA3  GLY   7           2HA      GLY   7  19.228  -9.831  -0.411
   30    H    SER   8           H        SER   8  17.469  -9.719  -1.618
   31    HA   SER   8           HA       SER   8  15.490  -9.033  -2.507
   32    HB2  SER   8           1HB      SER   8  14.740  -9.055  -0.134
   33    HB3  SER   8           2HB      SER   8  15.224  -7.366   0.007
   34    HG   SER   8           HG       SER   8  13.564  -6.765  -1.208
   35    HA   PRO   9           HA       PRO   9  17.686  -4.926  -3.473
   36    HB2  PRO   9           1HB      PRO   9  18.956  -5.714  -5.740
   37    HB3  PRO   9           2HB      PRO   9  19.692  -5.827  -4.137
   38    HG2  PRO   9           1HG      PRO   9  18.350  -7.954  -5.760
   39    HG3  PRO   9           2HG      PRO   9  19.846  -8.047  -4.812
   40    HD2  PRO   9           1HD      PRO   9  17.480  -8.998  -3.899
   41    HD3  PRO   9           2HD      PRO   9  18.715  -8.316  -2.821
   42    H    GLU  10           H        GLU  10  15.566  -7.165  -4.889
   43    HA   GLU  10           HA       GLU  10  14.927  -5.469  -7.173
   44    HB2  GLU  10           1HB      GLU  10  14.996  -8.111  -7.059
   45    HB3  GLU  10           2HB      GLU  10  13.348  -7.907  -6.481
   46    HG2  GLU  10           1HG      GLU  10  14.289  -6.612  -9.012
   47    HG3  GLU  10           2HG      GLU  10  13.710  -8.277  -8.980
   48    H    GLY  11           H        GLY  11  14.372  -4.894  -4.203
   49    HA2  GLY  11           1HA      GLY  11  12.192  -3.277  -4.407
   50    HA3  GLY  11           2HA      GLY  11  11.498  -4.846  -4.023
   51    H    GLN  12           H        GLN  12  11.868  -2.164  -2.560
   52    HA   GLN  12           HA       GLN  12  13.200  -3.198  -0.153
   53    HB2  GLN  12           1HB      GLN  12  12.520  -0.375  -0.985
   54    HB3  GLN  12           2HB      GLN  12  13.188  -0.802   0.585
   55    HG2  GLN  12           1HG      GLN  12  15.104  -1.871  -0.720
   56    HG3  GLN  12           2HG      GLN  12  14.483  -0.981  -2.109
   57   HE21  GLN  12          1HE2      GLN  12  15.021  -0.273   1.330
   58   HE22  GLN  12          2HE2      GLN  12  15.893   1.194   1.065
   59    H    LYS  13           H        LYS  13  12.050  -3.698   1.597
   60    HA   LYS  13           HA       LYS  13   9.284  -3.887   1.609
   61    HB2  LYS  13           1HB      LYS  13   9.517  -4.149   4.096
   62    HB3  LYS  13           2HB      LYS  13  10.558  -5.201   3.146
   63    HG2  LYS  13           1HG      LYS  13  12.409  -3.566   3.503
   64    HG3  LYS  13           2HG      LYS  13  11.346  -2.693   4.610
   65    HD2  LYS  13           1HD      LYS  13  12.423  -4.030   6.112
   66    HD3  LYS  13           2HD      LYS  13  11.095  -5.109   5.677
   67    HE2  LYS  13           1HE      LYS  13  12.484  -6.323   4.162
   68    HE3  LYS  13           2HE      LYS  13  13.783  -5.140   4.316
   69    HZ1  LYS  13           3HZ      LYS  13  14.591  -6.444   5.902
   70    HZ2  LYS  13           1HZ      LYS  13  13.193  -7.396   5.954
   71    HZ3  LYS  13           2HZ      LYS  13  13.288  -5.981   6.876
   72    H    VAL  14           H        VAL  14   8.006  -2.169   1.256
   73    HA   VAL  14           HA       VAL  14   8.156   0.041   3.179
   74    HB   VAL  14           HB       VAL  14   9.221   1.010   1.299
   75   HG11  VAL  14          1HG1      VAL  14   6.979   0.283  -0.545
   76   HG12  VAL  14          2HG1      VAL  14   8.641   0.736  -0.929
   77   HG13  VAL  14          3HG1      VAL  14   8.294  -0.853  -0.245
   78   HG21  VAL  14          3HG2      VAL  14   6.310   1.754   1.442
   79   HG22  VAL  14          1HG2      VAL  14   7.681   2.542   2.223
   80   HG23  VAL  14          2HG2      VAL  14   7.477   2.656   0.475
   81    H    ASP  15           H        ASP  15   6.316  -0.355   4.271
   82    HA   ASP  15           HA       ASP  15   4.100  -0.570   4.739
   83    HB2  ASP  15           1HB      ASP  15   4.106   1.020   2.204
   84    HB3  ASP  15           2HB      ASP  15   2.570   0.445   2.849
   85    H    HIS  16           H        HIS  16   5.194  -2.883   3.866
   86    HA   HIS  16           HA       HIS  16   3.741  -4.034   1.682
   87    HB2  HIS  16           1HB      HIS  16   5.697  -5.025   3.708
   88    HB3  HIS  16           2HB      HIS  16   4.710  -6.206   2.853
   89    HD1  HIS  16           1HD      HIS  16   6.508  -3.097   1.584
   90    HD2  HIS  16           2HD      HIS  16   6.293  -7.189   0.900
   91    HE1  HIS  16           1HE      HIS  16   8.010  -3.528  -0.386
   92    HE2  HIS  16           2HE      HIS  16   7.797  -5.998  -0.835
   93    H    CYS  17           H        CYS  17   1.835  -5.049   1.697
   94    HA   CYS  17           HA       CYS  17   0.057  -4.868   3.829
   95    HB2  CYS  17           1HB      CYS  17  -0.550  -5.232   1.425
   96    HB3  CYS  17           2HB      CYS  17  -0.052  -6.911   1.603
   97    H    ALA  18           H        ALA  18  -0.187  -5.979   5.649
   98    HA   ALA  18           HA       ALA  18   1.546  -8.169   6.274
   99    HB1  ALA  18           3HB      ALA  18  -0.726  -6.911   7.801
  100    HB2  ALA  18           1HB      ALA  18   0.311  -8.188   8.439
  101    HB3  ALA  18           2HB      ALA  18   1.000  -6.620   8.014
  102    H    ARG  19           H        ARG  19  -1.210  -8.053   4.489
  103    HA   ARG  19           HA       ARG  19  -2.248 -10.628   5.422
  104    HB2  ARG  19           1HB      ARG  19  -3.935  -8.939   5.095
  105    HB3  ARG  19           2HB      ARG  19  -3.346  -8.600   3.473
  106    HG2  ARG  19           1HG      ARG  19  -4.204 -10.589   2.614
  107    HG3  ARG  19           2HG      ARG  19  -4.372 -11.313   4.214
  108    HD2  ARG  19           1HD      ARG  19  -6.118  -9.630   4.735
  109    HD3  ARG  19           2HD      ARG  19  -5.995  -9.040   3.078
  110    HE   ARG  19           HE       ARG  19  -6.491 -11.812   3.059
  111   HH11  ARG  19          2HH1      ARG  19  -8.061  -8.789   3.777
  112   HH12  ARG  19          1HH1      ARG  19  -9.647  -9.373   3.395
  113   HH21  ARG  19          2HH2      ARG  19  -8.574 -12.592   2.553
  114   HH22  ARG  19          1HH2      ARG  19  -9.938 -11.536   2.700
  115    H    HIS  20           H        HIS  20  -0.997  -9.048   2.507
  116    HA   HIS  20           HA       HIS  20  -0.564 -11.721   1.344
  117    HB2  HIS  20           1HB      HIS  20  -0.885  -9.148  -0.206
  118    HB3  HIS  20           2HB      HIS  20  -0.845 -10.787  -0.850
  119    HD2  HIS  20           2HD      HIS  20  -3.248 -12.204  -0.662
  120    HE1  HIS  20           1HE      HIS  20  -5.527  -8.963   0.855
  121    HE2  HIS  20           2HE      HIS  20  -5.593 -11.327  -0.011
  122    H    GLY  21           H        GLY  21   0.774  -8.532   1.938
  123    HA2  GLY  21           1HA      GLY  21   3.123  -8.349   2.483
  124    HA3  GLY  21           2HA      GLY  21   3.440  -9.632   1.324
  125    H    GLU  22           H        GLU  22   1.370  -8.146  -0.444
  126    HA   GLU  22           HA       GLU  22   3.233  -6.856  -2.099
  127    HB2  GLU  22           1HB      GLU  22   0.250  -6.986  -1.989
  128    HB3  GLU  22           2HB      GLU  22   1.003  -5.797  -3.042
  129    HG2  GLU  22           1HG      GLU  22   0.375  -8.099  -4.001
  130    HG3  GLU  22           2HG      GLU  22   1.941  -7.401  -4.410
  131    H    LYS  23           H        LYS  23   3.770  -4.733  -2.416
  132    HA   LYS  23           HA       LYS  23   3.746  -3.004  -0.211
  133    HB2  LYS  23           1HB      LYS  23   4.161  -2.291  -3.120
  134    HB3  LYS  23           2HB      LYS  23   4.647  -1.318  -1.738
  135    HG2  LYS  23           1HG      LYS  23   6.421  -2.664  -1.235
  136    HG3  LYS  23           2HG      LYS  23   5.672  -4.101  -1.935
  137    HD2  LYS  23           1HD      LYS  23   7.435  -3.530  -3.395
  138    HD3  LYS  23           2HD      LYS  23   5.962  -2.971  -4.192
  139    HE2  LYS  23           1HE      LYS  23   6.445  -0.715  -3.081
  140    HE3  LYS  23           2HE      LYS  23   8.056  -1.357  -2.767
  141    HZ1  LYS  23           3HZ      LYS  23   6.779  -1.002  -5.423
  142    HZ2  LYS  23           1HZ      LYS  23   8.270  -1.761  -5.175
  143    HZ3  LYS  23           2HZ      LYS  23   8.082  -0.123  -4.801
  144    H    LEU  24           H        LEU  24   2.455  -1.343   0.406
  145    HA   LEU  24           HA       LEU  24  -0.146  -1.157  -0.884
  146    HB2  LEU  24           1HB      LEU  24   0.826   0.226   1.609
  147    HB3  LEU  24           2HB      LEU  24  -0.843   0.062   1.067
  148    HG   LEU  24           HG       LEU  24   0.741  -2.399   1.655
  149   HD11  LEU  24          1HD1      LEU  24   1.069  -1.853   3.778
  150   HD12  LEU  24          2HD1      LEU  24  -0.679  -1.756   3.982
  151   HD13  LEU  24          3HD1      LEU  24   0.240  -0.312   3.560
  152   HD21  LEU  24          3HD2      LEU  24  -1.276  -3.411   1.718
  153   HD22  LEU  24          1HD2      LEU  24  -1.762  -2.023   0.745
  154   HD23  LEU  24          2HD2      LEU  24  -2.067  -2.033   2.483
  155    H    LEU  25           H        LEU  25  -0.184   0.147  -2.610
  156    HA   LEU  25           HA       LEU  25   1.059   2.807  -2.356
  157    HB2  LEU  25           1HB      LEU  25   0.458   1.329  -4.910
  158    HB3  LEU  25           2HB      LEU  25   1.343   2.843  -4.740
  159    HG   LEU  25           HG       LEU  25   2.311   0.210  -3.636
  160   HD11  LEU  25          1HD1      LEU  25   3.891   1.049  -5.809
  161   HD12  LEU  25          2HD1      LEU  25   2.213   1.100  -6.349
  162   HD13  LEU  25          3HD1      LEU  25   2.882  -0.393  -5.690
  163   HD21  LEU  25          3HD2      LEU  25   3.523   1.761  -2.489
  164   HD22  LEU  25          1HD2      LEU  25   3.356   2.987  -3.746
  165   HD23  LEU  25          2HD2      LEU  25   4.504   1.664  -3.953
  166    H    LEU  26           H        LEU  26  -1.836   1.225  -2.348
  167    HA   LEU  26           HA       LEU  26  -3.279   3.475  -3.576
  168    HB2  LEU  26           1HB      LEU  26  -4.268   0.707  -2.910
  169    HB3  LEU  26           2HB      LEU  26  -5.205   1.977  -3.694
  170    HG   LEU  26           HG       LEU  26  -2.702   0.845  -4.918
  171   HD11  LEU  26          1HD1      LEU  26  -4.324  -0.490  -6.334
  172   HD12  LEU  26          2HD1      LEU  26  -5.526  -0.167  -5.085
  173   HD13  LEU  26          3HD1      LEU  26  -4.060  -1.063  -4.687
  174   HD21  LEU  26          3HD2      LEU  26  -3.180   2.131  -6.691
  175   HD22  LEU  26          1HD2      LEU  26  -4.169   3.049  -5.556
  176   HD23  LEU  26          2HD2      LEU  26  -4.913   1.817  -6.577
  177    H    PHE  27           H        PHE  27  -5.315   4.120  -2.507
  178    HA   PHE  27           HA       PHE  27  -5.295   3.690   0.397
  179    HB2  PHE  27           1HB      PHE  27  -4.149   5.847  -0.176
  180    HB3  PHE  27           2HB      PHE  27  -5.662   6.403  -0.885
  181    HD1  PHE  27           1HD      PHE  27  -7.694   6.577   0.605
  182    HD2  PHE  27           2HD      PHE  27  -3.753   6.035   2.117
  183    HE1  PHE  27           1HE      PHE  27  -8.433   7.381   2.809
  184    HE2  PHE  27           2HE      PHE  27  -4.486   6.837   4.324
  185    HZ   PHE  27           HZ       PHE  27  -6.829   7.511   4.673
  186    H    CYS  28           H        CYS  28  -7.163   2.667   0.734
  187    HA   CYS  28           HA       CYS  28  -9.471   2.996  -0.890
  188    HB2  CYS  28           1HB      CYS  28  -8.707   1.014   0.680
  189    HB3  CYS  28           2HB      CYS  28  -9.657   1.885   1.880
  190    H    GLN  29           H        GLN  29 -11.212   4.284  -0.669
  191    HA   GLN  29           HA       GLN  29 -11.085   6.365   1.364
  192    HB2  GLN  29           1HB      GLN  29 -12.581   6.017  -1.208
  193    HB3  GLN  29           2HB      GLN  29 -13.147   7.186  -0.023
  194    HG2  GLN  29           1HG      GLN  29 -10.289   7.234  -0.854
  195    HG3  GLN  29           2HG      GLN  29 -11.516   7.893  -1.936
  196   HE21  GLN  29          1HE2      GLN  29 -12.942   9.547  -1.039
  197   HE22  GLN  29          2HE2      GLN  29 -12.309  10.642   0.138
  198    H    GLU  30           H        GLU  30 -13.186   3.737   0.317
  199    HA   GLU  30           HA       GLU  30 -15.388   4.291   1.958
  200    HB2  GLU  30           1HB      GLU  30 -14.321   1.749   0.756
  201    HB3  GLU  30           2HB      GLU  30 -15.753   1.746   1.775
  202    HG2  GLU  30           1HG      GLU  30 -15.414   3.317  -0.769
  203    HG3  GLU  30           2HG      GLU  30 -16.321   1.816  -0.595
  204    H    ASP  31           H        ASP  31 -12.374   2.603   2.595
  205    HA   ASP  31           HA       ASP  31 -13.231   2.168   5.377
  206    HB2  ASP  31           1HB      ASP  31 -11.030   0.842   3.781
  207    HB3  ASP  31           2HB      ASP  31 -11.346   0.541   5.487
  208    H    GLY  32           H        GLY  32 -11.021   3.865   3.345
  209    HA2  GLY  32           1HA      GLY  32  -9.569   5.583   3.841
  210    HA3  GLY  32           2HA      GLY  32 -10.151   5.520   5.499
  211    H    LYS  33           H        LYS  33  -8.712   2.823   3.760
  212    HA   LYS  33           HA       LYS  33  -6.254   3.114   5.333
  213    HB2  LYS  33           1HB      LYS  33  -6.342   0.601   5.724
  214    HB3  LYS  33           2HB      LYS  33  -7.459   1.580   6.667
  215    HG2  LYS  33           1HG      LYS  33  -8.914  -0.011   6.011
  216    HG3  LYS  33           2HG      LYS  33  -9.041   1.027   4.589
  217    HD2  LYS  33           1HD      LYS  33  -8.749  -1.172   3.769
  218    HD3  LYS  33           2HD      LYS  33  -7.190  -0.367   3.569
  219    HE2  LYS  33           1HE      LYS  33  -6.800  -2.565   4.440
  220    HE3  LYS  33           2HE      LYS  33  -6.458  -1.396   5.714
  221    HZ1  LYS  33           3HZ      LYS  33  -8.581  -3.381   5.536
  222    HZ2  LYS  33           1HZ      LYS  33  -8.997  -1.896   6.232
  223    HZ3  LYS  33           2HZ      LYS  33  -7.739  -2.815   6.889
  224    H    VAL  34           H        VAL  34  -4.410   2.389   4.341
  225    HA   VAL  34           HA       VAL  34  -4.438   2.169   1.518
  226    HB   VAL  34           HB       VAL  34  -1.989   1.428   1.900
  227   HG11  VAL  34          1HG1      VAL  34  -2.451   3.627   1.157
  228   HG12  VAL  34          2HG1      VAL  34  -3.091   4.101   2.732
  229   HG13  VAL  34          3HG1      VAL  34  -1.365   3.790   2.537
  230   HG21  VAL  34          3HG2      VAL  34  -1.063   1.569   4.009
  231   HG22  VAL  34          1HG2      VAL  34  -2.370   2.579   4.629
  232   HG23  VAL  34          2HG2      VAL  34  -2.638   0.856   4.361
  233    H    ILE  35           H        ILE  35  -4.598   0.452   0.223
  234    HA   ILE  35           HA       ILE  35  -4.195  -2.226   1.372
  235    HB   ILE  35           HB       ILE  35  -6.095  -3.087   0.101
  236   HG12  ILE  35          1HG1      ILE  35  -6.726  -0.203  -0.554
  237   HG13  ILE  35          2HG1      ILE  35  -6.004  -1.337  -1.690
  238   HG21  ILE  35          1HG2      ILE  35  -7.693  -2.496   1.637
  239   HG22  ILE  35          2HG2      ILE  35  -6.232  -1.959   2.465
  240   HG23  ILE  35          3HG2      ILE  35  -7.241  -0.791   1.613
  241   HD11  ILE  35          3HD1      ILE  35  -8.464  -1.003  -1.933
  242   HD12  ILE  35          1HD1      ILE  35  -7.960  -2.678  -1.713
  243   HD13  ILE  35          2HD1      ILE  35  -8.662  -1.784  -0.364
  244    H    CYS  36           H        CYS  36  -3.752  -3.898  -0.226
  245    HA   CYS  36           HA       CYS  36  -2.193  -2.817  -2.455
  246    HB2  CYS  36           1HB      CYS  36  -1.074  -4.970  -2.511
  247    HB3  CYS  36           2HB      CYS  36  -1.076  -4.354  -0.862
  248    H    TRP  37           H        TRP  37  -2.092  -4.586  -4.336
  249    HA   TRP  37           HA       TRP  37  -4.478  -4.404  -5.738
  250    HB2  TRP  37           1HB      TRP  37  -2.734  -6.725  -6.362
  251    HB3  TRP  37           2HB      TRP  37  -3.390  -5.487  -7.430
  252    HD1  TRP  37           HD       TRP  37  -0.188  -6.621  -6.482
  253    HE1  TRP  37           1HE      TRP  37   1.590  -4.759  -6.490
  254    HE3  TRP  37           3HE      TRP  37  -3.278  -2.548  -6.480
  255    HZ2  TRP  37           2HZ      TRP  37   1.671  -1.938  -6.495
  256    HZ3  TRP  37           3HZ      TRP  37  -2.271  -0.304  -6.486
  257    HH2  TRP  37           HH       TRP  37   0.153  -0.007  -6.492
  258    H    LEU  38           H        LEU  38  -3.138  -7.271  -4.093
  259    HA   LEU  38           HA       LEU  38  -5.193  -9.047  -4.586
  260    HB2  LEU  38           1HB      LEU  38  -3.346  -8.744  -2.238
  261    HB3  LEU  38           2HB      LEU  38  -4.518 -10.056  -2.336
  262    HG   LEU  38           HG       LEU  38  -2.212 -10.692  -3.015
  263   HD11  LEU  38          1HD1      LEU  38  -2.987 -12.186  -4.527
  264   HD12  LEU  38          2HD1      LEU  38  -3.809 -10.959  -5.489
  265   HD13  LEU  38          3HD1      LEU  38  -4.543 -11.548  -3.998
  266   HD21  LEU  38          3HD2      LEU  38  -1.383  -9.936  -5.189
  267   HD22  LEU  38          1HD2      LEU  38  -1.549  -8.592  -4.059
  268   HD23  LEU  38          2HD2      LEU  38  -2.751  -8.831  -5.328
  269    H    CYS  39           H        CYS  39  -4.935  -6.618  -2.030
  270    HA   CYS  39           HA       CYS  39  -7.294  -7.362  -0.653
  271    HB2  CYS  39           1HB      CYS  39  -5.601  -4.881  -0.712
  272    HB3  CYS  39           2HB      CYS  39  -7.117  -4.908   0.182
  273    H    GLU  40           H        GLU  40  -6.694  -4.554  -2.775
  274    HA   GLU  40           HA       GLU  40  -9.250  -3.584  -2.961
  275    HB2  GLU  40           1HB      GLU  40  -7.326  -2.451  -3.949
  276    HB3  GLU  40           2HB      GLU  40  -7.180  -3.718  -5.160
  277    HG2  GLU  40           1HG      GLU  40  -8.295  -1.529  -5.843
  278    HG3  GLU  40           2HG      GLU  40  -9.093  -3.037  -6.288
  279    H    ARG  41           H        ARG  41  -7.801  -6.207  -4.844
  280    HA   ARG  41           HA       ARG  41 -10.140  -6.631  -6.442
  281    HB2  ARG  41           1HB      ARG  41  -8.968  -8.443  -7.415
  282    HB3  ARG  41           2HB      ARG  41  -7.756  -7.211  -7.091
  283    HG2  ARG  41           1HG      ARG  41  -6.983  -8.395  -5.155
  284    HG3  ARG  41           2HG      ARG  41  -8.297  -9.564  -5.297
  285    HD2  ARG  41           1HD      ARG  41  -7.238  -9.852  -7.723
  286    HD3  ARG  41           2HD      ARG  41  -5.796  -9.305  -6.869
  287    HE   ARG  41           HE       ARG  41  -5.797 -11.274  -5.635
  288   HH11  ARG  41          2HH1      ARG  41  -8.604 -11.077  -7.685
  289   HH12  ARG  41          1HH1      ARG  41  -9.024 -12.746  -7.491
  290   HH21  ARG  41          2HH2      ARG  41  -6.340 -13.474  -5.372
  291   HH22  ARG  41          1HH2      ARG  41  -7.736 -14.109  -6.174
  292    H    SER  42           H        SER  42  -9.187  -7.533  -3.299
  293    HA   SER  42           HA       SER  42 -10.593  -9.999  -3.097
  294    HB2  SER  42           1HB      SER  42  -8.735  -8.981  -1.554
  295    HB3  SER  42           2HB      SER  42 -10.098  -8.227  -0.726
  296    HG   SER  42           HG       SER  42 -10.451 -10.898  -1.250
  297    H    GLN  43           H        GLN  43 -12.646 -10.438  -2.450
  298    HA   GLN  43           HA       GLN  43 -14.710  -8.703  -2.980
  299    HB2  GLN  43           1HB      GLN  43 -14.501 -11.175  -1.311
  300    HB3  GLN  43           2HB      GLN  43 -15.996 -10.249  -1.283
  301    HG2  GLN  43           1HG      GLN  43 -15.958 -12.141  -2.904
  302    HG3  GLN  43           2HG      GLN  43 -16.340 -10.570  -3.606
  303   HE21  GLN  43          1HE2      GLN  43 -15.038  -9.729  -5.145
  304   HE22  GLN  43          2HE2      GLN  43 -13.643 -10.527  -5.778
  305    H    GLU  44           H        GLU  44 -12.656  -8.748  -0.248
  306    HA   GLU  44           HA       GLU  44 -14.410  -7.523   1.629
  307    HB2  GLU  44           1HB      GLU  44 -12.334  -8.771   2.234
  308    HB3  GLU  44           2HB      GLU  44 -11.389  -7.445   1.572
  309    HG2  GLU  44           1HG      GLU  44 -11.463  -7.179   3.929
  310    HG3  GLU  44           2HG      GLU  44 -12.486  -5.932   3.217
  311    H    HIS  45           H        HIS  45 -12.020  -6.294  -0.667
  312    HA   HIS  45           HA       HIS  45 -13.013  -3.571  -0.129
  313    HB2  HIS  45           1HB      HIS  45 -10.261  -4.529  -0.903
  314    HB3  HIS  45           2HB      HIS  45 -10.754  -2.848  -1.084
  315    HD2  HIS  45           2HD      HIS  45  -9.297  -5.150   1.559
  316    HE1  HIS  45           1HE      HIS  45 -10.680  -1.697   3.600
  317    HE2  HIS  45           2HE      HIS  45  -9.247  -3.763   3.742
  318    H    ARG  46           H        ARG  46 -13.783  -5.797  -2.093
  319    HA   ARG  46           HA       ARG  46 -13.091  -4.937  -4.694
  320    HB2  ARG  46           1HB      ARG  46 -14.749  -6.452  -5.481
  321    HB3  ARG  46           2HB      ARG  46 -14.026  -7.191  -4.058
  322    HG2  ARG  46           1HG      ARG  46 -15.916  -6.898  -2.777
  323    HG3  ARG  46           2HG      ARG  46 -16.511  -5.568  -3.772
  324    HD2  ARG  46           1HD      ARG  46 -17.083  -7.088  -5.549
  325    HD3  ARG  46           2HD      ARG  46 -16.345  -8.436  -4.684
  326    HE   ARG  46           HE       ARG  46 -18.287  -7.406  -3.010
  327   HH11  ARG  46          2HH1      ARG  46 -18.142  -8.853  -6.173
  328   HH12  ARG  46          1HH1      ARG  46 -19.730  -9.538  -6.075
  329   HH21  ARG  46          2HH2      ARG  46 -20.379  -8.303  -2.869
  330   HH22  ARG  46          1HH2      ARG  46 -21.002  -9.224  -4.195
  331    H    GLY  47           H        GLY  47 -14.113  -3.598  -6.139
  332    HA2  GLY  47           1HA      GLY  47 -15.452  -1.887  -6.882
  333    HA3  GLY  47           2HA      GLY  47 -16.682  -2.484  -5.778
  334    H    HIS  48           H        HIS  48 -13.637  -1.651  -4.418
  335    HA   HIS  48           HA       HIS  48 -14.879   0.665  -3.126
  336    HB2  HIS  48           1HB      HIS  48 -12.436  -0.973  -2.440
  337    HB3  HIS  48           2HB      HIS  48 -12.882   0.499  -1.583
  338    HD2  HIS  48           2HD      HIS  48 -15.935  -1.643  -2.409
  339    HE1  HIS  48           1HE      HIS  48 -14.849  -2.528   1.595
  340    HE2  HIS  48           2HE      HIS  48 -16.562  -2.868  -0.219
  341    H    HIS  49           H        HIS  49 -14.176   2.706  -3.403
  342    HA   HIS  49           HA       HIS  49 -12.532   3.331  -5.621
  343    HB2  HIS  49           1HB      HIS  49 -13.578   5.042  -3.360
  344    HB3  HIS  49           2HB      HIS  49 -12.703   5.686  -4.746
  345    HD1  HIS  49           1HD      HIS  49 -15.973   5.537  -3.650
  346    HD2  HIS  49           2HD      HIS  49 -14.180   4.470  -7.242
  347    HE1  HIS  49           1HE      HIS  49 -17.824   5.539  -5.352
  348    HE2  HIS  49           2HE      HIS  49 -16.732   4.808  -7.500
  349    H    THR  50           H        THR  50 -10.396   3.315  -5.749
  350    HA   THR  50           HA       THR  50  -8.829   3.855  -3.313
  351    HB   THR  50           HB       THR  50  -7.153   2.234  -4.019
  352    HG1  THR  50           1HG      THR  50  -7.435   1.007  -5.858
  353   HG21  THR  50          3HG2      THR  50  -9.841   0.876  -4.118
  354   HG22  THR  50          1HG2      THR  50  -9.158   1.542  -2.635
  355   HG23  THR  50          2HG2      THR  50  -8.324   0.239  -3.483
  356    H    PHE  51           H        PHE  51  -6.919   5.009  -3.571
  357    HA   PHE  51           HA       PHE  51  -6.359   6.049  -6.262
  358    HB2  PHE  51           1HB      PHE  51  -6.400   7.727  -3.746
  359    HB3  PHE  51           2HB      PHE  51  -6.049   8.292  -5.376
  360    HD1  PHE  51           1HD      PHE  51  -8.727   6.649  -3.383
  361    HD2  PHE  51           2HD      PHE  51  -7.748   9.167  -6.673
  362    HE1  PHE  51           1HE      PHE  51 -11.117   7.125  -3.726
  363    HE2  PHE  51           2HE      PHE  51 -10.136   9.647  -7.020
  364    HZ   PHE  51           HZ       PHE  51 -11.824   8.627  -5.546
  365    HA   PRO  52           HA       PRO  52  -2.183   5.010  -5.349
  366    HB2  PRO  52           1HB      PRO  52  -0.925   6.669  -7.092
  367    HB3  PRO  52           2HB      PRO  52  -1.795   5.218  -7.604
  368    HG2  PRO  52           1HG      PRO  52  -2.694   8.073  -7.630
  369    HG3  PRO  52           2HG      PRO  52  -2.903   6.823  -8.870
  370    HD2  PRO  52           1HD      PRO  52  -4.878   7.517  -7.152
  371    HD3  PRO  52           2HD      PRO  52  -4.697   5.867  -7.782
  372    H    THR  53           H        THR  53  -2.428   6.006  -3.172
  373    HA   THR  53           HA       THR  53  -1.843   8.699  -2.641
  374    HB   THR  53           HB       THR  53  -2.854   7.299  -0.939
  375    HG1  THR  53           1HG      THR  53  -1.801   8.280   0.658
  376   HG21  THR  53          3HG2      THR  53  -0.251   5.780  -1.049
  377   HG22  THR  53          1HG2      THR  53  -1.874   5.165  -1.362
  378   HG23  THR  53          2HG2      THR  53  -1.408   5.631   0.274
  379    H    SER  54           H        SER  54   0.237   5.886  -3.036
  380    HA   SER  54           HA       SER  54   2.611   7.462  -2.416
  381    HB2  SER  54           1HB      SER  54   2.013   4.560  -2.724
  382    HB3  SER  54           2HB      SER  54   3.653   5.096  -3.089
  383    HG   SER  54           HG       SER  54   2.364   4.897  -0.675
  384    H    GLY  55           H        GLY  55   1.123   5.753  -5.133
  385    HA2  GLY  55           1HA      GLY  55   3.196   6.125  -6.995
  386    HA3  GLY  55           2HA      GLY  55   1.504   5.864  -7.393
  387    HA   PRO  56           HA       PRO  56   2.998  10.451  -7.831
  388    HB2  PRO  56           1HB      PRO  56   4.361  10.437 -10.179
  389    HB3  PRO  56           2HB      PRO  56   5.149  10.237  -8.609
  390    HG2  PRO  56           1HG      PRO  56   4.357   8.156 -10.611
  391    HG3  PRO  56           2HG      PRO  56   5.853   8.290  -9.668
  392    HD2  PRO  56           1HD      PRO  56   3.844   6.610  -8.981
  393    HD3  PRO  56           2HD      PRO  56   4.892   7.388  -7.778
  394    H    SER  57           H        SER  57   2.611  11.833  -9.944
  395    HA   SER  57           HA       SER  57   0.157  10.777 -11.175
  396    HB2  SER  57           1HB      SER  57  -0.074  12.838  -9.785
  397    HB3  SER  57           2HB      SER  57   1.010  13.668 -10.901
  398    HG   SER  57           HG       SER  57  -0.512  13.653 -12.425
  399    H    SER  58           H        SER  58  -0.175  10.940 -13.383
  400    HA   SER  58           HA       SER  58   2.271  11.286 -14.956
  401    HB2  SER  58           1HB      SER  58   1.314   9.887 -16.590
  402    HB3  SER  58           2HB      SER  58   0.789   9.176 -15.063
  403    HG   SER  58           HG       SER  58  -0.683  10.419 -17.039
  404    H    GLY  59           H        GLY  59   1.680  12.023 -17.339
  405    HA2  GLY  59           1HA      GLY  59   0.770  14.737 -17.073
  406    HA3  GLY  59           2HA      GLY  59   1.351  13.970 -18.543
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -4.964 -23.496  -6.630
    2    HA2  GLY   1           1HA      GLY   1  -3.309 -24.656  -7.856
    3    HA3  GLY   1           2HA      GLY   1  -2.490 -23.129  -8.149
    4    H    SER   2           H        SER   2  -0.708 -24.771  -7.525
    5    HA   SER   2           HA       SER   2  -0.279 -24.573  -4.615
    6    HB2  SER   2           1HB      SER   2   0.724 -26.748  -6.469
    7    HB3  SER   2           2HB      SER   2   1.024 -26.647  -4.734
    8    HG   SER   2           HG       SER   2  -1.297 -27.347  -6.109
    9    H    SER   3           H        SER   3   1.653 -23.800  -3.906
   10    HA   SER   3           HA       SER   3   3.790 -23.316  -5.840
   11    HB2  SER   3           1HB      SER   3   2.390 -21.177  -4.237
   12    HB3  SER   3           2HB      SER   3   4.015 -20.955  -4.885
   13    HG   SER   3           HG       SER   3   2.833 -21.732  -6.941
   14    H    GLY   4           H        GLY   4   5.806 -23.468  -4.988
   15    HA2  GLY   4           1HA      GLY   4   5.992 -23.752  -2.052
   16    HA3  GLY   4           2HA      GLY   4   6.836 -24.831  -3.153
   17    H    SER   5           H        SER   5   6.475 -21.312  -2.678
   18    HA   SER   5           HA       SER   5   9.353 -21.041  -3.220
   19    HB2  SER   5           1HB      SER   5   8.947 -18.825  -3.944
   20    HB3  SER   5           2HB      SER   5   7.620 -19.769  -4.619
   21    HG   SER   5           HG       SER   5   6.259 -18.950  -3.100
   22    H    SER   6           H        SER   6  10.665 -19.798  -1.862
   23    HA   SER   6           HA       SER   6   9.979 -19.930   0.907
   24    HB2  SER   6           1HB      SER   6  12.366 -18.996  -0.648
   25    HB3  SER   6           2HB      SER   6  12.229 -18.582   1.061
   26    HG   SER   6           HG       SER   6  13.155 -20.493   1.223
   27    H    GLY   7           H        GLY   7  10.528 -17.255  -1.374
   28    HA2  GLY   7           1HA      GLY   7   8.624 -15.606   0.020
   29    HA3  GLY   7           2HA      GLY   7  10.284 -15.072   0.237
   30    H    SER   8           H        SER   8   8.505 -13.384  -0.929
   31    HA   SER   8           HA       SER   8   8.291 -13.540  -3.723
   32    HB2  SER   8           1HB      SER   8   7.741 -11.170  -3.650
   33    HB3  SER   8           2HB      SER   8   6.969 -11.992  -2.295
   34    HG   SER   8           HG       SER   8   9.501 -10.813  -1.974
   35    HA   PRO   9           HA       PRO   9  12.291 -12.556  -5.241
   36    HB2  PRO   9           1HB      PRO   9  11.659 -11.214  -7.515
   37    HB3  PRO   9           2HB      PRO   9  11.455 -12.961  -7.342
   38    HG2  PRO   9           1HG      PRO   9   9.417 -10.782  -7.095
   39    HG3  PRO   9           2HG      PRO   9   9.282 -12.353  -7.907
   40    HD2  PRO   9           1HD      PRO   9   8.251 -11.892  -5.446
   41    HD3  PRO   9           2HD      PRO   9   8.879 -13.479  -5.936
   42    H    GLU  10           H        GLU  10  10.113 -10.149  -4.240
   43    HA   GLU  10           HA       GLU  10  11.591  -7.829  -4.940
   44    HB2  GLU  10           1HB      GLU  10   9.433  -8.385  -2.920
   45    HB3  GLU  10           2HB      GLU  10  10.208  -6.810  -3.018
   46    HG2  GLU  10           1HG      GLU  10   8.996  -8.079  -5.440
   47    HG3  GLU  10           2HG      GLU  10   8.005  -7.193  -4.282
   48    H    GLY  11           H        GLY  11  12.285  -6.299  -3.035
   49    HA2  GLY  11           1HA      GLY  11  13.746  -7.805  -0.981
   50    HA3  GLY  11           2HA      GLY  11  14.660  -6.762  -2.061
   51    H    GLN  12           H        GLN  12  12.809  -4.636  -2.246
   52    HA   GLN  12           HA       GLN  12  13.388  -3.313   0.247
   53    HB2  GLN  12           1HB      GLN  12  12.376  -1.332  -0.864
   54    HB3  GLN  12           2HB      GLN  12  13.681  -2.061  -1.791
   55    HG2  GLN  12           1HG      GLN  12  12.019  -3.200  -3.197
   56    HG3  GLN  12           2HG      GLN  12  10.733  -2.402  -2.292
   57   HE21  GLN  12          1HE2      GLN  12  12.341  -2.296  -5.084
   58   HE22  GLN  12          2HE2      GLN  12  12.249  -0.609  -5.442
   59    H    LYS  13           H        LYS  13  12.113  -3.477   1.958
   60    HA   LYS  13           HA       LYS  13   9.302  -4.172   1.625
   61    HB2  LYS  13           1HB      LYS  13  10.997  -3.924   4.118
   62    HB3  LYS  13           2HB      LYS  13   9.326  -4.474   4.080
   63    HG2  LYS  13           1HG      LYS  13  10.333  -6.494   4.071
   64    HG3  LYS  13           2HG      LYS  13  10.360  -6.198   2.331
   65    HD2  LYS  13           1HD      LYS  13  12.551  -6.750   2.640
   66    HD3  LYS  13           2HD      LYS  13  12.654  -5.015   2.950
   67    HE2  LYS  13           1HE      LYS  13  12.184  -7.021   5.140
   68    HE3  LYS  13           2HE      LYS  13  13.803  -6.559   4.615
   69    HZ1  LYS  13           3HZ      LYS  13  11.725  -4.796   5.786
   70    HZ2  LYS  13           1HZ      LYS  13  13.153  -4.218   5.087
   71    HZ3  LYS  13           2HZ      LYS  13  13.222  -5.207   6.458
   72    H    VAL  14           H        VAL  14   8.086  -2.440   1.132
   73    HA   VAL  14           HA       VAL  14   8.175  -0.164   2.993
   74    HB   VAL  14           HB       VAL  14   9.252   0.674   1.038
   75   HG11  VAL  14          1HG1      VAL  14   8.493   0.413  -1.178
   76   HG12  VAL  14          2HG1      VAL  14   8.343  -1.183  -0.440
   77   HG13  VAL  14          3HG1      VAL  14   6.914  -0.171  -0.653
   78   HG21  VAL  14          3HG2      VAL  14   7.805   2.480   0.411
   79   HG22  VAL  14          1HG2      VAL  14   6.375   1.556   0.871
   80   HG23  VAL  14          2HG2      VAL  14   7.509   2.101   2.107
   81    H    ASP  15           H        ASP  15   6.327  -0.431   4.093
   82    HA   ASP  15           HA       ASP  15   4.113  -0.671   4.568
   83    HB2  ASP  15           1HB      ASP  15   4.009   0.709   1.891
   84    HB3  ASP  15           2HB      ASP  15   2.548   0.334   2.802
   85    H    HIS  16           H        HIS  16   5.211  -3.016   3.781
   86    HA   HIS  16           HA       HIS  16   3.718  -4.241   1.656
   87    HB2  HIS  16           1HB      HIS  16   5.761  -5.149   3.634
   88    HB3  HIS  16           2HB      HIS  16   4.762  -6.367   2.847
   89    HD1  HIS  16           1HD      HIS  16   6.532  -3.278   1.483
   90    HD2  HIS  16           2HD      HIS  16   6.221  -7.366   0.812
   91    HE1  HIS  16           1HE      HIS  16   7.951  -3.737  -0.541
   92    HE2  HIS  16           2HE      HIS  16   7.679  -6.202  -0.979
   93    H    CYS  17           H        CYS  17   1.793  -5.195   1.771
   94    HA   CYS  17           HA       CYS  17   0.147  -5.034   4.017
   95    HB2  CYS  17           1HB      CYS  17  -0.609  -5.306   1.639
   96    HB3  CYS  17           2HB      CYS  17  -0.147  -7.002   1.741
   97    H    ALA  18           H        ALA  18  -0.061  -6.231   5.793
   98    HA   ALA  18           HA       ALA  18   1.674  -8.479   6.225
   99    HB1  ALA  18           3HB      ALA  18  -0.066  -8.391   8.370
  100    HB2  ALA  18           1HB      ALA  18   1.509  -7.604   8.267
  101    HB3  ALA  18           2HB      ALA  18   0.046  -6.710   7.850
  102    H    ARG  19           H        ARG  19  -1.167  -8.232   4.625
  103    HA   ARG  19           HA       ARG  19  -2.224 -10.804   5.556
  104    HB2  ARG  19           1HB      ARG  19  -3.880  -9.057   5.440
  105    HB3  ARG  19           2HB      ARG  19  -3.417  -8.665   3.790
  106    HG2  ARG  19           1HG      ARG  19  -4.333 -10.684   2.957
  107    HG3  ARG  19           2HG      ARG  19  -4.539 -11.337   4.584
  108    HD2  ARG  19           1HD      ARG  19  -6.027  -9.194   4.902
  109    HD3  ARG  19           2HD      ARG  19  -6.133  -9.271   3.143
  110    HE   ARG  19           HE       ARG  19  -7.474 -11.122   3.335
  111   HH11  ARG  19          2HH1      ARG  19  -5.955 -10.471   6.398
  112   HH12  ARG  19          1HH1      ARG  19  -6.907 -11.630   7.265
  113   HH21  ARG  19          2HH2      ARG  19  -8.734 -12.652   4.464
  114   HH22  ARG  19          1HH2      ARG  19  -8.487 -12.871   6.163
  115    H    HIS  20           H        HIS  20  -1.084  -9.143   2.651
  116    HA   HIS  20           HA       HIS  20  -0.899 -11.764   1.316
  117    HB2  HIS  20           1HB      HIS  20  -1.154  -9.079  -0.048
  118    HB3  HIS  20           2HB      HIS  20  -1.221 -10.668  -0.806
  119    HD2  HIS  20           2HD      HIS  20  -3.668 -12.021  -0.533
  120    HE1  HIS  20           1HE      HIS  20  -5.732  -8.752   1.215
  121    HE2  HIS  20           2HE      HIS  20  -5.939 -11.076   0.266
  122    H    GLY  21           H        GLY  21   0.675  -8.690   1.967
  123    HA2  GLY  21           1HA      GLY  21   3.051  -8.649   2.375
  124    HA3  GLY  21           2HA      GLY  21   3.231  -9.937   1.193
  125    H    GLU  22           H        GLU  22   1.135  -8.229  -0.397
  126    HA   GLU  22           HA       GLU  22   3.025  -7.041  -2.134
  127    HB2  GLU  22           1HB      GLU  22   0.039  -7.032  -1.941
  128    HB3  GLU  22           2HB      GLU  22   0.833  -5.909  -3.035
  129    HG2  GLU  22           1HG      GLU  22   0.044  -8.266  -3.851
  130    HG3  GLU  22           2HG      GLU  22   1.546  -7.554  -4.439
  131    H    LYS  23           H        LYS  23   3.536  -4.897  -2.514
  132    HA   LYS  23           HA       LYS  23   3.652  -3.198  -0.268
  133    HB2  LYS  23           1HB      LYS  23   4.042  -2.503  -3.186
  134    HB3  LYS  23           2HB      LYS  23   4.560  -1.525  -1.818
  135    HG2  LYS  23           1HG      LYS  23   6.328  -2.875  -1.341
  136    HG3  LYS  23           2HG      LYS  23   5.533  -4.324  -1.962
  137    HD2  LYS  23           1HD      LYS  23   7.171  -3.934  -3.553
  138    HD3  LYS  23           2HD      LYS  23   5.759  -3.152  -4.267
  139    HE2  LYS  23           1HE      LYS  23   7.377  -1.533  -4.542
  140    HE3  LYS  23           2HE      LYS  23   6.643  -1.043  -3.017
  141    HZ1  LYS  23           3HZ      LYS  23   9.274  -2.234  -3.514
  142    HZ2  LYS  23           1HZ      LYS  23   8.507  -2.571  -2.045
  143    HZ3  LYS  23           2HZ      LYS  23   8.842  -0.971  -2.475
  144    H    LEU  24           H        LEU  24   2.426  -1.504   0.384
  145    HA   LEU  24           HA       LEU  24  -0.187  -1.219  -0.868
  146    HB2  LEU  24           1HB      LEU  24   0.869   0.055   1.650
  147    HB3  LEU  24           2HB      LEU  24  -0.810   0.011   1.115
  148    HG   LEU  24           HG       LEU  24   0.641  -2.549   1.641
  149   HD11  LEU  24          1HD1      LEU  24   1.127  -1.486   3.659
  150   HD12  LEU  24          2HD1      LEU  24  -0.369  -2.360   3.987
  151   HD13  LEU  24          3HD1      LEU  24  -0.411  -0.623   3.684
  152   HD21  LEU  24          3HD2      LEU  24  -1.399  -3.462   1.523
  153   HD22  LEU  24          1HD2      LEU  24  -1.871  -1.948   0.750
  154   HD23  LEU  24          2HD2      LEU  24  -2.135  -2.174   2.480
  155    H    LEU  25           H        LEU  25  -0.133   0.093  -2.600
  156    HA   LEU  25           HA       LEU  25   1.128   2.736  -2.271
  157    HB2  LEU  25           1HB      LEU  25   0.634   1.251  -4.846
  158    HB3  LEU  25           2HB      LEU  25   1.463   2.796  -4.665
  159    HG   LEU  25           HG       LEU  25   2.471   0.177  -3.558
  160   HD11  LEU  25          1HD1      LEU  25   3.742   1.585  -5.850
  161   HD12  LEU  25          2HD1      LEU  25   2.327   0.577  -6.150
  162   HD13  LEU  25          3HD1      LEU  25   3.769  -0.124  -5.417
  163   HD21  LEU  25          3HD2      LEU  25   4.441   1.318  -3.000
  164   HD22  LEU  25          1HD2      LEU  25   3.140   2.383  -2.465
  165   HD23  LEU  25          2HD2      LEU  25   4.002   2.729  -3.965
  166    H    LEU  26           H        LEU  26  -1.773   1.208  -2.327
  167    HA   LEU  26           HA       LEU  26  -3.157   3.451  -3.634
  168    HB2  LEU  26           1HB      LEU  26  -4.045   0.640  -3.028
  169    HB3  LEU  26           2HB      LEU  26  -5.140   1.902  -3.589
  170    HG   LEU  26           HG       LEU  26  -2.742   0.935  -5.141
  171   HD11  LEU  26          1HD1      LEU  26  -4.917  -0.589  -4.638
  172   HD12  LEU  26          2HD1      LEU  26  -3.966  -0.674  -6.120
  173   HD13  LEU  26          3HD1      LEU  26  -5.449   0.279  -6.078
  174   HD21  LEU  26          3HD2      LEU  26  -4.091   3.270  -5.407
  175   HD22  LEU  26          1HD2      LEU  26  -5.024   2.220  -6.473
  176   HD23  LEU  26          2HD2      LEU  26  -3.291   2.425  -6.732
  177    H    PHE  27           H        PHE  27  -5.293   4.029  -2.624
  178    HA   PHE  27           HA       PHE  27  -5.316   3.696   0.286
  179    HB2  PHE  27           1HB      PHE  27  -4.133   5.829  -0.276
  180    HB3  PHE  27           2HB      PHE  27  -5.608   6.389  -1.058
  181    HD1  PHE  27           1HD      PHE  27  -7.678   6.685   0.324
  182    HD2  PHE  27           2HD      PHE  27  -3.848   5.994   2.047
  183    HE1  PHE  27           1HE      PHE  27  -8.496   7.544   2.480
  184    HE2  PHE  27           2HE      PHE  27  -4.660   6.851   4.205
  185    HZ   PHE  27           HZ       PHE  27  -6.987   7.626   4.424
  186    H    CYS  28           H        CYS  28  -7.212   2.749   0.649
  187    HA   CYS  28           HA       CYS  28  -9.469   3.022  -1.057
  188    HB2  CYS  28           1HB      CYS  28  -8.841   1.068   0.519
  189    HB3  CYS  28           2HB      CYS  28  -9.613   2.027   1.778
  190    H    GLN  29           H        GLN  29 -11.265   4.269  -0.891
  191    HA   GLN  29           HA       GLN  29 -11.134   6.496   0.985
  192    HB2  GLN  29           1HB      GLN  29 -12.980   7.436  -0.403
  193    HB3  GLN  29           2HB      GLN  29 -11.510   7.106  -1.309
  194    HG2  GLN  29           1HG      GLN  29 -12.483   5.528  -2.579
  195    HG3  GLN  29           2HG      GLN  29 -13.480   4.925  -1.256
  196   HE21  GLN  29          1HE2      GLN  29 -13.157   7.508  -3.620
  197   HE22  GLN  29          2HE2      GLN  29 -14.839   7.894  -3.701
  198    H    GLU  30           H        GLU  30 -13.062   3.675   0.272
  199    HA   GLU  30           HA       GLU  30 -15.305   4.382   1.872
  200    HB2  GLU  30           1HB      GLU  30 -14.306   1.843   0.635
  201    HB3  GLU  30           2HB      GLU  30 -15.614   1.781   1.808
  202    HG2  GLU  30           1HG      GLU  30 -15.797   3.662  -0.496
  203    HG3  GLU  30           2HG      GLU  30 -16.127   1.948  -0.738
  204    H    ASP  31           H        ASP  31 -12.325   2.598   2.468
  205    HA   ASP  31           HA       ASP  31 -13.101   2.267   5.283
  206    HB2  ASP  31           1HB      ASP  31 -10.930   0.926   3.658
  207    HB3  ASP  31           2HB      ASP  31 -11.182   0.669   5.383
  208    H    GLY  32           H        GLY  32 -11.050   4.040   3.195
  209    HA2  GLY  32           1HA      GLY  32  -9.553   5.731   3.612
  210    HA3  GLY  32           2HA      GLY  32 -10.137   5.731   5.269
  211    H    LYS  33           H        LYS  33  -8.709   2.940   3.697
  212    HA   LYS  33           HA       LYS  33  -6.242   3.327   5.239
  213    HB2  LYS  33           1HB      LYS  33  -6.295   0.886   5.819
  214    HB3  LYS  33           2HB      LYS  33  -7.527   1.855   6.617
  215    HG2  LYS  33           1HG      LYS  33  -8.845   0.144   5.972
  216    HG3  LYS  33           2HG      LYS  33  -8.925   1.081   4.478
  217    HD2  LYS  33           1HD      LYS  33  -8.460  -1.154   3.842
  218    HD3  LYS  33           2HD      LYS  33  -6.944  -0.265   3.673
  219    HE2  LYS  33           1HE      LYS  33  -6.223  -1.111   5.862
  220    HE3  LYS  33           2HE      LYS  33  -7.730  -2.015   6.003
  221    HZ1  LYS  33           3HZ      LYS  33  -5.500  -2.458   4.111
  222    HZ2  LYS  33           1HZ      LYS  33  -7.037  -3.112   3.843
  223    HZ3  LYS  33           2HZ      LYS  33  -6.164  -3.544   5.226
  224    H    VAL  34           H        VAL  34  -4.398   2.627   4.256
  225    HA   VAL  34           HA       VAL  34  -4.371   2.312   1.471
  226    HB   VAL  34           HB       VAL  34  -1.973   1.421   1.930
  227   HG11  VAL  34          1HG1      VAL  34  -2.984   4.169   2.591
  228   HG12  VAL  34          2HG1      VAL  34  -1.262   3.786   2.582
  229   HG13  VAL  34          3HG1      VAL  34  -2.216   3.604   1.109
  230   HG21  VAL  34          3HG2      VAL  34  -2.641   0.898   4.352
  231   HG22  VAL  34          1HG2      VAL  34  -1.084   1.680   4.076
  232   HG23  VAL  34          2HG2      VAL  34  -2.461   2.630   4.633
  233    H    ILE  35           H        ILE  35  -4.515   0.595   0.161
  234    HA   ILE  35           HA       ILE  35  -4.337  -2.093   1.340
  235    HB   ILE  35           HB       ILE  35  -6.215  -2.852  -0.024
  236   HG12  ILE  35          1HG1      ILE  35  -6.661   0.058  -0.715
  237   HG13  ILE  35          2HG1      ILE  35  -5.922  -1.107  -1.808
  238   HG21  ILE  35          1HG2      ILE  35  -6.912  -0.469   1.688
  239   HG22  ILE  35          2HG2      ILE  35  -8.015  -1.761   1.218
  240   HG23  ILE  35          3HG2      ILE  35  -6.638  -2.113   2.262
  241   HD11  ILE  35          3HD1      ILE  35  -8.081  -2.467  -1.444
  242   HD12  ILE  35          1HD1      ILE  35  -8.745  -0.945  -0.852
  243   HD13  ILE  35          2HD1      ILE  35  -8.123  -1.054  -2.499
  244    H    CYS  36           H        CYS  36  -3.771  -3.776  -0.138
  245    HA   CYS  36           HA       CYS  36  -2.119  -2.797  -2.342
  246    HB2  CYS  36           1HB      CYS  36  -1.076  -5.008  -2.299
  247    HB3  CYS  36           2HB      CYS  36  -1.072  -4.291  -0.690
  248    H    TRP  37           H        TRP  37  -1.972  -4.604  -4.173
  249    HA   TRP  37           HA       TRP  37  -4.278  -4.421  -5.691
  250    HB2  TRP  37           1HB      TRP  37  -2.558  -6.806  -6.129
  251    HB3  TRP  37           2HB      TRP  37  -3.155  -5.620  -7.285
  252    HD1  TRP  37           HD       TRP  37  -0.006  -6.737  -6.186
  253    HE1  TRP  37           1HE      TRP  37   1.792  -4.895  -6.203
  254    HE3  TRP  37           3HE      TRP  37  -3.047  -2.635  -6.435
  255    HZ2  TRP  37           2HZ      TRP  37   1.907  -2.077  -6.308
  256    HZ3  TRP  37           3HZ      TRP  37  -2.014  -0.402  -6.490
  257    HH2  TRP  37           HH       TRP  37   0.412  -0.131  -6.427
  258    H    LEU  38           H        LEU  38  -3.105  -7.282  -3.913
  259    HA   LEU  38           HA       LEU  38  -5.219  -8.985  -4.439
  260    HB2  LEU  38           1HB      LEU  38  -3.316  -8.722  -2.152
  261    HB3  LEU  38           2HB      LEU  38  -4.632  -9.890  -2.062
  262    HG   LEU  38           HG       LEU  38  -2.510 -10.901  -2.783
  263   HD11  LEU  38          1HD1      LEU  38  -3.393 -12.100  -4.706
  264   HD12  LEU  38          2HD1      LEU  38  -4.629 -10.862  -4.928
  265   HD13  LEU  38          3HD1      LEU  38  -4.643 -11.873  -3.482
  266   HD21  LEU  38          3HD2      LEU  38  -1.351 -10.280  -4.677
  267   HD22  LEU  38          1HD2      LEU  38  -1.887  -8.717  -4.060
  268   HD23  LEU  38          2HD2      LEU  38  -2.747  -9.478  -5.399
  269    H    CYS  39           H        CYS  39  -4.946  -6.456  -2.002
  270    HA   CYS  39           HA       CYS  39  -7.353  -7.100  -0.632
  271    HB2  CYS  39           1HB      CYS  39  -5.557  -4.693  -0.708
  272    HB3  CYS  39           2HB      CYS  39  -7.096  -4.632   0.144
  273    H    GLU  40           H        GLU  40  -6.590  -4.379  -2.816
  274    HA   GLU  40           HA       GLU  40  -9.128  -3.343  -3.082
  275    HB2  GLU  40           1HB      GLU  40  -7.320  -2.121  -4.005
  276    HB3  GLU  40           2HB      GLU  40  -6.833  -3.466  -5.028
  277    HG2  GLU  40           1HG      GLU  40  -9.428  -1.981  -5.343
  278    HG3  GLU  40           2HG      GLU  40  -7.951  -1.583  -6.219
  279    H    ARG  41           H        ARG  41  -7.677  -6.072  -4.773
  280    HA   ARG  41           HA       ARG  41 -10.018  -6.445  -6.442
  281    HB2  ARG  41           1HB      ARG  41  -8.792  -8.067  -7.591
  282    HB3  ARG  41           2HB      ARG  41  -7.567  -6.902  -7.107
  283    HG2  ARG  41           1HG      ARG  41  -6.508  -8.819  -6.517
  284    HG3  ARG  41           2HG      ARG  41  -7.382  -8.508  -5.016
  285    HD2  ARG  41           1HD      ARG  41  -9.104 -10.061  -5.628
  286    HD3  ARG  41           2HD      ARG  41  -8.415 -10.260  -7.238
  287    HE   ARG  41           HE       ARG  41  -6.669 -10.980  -5.046
  288   HH11  ARG  41          2HH1      ARG  41  -9.023 -12.055  -7.374
  289   HH12  ARG  41          1HH1      ARG  41  -8.529 -13.714  -7.302
  290   HH21  ARG  41          2HH2      ARG  41  -6.009 -13.161  -4.942
  291   HH22  ARG  41          1HH2      ARG  41  -6.815 -14.342  -5.918
  292    H    SER  42           H        SER  42  -8.932  -7.425  -3.370
  293    HA   SER  42           HA       SER  42 -10.159  -9.973  -3.207
  294    HB2  SER  42           1HB      SER  42  -8.984  -8.032  -1.296
  295    HB3  SER  42           2HB      SER  42 -10.138  -9.186  -0.628
  296    HG   SER  42           HG       SER  42  -8.687 -10.691  -2.052
  297    H    GLN  43           H        GLN  43 -12.106 -10.588  -2.209
  298    HA   GLN  43           HA       GLN  43 -14.346  -9.039  -2.848
  299    HB2  GLN  43           1HB      GLN  43 -14.148 -11.581  -2.403
  300    HB3  GLN  43           2HB      GLN  43 -14.399 -11.155  -0.715
  301    HG2  GLN  43           1HG      GLN  43 -16.518 -10.054  -1.350
  302    HG3  GLN  43           2HG      GLN  43 -16.274 -10.612  -3.005
  303   HE21  GLN  43          1HE2      GLN  43 -17.916 -11.238  -0.289
  304   HE22  GLN  43          2HE2      GLN  43 -18.143 -12.943  -0.444
  305    H    GLU  44           H        GLU  44 -12.175  -8.638  -0.340
  306    HA   GLU  44           HA       GLU  44 -14.016  -7.672   1.650
  307    HB2  GLU  44           1HB      GLU  44 -11.011  -7.578   1.409
  308    HB3  GLU  44           2HB      GLU  44 -11.881  -6.853   2.754
  309    HG2  GLU  44           1HG      GLU  44 -12.927  -9.189   3.047
  310    HG3  GLU  44           2HG      GLU  44 -11.591  -9.740   2.037
  311    H    HIS  45           H        HIS  45 -11.798  -6.227  -0.700
  312    HA   HIS  45           HA       HIS  45 -12.996  -3.599  -0.122
  313    HB2  HIS  45           1HB      HIS  45 -10.286  -4.342  -1.224
  314    HB3  HIS  45           2HB      HIS  45 -10.922  -2.701  -1.283
  315    HD2  HIS  45           2HD      HIS  45  -9.025  -4.984   1.100
  316    HE1  HIS  45           1HE      HIS  45 -10.331  -1.655   3.382
  317    HE2  HIS  45           2HE      HIS  45  -8.788  -3.644   3.300
  318    H    ARG  46           H        ARG  46 -13.798  -5.900  -1.991
  319    HA   ARG  46           HA       ARG  46 -13.448  -5.095  -4.653
  320    HB2  ARG  46           1HB      ARG  46 -14.384  -7.310  -3.685
  321    HB3  ARG  46           2HB      ARG  46 -15.934  -6.481  -3.694
  322    HG2  ARG  46           1HG      ARG  46 -15.669  -6.080  -6.115
  323    HG3  ARG  46           2HG      ARG  46 -14.170  -7.010  -6.074
  324    HD2  ARG  46           1HD      ARG  46 -15.357  -8.989  -5.392
  325    HD3  ARG  46           2HD      ARG  46 -16.859  -8.079  -5.231
  326    HE   ARG  46           HE       ARG  46 -16.473  -7.677  -7.759
  327   HH11  ARG  46          2HH1      ARG  46 -15.733 -10.588  -5.999
  328   HH12  ARG  46          1HH1      ARG  46 -15.958 -11.628  -7.366
  329   HH21  ARG  46          2HH2      ARG  46 -16.772  -9.036  -9.567
  330   HH22  ARG  46          1HH2      ARG  46 -16.548 -10.744  -9.396
  331    H    GLY  47           H        GLY  47 -14.448  -3.642  -5.933
  332    HA2  GLY  47           1HA      GLY  47 -15.929  -2.015  -6.620
  333    HA3  GLY  47           2HA      GLY  47 -17.029  -2.559  -5.361
  334    H    HIS  48           H        HIS  48 -13.872  -1.756  -4.319
  335    HA   HIS  48           HA       HIS  48 -14.926   0.674  -3.064
  336    HB2  HIS  48           1HB      HIS  48 -12.477  -0.983  -2.430
  337    HB3  HIS  48           2HB      HIS  48 -12.940   0.483  -1.571
  338    HD2  HIS  48           2HD      HIS  48 -15.950  -1.751  -2.319
  339    HE1  HIS  48           1HE      HIS  48 -14.763  -2.561   1.673
  340    HE2  HIS  48           2HE      HIS  48 -16.499  -2.970  -0.104
  341    H    HIS  49           H        HIS  49 -14.068   2.662  -3.408
  342    HA   HIS  49           HA       HIS  49 -12.419   3.010  -5.736
  343    HB2  HIS  49           1HB      HIS  49 -13.850   4.827  -3.842
  344    HB3  HIS  49           2HB      HIS  49 -12.582   5.498  -4.864
  345    HD1  HIS  49           1HD      HIS  49 -16.085   4.364  -4.912
  346    HD2  HIS  49           2HD      HIS  49 -13.142   5.344  -7.676
  347    HE1  HIS  49           1HE      HIS  49 -17.291   4.673  -7.097
  348    HE2  HIS  49           2HE      HIS  49 -15.479   5.181  -8.772
  349    H    THR  50           H        THR  50 -10.279   3.085  -5.781
  350    HA   THR  50           HA       THR  50  -8.842   3.722  -3.286
  351    HB   THR  50           HB       THR  50  -6.950   2.353  -4.297
  352    HG1  THR  50           1HG      THR  50  -8.048   0.663  -5.763
  353   HG21  THR  50          3HG2      THR  50  -9.329   1.523  -2.917
  354   HG22  THR  50          1HG2      THR  50  -7.677   0.935  -2.738
  355   HG23  THR  50          2HG2      THR  50  -8.744   0.215  -3.944
  356    H    PHE  51           H        PHE  51  -7.168   5.160  -3.361
  357    HA   PHE  51           HA       PHE  51  -6.640   6.431  -5.967
  358    HB2  PHE  51           1HB      PHE  51  -6.680   7.775  -3.257
  359    HB3  PHE  51           2HB      PHE  51  -6.357   8.561  -4.799
  360    HD1  PHE  51           1HD      PHE  51  -8.972   6.565  -3.057
  361    HD2  PHE  51           2HD      PHE  51  -8.088   9.568  -5.940
  362    HE1  PHE  51           1HE      PHE  51 -11.377   7.008  -3.328
  363    HE2  PHE  51           2HE      PHE  51 -10.492  10.017  -6.215
  364    HZ   PHE  51           HZ       PHE  51 -12.140   8.736  -4.908
  365    HA   PRO  52           HA       PRO  52  -2.396   5.453  -5.328
  366    HB2  PRO  52           1HB      PRO  52  -1.277   7.321  -6.950
  367    HB3  PRO  52           2HB      PRO  52  -2.115   5.892  -7.566
  368    HG2  PRO  52           1HG      PRO  52  -3.117   8.698  -7.276
  369    HG3  PRO  52           2HG      PRO  52  -3.336   7.565  -8.622
  370    HD2  PRO  52           1HD      PRO  52  -5.257   8.011  -6.767
  371    HD3  PRO  52           2HD      PRO  52  -5.044   6.438  -7.562
  372    H    THR  53           H        THR  53  -2.580   6.223  -3.056
  373    HA   THR  53           HA       THR  53  -2.008   8.898  -2.339
  374    HB   THR  53           HB       THR  53  -3.056   7.435  -0.729
  375    HG1  THR  53           1HG      THR  53  -0.940   8.929  -0.221
  376   HG21  THR  53          3HG2      THR  53  -2.208   5.434   0.038
  377   HG22  THR  53          1HG2      THR  53  -0.541   5.875  -0.329
  378   HG23  THR  53          2HG2      THR  53  -1.638   5.416  -1.631
  379    H    SER  54           H        SER  54   0.021   6.074  -2.899
  380    HA   SER  54           HA       SER  54   2.349   7.815  -3.076
  381    HB2  SER  54           1HB      SER  54   2.514   7.167  -0.778
  382    HB3  SER  54           2HB      SER  54   2.144   5.486  -1.160
  383    HG   SER  54           HG       SER  54   4.339   6.564  -2.457
  384    H    GLY  55           H        GLY  55   2.971   7.407  -5.100
  385    HA2  GLY  55           1HA      GLY  55   3.979   4.840  -5.816
  386    HA3  GLY  55           2HA      GLY  55   2.449   5.157  -6.619
  387    HA   PRO  56           HA       PRO  56   5.908   8.224  -8.186
  388    HB2  PRO  56           1HB      PRO  56   8.356   7.053  -8.258
  389    HB3  PRO  56           2HB      PRO  56   7.787   8.007  -6.883
  390    HG2  PRO  56           1HG      PRO  56   7.846   5.034  -7.232
  391    HG3  PRO  56           2HG      PRO  56   8.279   6.003  -5.811
  392    HD2  PRO  56           1HD      PRO  56   5.899   4.733  -6.038
  393    HD3  PRO  56           2HD      PRO  56   6.083   6.269  -5.166
  394    H    SER  57           H        SER  57   4.806   7.819 -10.112
  395    HA   SER  57           HA       SER  57   5.946   5.696 -11.809
  396    HB2  SER  57           1HB      SER  57   3.183   6.930 -11.922
  397    HB3  SER  57           2HB      SER  57   3.801   5.714 -13.041
  398    HG   SER  57           HG       SER  57   3.296   5.441 -10.268
  399    H    SER  58           H        SER  58   7.219   6.426 -13.363
  400    HA   SER  58           HA       SER  58   7.227   9.209 -14.106
  401    HB2  SER  58           1HB      SER  58   9.334   7.953 -13.902
  402    HB3  SER  58           2HB      SER  58   8.827   6.889 -15.214
  403    HG   SER  58           HG       SER  58   8.645   8.957 -16.450
  404    H    GLY  59           H        GLY  59   5.078   7.024 -14.859
  405    HA2  GLY  59           1HA      GLY  59   5.070   7.058 -17.726
  406    HA3  GLY  59           2HA      GLY  59   3.765   6.506 -16.686
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   3.746   5.922 -15.380
    2    HA2  GLY   1           1HA      GLY   1   3.317   4.705 -13.205
    3    HA3  GLY   1           2HA      GLY   1   1.800   4.222 -13.948
    4    H    SER   2           H        SER   2   5.101   3.505 -13.556
    5    HA   SER   2           HA       SER   2   4.866   1.308 -15.508
    6    HB2  SER   2           1HB      SER   2   6.542   3.148 -16.078
    7    HB3  SER   2           2HB      SER   2   7.479   2.584 -14.694
    8    HG   SER   2           HG       SER   2   7.198   0.425 -15.831
    9    H    SER   3           H        SER   3   5.882  -0.677 -14.953
   10    HA   SER   3           HA       SER   3   5.446  -1.580 -12.382
   11    HB2  SER   3           1HB      SER   3   5.936  -2.881 -14.598
   12    HB3  SER   3           2HB      SER   3   7.612  -2.818 -14.052
   13    HG   SER   3           HG       SER   3   6.394  -3.593 -11.958
   14    H    GLY   4           H        GLY   4   6.319  -0.649 -10.630
   15    HA2  GLY   4           1HA      GLY   4   8.719   0.687 -10.402
   16    HA3  GLY   4           2HA      GLY   4   7.917  -0.123  -9.064
   17    H    SER   5           H        SER   5  10.810   0.175 -10.164
   18    HA   SER   5           HA       SER   5  11.493  -2.689 -10.109
   19    HB2  SER   5           1HB      SER   5  12.261  -1.618 -12.139
   20    HB3  SER   5           2HB      SER   5  13.030  -0.328 -11.216
   21    HG   SER   5           HG       SER   5  14.290  -2.124 -10.237
   22    H    SER   6           H        SER   6  12.158  -3.378  -8.195
   23    HA   SER   6           HA       SER   6  12.775  -1.854  -5.986
   24    HB2  SER   6           1HB      SER   6  13.333  -4.670  -6.784
   25    HB3  SER   6           2HB      SER   6  14.198  -4.032  -5.386
   26    HG   SER   6           HG       SER   6  12.346  -4.812  -4.553
   27    H    GLY   7           H        GLY   7  15.074  -3.348  -8.265
   28    HA2  GLY   7           1HA      GLY   7  17.088  -2.411  -9.008
   29    HA3  GLY   7           2HA      GLY   7  16.941  -1.169  -7.773
   30    H    SER   8           H        SER   8  16.580  -2.872  -5.540
   31    HA   SER   8           HA       SER   8  19.338  -3.748  -5.203
   32    HB2  SER   8           1HB      SER   8  17.074  -3.173  -3.308
   33    HB3  SER   8           2HB      SER   8  18.499  -4.060  -2.767
   34    HG   SER   8           HG       SER   8  19.768  -2.287  -3.354
   35    HA   PRO   9           HA       PRO   9  18.571  -8.063  -5.388
   36    HB2  PRO   9           1HB      PRO   9  20.253  -9.006  -3.477
   37    HB3  PRO   9           2HB      PRO   9  20.819  -8.367  -5.025
   38    HG2  PRO   9           1HG      PRO   9  20.702  -7.026  -2.351
   39    HG3  PRO   9           2HG      PRO   9  21.995  -6.992  -3.564
   40    HD2  PRO   9           1HD      PRO   9  20.221  -4.968  -3.268
   41    HD3  PRO   9           2HD      PRO   9  20.928  -5.396  -4.840
   42    H    GLU  10           H        GLU  10  17.873  -6.286  -2.556
   43    HA   GLU  10           HA       GLU  10  16.294  -8.541  -1.504
   44    HB2  GLU  10           1HB      GLU  10  16.626  -7.709   0.735
   45    HB3  GLU  10           2HB      GLU  10  18.194  -7.915  -0.032
   46    HG2  GLU  10           1HG      GLU  10  16.912  -5.246  -0.192
   47    HG3  GLU  10           2HG      GLU  10  17.583  -5.756   1.357
   48    H    GLY  11           H        GLY  11  14.272  -8.007  -0.506
   49    HA2  GLY  11           1HA      GLY  11  12.900  -5.893  -1.902
   50    HA3  GLY  11           2HA      GLY  11  12.185  -7.038  -0.776
   51    H    GLN  12           H        GLN  12  12.196  -3.975  -1.152
   52    HA   GLN  12           HA       GLN  12  13.172  -3.139   1.465
   53    HB2  GLN  12           1HB      GLN  12  12.079  -1.625  -0.902
   54    HB3  GLN  12           2HB      GLN  12  12.414  -0.853   0.643
   55    HG2  GLN  12           1HG      GLN  12  14.431  -2.307  -1.054
   56    HG3  GLN  12           2HG      GLN  12  14.233  -0.558  -0.966
   57   HE21  GLN  12          1HE2      GLN  12  16.469  -2.421  -0.255
   58   HE22  GLN  12          2HE2      GLN  12  16.893  -1.994   1.364
   59    H    LYS  13           H        LYS  13  11.868  -3.410   3.144
   60    HA   LYS  13           HA       LYS  13   9.091  -3.866   2.960
   61    HB2  LYS  13           1HB      LYS  13   9.160  -3.470   5.473
   62    HB3  LYS  13           2HB      LYS  13  10.191  -4.753   4.854
   63    HG2  LYS  13           1HG      LYS  13  12.136  -3.394   5.058
   64    HG3  LYS  13           2HG      LYS  13  11.166  -1.964   5.422
   65    HD2  LYS  13           1HD      LYS  13  11.803  -2.566   7.538
   66    HD3  LYS  13           2HD      LYS  13  10.298  -3.479   7.400
   67    HE2  LYS  13           1HE      LYS  13  12.972  -4.648   6.675
   68    HE3  LYS  13           2HE      LYS  13  12.323  -4.720   8.312
   69    HZ1  LYS  13           3HZ      LYS  13  11.719  -6.365   6.105
   70    HZ2  LYS  13           1HZ      LYS  13  10.309  -5.574   6.602
   71    HZ3  LYS  13           2HZ      LYS  13  11.189  -6.505   7.706
   72    H    VAL  14           H        VAL  14   7.765  -2.349   2.170
   73    HA   VAL  14           HA       VAL  14   7.629   0.210   3.571
   74    HB   VAL  14           HB       VAL  14   8.970   0.846   1.715
   75   HG11  VAL  14          1HG1      VAL  14   7.002  -0.282  -0.242
   76   HG12  VAL  14          2HG1      VAL  14   8.684   0.186  -0.499
   77   HG13  VAL  14          3HG1      VAL  14   8.303  -1.276   0.412
   78   HG21  VAL  14          3HG2      VAL  14   7.707   2.666   1.548
   79   HG22  VAL  14          1HG2      VAL  14   6.763   1.860   0.296
   80   HG23  VAL  14          2HG2      VAL  14   6.266   1.750   1.985
   81    H    ASP  15           H        ASP  15   5.649  -0.095   4.432
   82    HA   ASP  15           HA       ASP  15   3.401  -0.433   4.599
   83    HB2  ASP  15           1HB      ASP  15   3.594   0.798   1.847
   84    HB3  ASP  15           2HB      ASP  15   2.061   0.494   2.660
   85    H    HIS  16           H        HIS  16   4.697  -2.759   4.042
   86    HA   HIS  16           HA       HIS  16   3.438  -4.089   1.804
   87    HB2  HIS  16           1HB      HIS  16   5.447  -4.855   3.884
   88    HB3  HIS  16           2HB      HIS  16   4.594  -6.128   3.016
   89    HD1  HIS  16           1HD      HIS  16   6.001  -2.869   1.655
   90    HD2  HIS  16           2HD      HIS  16   6.437  -6.978   1.218
   91    HE1  HIS  16           1HE      HIS  16   7.617  -3.175  -0.246
   92    HE2  HIS  16           2HE      HIS  16   7.800  -5.669  -0.548
   93    H    CYS  17           H        CYS  17   1.546  -5.100   1.858
   94    HA   CYS  17           HA       CYS  17  -0.194  -5.070   4.009
   95    HB2  CYS  17           1HB      CYS  17  -0.808  -5.474   1.614
   96    HB3  CYS  17           2HB      CYS  17  -0.199  -7.117   1.784
   97    H    ALA  18           H        ALA  18  -0.434  -6.250   5.796
   98    HA   ALA  18           HA       ALA  18   1.463  -8.341   6.380
   99    HB1  ALA  18           3HB      ALA  18   0.454  -6.509   7.961
  100    HB2  ALA  18           1HB      ALA  18  -0.819  -7.709   8.190
  101    HB3  ALA  18           2HB      ALA  18   0.853  -8.112   8.580
  102    H    ARG  19           H        ARG  19  -1.243  -8.385   4.607
  103    HA   ARG  19           HA       ARG  19  -2.134 -11.011   5.594
  104    HB2  ARG  19           1HB      ARG  19  -3.959  -9.467   5.537
  105    HB3  ARG  19           2HB      ARG  19  -3.533  -8.929   3.918
  106    HG2  ARG  19           1HG      ARG  19  -4.119 -11.136   3.035
  107    HG3  ARG  19           2HG      ARG  19  -4.565 -11.659   4.661
  108    HD2  ARG  19           1HD      ARG  19  -6.196  -9.722   4.687
  109    HD3  ARG  19           2HD      ARG  19  -5.876  -9.551   2.961
  110    HE   ARG  19           HE       ARG  19  -7.046 -11.512   2.564
  111   HH11  ARG  19          2HH1      ARG  19  -6.698 -10.951   5.982
  112   HH12  ARG  19          1HH1      ARG  19  -7.867 -12.149   6.430
  113   HH21  ARG  19          2HH2      ARG  19  -8.587 -13.092   3.140
  114   HH22  ARG  19          1HH2      ARG  19  -8.940 -13.367   4.813
  115    H    HIS  20           H        HIS  20  -1.088  -9.232   2.739
  116    HA   HIS  20           HA       HIS  20  -0.787 -11.801   1.327
  117    HB2  HIS  20           1HB      HIS  20  -1.162  -9.075   0.073
  118    HB3  HIS  20           2HB      HIS  20  -1.088 -10.619  -0.771
  119    HD2  HIS  20           2HD      HIS  20  -3.404 -12.272  -0.392
  120    HE1  HIS  20           1HE      HIS  20  -5.809  -9.070   1.007
  121    HE2  HIS  20           2HE      HIS  20  -5.778 -11.471   0.247
  122    H    GLY  21           H        GLY  21   0.676  -8.724   2.153
  123    HA2  GLY  21           1HA      GLY  21   3.018  -8.531   2.551
  124    HA3  GLY  21           2HA      GLY  21   3.288  -9.853   1.425
  125    H    GLU  22           H        GLU  22   1.146  -8.231  -0.243
  126    HA   GLU  22           HA       GLU  22   3.038  -7.066  -2.000
  127    HB2  GLU  22           1HB      GLU  22   0.046  -7.089  -1.844
  128    HB3  GLU  22           2HB      GLU  22   0.852  -6.023  -2.986
  129    HG2  GLU  22           1HG      GLU  22   0.087  -8.373  -3.744
  130    HG3  GLU  22           2HG      GLU  22   1.660  -7.761  -4.253
  131    H    LYS  23           H        LYS  23   3.375  -4.882  -2.532
  132    HA   LYS  23           HA       LYS  23   3.469  -3.119  -0.310
  133    HB2  LYS  23           1HB      LYS  23   4.205  -2.986  -3.186
  134    HB3  LYS  23           2HB      LYS  23   3.967  -1.456  -2.352
  135    HG2  LYS  23           1HG      LYS  23   5.564  -2.463  -0.577
  136    HG3  LYS  23           2HG      LYS  23   6.019  -3.571  -1.873
  137    HD2  LYS  23           1HD      LYS  23   6.114  -0.557  -2.022
  138    HD3  LYS  23           2HD      LYS  23   7.503  -1.618  -1.776
  139    HE2  LYS  23           1HE      LYS  23   5.691  -1.826  -4.169
  140    HE3  LYS  23           2HE      LYS  23   7.118  -0.791  -4.140
  141    HZ1  LYS  23           3HZ      LYS  23   8.373  -2.536  -4.605
  142    HZ2  LYS  23           1HZ      LYS  23   6.995  -3.512  -4.705
  143    HZ3  LYS  23           2HZ      LYS  23   7.819  -3.360  -3.236
  144    H    LEU  24           H        LEU  24   2.179  -1.450   0.277
  145    HA   LEU  24           HA       LEU  24  -0.401  -1.249  -1.076
  146    HB2  LEU  24           1HB      LEU  24   0.471   0.006   1.519
  147    HB3  LEU  24           2HB      LEU  24  -1.175  -0.117   0.901
  148    HG   LEU  24           HG       LEU  24   0.438  -2.570   1.528
  149   HD11  LEU  24          1HD1      LEU  24   0.554  -1.521   3.597
  150   HD12  LEU  24          2HD1      LEU  24  -0.908  -2.498   3.722
  151   HD13  LEU  24          3HD1      LEU  24  -1.029  -0.766   3.415
  152   HD21  LEU  24          3HD2      LEU  24  -1.761  -2.542   0.195
  153   HD22  LEU  24          1HD2      LEU  24  -2.526  -2.176   1.741
  154   HD23  LEU  24          2HD2      LEU  24  -1.615  -3.673   1.542
  155    H    LEU  25           H        LEU  25  -0.373   0.138  -2.736
  156    HA   LEU  25           HA       LEU  25   0.840   2.788  -2.293
  157    HB2  LEU  25           1HB      LEU  25   0.429   1.405  -4.938
  158    HB3  LEU  25           2HB      LEU  25   1.260   2.934  -4.660
  159    HG   LEU  25           HG       LEU  25   2.219   0.257  -3.651
  160   HD11  LEU  25          1HD1      LEU  25   4.043   0.994  -5.474
  161   HD12  LEU  25          2HD1      LEU  25   2.591   1.665  -6.217
  162   HD13  LEU  25          3HD1      LEU  25   2.673  -0.056  -5.839
  163   HD21  LEU  25          3HD2      LEU  25   3.833   2.767  -3.901
  164   HD22  LEU  25          1HD2      LEU  25   4.134   1.340  -2.910
  165   HD23  LEU  25          2HD2      LEU  25   2.849   2.464  -2.468
  166    H    LEU  26           H        LEU  26  -2.029   1.231  -2.430
  167    HA   LEU  26           HA       LEU  26  -3.419   3.501  -3.687
  168    HB2  LEU  26           1HB      LEU  26  -4.393   0.688  -3.211
  169    HB3  LEU  26           2HB      LEU  26  -5.330   1.984  -3.953
  170    HG   LEU  26           HG       LEU  26  -2.756   0.998  -5.151
  171   HD11  LEU  26          1HD1      LEU  26  -4.574  -0.804  -4.784
  172   HD12  LEU  26          2HD1      LEU  26  -3.846  -0.632  -6.381
  173   HD13  LEU  26          3HD1      LEU  26  -5.442   0.047  -6.062
  174   HD21  LEU  26          3HD2      LEU  26  -4.729   1.862  -7.010
  175   HD22  LEU  26          1HD2      LEU  26  -3.155   2.576  -6.656
  176   HD23  LEU  26          2HD2      LEU  26  -4.578   3.082  -5.745
  177    H    PHE  27           H        PHE  27  -4.998   4.587  -2.585
  178    HA   PHE  27           HA       PHE  27  -5.211   3.963   0.280
  179    HB2  PHE  27           1HB      PHE  27  -4.293   6.211  -0.448
  180    HB3  PHE  27           2HB      PHE  27  -5.905   6.581  -1.054
  181    HD1  PHE  27           1HD      PHE  27  -7.806   6.746   0.525
  182    HD2  PHE  27           2HD      PHE  27  -3.785   6.325   1.859
  183    HE1  PHE  27           1HE      PHE  27  -8.470   7.522   2.764
  184    HE2  PHE  27           2HE      PHE  27  -4.444   7.099   4.100
  185    HZ   PHE  27           HZ       PHE  27  -6.789   7.698   4.555
  186    H    CYS  28           H        CYS  28  -7.019   2.986   0.877
  187    HA   CYS  28           HA       CYS  28  -9.359   2.994  -0.804
  188    HB2  CYS  28           1HB      CYS  28  -8.376   1.103   0.772
  189    HB3  CYS  28           2HB      CYS  28  -9.407   1.884   1.967
  190    H    GLN  29           H        GLN  29 -11.027   4.339  -0.676
  191    HA   GLN  29           HA       GLN  29 -11.103   6.316   1.443
  192    HB2  GLN  29           1HB      GLN  29 -12.625   5.955  -1.128
  193    HB3  GLN  29           2HB      GLN  29 -13.094   7.164   0.060
  194    HG2  GLN  29           1HG      GLN  29 -10.271   7.102  -0.863
  195    HG3  GLN  29           2HG      GLN  29 -11.503   7.751  -1.943
  196   HE21  GLN  29          1HE2      GLN  29  -9.827   9.568  -1.421
  197   HE22  GLN  29          2HE2      GLN  29 -10.317  10.654  -0.170
  198    H    GLU  30           H        GLU  30 -12.896   3.507   0.390
  199    HA   GLU  30           HA       GLU  30 -15.229   3.922   1.919
  200    HB2  GLU  30           1HB      GLU  30 -15.321   2.313   0.172
  201    HB3  GLU  30           2HB      GLU  30 -13.937   1.436   0.809
  202    HG2  GLU  30           1HG      GLU  30 -15.605   0.067   1.505
  203    HG3  GLU  30           2HG      GLU  30 -15.515   1.145   2.897
  204    H    ASP  31           H        ASP  31 -12.080   2.650   2.702
  205    HA   ASP  31           HA       ASP  31 -13.007   2.124   5.450
  206    HB2  ASP  31           1HB      ASP  31 -10.727   0.860   3.916
  207    HB3  ASP  31           2HB      ASP  31 -11.033   0.599   5.631
  208    H    GLY  32           H        GLY  32 -10.769   3.823   3.426
  209    HA2  GLY  32           1HA      GLY  32  -9.510   5.698   3.956
  210    HA3  GLY  32           2HA      GLY  32  -9.997   5.511   5.634
  211    H    LYS  33           H        LYS  33  -8.583   2.858   3.886
  212    HA   LYS  33           HA       LYS  33  -6.015   3.313   5.244
  213    HB2  LYS  33           1HB      LYS  33  -5.891   0.921   5.796
  214    HB3  LYS  33           2HB      LYS  33  -7.266   1.695   6.572
  215    HG2  LYS  33           1HG      LYS  33  -8.782   0.507   5.388
  216    HG3  LYS  33           2HG      LYS  33  -7.764   0.431   3.948
  217    HD2  LYS  33           1HD      LYS  33  -6.864  -1.044   6.366
  218    HD3  LYS  33           2HD      LYS  33  -8.230  -1.701   5.461
  219    HE2  LYS  33           1HE      LYS  33  -6.956  -1.991   3.524
  220    HE3  LYS  33           2HE      LYS  33  -5.698  -0.886   4.076
  221    HZ1  LYS  33           3HZ      LYS  33  -6.036  -3.107   5.842
  222    HZ2  LYS  33           1HZ      LYS  33  -4.633  -2.535   5.088
  223    HZ3  LYS  33           2HZ      LYS  33  -5.654  -3.608   4.272
  224    H    VAL  34           H        VAL  34  -4.189   2.367   4.236
  225    HA   VAL  34           HA       VAL  34  -4.371   2.285   1.378
  226    HB   VAL  34           HB       VAL  34  -1.869   1.528   1.706
  227   HG11  VAL  34          1HG1      VAL  34  -2.938   3.793   0.997
  228   HG12  VAL  34          2HG1      VAL  34  -2.471   4.309   2.619
  229   HG13  VAL  34          3HG1      VAL  34  -1.245   3.739   1.486
  230   HG21  VAL  34          3HG2      VAL  34  -2.360   2.867   4.355
  231   HG22  VAL  34          1HG2      VAL  34  -2.301   1.114   4.169
  232   HG23  VAL  34          2HG2      VAL  34  -0.885   2.090   3.779
  233    H    ILE  35           H        ILE  35  -5.013   0.564   0.276
  234    HA   ILE  35           HA       ILE  35  -4.517  -2.110   1.394
  235    HB   ILE  35           HB       ILE  35  -6.302  -2.935   0.018
  236   HG12  ILE  35          1HG1      ILE  35  -6.544  -0.132  -1.095
  237   HG13  ILE  35          2HG1      ILE  35  -5.847  -1.501  -1.954
  238   HG21  ILE  35          1HG2      ILE  35  -6.665  -0.826   1.940
  239   HG22  ILE  35          2HG2      ILE  35  -7.983  -0.834   0.769
  240   HG23  ILE  35          3HG2      ILE  35  -7.614  -2.291   1.691
  241   HD11  ILE  35          3HD1      ILE  35  -8.065  -1.203  -2.736
  242   HD12  ILE  35          1HD1      ILE  35  -8.052  -2.650  -1.729
  243   HD13  ILE  35          2HD1      ILE  35  -8.701  -1.139  -1.092
  244    H    CYS  36           H        CYS  36  -4.132  -3.847  -0.253
  245    HA   CYS  36           HA       CYS  36  -2.230  -2.864  -2.271
  246    HB2  CYS  36           1HB      CYS  36  -1.082  -4.963  -2.087
  247    HB3  CYS  36           2HB      CYS  36  -1.354  -4.360  -0.456
  248    H    TRP  37           H        TRP  37  -1.956  -4.693  -4.061
  249    HA   TRP  37           HA       TRP  37  -4.130  -4.559  -5.740
  250    HB2  TRP  37           1HB      TRP  37  -2.417  -6.993  -5.913
  251    HB3  TRP  37           2HB      TRP  37  -2.945  -5.897  -7.187
  252    HD1  TRP  37           HD       TRP  37   0.151  -6.928  -6.166
  253    HE1  TRP  37           1HE      TRP  37   1.939  -5.078  -6.077
  254    HE3  TRP  37           3HE      TRP  37  -2.916  -2.839  -6.076
  255    HZ2  TRP  37           2HZ      TRP  37   2.035  -2.258  -5.980
  256    HZ3  TRP  37           3HZ      TRP  37  -1.896  -0.602  -5.985
  257    HH2  TRP  37           HH       TRP  37   0.528  -0.319  -5.937
  258    H    LEU  38           H        LEU  38  -3.133  -7.519  -4.009
  259    HA   LEU  38           HA       LEU  38  -5.297  -9.101  -4.557
  260    HB2  LEU  38           1HB      LEU  38  -3.578  -8.898  -2.108
  261    HB3  LEU  38           2HB      LEU  38  -4.862 -10.098  -2.234
  262    HG   LEU  38           HG       LEU  38  -2.552 -10.921  -2.768
  263   HD11  LEU  38          1HD1      LEU  38  -3.732 -11.525  -5.273
  264   HD12  LEU  38          2HD1      LEU  38  -5.023 -11.400  -4.078
  265   HD13  LEU  38          3HD1      LEU  38  -3.681 -12.513  -3.813
  266   HD21  LEU  38          3HD2      LEU  38  -1.819  -8.881  -3.966
  267   HD22  LEU  38          1HD2      LEU  38  -2.924  -9.292  -5.278
  268   HD23  LEU  38          2HD2      LEU  38  -1.573 -10.360  -4.897
  269    H    CYS  39           H        CYS  39  -5.002  -6.710  -1.958
  270    HA   CYS  39           HA       CYS  39  -7.472  -7.209  -0.723
  271    HB2  CYS  39           1HB      CYS  39  -5.665  -4.807  -0.829
  272    HB3  CYS  39           2HB      CYS  39  -7.209  -4.741   0.016
  273    H    GLU  40           H        GLU  40  -6.621  -4.574  -2.976
  274    HA   GLU  40           HA       GLU  40  -9.138  -3.505  -3.325
  275    HB2  GLU  40           1HB      GLU  40  -7.217  -2.387  -4.228
  276    HB3  GLU  40           2HB      GLU  40  -6.855  -3.744  -5.285
  277    HG2  GLU  40           1HG      GLU  40  -9.332  -2.050  -5.488
  278    HG3  GLU  40           2HG      GLU  40  -7.869  -1.800  -6.438
  279    H    ARG  41           H        ARG  41  -7.653  -6.232  -5.021
  280    HA   ARG  41           HA       ARG  41  -9.989  -6.646  -6.673
  281    HB2  ARG  41           1HB      ARG  41  -8.755  -8.273  -7.793
  282    HB3  ARG  41           2HB      ARG  41  -7.523  -7.123  -7.291
  283    HG2  ARG  41           1HG      ARG  41  -7.099  -8.593  -5.303
  284    HG3  ARG  41           2HG      ARG  41  -8.164  -9.785  -6.052
  285    HD2  ARG  41           1HD      ARG  41  -5.792  -8.620  -7.484
  286    HD3  ARG  41           2HD      ARG  41  -5.662 -10.045  -6.453
  287    HE   ARG  41           HE       ARG  41  -7.694 -10.190  -8.505
  288   HH11  ARG  41          2HH1      ARG  41  -4.393 -10.857  -7.623
  289   HH12  ARG  41          1HH1      ARG  41  -4.184 -12.088  -8.825
  290   HH21  ARG  41          2HH2      ARG  41  -7.431 -11.808 -10.091
  291   HH22  ARG  41          1HH2      ARG  41  -5.912 -12.627 -10.229
  292    H    SER  42           H        SER  42  -9.141  -7.404  -3.533
  293    HA   SER  42           HA       SER  42 -10.414  -9.989  -3.395
  294    HB2  SER  42           1HB      SER  42  -9.026  -8.178  -1.486
  295    HB3  SER  42           2HB      SER  42 -10.192  -9.316  -0.812
  296    HG   SER  42           HG       SER  42  -7.724  -9.777  -1.966
  297    H    GLN  43           H        GLN  43 -12.369 -10.474  -2.381
  298    HA   GLN  43           HA       GLN  43 -14.503  -8.755  -2.854
  299    HB2  GLN  43           1HB      GLN  43 -14.131 -11.276  -1.325
  300    HB3  GLN  43           2HB      GLN  43 -15.590 -10.349  -1.002
  301    HG2  GLN  43           1HG      GLN  43 -16.303 -11.760  -2.656
  302    HG3  GLN  43           2HG      GLN  43 -15.833 -10.340  -3.590
  303   HE21  GLN  43          1HE2      GLN  43 -16.039 -12.803  -4.769
  304   HE22  GLN  43          2HE2      GLN  43 -14.468 -13.365  -5.218
  305    H    GLU  44           H        GLU  44 -12.261  -8.772  -0.283
  306    HA   GLU  44           HA       GLU  44 -13.895  -7.600   1.730
  307    HB2  GLU  44           1HB      GLU  44 -11.733  -8.805   2.140
  308    HB3  GLU  44           2HB      GLU  44 -10.892  -7.419   1.458
  309    HG2  GLU  44           1HG      GLU  44 -10.754  -6.991   3.705
  310    HG3  GLU  44           2HG      GLU  44 -12.191  -6.074   3.257
  311    H    HIS  45           H        HIS  45 -11.630  -6.283  -0.658
  312    HA   HIS  45           HA       HIS  45 -12.706  -3.601  -0.079
  313    HB2  HIS  45           1HB      HIS  45  -9.954  -4.429  -1.006
  314    HB3  HIS  45           2HB      HIS  45 -10.523  -2.763  -1.047
  315    HD2  HIS  45           2HD      HIS  45  -8.944  -5.241   1.397
  316    HE1  HIS  45           1HE      HIS  45 -10.161  -1.868   3.664
  317    HE2  HIS  45           2HE      HIS  45  -8.770  -3.967   3.642
  318    H    ARG  46           H        ARG  46 -13.463  -5.842  -2.031
  319    HA   ARG  46           HA       ARG  46 -12.879  -5.007  -4.649
  320    HB2  ARG  46           1HB      ARG  46 -14.629  -6.477  -5.358
  321    HB3  ARG  46           2HB      ARG  46 -13.826  -7.231  -3.987
  322    HG2  ARG  46           1HG      ARG  46 -15.621  -6.872  -2.570
  323    HG3  ARG  46           2HG      ARG  46 -16.284  -5.583  -3.577
  324    HD2  ARG  46           1HD      ARG  46 -17.227  -7.053  -5.074
  325    HD3  ARG  46           2HD      ARG  46 -16.077  -8.336  -4.698
  326    HE   ARG  46           HE       ARG  46 -17.430  -8.166  -2.409
  327   HH11  ARG  46          2HH1      ARG  46 -18.537  -8.263  -5.708
  328   HH12  ARG  46          1HH1      ARG  46 -20.033  -9.046  -5.321
  329   HH21  ARG  46          2HH2      ARG  46 -19.396  -9.197  -1.886
  330   HH22  ARG  46          1HH2      ARG  46 -20.521  -9.576  -3.146
  331    H    GLY  47           H        GLY  47 -13.883  -3.634  -6.061
  332    HA2  GLY  47           1HA      GLY  47 -15.137  -1.841  -6.753
  333    HA3  GLY  47           2HA      GLY  47 -16.423  -2.497  -5.750
  334    H    HIS  48           H        HIS  48 -13.360  -1.596  -4.367
  335    HA   HIS  48           HA       HIS  48 -14.717   0.536  -2.883
  336    HB2  HIS  48           1HB      HIS  48 -12.222  -1.069  -2.365
  337    HB3  HIS  48           2HB      HIS  48 -12.573   0.404  -1.466
  338    HD2  HIS  48           2HD      HIS  48 -15.673  -1.762  -2.149
  339    HE1  HIS  48           1HE      HIS  48 -14.442  -2.527   1.838
  340    HE2  HIS  48           2HE      HIS  48 -16.211  -2.936   0.092
  341    H    HIS  49           H        HIS  49 -14.121   2.635  -3.000
  342    HA   HIS  49           HA       HIS  49 -12.694   3.560  -5.237
  343    HB2  HIS  49           1HB      HIS  49 -13.423   5.010  -2.683
  344    HB3  HIS  49           2HB      HIS  49 -12.850   5.789  -4.156
  345    HD1  HIS  49           1HD      HIS  49 -15.710   6.144  -2.729
  346    HD2  HIS  49           2HD      HIS  49 -14.874   3.953  -6.159
  347    HE1  HIS  49           1HE      HIS  49 -17.887   5.997  -3.980
  348    HE2  HIS  49           2HE      HIS  49 -17.376   4.595  -6.009
  349    H    THR  50           H        THR  50 -10.586   3.656  -5.595
  350    HA   THR  50           HA       THR  50  -8.767   4.028  -3.316
  351    HB   THR  50           HB       THR  50  -7.147   2.488  -4.586
  352    HG1  THR  50           1HG      THR  50  -8.621   0.802  -5.683
  353   HG21  THR  50          3HG2      THR  50  -8.602   2.023  -2.459
  354   HG22  THR  50          1HG2      THR  50  -7.767   0.696  -3.265
  355   HG23  THR  50          2HG2      THR  50  -9.490   0.952  -3.543
  356    H    PHE  51           H        PHE  51  -6.903   5.201  -3.734
  357    HA   PHE  51           HA       PHE  51  -6.540   6.241  -6.450
  358    HB2  PHE  51           1HB      PHE  51  -6.644   7.964  -3.965
  359    HB3  PHE  51           2HB      PHE  51  -6.257   8.526  -5.588
  360    HD1  PHE  51           1HD      PHE  51  -8.935   7.102  -3.482
  361    HD2  PHE  51           2HD      PHE  51  -7.952   9.058  -7.132
  362    HE1  PHE  51           1HE      PHE  51 -11.325   7.504  -3.906
  363    HE2  PHE  51           2HE      PHE  51 -10.341   9.464  -7.561
  364    HZ   PHE  51           HZ       PHE  51 -12.030   8.687  -5.947
  365    HA   PRO  52           HA       PRO  52  -2.276   5.504  -5.693
  366    HB2  PRO  52           1HB      PRO  52  -1.170   7.303  -7.399
  367    HB3  PRO  52           2HB      PRO  52  -1.962   5.821  -7.947
  368    HG2  PRO  52           1HG      PRO  52  -3.037   8.613  -7.836
  369    HG3  PRO  52           2HG      PRO  52  -3.202   7.401  -9.119
  370    HD2  PRO  52           1HD      PRO  52  -5.169   7.903  -7.327
  371    HD3  PRO  52           2HD      PRO  52  -4.903   6.293  -8.027
  372    H    THR  53           H        THR  53  -2.500   6.387  -3.473
  373    HA   THR  53           HA       THR  53  -1.922   9.137  -2.965
  374    HB   THR  53           HB       THR  53  -3.189   7.752  -1.362
  375    HG1  THR  53           1HG      THR  53  -2.454   9.190  -0.006
  376   HG21  THR  53          3HG2      THR  53  -0.544   6.420  -0.775
  377   HG22  THR  53          1HG2      THR  53  -1.859   5.673  -1.680
  378   HG23  THR  53          2HG2      THR  53  -2.089   6.104   0.014
  379    H    SER  54           H        SER  54  -0.024   6.195  -3.181
  380    HA   SER  54           HA       SER  54   2.391   7.585  -2.317
  381    HB2  SER  54           1HB      SER  54   1.891   5.257  -1.533
  382    HB3  SER  54           2HB      SER  54   2.089   4.704  -3.196
  383    HG   SER  54           HG       SER  54   4.182   4.876  -3.002
  384    H    GLY  55           H        GLY  55   1.111   5.914  -5.175
  385    HA2  GLY  55           1HA      GLY  55   3.153   5.904  -6.927
  386    HA3  GLY  55           2HA      GLY  55   1.530   6.374  -7.410
  387    HA   PRO  56           HA       PRO  56   4.527  10.182  -6.810
  388    HB2  PRO  56           1HB      PRO  56   6.825   9.719  -8.179
  389    HB3  PRO  56           2HB      PRO  56   6.646   9.369  -6.456
  390    HG2  PRO  56           1HG      PRO  56   6.465   7.510  -8.796
  391    HG3  PRO  56           2HG      PRO  56   7.270   7.268  -7.234
  392    HD2  PRO  56           1HD      PRO  56   4.840   6.217  -7.798
  393    HD3  PRO  56           2HD      PRO  56   5.304   6.726  -6.162
  394    H    SER  57           H        SER  57   5.079  11.774  -8.466
  395    HA   SER  57           HA       SER  57   3.517  11.343 -10.871
  396    HB2  SER  57           1HB      SER  57   3.909  13.761 -11.266
  397    HB3  SER  57           2HB      SER  57   3.229  13.445  -9.670
  398    HG   SER  57           HG       SER  57   5.794  14.299 -10.383
  399    H    SER  58           H        SER  58   6.861  12.172 -10.024
  400    HA   SER  58           HA       SER  58   8.047  12.623 -12.396
  401    HB2  SER  58           1HB      SER  58   9.074  10.816 -10.197
  402    HB3  SER  58           2HB      SER  58  10.067  11.428 -11.519
  403    HG   SER  58           HG       SER  58   9.900  12.624  -9.362
  404    H    GLY  59           H        GLY  59   7.310   9.377 -11.133
  405    HA2  GLY  59           1HA      GLY  59   7.848   8.287 -13.816
  406    HA3  GLY  59           2HA      GLY  59   7.836   7.355 -12.326
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  20.239 -19.793  -8.612
    2    HA2  GLY   1           1HA      GLY   1  21.869 -19.241  -7.034
    3    HA3  GLY   1           2HA      GLY   1  20.424 -18.675  -6.210
    4    H    SER   2           H        SER   2  20.235 -19.355  -4.193
    5    HA   SER   2           HA       SER   2  21.085 -22.078  -3.519
    6    HB2  SER   2           1HB      SER   2  22.941 -20.564  -2.909
    7    HB3  SER   2           2HB      SER   2  21.834 -19.626  -1.907
    8    HG   SER   2           HG       SER   2  23.231 -21.604  -1.091
    9    H    SER   3           H        SER   3  20.099 -22.937  -1.611
   10    HA   SER   3           HA       SER   3  17.405 -21.969  -1.246
   11    HB2  SER   3           1HB      SER   3  17.692 -24.351  -1.406
   12    HB3  SER   3           2HB      SER   3  18.889 -24.348  -0.112
   13    HG   SER   3           HG       SER   3  16.103 -23.927   0.054
   14    H    GLY   4           H        GLY   4  16.888 -20.464   0.188
   15    HA2  GLY   4           1HA      GLY   4  17.428 -20.579   2.911
   16    HA3  GLY   4           2HA      GLY   4  18.668 -19.556   2.202
   17    H    SER   5           H        SER   5  17.826 -17.765   0.775
   18    HA   SER   5           HA       SER   5  15.179 -16.806   1.558
   19    HB2  SER   5           1HB      SER   5  16.661 -15.833   3.230
   20    HB3  SER   5           2HB      SER   5  17.729 -15.225   1.966
   21    HG   SER   5           HG       SER   5  16.509 -13.509   2.210
   22    H    SER   6           H        SER   6  14.149 -15.735  -0.031
   23    HA   SER   6           HA       SER   6  15.723 -14.936  -2.390
   24    HB2  SER   6           1HB      SER   6  13.050 -16.348  -2.308
   25    HB3  SER   6           2HB      SER   6  13.711 -15.599  -3.761
   26    HG   SER   6           HG       SER   6  14.563 -17.525  -3.982
   27    H    GLY   7           H        GLY   7  15.484 -12.878  -2.966
   28    HA2  GLY   7           1HA      GLY   7  12.965 -11.502  -2.347
   29    HA3  GLY   7           2HA      GLY   7  14.467 -10.814  -1.746
   30    H    SER   8           H        SER   8  14.133 -12.425  -4.848
   31    HA   SER   8           HA       SER   8  15.339 -10.290  -6.249
   32    HB2  SER   8           1HB      SER   8  15.146 -12.829  -6.855
   33    HB3  SER   8           2HB      SER   8  13.641 -12.341  -7.634
   34    HG   SER   8           HG       SER   8  16.257 -11.394  -8.179
   35    HA   PRO   9           HA       PRO   9  10.830  -9.426  -7.831
   36    HB2  PRO   9           1HB      PRO   9   8.821 -10.413  -6.295
   37    HB3  PRO   9           2HB      PRO   9   9.526 -11.309  -7.645
   38    HG2  PRO   9           1HG      PRO   9  10.075 -11.560  -4.713
   39    HG3  PRO   9           2HG      PRO   9   9.863 -12.837  -5.925
   40    HD2  PRO   9           1HD      PRO   9  12.301 -12.051  -5.048
   41    HD3  PRO   9           2HD      PRO   9  12.024 -12.631  -6.702
   42    H    GLU  10           H        GLU  10  11.694  -9.507  -4.460
   43    HA   GLU  10           HA       GLU  10  10.141  -7.063  -3.962
   44    HB2  GLU  10           1HB      GLU  10  11.138  -9.270  -2.226
   45    HB3  GLU  10           2HB      GLU  10  11.010  -7.665  -1.519
   46    HG2  GLU  10           1HG      GLU  10   8.973  -8.613  -1.009
   47    HG3  GLU  10           2HG      GLU  10   8.613  -7.682  -2.461
   48    H    GLY  11           H        GLY  11  11.162  -5.335  -2.734
   49    HA2  GLY  11           1HA      GLY  11  14.081  -5.224  -3.183
   50    HA3  GLY  11           2HA      GLY  11  13.027  -3.854  -3.499
   51    H    GLN  12           H        GLN  12  11.970  -2.832  -1.689
   52    HA   GLN  12           HA       GLN  12  13.326  -3.326   0.878
   53    HB2  GLN  12           1HB      GLN  12  13.001  -0.801  -0.660
   54    HB3  GLN  12           2HB      GLN  12  12.859  -0.706   1.090
   55    HG2  GLN  12           1HG      GLN  12  15.054  -1.300   1.438
   56    HG3  GLN  12           2HG      GLN  12  15.191  -2.112  -0.121
   57   HE21  GLN  12          1HE2      GLN  12  14.778   1.075   1.349
   58   HE22  GLN  12          2HE2      GLN  12  15.650   1.943   0.136
   59    H    LYS  13           H        LYS  13  11.981  -3.739   2.494
   60    HA   LYS  13           HA       LYS  13   9.232  -3.915   2.267
   61    HB2  LYS  13           1HB      LYS  13   9.220  -3.931   4.777
   62    HB3  LYS  13           2HB      LYS  13  10.346  -5.065   4.042
   63    HG2  LYS  13           1HG      LYS  13  12.160  -3.399   4.420
   64    HG3  LYS  13           2HG      LYS  13  10.998  -2.419   5.317
   65    HD2  LYS  13           1HD      LYS  13  10.612  -4.408   6.799
   66    HD3  LYS  13           2HD      LYS  13  11.965  -5.195   5.984
   67    HE2  LYS  13           1HE      LYS  13  13.198  -2.950   6.611
   68    HE3  LYS  13           2HE      LYS  13  11.951  -2.878   7.855
   69    HZ1  LYS  13           3HZ      LYS  13  12.674  -4.914   8.764
   70    HZ2  LYS  13           1HZ      LYS  13  14.077  -4.006   8.505
   71    HZ3  LYS  13           2HZ      LYS  13  13.670  -5.255   7.440
   72    H    VAL  14           H        VAL  14   7.963  -2.269   1.671
   73    HA   VAL  14           HA       VAL  14   7.963   0.133   3.351
   74    HB   VAL  14           HB       VAL  14   9.185   0.915   1.479
   75   HG11  VAL  14          1HG1      VAL  14   7.103  -0.048  -0.448
   76   HG12  VAL  14          2HG1      VAL  14   8.772   0.431  -0.760
   77   HG13  VAL  14          3HG1      VAL  14   8.429  -1.095   0.055
   78   HG21  VAL  14          3HG2      VAL  14   6.302   1.658   0.993
   79   HG22  VAL  14          1HG2      VAL  14   7.339   2.368   2.230
   80   HG23  VAL  14          2HG2      VAL  14   7.723   2.591   0.523
   81    H    ASP  15           H        ASP  15   6.033  -0.117   4.311
   82    HA   ASP  15           HA       ASP  15   3.789  -0.374   4.614
   83    HB2  ASP  15           1HB      ASP  15   4.064   1.166   2.083
   84    HB3  ASP  15           2HB      ASP  15   2.467   0.533   2.473
   85    H    HIS  16           H        HIS  16   4.934  -2.727   3.937
   86    HA   HIS  16           HA       HIS  16   3.543  -3.947   1.720
   87    HB2  HIS  16           1HB      HIS  16   5.566  -4.847   3.727
   88    HB3  HIS  16           2HB      HIS  16   4.620  -6.066   2.878
   89    HD1  HIS  16           1HD      HIS  16   6.244  -2.880   1.571
   90    HD2  HIS  16           2HD      HIS  16   6.262  -6.986   0.939
   91    HE1  HIS  16           1HE      HIS  16   7.756  -3.249  -0.405
   92    HE2  HIS  16           2HE      HIS  16   7.684  -5.732  -0.821
   93    H    CYS  17           H        CYS  17   1.705  -5.091   1.786
   94    HA   CYS  17           HA       CYS  17  -0.038  -4.937   3.964
   95    HB2  CYS  17           1HB      CYS  17  -0.686  -5.328   1.571
   96    HB3  CYS  17           2HB      CYS  17  -0.136  -6.991   1.747
   97    H    ALA  18           H        ALA  18  -0.280  -6.104   5.758
   98    HA   ALA  18           HA       ALA  18   1.571  -8.227   6.339
   99    HB1  ALA  18           3HB      ALA  18  -0.420  -6.652   7.855
  100    HB2  ALA  18           1HB      ALA  18  -0.045  -8.263   8.469
  101    HB3  ALA  18           2HB      ALA  18   1.243  -7.075   8.261
  102    H    ARG  19           H        ARG  19  -1.180  -8.210   4.591
  103    HA   ARG  19           HA       ARG  19  -2.132 -10.809   5.567
  104    HB2  ARG  19           1HB      ARG  19  -3.901  -9.208   5.346
  105    HB3  ARG  19           2HB      ARG  19  -3.376  -8.766   3.727
  106    HG2  ARG  19           1HG      ARG  19  -4.102 -10.837   2.830
  107    HG3  ARG  19           2HG      ARG  19  -4.360 -11.514   4.439
  108    HD2  ARG  19           1HD      ARG  19  -6.012  -9.506   4.697
  109    HD3  ARG  19           2HD      ARG  19  -5.988  -9.514   2.934
  110    HE   ARG  19           HE       ARG  19  -6.519 -12.072   4.180
  111   HH11  ARG  19          2HH1      ARG  19  -7.849  -9.160   2.812
  112   HH12  ARG  19          1HH1      ARG  19  -9.395  -9.867   2.478
  113   HH21  ARG  19          2HH2      ARG  19  -8.550 -13.015   3.744
  114   HH22  ARG  19          1HH2      ARG  19  -9.793 -12.060   3.009
  115    H    HIS  20           H        HIS  20  -0.990  -9.157   2.657
  116    HA   HIS  20           HA       HIS  20  -0.586 -11.796   1.408
  117    HB2  HIS  20           1HB      HIS  20  -0.948  -9.177  -0.054
  118    HB3  HIS  20           2HB      HIS  20  -0.910 -10.793  -0.753
  119    HD2  HIS  20           2HD      HIS  20  -3.277 -12.315  -0.350
  120    HE1  HIS  20           1HE      HIS  20  -5.585  -9.000   0.947
  121    HE2  HIS  20           2HE      HIS  20  -5.626 -11.424   0.267
  122    H    GLY  21           H        GLY  21   0.763  -8.610   2.025
  123    HA2  GLY  21           1HA      GLY  21   3.107  -8.380   2.508
  124    HA3  GLY  21           2HA      GLY  21   3.422  -9.711   1.404
  125    H    GLU  22           H        GLU  22   1.275  -8.199  -0.335
  126    HA   GLU  22           HA       GLU  22   3.142  -7.014  -2.090
  127    HB2  GLU  22           1HB      GLU  22   0.161  -7.130  -1.936
  128    HB3  GLU  22           2HB      GLU  22   0.905  -5.985  -3.044
  129    HG2  GLU  22           1HG      GLU  22   0.253  -8.342  -3.882
  130    HG3  GLU  22           2HG      GLU  22   1.792  -7.636  -4.375
  131    H    LYS  23           H        LYS  23   3.664  -4.899  -2.503
  132    HA   LYS  23           HA       LYS  23   3.695  -3.094  -0.364
  133    HB2  LYS  23           1HB      LYS  23   4.188  -2.768  -3.316
  134    HB3  LYS  23           2HB      LYS  23   4.304  -1.406  -2.209
  135    HG2  LYS  23           1HG      LYS  23   6.141  -2.316  -1.094
  136    HG3  LYS  23           2HG      LYS  23   5.847  -3.932  -1.740
  137    HD2  LYS  23           1HD      LYS  23   7.703  -3.077  -2.931
  138    HD3  LYS  23           2HD      LYS  23   6.325  -2.960  -4.028
  139    HE2  LYS  23           1HE      LYS  23   6.085  -0.608  -3.536
  140    HE3  LYS  23           2HE      LYS  23   7.358  -0.699  -2.320
  141    HZ1  LYS  23           3HZ      LYS  23   7.708  -0.023  -4.921
  142    HZ2  LYS  23           1HZ      LYS  23   8.187  -1.646  -4.900
  143    HZ3  LYS  23           2HZ      LYS  23   8.932  -0.531  -3.869
  144    H    LEU  24           H        LEU  24   2.377  -1.482   0.279
  145    HA   LEU  24           HA       LEU  24  -0.245  -1.322  -0.961
  146    HB2  LEU  24           1HB      LEU  24   0.799   0.083   1.492
  147    HB3  LEU  24           2HB      LEU  24  -0.885  -0.034   0.984
  148    HG   LEU  24           HG       LEU  24   0.652  -2.527   1.577
  149   HD11  LEU  24          1HD1      LEU  24   0.331  -0.436   3.446
  150   HD12  LEU  24          2HD1      LEU  24   0.897  -2.081   3.732
  151   HD13  LEU  24          3HD1      LEU  24  -0.819  -1.703   3.873
  152   HD21  LEU  24          3HD2      LEU  24  -2.049  -2.382   2.533
  153   HD22  LEU  24          1HD2      LEU  24  -1.344  -3.463   1.331
  154   HD23  LEU  24          2HD2      LEU  24  -1.979  -1.892   0.839
  155    H    LEU  25           H        LEU  25  -0.260  -0.082  -2.746
  156    HA   LEU  25           HA       LEU  25   0.882   2.627  -2.530
  157    HB2  LEU  25           1HB      LEU  25   0.454   1.036  -5.053
  158    HB3  LEU  25           2HB      LEU  25   1.240   2.607  -4.913
  159    HG   LEU  25           HG       LEU  25   2.309   0.042  -3.738
  160   HD11  LEU  25          1HD1      LEU  25   2.237   0.770  -6.411
  161   HD12  LEU  25          2HD1      LEU  25   3.303  -0.423  -5.670
  162   HD13  LEU  25          3HD1      LEU  25   3.849   1.242  -5.872
  163   HD21  LEU  25          3HD2      LEU  25   2.862   2.468  -2.831
  164   HD22  LEU  25          1HD2      LEU  25   3.953   2.468  -4.217
  165   HD23  LEU  25          2HD2      LEU  25   4.104   1.223  -2.977
  166    H    LEU  26           H        LEU  26  -1.904   1.264  -2.111
  167    HA   LEU  26           HA       LEU  26  -3.397   3.332  -3.580
  168    HB2  LEU  26           1HB      LEU  26  -4.417   0.570  -2.946
  169    HB3  LEU  26           2HB      LEU  26  -5.235   1.817  -3.886
  170    HG   LEU  26           HG       LEU  26  -2.635   0.601  -4.778
  171   HD11  LEU  26          1HD1      LEU  26  -4.210  -0.742  -6.319
  172   HD12  LEU  26          2HD1      LEU  26  -5.423  -0.445  -5.074
  173   HD13  LEU  26          3HD1      LEU  26  -3.940  -1.312  -4.672
  174   HD21  LEU  26          3HD2      LEU  26  -4.625   1.470  -6.730
  175   HD22  LEU  26          1HD2      LEU  26  -2.900   1.823  -6.632
  176   HD23  LEU  26          2HD2      LEU  26  -4.048   2.767  -5.682
  177    H    PHE  27           H        PHE  27  -5.048   4.354  -2.486
  178    HA   PHE  27           HA       PHE  27  -5.274   3.708   0.381
  179    HB2  PHE  27           1HB      PHE  27  -4.084   5.857  -0.132
  180    HB3  PHE  27           2HB      PHE  27  -5.572   6.446  -0.865
  181    HD1  PHE  27           1HD      PHE  27  -7.588   6.778   0.545
  182    HD2  PHE  27           2HD      PHE  27  -3.782   5.851   2.210
  183    HE1  PHE  27           1HE      PHE  27  -8.365   7.557   2.746
  184    HE2  PHE  27           2HE      PHE  27  -4.553   6.628   4.413
  185    HZ   PHE  27           HZ       PHE  27  -6.847   7.481   4.684
  186    H    CYS  28           H        CYS  28  -7.167   2.723   0.676
  187    HA   CYS  28           HA       CYS  28  -9.433   3.128  -1.002
  188    HB2  CYS  28           1HB      CYS  28  -8.923   1.006   0.230
  189    HB3  CYS  28           2HB      CYS  28  -9.358   1.827   1.726
  190    H    GLN  29           H        GLN  29 -11.206   4.381  -0.734
  191    HA   GLN  29           HA       GLN  29 -11.056   6.456   1.295
  192    HB2  GLN  29           1HB      GLN  29 -12.635   6.055  -1.215
  193    HB3  GLN  29           2HB      GLN  29 -13.212   7.199  -0.011
  194    HG2  GLN  29           1HG      GLN  29 -10.384   7.369  -0.918
  195    HG3  GLN  29           2HG      GLN  29 -11.663   7.965  -1.975
  196   HE21  GLN  29          1HE2      GLN  29 -10.003   8.393   1.047
  197   HE22  GLN  29          2HE2      GLN  29 -10.608   9.974   1.389
  198    H    GLU  30           H        GLU  30 -13.273   3.886   0.277
  199    HA   GLU  30           HA       GLU  30 -15.362   4.376   2.038
  200    HB2  GLU  30           1HB      GLU  30 -14.308   1.858   0.782
  201    HB3  GLU  30           2HB      GLU  30 -15.664   1.804   1.899
  202    HG2  GLU  30           1HG      GLU  30 -15.673   3.614  -0.487
  203    HG3  GLU  30           2HG      GLU  30 -16.165   1.925  -0.601
  204    H    ASP  31           H        ASP  31 -12.330   2.657   2.555
  205    HA   ASP  31           HA       ASP  31 -13.073   2.164   5.349
  206    HB2  ASP  31           1HB      ASP  31 -10.848   1.079   3.618
  207    HB3  ASP  31           2HB      ASP  31 -10.944   0.786   5.353
  208    H    GLY  32           H        GLY  32 -10.794   3.908   3.335
  209    HA2  GLY  32           1HA      GLY  32  -9.615   5.834   3.892
  210    HA3  GLY  32           2HA      GLY  32 -10.143   5.642   5.557
  211    H    LYS  33           H        LYS  33  -8.611   3.040   3.815
  212    HA   LYS  33           HA       LYS  33  -6.112   3.523   5.290
  213    HB2  LYS  33           1HB      LYS  33  -5.989   0.992   5.566
  214    HB3  LYS  33           2HB      LYS  33  -7.146   1.841   6.582
  215    HG2  LYS  33           1HG      LYS  33  -8.938   0.903   5.569
  216    HG3  LYS  33           2HG      LYS  33  -8.145   0.819   3.995
  217    HD2  LYS  33           1HD      LYS  33  -7.290  -1.234   4.392
  218    HD3  LYS  33           2HD      LYS  33  -6.982  -0.889   6.095
  219    HE2  LYS  33           1HE      LYS  33  -9.813  -1.103   5.256
  220    HE3  LYS  33           2HE      LYS  33  -8.871  -2.593   5.270
  221    HZ1  LYS  33           3HZ      LYS  33 -10.126  -1.642   7.403
  222    HZ2  LYS  33           1HZ      LYS  33  -8.621  -0.900   7.619
  223    HZ3  LYS  33           2HZ      LYS  33  -8.725  -2.585   7.503
  224    H    VAL  34           H        VAL  34  -4.382   1.875   4.448
  225    HA   VAL  34           HA       VAL  34  -4.349   2.170   1.538
  226    HB   VAL  34           HB       VAL  34  -1.890   1.335   1.965
  227   HG11  VAL  34          1HG1      VAL  34  -2.407   4.097   2.958
  228   HG12  VAL  34          2HG1      VAL  34  -1.209   3.521   1.797
  229   HG13  VAL  34          3HG1      VAL  34  -2.901   3.671   1.320
  230   HG21  VAL  34          3HG2      VAL  34  -2.697   1.045   4.486
  231   HG22  VAL  34          1HG2      VAL  34  -1.040   1.483   4.069
  232   HG23  VAL  34          2HG2      VAL  34  -2.184   2.730   4.565
  233    H    ILE  35           H        ILE  35  -4.850   0.500   0.296
  234    HA   ILE  35           HA       ILE  35  -4.475  -2.219   1.369
  235    HB   ILE  35           HB       ILE  35  -6.267  -2.979  -0.042
  236   HG12  ILE  35          1HG1      ILE  35  -6.630  -0.137  -0.999
  237   HG13  ILE  35          2HG1      ILE  35  -5.737  -1.350  -1.909
  238   HG21  ILE  35          1HG2      ILE  35  -7.560  -2.401   1.670
  239   HG22  ILE  35          2HG2      ILE  35  -6.612  -0.946   1.967
  240   HG23  ILE  35          3HG2      ILE  35  -7.938  -0.911   0.805
  241   HD11  ILE  35          3HD1      ILE  35  -7.760  -2.734  -2.007
  242   HD12  ILE  35          1HD1      ILE  35  -8.645  -1.474  -1.147
  243   HD13  ILE  35          2HD1      ILE  35  -7.986  -1.152  -2.752
  244    H    CYS  36           H        CYS  36  -4.135  -3.899  -0.361
  245    HA   CYS  36           HA       CYS  36  -2.276  -2.849  -2.392
  246    HB2  CYS  36           1HB      CYS  36  -1.036  -4.905  -2.228
  247    HB3  CYS  36           2HB      CYS  36  -1.263  -4.272  -0.601
  248    H    TRP  37           H        TRP  37  -1.985  -4.552  -4.233
  249    HA   TRP  37           HA       TRP  37  -4.185  -4.575  -5.837
  250    HB2  TRP  37           1HB      TRP  37  -2.416  -6.967  -6.018
  251    HB3  TRP  37           2HB      TRP  37  -2.983  -5.887  -7.289
  252    HD1  TRP  37           HD       TRP  37   0.138  -6.843  -6.032
  253    HE1  TRP  37           1HE      TRP  37   1.893  -4.960  -6.083
  254    HE3  TRP  37           3HE      TRP  37  -2.988  -2.835  -6.573
  255    HZ2  TRP  37           2HZ      TRP  37   1.944  -2.148  -6.320
  256    HZ3  TRP  37           3HZ      TRP  37  -2.006  -0.582  -6.703
  257    HH2  TRP  37           HH       TRP  37   0.409  -0.248  -6.579
  258    H    LEU  38           H        LEU  38  -3.066  -7.498  -4.116
  259    HA   LEU  38           HA       LEU  38  -5.176  -9.154  -4.589
  260    HB2  LEU  38           1HB      LEU  38  -3.467  -8.828  -2.145
  261    HB3  LEU  38           2HB      LEU  38  -4.701 -10.082  -2.248
  262    HG   LEU  38           HG       LEU  38  -2.386 -10.856  -2.756
  263   HD11  LEU  38          1HD1      LEU  38  -3.932 -12.325  -3.583
  264   HD12  LEU  38          2HD1      LEU  38  -3.126 -11.843  -5.075
  265   HD13  LEU  38          3HD1      LEU  38  -4.676 -11.124  -4.639
  266   HD21  LEU  38          3HD2      LEU  38  -1.333 -10.246  -4.820
  267   HD22  LEU  38          1HD2      LEU  38  -1.687  -8.770  -3.922
  268   HD23  LEU  38          2HD2      LEU  38  -2.708  -9.240  -5.281
  269    H    CYS  39           H        CYS  39  -4.940  -6.793  -1.941
  270    HA   CYS  39           HA       CYS  39  -7.407  -7.324  -0.745
  271    HB2  CYS  39           1HB      CYS  39  -5.712  -4.835  -0.865
  272    HB3  CYS  39           2HB      CYS  39  -7.220  -4.892   0.042
  273    H    GLU  40           H        GLU  40  -6.573  -4.859  -3.177
  274    HA   GLU  40           HA       GLU  40  -9.118  -3.768  -3.489
  275    HB2  GLU  40           1HB      GLU  40  -7.236  -2.638  -4.434
  276    HB3  GLU  40           2HB      GLU  40  -6.823  -4.026  -5.429
  277    HG2  GLU  40           1HG      GLU  40  -8.457  -3.592  -6.965
  278    HG3  GLU  40           2HG      GLU  40  -9.484  -2.757  -5.801
  279    H    ARG  41           H        ARG  41  -7.610  -6.534  -5.093
  280    HA   ARG  41           HA       ARG  41  -9.974  -7.025  -6.699
  281    HB2  ARG  41           1HB      ARG  41  -7.347  -8.489  -6.427
  282    HB3  ARG  41           2HB      ARG  41  -8.655  -9.034  -7.468
  283    HG2  ARG  41           1HG      ARG  41  -8.528  -6.855  -8.662
  284    HG3  ARG  41           2HG      ARG  41  -7.104  -6.467  -7.694
  285    HD2  ARG  41           1HD      ARG  41  -5.822  -8.134  -8.690
  286    HD3  ARG  41           2HD      ARG  41  -7.239  -9.013  -9.265
  287    HE   ARG  41           HE       ARG  41  -7.300  -6.587 -10.557
  288   HH11  ARG  41          2HH1      ARG  41  -5.077  -9.255 -10.314
  289   HH12  ARG  41          1HH1      ARG  41  -4.419  -9.021 -11.899
  290   HH21  ARG  41          2HH2      ARG  41  -6.443  -6.269 -12.646
  291   HH22  ARG  41          1HH2      ARG  41  -5.196  -7.321 -13.225
  292    H    SER  42           H        SER  42  -9.757  -7.282  -3.632
  293    HA   SER  42           HA       SER  42 -10.822 -10.024  -3.444
  294    HB2  SER  42           1HB      SER  42  -9.110  -8.409  -1.622
  295    HB3  SER  42           2HB      SER  42 -10.300  -9.476  -0.876
  296    HG   SER  42           HG       SER  42  -8.138 -10.139  -2.563
  297    H    GLN  43           H        GLN  43 -12.832 -10.332  -2.656
  298    HA   GLN  43           HA       GLN  43 -14.820  -8.524  -2.777
  299    HB2  GLN  43           1HB      GLN  43 -14.465 -10.936  -1.045
  300    HB3  GLN  43           2HB      GLN  43 -15.888  -9.927  -0.826
  301    HG2  GLN  43           1HG      GLN  43 -16.533 -10.271  -3.127
  302    HG3  GLN  43           2HG      GLN  43 -15.062 -11.195  -3.427
  303   HE21  GLN  43          1HE2      GLN  43 -14.839 -12.918  -1.474
  304   HE22  GLN  43          2HE2      GLN  43 -16.221 -13.946  -1.341
  305    H    GLU  44           H        GLU  44 -12.500  -8.823  -0.197
  306    HA   GLU  44           HA       GLU  44 -13.762  -7.431   1.844
  307    HB2  GLU  44           1HB      GLU  44 -11.574  -8.609   2.028
  308    HB3  GLU  44           2HB      GLU  44 -10.827  -7.290   1.138
  309    HG2  GLU  44           1HG      GLU  44 -11.314  -5.741   2.892
  310    HG3  GLU  44           2HG      GLU  44 -12.277  -6.943   3.749
  311    H    HIS  45           H        HIS  45 -11.709  -6.143  -0.762
  312    HA   HIS  45           HA       HIS  45 -12.850  -3.481  -0.217
  313    HB2  HIS  45           1HB      HIS  45 -10.104  -4.240  -1.218
  314    HB3  HIS  45           2HB      HIS  45 -10.733  -2.597  -1.284
  315    HD2  HIS  45           2HD      HIS  45  -9.033  -4.981   1.191
  316    HE1  HIS  45           1HE      HIS  45 -10.201  -1.532   3.368
  317    HE2  HIS  45           2HE      HIS  45  -8.797  -3.623   3.380
  318    H    ARG  46           H        ARG  46 -13.495  -5.855  -2.111
  319    HA   ARG  46           HA       ARG  46 -13.068  -5.016  -4.755
  320    HB2  ARG  46           1HB      ARG  46 -13.843  -7.297  -3.966
  321    HB3  ARG  46           2HB      ARG  46 -15.447  -6.600  -3.789
  322    HG2  ARG  46           1HG      ARG  46 -15.581  -6.147  -6.134
  323    HG3  ARG  46           2HG      ARG  46 -13.898  -6.624  -6.367
  324    HD2  ARG  46           1HD      ARG  46 -15.947  -8.515  -5.254
  325    HD3  ARG  46           2HD      ARG  46 -15.711  -8.317  -6.989
  326    HE   ARG  46           HE       ARG  46 -13.925  -9.618  -5.119
  327   HH11  ARG  46          2HH1      ARG  46 -14.329  -8.225  -8.284
  328   HH12  ARG  46          1HH1      ARG  46 -12.991  -9.082  -8.975
  329   HH21  ARG  46          2HH2      ARG  46 -12.161 -10.752  -6.017
  330   HH22  ARG  46          1HH2      ARG  46 -11.759 -10.520  -7.685
  331    H    GLY  47           H        GLY  47 -13.947  -3.447  -5.940
  332    HA2  GLY  47           1HA      GLY  47 -15.508  -1.926  -6.715
  333    HA3  GLY  47           2HA      GLY  47 -16.662  -2.580  -5.562
  334    H    HIS  48           H        HIS  48 -13.631  -1.630  -4.281
  335    HA   HIS  48           HA       HIS  48 -14.921   0.645  -2.967
  336    HB2  HIS  48           1HB      HIS  48 -12.399  -0.896  -2.344
  337    HB3  HIS  48           2HB      HIS  48 -12.882   0.558  -1.476
  338    HD2  HIS  48           2HD      HIS  48 -15.867  -1.704  -2.224
  339    HE1  HIS  48           1HE      HIS  48 -14.646  -2.540   1.752
  340    HE2  HIS  48           2HE      HIS  48 -16.390  -2.950  -0.018
  341    H    HIS  49           H        HIS  49 -14.230   2.718  -3.172
  342    HA   HIS  49           HA       HIS  49 -12.691   3.401  -5.464
  343    HB2  HIS  49           1HB      HIS  49 -13.755   5.064  -3.178
  344    HB3  HIS  49           2HB      HIS  49 -12.921   5.748  -4.570
  345    HD1  HIS  49           1HD      HIS  49 -16.202   5.185  -3.394
  346    HD2  HIS  49           2HD      HIS  49 -14.356   4.796  -7.095
  347    HE1  HIS  49           1HE      HIS  49 -18.067   5.211  -5.081
  348    HE2  HIS  49           2HE      HIS  49 -16.932   4.888  -7.307
  349    H    THR  50           H        THR  50 -10.560   3.216  -5.584
  350    HA   THR  50           HA       THR  50  -8.957   3.849  -3.190
  351    HB   THR  50           HB       THR  50  -7.218   2.341  -4.075
  352    HG1  THR  50           1HG      THR  50  -8.308   2.566  -6.324
  353   HG21  THR  50          3HG2      THR  50  -9.806   1.554  -3.081
  354   HG22  THR  50          1HG2      THR  50  -8.217   0.886  -2.711
  355   HG23  THR  50          2HG2      THR  50  -9.123   0.289  -4.101
  356    H    PHE  51           H        PHE  51  -6.872   4.826  -3.564
  357    HA   PHE  51           HA       PHE  51  -6.410   6.012  -6.180
  358    HB2  PHE  51           1HB      PHE  51  -6.559   7.784  -3.740
  359    HB3  PHE  51           2HB      PHE  51  -6.379   8.277  -5.421
  360    HD1  PHE  51           1HD      PHE  51  -8.742   6.433  -3.206
  361    HD2  PHE  51           2HD      PHE  51  -8.238   8.989  -6.573
  362    HE1  PHE  51           1HE      PHE  51 -11.184   6.660  -3.396
  363    HE2  PHE  51           2HE      PHE  51 -10.680   9.220  -6.767
  364    HZ   PHE  51           HZ       PHE  51 -12.156   8.055  -5.177
  365    HA   PRO  52           HA       PRO  52  -2.223   5.262  -5.059
  366    HB2  PRO  52           1HB      PRO  52  -0.995   6.954  -6.792
  367    HB3  PRO  52           2HB      PRO  52  -1.748   5.438  -7.300
  368    HG2  PRO  52           1HG      PRO  52  -2.823   8.228  -7.444
  369    HG3  PRO  52           2HG      PRO  52  -2.898   6.936  -8.656
  370    HD2  PRO  52           1HD      PRO  52  -4.988   7.545  -7.045
  371    HD3  PRO  52           2HD      PRO  52  -4.674   5.895  -7.621
  372    H    THR  53           H        THR  53  -2.332   6.162  -2.926
  373    HA   THR  53           HA       THR  53  -2.015   8.955  -2.449
  374    HB   THR  53           HB       THR  53  -3.057   7.545  -0.763
  375    HG1  THR  53           1HG      THR  53  -1.394   8.118   1.001
  376   HG21  THR  53          3HG2      THR  53  -1.137   6.187   0.578
  377   HG22  THR  53          1HG2      THR  53  -0.567   5.999  -1.080
  378   HG23  THR  53          2HG2      THR  53  -2.188   5.462  -0.638
  379    H    SER  54           H        SER  54   0.174   6.254  -2.828
  380    HA   SER  54           HA       SER  54   2.443   8.089  -2.409
  381    HB2  SER  54           1HB      SER  54   3.773   6.028  -1.873
  382    HB3  SER  54           2HB      SER  54   2.491   6.374  -0.714
  383    HG   SER  54           HG       SER  54   2.803   4.119  -1.716
  384    H    GLY  55           H        GLY  55   1.113   5.479  -4.369
  385    HA2  GLY  55           1HA      GLY  55   2.991   4.782  -6.130
  386    HA3  GLY  55           2HA      GLY  55   1.369   5.191  -6.667
  387    HA   PRO  56           HA       PRO  56   4.778   8.312  -8.045
  388    HB2  PRO  56           1HB      PRO  56   5.689   7.155 -10.325
  389    HB3  PRO  56           2HB      PRO  56   6.448   6.900  -8.750
  390    HG2  PRO  56           1HG      PRO  56   4.523   5.149 -10.229
  391    HG3  PRO  56           2HG      PRO  56   5.988   4.698  -9.338
  392    HD2  PRO  56           1HD      PRO  56   3.506   4.424  -8.293
  393    HD3  PRO  56           2HD      PRO  56   4.926   4.793  -7.295
  394    H    SER  57           H        SER  57   4.540   9.737  -9.843
  395    HA   SER  57           HA       SER  57   1.877   9.705 -10.955
  396    HB2  SER  57           1HB      SER  57   2.578  11.912 -11.941
  397    HB3  SER  57           2HB      SER  57   2.708  11.827 -10.185
  398    HG   SER  57           HG       SER  57   4.900  11.628 -10.359
  399    H    SER  58           H        SER  58   5.185   9.750 -12.267
  400    HA   SER  58           HA       SER  58   4.128   9.014 -14.896
  401    HB2  SER  58           1HB      SER  58   6.318   9.593 -15.768
  402    HB3  SER  58           2HB      SER  58   5.750  10.899 -14.728
  403    HG   SER  58           HG       SER  58   7.284   8.882 -13.560
  404    H    GLY  59           H        GLY  59   3.973   6.923 -15.346
  405    HA2  GLY  59           1HA      GLY  59   6.116   5.131 -14.394
  406    HA3  GLY  59           2HA      GLY  59   4.425   4.674 -14.246
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  11.075 -23.181  -0.711
    2    HA2  GLY   1           1HA      GLY   1  13.072 -24.557  -1.156
    3    HA3  GLY   1           2HA      GLY   1  12.151 -25.930  -0.560
    4    H    SER   2           H        SER   2  10.012 -26.266  -1.799
    5    HA   SER   2           HA       SER   2  10.706 -26.318  -4.637
    6    HB2  SER   2           1HB      SER   2   8.819 -27.873  -2.905
    7    HB3  SER   2           2HB      SER   2   8.539 -27.806  -4.645
    8    HG   SER   2           HG       SER   2   9.856 -29.506  -4.435
    9    H    SER   3           H        SER   3   9.374 -25.518  -6.254
   10    HA   SER   3           HA       SER   3   7.862 -24.137  -7.250
   11    HB2  SER   3           1HB      SER   3   6.213 -25.495  -5.919
   12    HB3  SER   3           2HB      SER   3   6.298 -24.260  -4.663
   13    HG   SER   3           HG       SER   3   5.869 -23.111  -7.053
   14    H    GLY   4           H        GLY   4  10.101 -23.003  -6.063
   15    HA2  GLY   4           1HA      GLY   4   9.380 -20.750  -4.440
   16    HA3  GLY   4           2HA      GLY   4  10.946 -21.043  -5.180
   17    H    SER   5           H        SER   5  11.368 -19.114  -6.107
   18    HA   SER   5           HA       SER   5  10.017 -18.438  -8.519
   19    HB2  SER   5           1HB      SER   5   9.164 -16.241  -7.877
   20    HB3  SER   5           2HB      SER   5   8.406 -17.493  -6.893
   21    HG   SER   5           HG       SER   5  10.736 -16.291  -5.929
   22    H    SER   6           H        SER   6  11.045 -16.689  -9.661
   23    HA   SER   6           HA       SER   6  13.552 -15.707  -8.517
   24    HB2  SER   6           1HB      SER   6  13.969 -17.842  -9.833
   25    HB3  SER   6           2HB      SER   6  13.477 -16.949 -11.271
   26    HG   SER   6           HG       SER   6  15.246 -15.717 -11.138
   27    H    GLY   7           H        GLY   7  13.776 -13.602  -8.889
   28    HA2  GLY   7           1HA      GLY   7  13.633 -12.177 -11.172
   29    HA3  GLY   7           2HA      GLY   7  11.945 -12.268 -10.692
   30    H    SER   8           H        SER   8  14.788 -11.980  -8.605
   31    HA   SER   8           HA       SER   8  15.403 -10.410  -7.078
   32    HB2  SER   8           1HB      SER   8  14.030  -8.696  -9.134
   33    HB3  SER   8           2HB      SER   8  14.661  -7.991  -7.646
   34    HG   SER   8           HG       SER   8  15.990  -8.838  -9.866
   35    HA   PRO   9           HA       PRO   9  10.944 -10.583  -5.443
   36    HB2  PRO   9           1HB      PRO   9  11.222 -12.779  -3.870
   37    HB3  PRO   9           2HB      PRO   9  10.698 -12.865  -5.556
   38    HG2  PRO   9           1HG      PRO   9  13.412 -13.348  -4.389
   39    HG3  PRO   9           2HG      PRO   9  12.550 -14.269  -5.635
   40    HD2  PRO   9           1HD      PRO   9  14.492 -12.478  -6.229
   41    HD3  PRO   9           2HD      PRO   9  13.110 -12.779  -7.302
   42    H    GLU  10           H        GLU  10  14.038 -10.032  -4.469
   43    HA   GLU  10           HA       GLU  10  13.249  -9.511  -1.679
   44    HB2  GLU  10           1HB      GLU  10  16.025  -9.891  -2.816
   45    HB3  GLU  10           2HB      GLU  10  15.643  -9.577  -1.129
   46    HG2  GLU  10           1HG      GLU  10  14.708 -11.686  -0.820
   47    HG3  GLU  10           2HG      GLU  10  14.516 -11.957  -2.551
   48    H    GLY  11           H        GLY  11  13.007  -7.456  -1.110
   49    HA2  GLY  11           1HA      GLY  11  14.685  -5.400  -2.327
   50    HA3  GLY  11           2HA      GLY  11  12.951  -5.246  -2.568
   51    H    GLN  12           H        GLN  12  12.558  -3.438  -1.389
   52    HA   GLN  12           HA       GLN  12  13.296  -3.521   1.462
   53    HB2  GLN  12           1HB      GLN  12  12.758  -1.131  -0.309
   54    HB3  GLN  12           2HB      GLN  12  13.080  -1.049   1.418
   55    HG2  GLN  12           1HG      GLN  12  14.969  -2.067  -0.692
   56    HG3  GLN  12           2HG      GLN  12  15.062  -0.510   0.128
   57   HE21  GLN  12          1HE2      GLN  12  17.239  -2.016   0.226
   58   HE22  GLN  12          2HE2      GLN  12  17.451  -2.726   1.786
   59    H    LYS  13           H        LYS  13  11.651  -4.042   2.728
   60    HA   LYS  13           HA       LYS  13   8.958  -4.077   1.931
   61    HB2  LYS  13           1HB      LYS  13  10.006  -3.981   4.764
   62    HB3  LYS  13           2HB      LYS  13   8.445  -4.596   4.238
   63    HG2  LYS  13           1HG      LYS  13   9.357  -6.519   3.336
   64    HG3  LYS  13           2HG      LYS  13  10.965  -5.807   3.186
   65    HD2  LYS  13           1HD      LYS  13   9.672  -6.298   5.856
   66    HD3  LYS  13           2HD      LYS  13  10.626  -7.533   5.032
   67    HE2  LYS  13           1HE      LYS  13  11.638  -4.768   5.677
   68    HE3  LYS  13           2HE      LYS  13  11.893  -6.175   6.709
   69    HZ1  LYS  13           3HZ      LYS  13  13.238  -5.417   4.292
   70    HZ2  LYS  13           1HZ      LYS  13  12.709  -7.024   4.264
   71    HZ3  LYS  13           2HZ      LYS  13  13.724  -6.490   5.507
   72    H    VAL  14           H        VAL  14   8.022  -2.221   1.279
   73    HA   VAL  14           HA       VAL  14   8.031   0.034   3.179
   74    HB   VAL  14           HB       VAL  14   9.237   0.755   1.250
   75   HG11  VAL  14          1HG1      VAL  14   8.547   0.486  -0.989
   76   HG12  VAL  14          2HG1      VAL  14   8.287  -1.081  -0.222
   77   HG13  VAL  14          3HG1      VAL  14   6.922  -0.003  -0.512
   78   HG21  VAL  14          3HG2      VAL  14   6.414   1.788   1.003
   79   HG22  VAL  14          1HG2      VAL  14   7.592   2.334   2.197
   80   HG23  VAL  14          2HG2      VAL  14   7.885   2.607   0.479
   81    H    ASP  15           H        ASP  15   6.128  -0.213   4.214
   82    HA   ASP  15           HA       ASP  15   3.886  -0.345   4.592
   83    HB2  ASP  15           1HB      ASP  15   4.077   1.208   2.039
   84    HB3  ASP  15           2HB      ASP  15   2.492   0.743   2.649
   85    H    HIS  16           H        HIS  16   4.878  -2.725   3.788
   86    HA   HIS  16           HA       HIS  16   3.290  -3.775   1.603
   87    HB2  HIS  16           1HB      HIS  16   5.362  -4.949   3.441
   88    HB3  HIS  16           2HB      HIS  16   4.393  -5.973   2.387
   89    HD1  HIS  16           1HD      HIS  16   5.961  -6.652   0.588
   90    HD2  HIS  16           2HD      HIS  16   6.199  -2.587   1.411
   91    HE1  HIS  16           1HE      HIS  16   7.530  -5.708  -1.136
   92    HE2  HIS  16           2HE      HIS  16   7.725  -3.263  -0.565
   93    H    CYS  17           H        CYS  17   1.470  -4.960   1.766
   94    HA   CYS  17           HA       CYS  17  -0.123  -4.833   4.054
   95    HB2  CYS  17           1HB      CYS  17  -0.893  -5.225   1.680
   96    HB3  CYS  17           2HB      CYS  17  -0.382  -6.900   1.866
   97    H    ALA  18           H        ALA  18  -0.006  -5.887   5.913
   98    HA   ALA  18           HA       ALA  18   1.826  -7.982   6.394
   99    HB1  ALA  18           3HB      ALA  18  -0.424  -7.689   8.275
  100    HB2  ALA  18           1HB      ALA  18   1.315  -7.699   8.572
  101    HB3  ALA  18           2HB      ALA  18   0.529  -6.235   7.980
  102    H    ARG  19           H        ARG  19  -1.166  -8.027   4.895
  103    HA   ARG  19           HA       ARG  19  -1.859 -10.724   5.762
  104    HB2  ARG  19           1HB      ARG  19  -3.720  -9.232   5.579
  105    HB3  ARG  19           2HB      ARG  19  -3.238  -8.732   3.964
  106    HG2  ARG  19           1HG      ARG  19  -3.807 -10.876   3.062
  107    HG3  ARG  19           2HG      ARG  19  -4.113 -11.521   4.676
  108    HD2  ARG  19           1HD      ARG  19  -5.866  -9.655   4.869
  109    HD3  ARG  19           2HD      ARG  19  -5.707  -9.511   3.119
  110    HE   ARG  19           HE       ARG  19  -6.884 -11.461   2.886
  111   HH11  ARG  19          2HH1      ARG  19  -5.808 -11.162   6.184
  112   HH12  ARG  19          1HH1      ARG  19  -6.725 -12.521   6.744
  113   HH21  ARG  19          2HH2      ARG  19  -8.096 -13.251   3.611
  114   HH22  ARG  19          1HH2      ARG  19  -8.026 -13.709   5.279
  115    H    HIS  20           H        HIS  20  -1.273  -9.029   2.679
  116    HA   HIS  20           HA       HIS  20  -0.694 -11.610   1.419
  117    HB2  HIS  20           1HB      HIS  20  -1.018  -8.901   0.115
  118    HB3  HIS  20           2HB      HIS  20  -0.925 -10.458  -0.704
  119    HD2  HIS  20           2HD      HIS  20  -3.292 -11.928  -0.744
  120    HE1  HIS  20           1HE      HIS  20  -5.666  -8.988   1.185
  121    HE2  HIS  20           2HE      HIS  20  -5.663 -11.213   0.004
  122    H    GLY  21           H        GLY  21   0.727  -8.427   2.013
  123    HA2  GLY  21           1HA      GLY  21   3.050  -8.176   2.509
  124    HA3  GLY  21           2HA      GLY  21   3.374  -9.622   1.565
  125    H    GLU  22           H        GLU  22   1.165  -7.641  -0.006
  126    HA   GLU  22           HA       GLU  22   3.146  -6.909  -1.983
  127    HB2  GLU  22           1HB      GLU  22   0.179  -6.941  -1.834
  128    HB3  GLU  22           2HB      GLU  22   0.911  -5.789  -2.941
  129    HG2  GLU  22           1HG      GLU  22   0.265  -8.073  -3.860
  130    HG3  GLU  22           2HG      GLU  22   1.873  -7.460  -4.243
  131    H    LYS  23           H        LYS  23   3.573  -4.790  -2.696
  132    HA   LYS  23           HA       LYS  23   3.866  -2.871  -0.664
  133    HB2  LYS  23           1HB      LYS  23   3.883  -2.292  -3.625
  134    HB3  LYS  23           2HB      LYS  23   4.729  -1.418  -2.354
  135    HG2  LYS  23           1HG      LYS  23   6.254  -3.210  -2.023
  136    HG3  LYS  23           2HG      LYS  23   5.309  -4.284  -3.057
  137    HD2  LYS  23           1HD      LYS  23   7.001  -3.636  -4.485
  138    HD3  LYS  23           2HD      LYS  23   5.744  -2.458  -4.871
  139    HE2  LYS  23           1HE      LYS  23   6.801  -0.785  -3.541
  140    HE3  LYS  23           2HE      LYS  23   7.933  -1.955  -2.863
  141    HZ1  LYS  23           3HZ      LYS  23   7.859  -1.460  -5.768
  142    HZ2  LYS  23           1HZ      LYS  23   9.127  -2.061  -4.822
  143    HZ3  LYS  23           2HZ      LYS  23   8.719  -0.422  -4.746
  144    H    LEU  24           H        LEU  24   2.464  -1.481   0.175
  145    HA   LEU  24           HA       LEU  24  -0.162  -1.186  -0.994
  146    HB2  LEU  24           1HB      LEU  24   1.059  -0.009   1.497
  147    HB3  LEU  24           2HB      LEU  24  -0.627   0.177   1.019
  148    HG   LEU  24           HG       LEU  24   0.608  -2.519   1.519
  149   HD11  LEU  24          1HD1      LEU  24   0.937  -1.454   3.581
  150   HD12  LEU  24          2HD1      LEU  24  -0.588  -2.321   3.758
  151   HD13  LEU  24          3HD1      LEU  24  -0.592  -0.581   3.473
  152   HD21  LEU  24          3HD2      LEU  24  -1.682  -1.976   0.300
  153   HD22  LEU  24          1HD2      LEU  24  -2.249  -1.847   1.965
  154   HD23  LEU  24          2HD2      LEU  24  -1.512  -3.346   1.399
  155    H    LEU  25           H        LEU  25  -0.213   0.107  -2.743
  156    HA   LEU  25           HA       LEU  25   0.981   2.789  -2.487
  157    HB2  LEU  25           1HB      LEU  25   0.409   1.284  -5.034
  158    HB3  LEU  25           2HB      LEU  25   1.221   2.841  -4.887
  159    HG   LEU  25           HG       LEU  25   2.318   0.248  -3.806
  160   HD11  LEU  25          1HD1      LEU  25   2.255   0.028  -6.173
  161   HD12  LEU  25          2HD1      LEU  25   3.909   0.448  -5.730
  162   HD13  LEU  25          3HD1      LEU  25   2.839   1.677  -6.405
  163   HD21  LEU  25          3HD2      LEU  25   2.959   2.846  -3.160
  164   HD22  LEU  25          1HD2      LEU  25   4.145   2.434  -4.400
  165   HD23  LEU  25          2HD2      LEU  25   4.002   1.438  -2.951
  166    H    LEU  26           H        LEU  26  -1.868   1.215  -2.336
  167    HA   LEU  26           HA       LEU  26  -3.373   3.407  -3.599
  168    HB2  LEU  26           1HB      LEU  26  -4.379   0.667  -2.854
  169    HB3  LEU  26           2HB      LEU  26  -5.251   1.905  -3.754
  170    HG   LEU  26           HG       LEU  26  -2.724   0.645  -4.791
  171   HD11  LEU  26          1HD1      LEU  26  -5.063  -0.335  -6.101
  172   HD12  LEU  26          2HD1      LEU  26  -5.183  -0.666  -4.373
  173   HD13  LEU  26          3HD1      LEU  26  -3.784  -1.236  -5.285
  174   HD21  LEU  26          3HD2      LEU  26  -3.874   1.332  -6.968
  175   HD22  LEU  26          1HD2      LEU  26  -3.194   2.614  -5.966
  176   HD23  LEU  26          2HD2      LEU  26  -4.932   2.315  -5.954
  177    H    PHE  27           H        PHE  27  -5.428   3.988  -2.498
  178    HA   PHE  27           HA       PHE  27  -5.356   3.581   0.404
  179    HB2  PHE  27           1HB      PHE  27  -4.218   5.743  -0.183
  180    HB3  PHE  27           2HB      PHE  27  -5.744   6.298  -0.862
  181    HD1  PHE  27           1HD      PHE  27  -7.722   6.568   0.635
  182    HD2  PHE  27           2HD      PHE  27  -3.809   5.815   2.133
  183    HE1  PHE  27           1HE      PHE  27  -8.423   7.361   2.856
  184    HE2  PHE  27           2HE      PHE  27  -4.505   6.605   4.357
  185    HZ   PHE  27           HZ       PHE  27  -6.815   7.379   4.721
  186    H    CYS  28           H        CYS  28  -7.221   2.568   0.772
  187    HA   CYS  28           HA       CYS  28  -9.545   2.886  -0.831
  188    HB2  CYS  28           1HB      CYS  28  -8.769   0.914   0.741
  189    HB3  CYS  28           2HB      CYS  28  -9.697   1.795   1.950
  190    H    GLN  29           H        GLN  29 -11.171   4.294  -0.686
  191    HA   GLN  29           HA       GLN  29 -11.055   6.360   1.339
  192    HB2  GLN  29           1HB      GLN  29 -12.601   5.956  -1.194
  193    HB3  GLN  29           2HB      GLN  29 -13.152   7.145  -0.021
  194    HG2  GLN  29           1HG      GLN  29 -10.312   7.187  -0.918
  195    HG3  GLN  29           2HG      GLN  29 -11.568   7.834  -1.972
  196   HE21  GLN  29          1HE2      GLN  29 -10.724   9.917  -1.787
  197   HE22  GLN  29          2HE2      GLN  29 -10.929  10.861  -0.354
  198    H    GLU  30           H        GLU  30 -13.267   3.789   0.331
  199    HA   GLU  30           HA       GLU  30 -15.397   4.360   2.030
  200    HB2  GLU  30           1HB      GLU  30 -14.385   1.700   1.016
  201    HB3  GLU  30           2HB      GLU  30 -15.917   1.911   1.851
  202    HG2  GLU  30           1HG      GLU  30 -16.281   3.726  -0.035
  203    HG3  GLU  30           2HG      GLU  30 -15.122   2.710  -0.890
  204    H    ASP  31           H        ASP  31 -12.453   2.497   2.620
  205    HA   ASP  31           HA       ASP  31 -13.241   2.158   5.426
  206    HB2  ASP  31           1HB      ASP  31 -11.080   0.832   3.780
  207    HB3  ASP  31           2HB      ASP  31 -11.293   0.574   5.509
  208    H    GLY  32           H        GLY  32 -11.117   3.913   3.373
  209    HA2  GLY  32           1HA      GLY  32  -9.668   5.637   3.846
  210    HA3  GLY  32           2HA      GLY  32 -10.226   5.567   5.511
  211    H    LYS  33           H        LYS  33  -8.843   2.812   3.859
  212    HA   LYS  33           HA       LYS  33  -6.341   3.165   5.361
  213    HB2  LYS  33           1HB      LYS  33  -6.396   0.666   5.784
  214    HB3  LYS  33           2HB      LYS  33  -7.536   1.630   6.712
  215    HG2  LYS  33           1HG      LYS  33  -8.952  -0.003   6.066
  216    HG3  LYS  33           2HG      LYS  33  -9.101   1.026   4.639
  217    HD2  LYS  33           1HD      LYS  33  -8.697  -1.004   3.649
  218    HD3  LYS  33           2HD      LYS  33  -7.049  -0.391   3.804
  219    HE2  LYS  33           1HE      LYS  33  -8.075  -1.892   6.122
  220    HE3  LYS  33           2HE      LYS  33  -7.853  -2.832   4.648
  221    HZ1  LYS  33           3HZ      LYS  33  -5.893  -2.668   6.224
  222    HZ2  LYS  33           1HZ      LYS  33  -5.727  -1.068   5.700
  223    HZ3  LYS  33           2HZ      LYS  33  -5.585  -2.339   4.594
  224    H    VAL  34           H        VAL  34  -4.500   2.239   4.428
  225    HA   VAL  34           HA       VAL  34  -4.505   2.122   1.590
  226    HB   VAL  34           HB       VAL  34  -2.104   1.212   2.004
  227   HG11  VAL  34          1HG1      VAL  34  -1.331   3.519   2.577
  228   HG12  VAL  34          2HG1      VAL  34  -2.486   3.446   1.245
  229   HG13  VAL  34          3HG1      VAL  34  -3.018   3.956   2.847
  230   HG21  VAL  34          3HG2      VAL  34  -2.649   2.315   4.750
  231   HG22  VAL  34          1HG2      VAL  34  -2.670   0.589   4.386
  232   HG23  VAL  34          2HG2      VAL  34  -1.188   1.519   4.167
  233    H    ILE  35           H        ILE  35  -4.525   0.429   0.215
  234    HA   ILE  35           HA       ILE  35  -4.391  -2.286   1.327
  235    HB   ILE  35           HB       ILE  35  -6.278  -3.028   0.021
  236   HG12  ILE  35          1HG1      ILE  35  -6.762  -0.164  -0.799
  237   HG13  ILE  35          2HG1      ILE  35  -5.887  -1.305  -1.814
  238   HG21  ILE  35          1HG2      ILE  35  -8.072  -1.924   1.205
  239   HG22  ILE  35          2HG2      ILE  35  -6.684  -2.113   2.275
  240   HG23  ILE  35          3HG2      ILE  35  -7.033  -0.543   1.551
  241   HD11  ILE  35          3HD1      ILE  35  -8.688  -1.756  -0.824
  242   HD12  ILE  35          1HD1      ILE  35  -8.293  -1.027  -2.381
  243   HD13  ILE  35          2HD1      ILE  35  -7.810  -2.689  -2.036
  244    H    CYS  36           H        CYS  36  -3.883  -3.937  -0.238
  245    HA   CYS  36           HA       CYS  36  -2.231  -2.883  -2.417
  246    HB2  CYS  36           1HB      CYS  36  -1.220  -5.158  -2.436
  247    HB3  CYS  36           2HB      CYS  36  -1.057  -4.340  -0.886
  248    H    TRP  37           H        TRP  37  -2.084  -4.507  -4.338
  249    HA   TRP  37           HA       TRP  37  -4.393  -4.401  -5.808
  250    HB2  TRP  37           1HB      TRP  37  -2.655  -6.761  -6.297
  251    HB3  TRP  37           2HB      TRP  37  -3.263  -5.555  -7.428
  252    HD1  TRP  37           HD       TRP  37  -0.106  -6.673  -6.295
  253    HE1  TRP  37           1HE      TRP  37   1.682  -4.821  -6.308
  254    HE3  TRP  37           3HE      TRP  37  -3.167  -2.590  -6.611
  255    HZ2  TRP  37           2HZ      TRP  37   1.782  -2.003  -6.435
  256    HZ3  TRP  37           3HZ      TRP  37  -2.146  -0.353  -6.672
  257    HH2  TRP  37           HH       TRP  37   0.278  -0.067  -6.585
  258    H    LEU  38           H        LEU  38  -3.140  -7.429  -4.389
  259    HA   LEU  38           HA       LEU  38  -5.272  -9.066  -4.834
  260    HB2  LEU  38           1HB      LEU  38  -3.789  -9.051  -2.218
  261    HB3  LEU  38           2HB      LEU  38  -4.526 -10.426  -3.038
  262    HG   LEU  38           HG       LEU  38  -1.956  -9.015  -3.665
  263   HD11  LEU  38          1HD1      LEU  38  -2.197 -11.043  -2.111
  264   HD12  LEU  38          2HD1      LEU  38  -0.975 -11.107  -3.380
  265   HD13  LEU  38          3HD1      LEU  38  -2.505 -11.960  -3.586
  266   HD21  LEU  38          3HD2      LEU  38  -3.215 -11.018  -5.511
  267   HD22  LEU  38          1HD2      LEU  38  -1.835  -9.958  -5.800
  268   HD23  LEU  38          2HD2      LEU  38  -3.462  -9.283  -5.717
  269    H    CYS  39           H        CYS  39  -4.915  -6.712  -2.224
  270    HA   CYS  39           HA       CYS  39  -7.267  -7.414  -0.821
  271    HB2  CYS  39           1HB      CYS  39  -5.410  -5.084  -0.845
  272    HB3  CYS  39           2HB      CYS  39  -6.993  -4.859  -0.107
  273    H    GLU  40           H        GLU  40  -6.618  -4.798  -3.151
  274    HA   GLU  40           HA       GLU  40  -9.169  -3.698  -3.224
  275    HB2  GLU  40           1HB      GLU  40  -7.370  -2.530  -4.270
  276    HB3  GLU  40           2HB      GLU  40  -7.032  -3.880  -5.345
  277    HG2  GLU  40           1HG      GLU  40  -8.882  -3.448  -6.678
  278    HG3  GLU  40           2HG      GLU  40  -9.672  -2.479  -5.435
  279    H    ARG  41           H        ARG  41  -7.809  -6.365  -5.118
  280    HA   ARG  41           HA       ARG  41 -10.209  -6.765  -6.636
  281    HB2  ARG  41           1HB      ARG  41  -9.079  -8.529  -7.696
  282    HB3  ARG  41           2HB      ARG  41  -7.815  -7.364  -7.328
  283    HG2  ARG  41           1HG      ARG  41  -7.161  -8.670  -5.379
  284    HG3  ARG  41           2HG      ARG  41  -8.446  -9.830  -5.720
  285    HD2  ARG  41           1HD      ARG  41  -7.294  -9.994  -8.052
  286    HD3  ARG  41           2HD      ARG  41  -5.902  -9.322  -7.203
  287    HE   ARG  41           HE       ARG  41  -6.807 -11.451  -5.683
  288   HH11  ARG  41          2HH1      ARG  41  -5.524 -10.933  -8.878
  289   HH12  ARG  41          1HH1      ARG  41  -4.801 -12.503  -8.984
  290   HH21  ARG  41          2HH2      ARG  41  -5.859 -13.521  -5.811
  291   HH22  ARG  41          1HH2      ARG  41  -4.993 -13.976  -7.239
  292    H    SER  42           H        SER  42  -9.298  -7.518  -3.496
  293    HA   SER  42           HA       SER  42 -10.659 -10.032  -3.248
  294    HB2  SER  42           1HB      SER  42  -8.740  -9.164  -1.779
  295    HB3  SER  42           2HB      SER  42  -9.962  -8.187  -0.966
  296    HG   SER  42           HG       SER  42 -10.998 -10.037  -0.319
  297    H    GLN  43           H        GLN  43 -12.711 -10.434  -2.621
  298    HA   GLN  43           HA       GLN  43 -14.747  -8.639  -3.043
  299    HB2  GLN  43           1HB      GLN  43 -15.059 -11.077  -2.859
  300    HB3  GLN  43           2HB      GLN  43 -14.785 -10.975  -1.125
  301    HG2  GLN  43           1HG      GLN  43 -16.766  -9.384  -1.065
  302    HG3  GLN  43           2HG      GLN  43 -17.103  -9.925  -2.709
  303   HE21  GLN  43          1HE2      GLN  43 -16.886 -10.895   0.639
  304   HE22  GLN  43          2HE2      GLN  43 -17.818 -12.341   0.484
  305    H    GLU  44           H        GLU  44 -12.631  -8.805  -0.371
  306    HA   GLU  44           HA       GLU  44 -14.313  -7.642   1.603
  307    HB2  GLU  44           1HB      GLU  44 -11.295  -7.611   1.418
  308    HB3  GLU  44           2HB      GLU  44 -12.246  -7.252   2.853
  309    HG2  GLU  44           1HG      GLU  44 -12.629  -9.882   1.526
  310    HG3  GLU  44           2HG      GLU  44 -11.163  -9.616   2.469
  311    H    HIS  45           H        HIS  45 -11.950  -6.320  -0.680
  312    HA   HIS  45           HA       HIS  45 -12.964  -3.625  -0.046
  313    HB2  HIS  45           1HB      HIS  45 -10.211  -4.536  -0.874
  314    HB3  HIS  45           2HB      HIS  45 -10.718  -2.853  -0.991
  315    HD2  HIS  45           2HD      HIS  45  -9.167  -5.200   1.536
  316    HE1  HIS  45           1HE      HIS  45 -10.656  -1.898   3.746
  317    HE2  HIS  45           2HE      HIS  45  -9.141  -3.910   3.778
  318    H    ARG  46           H        ARG  46 -13.732  -5.789  -2.081
  319    HA   ARG  46           HA       ARG  46 -13.069  -4.809  -4.653
  320    HB2  ARG  46           1HB      ARG  46 -14.633  -6.365  -5.496
  321    HB3  ARG  46           2HB      ARG  46 -13.963  -7.115  -4.054
  322    HG2  ARG  46           1HG      ARG  46 -15.912  -6.791  -2.827
  323    HG3  ARG  46           2HG      ARG  46 -16.511  -5.552  -3.932
  324    HD2  ARG  46           1HD      ARG  46 -16.870  -7.223  -5.653
  325    HD3  ARG  46           2HD      ARG  46 -16.188  -8.472  -4.611
  326    HE   ARG  46           HE       ARG  46 -18.148  -8.479  -3.362
  327   HH11  ARG  46          2HH1      ARG  46 -18.219  -5.990  -5.795
  328   HH12  ARG  46          1HH1      ARG  46 -19.921  -5.706  -5.641
  329   HH21  ARG  46          2HH2      ARG  46 -20.390  -8.114  -3.149
  330   HH22  ARG  46          1HH2      ARG  46 -21.155  -6.914  -4.135
  331    H    GLY  47           H        GLY  47 -14.125  -3.427  -6.025
  332    HA2  GLY  47           1HA      GLY  47 -15.734  -1.917  -6.749
  333    HA3  GLY  47           2HA      GLY  47 -16.700  -2.314  -5.335
  334    H    HIS  48           H        HIS  48 -14.336  -1.784  -3.571
  335    HA   HIS  48           HA       HIS  48 -14.930   0.892  -2.935
  336    HB2  HIS  48           1HB      HIS  48 -12.471  -0.669  -2.120
  337    HB3  HIS  48           2HB      HIS  48 -13.154   0.730  -1.296
  338    HD2  HIS  48           2HD      HIS  48 -16.073  -1.435  -2.114
  339    HE1  HIS  48           1HE      HIS  48 -14.710  -2.803   1.663
  340    HE2  HIS  48           2HE      HIS  48 -16.546  -2.929  -0.057
  341    H    HIS  49           H        HIS  49 -13.963   2.798  -3.419
  342    HA   HIS  49           HA       HIS  49 -12.136   2.807  -5.671
  343    HB2  HIS  49           1HB      HIS  49 -13.657   4.959  -4.212
  344    HB3  HIS  49           2HB      HIS  49 -12.439   5.345  -5.423
  345    HD1  HIS  49           1HD      HIS  49 -15.934   4.253  -5.034
  346    HD2  HIS  49           2HD      HIS  49 -13.118   4.496  -8.080
  347    HE1  HIS  49           1HE      HIS  49 -17.235   4.012  -7.173
  348    HE2  HIS  49           2HE      HIS  49 -15.500   4.076  -8.998
  349    H    THR  50           H        THR  50 -10.009   3.134  -5.564
  350    HA   THR  50           HA       THR  50  -8.879   4.173  -3.048
  351    HB   THR  50           HB       THR  50  -7.015   2.666  -3.212
  352    HG1  THR  50           1HG      THR  50  -7.783   2.486  -5.780
  353   HG21  THR  50          3HG2      THR  50  -8.986   0.604  -3.773
  354   HG22  THR  50          1HG2      THR  50  -9.609   1.848  -2.690
  355   HG23  THR  50          2HG2      THR  50  -8.136   0.972  -2.273
  356    H    PHE  51           H        PHE  51  -6.808   5.236  -3.250
  357    HA   PHE  51           HA       PHE  51  -6.303   6.294  -5.953
  358    HB2  PHE  51           1HB      PHE  51  -6.294   7.773  -3.318
  359    HB3  PHE  51           2HB      PHE  51  -5.621   8.435  -4.804
  360    HD1  PHE  51           1HD      PHE  51  -8.739   7.213  -3.237
  361    HD2  PHE  51           2HD      PHE  51  -6.995   9.450  -6.410
  362    HE1  PHE  51           1HE      PHE  51 -10.966   8.050  -3.865
  363    HE2  PHE  51           2HE      PHE  51  -9.219  10.292  -7.042
  364    HZ   PHE  51           HZ       PHE  51 -11.208   9.593  -5.769
  365    HA   PRO  52           HA       PRO  52  -2.136   4.998  -5.422
  366    HB2  PRO  52           1HB      PRO  52  -0.899   6.732  -7.106
  367    HB3  PRO  52           2HB      PRO  52  -1.883   5.378  -7.674
  368    HG2  PRO  52           1HG      PRO  52  -2.614   8.268  -7.402
  369    HG3  PRO  52           2HG      PRO  52  -2.976   7.141  -8.724
  370    HD2  PRO  52           1HD      PRO  52  -4.792   7.788  -6.822
  371    HD3  PRO  52           2HD      PRO  52  -4.748   6.191  -7.597
  372    H    THR  53           H        THR  53  -1.851   5.622  -3.226
  373    HA   THR  53           HA       THR  53  -1.485   8.048  -2.093
  374    HB   THR  53           HB       THR  53  -0.337   7.042  -0.353
  375    HG1  THR  53           1HG      THR  53   0.734   5.053  -2.079
  376   HG21  THR  53          3HG2      THR  53  -1.341   4.528  -1.651
  377   HG22  THR  53          1HG2      THR  53  -2.456   5.778  -1.100
  378   HG23  THR  53          2HG2      THR  53  -1.378   4.987   0.051
  379    H    SER  54           H        SER  54   1.181   6.171  -3.548
  380    HA   SER  54           HA       SER  54   2.619   8.715  -3.940
  381    HB2  SER  54           1HB      SER  54   3.541   6.813  -2.356
  382    HB3  SER  54           2HB      SER  54   4.066   6.096  -3.878
  383    HG   SER  54           HG       SER  54   4.674   8.736  -3.028
  384    H    GLY  55           H        GLY  55   1.214   6.002  -5.437
  385    HA2  GLY  55           1HA      GLY  55   2.570   5.345  -7.646
  386    HA3  GLY  55           2HA      GLY  55   0.848   5.690  -7.713
  387    HA   PRO  56           HA       PRO  56   3.579   8.844 -10.090
  388    HB2  PRO  56           1HB      PRO  56   3.533   7.748 -12.573
  389    HB3  PRO  56           2HB      PRO  56   4.811   7.414 -11.399
  390    HG2  PRO  56           1HG      PRO  56   2.407   5.774 -12.101
  391    HG3  PRO  56           2HG      PRO  56   4.079   5.249 -11.829
  392    HD2  PRO  56           1HD      PRO  56   2.150   5.005  -9.943
  393    HD3  PRO  56           2HD      PRO  56   3.854   5.296  -9.535
  394    H    SER  57           H        SER  57   0.560   7.819  -9.759
  395    HA   SER  57           HA       SER  57  -1.479   8.658 -10.325
  396    HB2  SER  57           1HB      SER  57   0.072  10.784 -11.823
  397    HB3  SER  57           2HB      SER  57  -1.621  10.868 -11.337
  398    HG   SER  57           HG       SER  57  -0.839  11.755  -9.600
  399    H    SER  58           H        SER  58  -0.478   6.566 -11.828
  400    HA   SER  58           HA       SER  58  -0.854   5.395 -13.742
  401    HB2  SER  58           1HB      SER  58  -2.912   7.580 -14.083
  402    HB3  SER  58           2HB      SER  58  -2.757   6.227 -15.204
  403    HG   SER  58           HG       SER  58  -4.311   5.847 -13.548
  404    H    GLY  59           H        GLY  59   1.307   7.194 -13.743
  405    HA2  GLY  59           1HA      GLY  59   1.300   8.623 -16.262
  406    HA3  GLY  59           2HA      GLY  59   2.641   8.498 -15.133
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  27.546  10.854   3.355
    2    HA2  GLY   1           1HA      GLY   1  28.226  11.528   0.595
    3    HA3  GLY   1           2HA      GLY   1  29.047  12.433   1.858
    4    H    SER   2           H        SER   2  28.142   9.014   1.886
    5    HA   SER   2           HA       SER   2  30.942   8.348   2.403
    6    HB2  SER   2           1HB      SER   2  28.341   6.899   2.843
    7    HB3  SER   2           2HB      SER   2  29.878   6.036   2.890
    8    HG   SER   2           HG       SER   2  30.540   7.417   4.559
    9    H    SER   3           H        SER   3  31.866   6.420   1.379
   10    HA   SER   3           HA       SER   3  31.854   6.560  -1.390
   11    HB2  SER   3           1HB      SER   3  32.812   4.515   0.575
   12    HB3  SER   3           2HB      SER   3  32.825   4.121  -1.143
   13    HG   SER   3           HG       SER   3  34.590   5.235  -1.250
   14    H    GLY   4           H        GLY   4  30.848   5.450  -3.024
   15    HA2  GLY   4           1HA      GLY   4  29.537   3.549  -3.784
   16    HA3  GLY   4           2HA      GLY   4  28.718   3.568  -2.229
   17    H    SER   5           H        SER   5  27.010   3.468  -4.148
   18    HA   SER   5           HA       SER   5  26.109   6.240  -4.588
   19    HB2  SER   5           1HB      SER   5  26.841   4.915  -6.656
   20    HB3  SER   5           2HB      SER   5  25.401   3.931  -6.395
   21    HG   SER   5           HG       SER   5  24.135   5.625  -6.860
   22    H    SER   6           H        SER   6  23.701   6.383  -4.934
   23    HA   SER   6           HA       SER   6  22.363   4.654  -2.968
   24    HB2  SER   6           1HB      SER   6  21.492   7.374  -3.972
   25    HB3  SER   6           2HB      SER   6  20.771   6.460  -2.647
   26    HG   SER   6           HG       SER   6  22.987   6.585  -1.708
   27    H    GLY   7           H        GLY   7  21.211   3.070  -3.845
   28    HA2  GLY   7           1HA      GLY   7  18.984   3.343  -5.403
   29    HA3  GLY   7           2HA      GLY   7  20.292   3.174  -6.565
   30    H    SER   8           H        SER   8  18.368   1.584  -4.152
   31    HA   SER   8           HA       SER   8  19.785  -0.941  -4.547
   32    HB2  SER   8           1HB      SER   8  17.453  -0.328  -2.716
   33    HB3  SER   8           2HB      SER   8  18.438  -1.791  -2.707
   34    HG   SER   8           HG       SER   8  19.828   0.588  -2.468
   35    HA   PRO   9           HA       PRO   9  16.711  -1.778  -7.730
   36    HB2  PRO   9           1HB      PRO   9  17.987  -3.971  -8.696
   37    HB3  PRO   9           2HB      PRO   9  18.464  -2.321  -9.113
   38    HG2  PRO   9           1HG      PRO   9  19.653  -4.182  -7.093
   39    HG3  PRO   9           2HG      PRO   9  20.471  -3.116  -8.250
   40    HD2  PRO   9           1HD      PRO   9  20.167  -2.470  -5.638
   41    HD3  PRO   9           2HD      PRO   9  20.182  -1.250  -6.929
   42    H    GLU  10           H        GLU  10  17.914  -3.839  -5.189
   43    HA   GLU  10           HA       GLU  10  16.001  -5.940  -5.620
   44    HB2  GLU  10           1HB      GLU  10  17.810  -5.343  -3.273
   45    HB3  GLU  10           2HB      GLU  10  16.825  -6.791  -3.432
   46    HG2  GLU  10           1HG      GLU  10  18.091  -7.588  -5.239
   47    HG3  GLU  10           2HG      GLU  10  18.865  -6.024  -5.491
   48    H    GLY  11           H        GLY  11  13.922  -5.817  -5.113
   49    HA2  GLY  11           1HA      GLY  11  12.511  -3.808  -4.030
   50    HA3  GLY  11           2HA      GLY  11  12.051  -5.486  -3.779
   51    H    GLN  12           H        GLN  12  12.013  -2.932  -2.089
   52    HA   GLN  12           HA       GLN  12  13.281  -4.128   0.286
   53    HB2  GLN  12           1HB      GLN  12  13.118  -1.239  -0.550
   54    HB3  GLN  12           2HB      GLN  12  13.437  -1.712   1.113
   55    HG2  GLN  12           1HG      GLN  12  15.112  -2.753  -1.136
   56    HG3  GLN  12           2HG      GLN  12  15.420  -1.173  -0.420
   57   HE21  GLN  12          1HE2      GLN  12  16.737  -1.109   1.255
   58   HE22  GLN  12          2HE2      GLN  12  17.171  -2.448   2.256
   59    H    LYS  13           H        LYS  13  12.138  -4.088   2.200
   60    HA   LYS  13           HA       LYS  13   9.358  -4.236   2.075
   61    HB2  LYS  13           1HB      LYS  13   9.480  -4.078   4.598
   62    HB3  LYS  13           2HB      LYS  13  10.455  -5.344   3.863
   63    HG2  LYS  13           1HG      LYS  13  12.448  -3.986   4.099
   64    HG3  LYS  13           2HG      LYS  13  11.488  -2.662   4.765
   65    HD2  LYS  13           1HD      LYS  13  12.346  -3.677   6.667
   66    HD3  LYS  13           2HD      LYS  13  10.746  -4.411   6.527
   67    HE2  LYS  13           1HE      LYS  13  12.083  -6.189   5.100
   68    HE3  LYS  13           2HE      LYS  13  13.437  -5.594   6.060
   69    HZ1  LYS  13           3HZ      LYS  13  11.730  -5.971   7.998
   70    HZ2  LYS  13           1HZ      LYS  13  12.676  -7.243   7.406
   71    HZ3  LYS  13           2HZ      LYS  13  11.066  -7.085   6.911
   72    H    VAL  14           H        VAL  14   8.116  -2.579   1.454
   73    HA   VAL  14           HA       VAL  14   8.259  -0.105   3.015
   74    HB   VAL  14           HB       VAL  14   9.454   0.559   1.085
   75   HG11  VAL  14          1HG1      VAL  14   8.585  -1.492  -0.227
   76   HG12  VAL  14          2HG1      VAL  14   7.306  -0.402  -0.765
   77   HG13  VAL  14          3HG1      VAL  14   8.993  -0.023  -1.113
   78   HG21  VAL  14          3HG2      VAL  14   7.871   2.137  -0.042
   79   HG22  VAL  14          1HG2      VAL  14   6.560   1.364   0.849
   80   HG23  VAL  14          2HG2      VAL  14   7.842   2.206   1.720
   81    H    ASP  15           H        ASP  15   6.350  -0.306   4.046
   82    HA   ASP  15           HA       ASP  15   4.107  -0.462   4.414
   83    HB2  ASP  15           1HB      ASP  15   4.208   0.837   1.699
   84    HB3  ASP  15           2HB      ASP  15   2.678   0.520   2.511
   85    H    HIS  16           H        HIS  16   5.255  -2.854   3.642
   86    HA   HIS  16           HA       HIS  16   3.726  -4.088   1.546
   87    HB2  HIS  16           1HB      HIS  16   5.796  -4.989   3.499
   88    HB3  HIS  16           2HB      HIS  16   4.779  -6.209   2.738
   89    HD1  HIS  16           1HD      HIS  16   6.414  -3.120   1.230
   90    HD2  HIS  16           2HD      HIS  16   6.327  -7.250   0.779
   91    HE1  HIS  16           1HE      HIS  16   7.831  -3.606  -0.790
   92    HE2  HIS  16           2HE      HIS  16   7.694  -6.103  -1.093
   93    H    CYS  17           H        CYS  17   1.848  -5.150   1.691
   94    HA   CYS  17           HA       CYS  17   0.193  -4.919   3.933
   95    HB2  CYS  17           1HB      CYS  17  -0.584  -5.278   1.587
   96    HB3  CYS  17           2HB      CYS  17  -0.053  -6.952   1.708
   97    H    ALA  18           H        ALA  18   0.023  -6.048   5.755
   98    HA   ALA  18           HA       ALA  18   1.800  -8.237   6.275
   99    HB1  ALA  18           3HB      ALA  18   1.473  -6.828   8.107
  100    HB2  ALA  18           1HB      ALA  18  -0.278  -6.808   7.897
  101    HB3  ALA  18           2HB      ALA  18   0.522  -8.261   8.499
  102    H    ARG  19           H        ARG  19  -0.971  -8.162   4.584
  103    HA   ARG  19           HA       ARG  19  -1.950 -10.745   5.589
  104    HB2  ARG  19           1HB      ARG  19  -3.674  -9.055   5.488
  105    HB3  ARG  19           2HB      ARG  19  -3.263  -8.679   3.820
  106    HG2  ARG  19           1HG      ARG  19  -4.038 -10.849   3.098
  107    HG3  ARG  19           2HG      ARG  19  -4.353 -11.320   4.769
  108    HD2  ARG  19           1HD      ARG  19  -6.051  -9.607   4.966
  109    HD3  ARG  19           2HD      ARG  19  -5.688  -9.023   3.343
  110    HE   ARG  19           HE       ARG  19  -6.967 -10.716   2.490
  111   HH11  ARG  19          2HH1      ARG  19  -6.201 -11.433   5.810
  112   HH12  ARG  19          1HH1      ARG  19  -7.249 -12.810   5.891
  113   HH21  ARG  19          2HH2      ARG  19  -8.350 -12.528   2.584
  114   HH22  ARG  19          1HH2      ARG  19  -8.470 -13.433   4.055
  115    H    HIS  20           H        HIS  20  -0.937  -9.051   2.656
  116    HA   HIS  20           HA       HIS  20  -0.653 -11.669   1.332
  117    HB2  HIS  20           1HB      HIS  20  -1.055  -9.010  -0.045
  118    HB3  HIS  20           2HB      HIS  20  -1.067 -10.606  -0.789
  119    HD2  HIS  20           2HD      HIS  20  -3.389 -12.188  -0.081
  120    HE1  HIS  20           1HE      HIS  20  -5.660  -8.779   1.027
  121    HE2  HIS  20           2HE      HIS  20  -5.714 -11.254   0.561
  122    H    GLY  21           H        GLY  21   0.812  -8.574   2.044
  123    HA2  GLY  21           1HA      GLY  21   3.174  -8.389   2.369
  124    HA3  GLY  21           2HA      GLY  21   3.401  -9.689   1.208
  125    H    GLU  22           H        GLU  22   1.240  -8.161  -0.432
  126    HA   GLU  22           HA       GLU  22   3.017  -6.938  -2.226
  127    HB2  GLU  22           1HB      GLU  22   0.057  -7.035  -1.911
  128    HB3  GLU  22           2HB      GLU  22   0.724  -5.803  -2.972
  129    HG2  GLU  22           1HG      GLU  22   0.791  -8.770  -3.243
  130    HG3  GLU  22           2HG      GLU  22   0.319  -7.545  -4.420
  131    H    LYS  23           H        LYS  23   3.536  -4.812  -2.640
  132    HA   LYS  23           HA       LYS  23   3.711  -3.071  -0.431
  133    HB2  LYS  23           1HB      LYS  23   4.111  -2.593  -3.386
  134    HB3  LYS  23           2HB      LYS  23   4.456  -1.386  -2.153
  135    HG2  LYS  23           1HG      LYS  23   6.315  -2.469  -1.412
  136    HG3  LYS  23           2HG      LYS  23   5.699  -4.063  -1.853
  137    HD2  LYS  23           1HD      LYS  23   7.330  -3.779  -3.446
  138    HD3  LYS  23           2HD      LYS  23   5.928  -3.125  -4.296
  139    HE2  LYS  23           1HE      LYS  23   7.755  -1.383  -2.669
  140    HE3  LYS  23           2HE      LYS  23   8.099  -1.770  -4.354
  141    HZ1  LYS  23           3HZ      LYS  23   6.411  -0.485  -5.090
  142    HZ2  LYS  23           1HZ      LYS  23   6.682   0.334  -3.635
  143    HZ3  LYS  23           2HZ      LYS  23   5.422  -0.789  -3.752
  144    H    LEU  24           H        LEU  24   2.378  -1.554   0.333
  145    HA   LEU  24           HA       LEU  24  -0.216  -1.222  -0.904
  146    HB2  LEU  24           1HB      LEU  24   0.897   0.064   1.584
  147    HB3  LEU  24           2HB      LEU  24  -0.793   0.033   1.085
  148    HG   LEU  24           HG       LEU  24   0.671  -2.525   1.612
  149   HD11  LEU  24          1HD1      LEU  24  -0.634  -2.111   3.937
  150   HD12  LEU  24          2HD1      LEU  24  -0.093  -0.472   3.574
  151   HD13  LEU  24          3HD1      LEU  24   1.082  -1.782   3.694
  152   HD21  LEU  24          3HD2      LEU  24  -1.712  -2.198   0.576
  153   HD22  LEU  24          1HD2      LEU  24  -2.181  -1.939   2.256
  154   HD23  LEU  24          2HD2      LEU  24  -1.422  -3.457   1.777
  155    H    LEU  25           H        LEU  25  -0.196   0.070  -2.654
  156    HA   LEU  25           HA       LEU  25   1.026   2.736  -2.361
  157    HB2  LEU  25           1HB      LEU  25   0.515   1.309  -4.959
  158    HB3  LEU  25           2HB      LEU  25   1.450   2.780  -4.703
  159    HG   LEU  25           HG       LEU  25   2.270   0.097  -3.606
  160   HD11  LEU  25          1HD1      LEU  25   2.824  -0.528  -5.660
  161   HD12  LEU  25          2HD1      LEU  25   3.958   0.821  -5.717
  162   HD13  LEU  25          3HD1      LEU  25   2.315   1.025  -6.324
  163   HD21  LEU  25          3HD2      LEU  25   4.516   1.563  -3.962
  164   HD22  LEU  25          1HD2      LEU  25   3.608   1.489  -2.452
  165   HD23  LEU  25          2HD2      LEU  25   3.354   2.831  -3.568
  166    H    LEU  26           H        LEU  26  -1.837   1.233  -2.254
  167    HA   LEU  26           HA       LEU  26  -3.262   3.455  -3.565
  168    HB2  LEU  26           1HB      LEU  26  -4.335   0.697  -3.009
  169    HB3  LEU  26           2HB      LEU  26  -5.127   1.981  -3.919
  170    HG   LEU  26           HG       LEU  26  -2.530   0.802  -4.849
  171   HD11  LEU  26          1HD1      LEU  26  -4.284  -0.485  -6.393
  172   HD12  LEU  26          2HD1      LEU  26  -5.226  -0.414  -4.904
  173   HD13  LEU  26          3HD1      LEU  26  -3.634  -1.173  -4.905
  174   HD21  LEU  26          3HD2      LEU  26  -4.657   1.681  -6.691
  175   HD22  LEU  26          1HD2      LEU  26  -2.913   1.931  -6.764
  176   HD23  LEU  26          2HD2      LEU  26  -3.906   2.947  -5.719
  177    H    PHE  27           H        PHE  27  -5.105   4.310  -2.511
  178    HA   PHE  27           HA       PHE  27  -5.266   3.683   0.363
  179    HB2  PHE  27           1HB      PHE  27  -4.133   5.870  -0.142
  180    HB3  PHE  27           2HB      PHE  27  -5.644   6.423  -0.854
  181    HD1  PHE  27           1HD      PHE  27  -7.655   6.682   0.577
  182    HD2  PHE  27           2HD      PHE  27  -3.810   5.844   2.198
  183    HE1  PHE  27           1HE      PHE  27  -8.434   7.413   2.794
  184    HE2  PHE  27           2HE      PHE  27  -4.582   6.572   4.417
  185    HZ   PHE  27           HZ       PHE  27  -6.897   7.358   4.717
  186    H    CYS  28           H        CYS  28  -7.153   2.743   0.755
  187    HA   CYS  28           HA       CYS  28  -9.420   3.044  -0.962
  188    HB2  CYS  28           1HB      CYS  28  -8.686   1.030   0.565
  189    HB3  CYS  28           2HB      CYS  28  -9.632   1.875   1.785
  190    H    GLN  29           H        GLN  29 -11.155   4.336  -0.766
  191    HA   GLN  29           HA       GLN  29 -11.081   6.394   1.282
  192    HB2  GLN  29           1HB      GLN  29 -12.590   6.012  -1.277
  193    HB3  GLN  29           2HB      GLN  29 -13.165   7.176  -0.091
  194    HG2  GLN  29           1HG      GLN  29 -10.320   7.255  -0.981
  195    HG3  GLN  29           2HG      GLN  29 -11.584   7.930  -2.008
  196   HE21  GLN  29          1HE2      GLN  29 -13.039   9.511  -0.954
  197   HE22  GLN  29          2HE2      GLN  29 -12.350  10.603   0.194
  198    H    GLU  30           H        GLU  30 -13.161   3.744   0.236
  199    HA   GLU  30           HA       GLU  30 -15.352   4.255   1.899
  200    HB2  GLU  30           1HB      GLU  30 -14.252   1.746   0.663
  201    HB3  GLU  30           2HB      GLU  30 -15.652   1.688   1.725
  202    HG2  GLU  30           1HG      GLU  30 -15.472   3.370  -0.763
  203    HG3  GLU  30           2HG      GLU  30 -16.217   1.774  -0.681
  204    H    ASP  31           H        ASP  31 -12.334   2.543   2.502
  205    HA   ASP  31           HA       ASP  31 -13.158   2.108   5.290
  206    HB2  ASP  31           1HB      ASP  31 -10.944   0.839   3.666
  207    HB3  ASP  31           2HB      ASP  31 -11.220   0.532   5.379
  208    H    GLY  32           H        GLY  32 -11.067   3.937   3.278
  209    HA2  GLY  32           1HA      GLY  32  -9.629   5.661   3.776
  210    HA3  GLY  32           2HA      GLY  32 -10.206   5.573   5.434
  211    H    LYS  33           H        LYS  33  -8.781   2.835   3.796
  212    HA   LYS  33           HA       LYS  33  -6.298   3.211   5.324
  213    HB2  LYS  33           1HB      LYS  33  -6.315   0.740   5.782
  214    HB3  LYS  33           2HB      LYS  33  -7.552   1.655   6.634
  215    HG2  LYS  33           1HG      LYS  33  -8.843  -0.051   5.915
  216    HG3  LYS  33           2HG      LYS  33  -8.965   0.972   4.483
  217    HD2  LYS  33           1HD      LYS  33  -8.471  -1.199   3.690
  218    HD3  LYS  33           2HD      LYS  33  -6.962  -0.288   3.578
  219    HE2  LYS  33           1HE      LYS  33  -6.394  -2.394   4.488
  220    HE3  LYS  33           2HE      LYS  33  -6.360  -1.254   5.833
  221    HZ1  LYS  33           3HZ      LYS  33  -8.944  -2.286   5.661
  222    HZ2  LYS  33           1HZ      LYS  33  -7.803  -2.537   6.885
  223    HZ3  LYS  33           2HZ      LYS  33  -7.881  -3.599   5.571
  224    H    VAL  34           H        VAL  34  -4.438   2.256   4.427
  225    HA   VAL  34           HA       VAL  34  -4.428   2.147   1.574
  226    HB   VAL  34           HB       VAL  34  -1.995   1.310   2.030
  227   HG11  VAL  34          1HG1      VAL  34  -2.845   4.071   2.897
  228   HG12  VAL  34          2HG1      VAL  34  -1.253   3.595   2.302
  229   HG13  VAL  34          3HG1      VAL  34  -2.648   3.550   1.224
  230   HG21  VAL  34          3HG2      VAL  34  -1.111   1.721   4.182
  231   HG22  VAL  34          1HG2      VAL  34  -2.588   2.523   4.718
  232   HG23  VAL  34          2HG2      VAL  34  -2.581   0.781   4.439
  233    H    ILE  35           H        ILE  35  -4.577   0.446   0.253
  234    HA   ILE  35           HA       ILE  35  -4.243  -2.250   1.377
  235    HB   ILE  35           HB       ILE  35  -6.150  -3.074   0.121
  236   HG12  ILE  35          1HG1      ILE  35  -6.706  -0.195  -0.621
  237   HG13  ILE  35          2HG1      ILE  35  -5.988  -1.374  -1.713
  238   HG21  ILE  35          1HG2      ILE  35  -7.193  -0.689   1.596
  239   HG22  ILE  35          2HG2      ILE  35  -7.811  -2.340   1.562
  240   HG23  ILE  35          3HG2      ILE  35  -6.334  -1.969   2.453
  241   HD11  ILE  35          3HD1      ILE  35  -8.757  -0.941  -1.012
  242   HD12  ILE  35          1HD1      ILE  35  -8.056  -1.832  -2.362
  243   HD13  ILE  35          2HD1      ILE  35  -8.274  -2.624  -0.800
  244    H    CYS  36           H        CYS  36  -3.643  -3.876  -0.137
  245    HA   CYS  36           HA       CYS  36  -2.197  -2.785  -2.438
  246    HB2  CYS  36           1HB      CYS  36  -1.001  -4.955  -2.436
  247    HB3  CYS  36           2HB      CYS  36  -0.857  -4.105  -0.901
  248    H    TRP  37           H        TRP  37  -1.992  -4.599  -4.249
  249    HA   TRP  37           HA       TRP  37  -4.370  -4.667  -5.639
  250    HB2  TRP  37           1HB      TRP  37  -2.593  -6.969  -6.144
  251    HB3  TRP  37           2HB      TRP  37  -3.197  -5.742  -7.255
  252    HD1  TRP  37           HD       TRP  37  -0.041  -6.910  -6.270
  253    HE1  TRP  37           1HE      TRP  37   1.767  -5.078  -6.233
  254    HE3  TRP  37           3HE      TRP  37  -3.064  -2.787  -6.253
  255    HZ2  TRP  37           2HZ      TRP  37   1.895  -2.258  -6.200
  256    HZ3  TRP  37           3HZ      TRP  37  -2.019  -0.559  -6.217
  257    HH2  TRP  37           HH       TRP  37   0.409  -0.303  -6.191
  258    H    LEU  38           H        LEU  38  -2.913  -7.361  -3.812
  259    HA   LEU  38           HA       LEU  38  -4.884  -9.252  -4.174
  260    HB2  LEU  38           1HB      LEU  38  -2.914  -8.699  -2.018
  261    HB3  LEU  38           2HB      LEU  38  -4.178  -9.886  -1.701
  262    HG   LEU  38           HG       LEU  38  -2.283 -11.097  -2.421
  263   HD11  LEU  38          1HD1      LEU  38  -3.902 -10.855  -4.936
  264   HD12  LEU  38          2HD1      LEU  38  -4.544 -11.613  -3.479
  265   HD13  LEU  38          3HD1      LEU  38  -3.112 -12.281  -4.263
  266   HD21  LEU  38          3HD2      LEU  38  -1.844 -10.059  -5.058
  267   HD22  LEU  38          1HD2      LEU  38  -0.706 -10.235  -3.722
  268   HD23  LEU  38          2HD2      LEU  38  -1.676  -8.768  -3.866
  269    H    CYS  39           H        CYS  39  -4.844  -6.499  -2.005
  270    HA   CYS  39           HA       CYS  39  -7.203  -7.303  -0.571
  271    HB2  CYS  39           1HB      CYS  39  -5.531  -4.804  -0.642
  272    HB3  CYS  39           2HB      CYS  39  -7.069  -4.838   0.213
  273    H    GLU  40           H        GLU  40  -6.505  -4.615  -2.814
  274    HA   GLU  40           HA       GLU  40  -9.061  -3.638  -3.115
  275    HB2  GLU  40           1HB      GLU  40  -7.200  -2.464  -4.071
  276    HB3  GLU  40           2HB      GLU  40  -6.820  -3.815  -5.129
  277    HG2  GLU  40           1HG      GLU  40  -8.775  -3.443  -6.435
  278    HG3  GLU  40           2HG      GLU  40  -9.383  -2.253  -5.286
  279    H    ARG  41           H        ARG  41  -7.567  -6.404  -4.701
  280    HA   ARG  41           HA       ARG  41  -9.829  -6.869  -6.426
  281    HB2  ARG  41           1HB      ARG  41  -8.614  -8.709  -7.285
  282    HB3  ARG  41           2HB      ARG  41  -7.420  -7.458  -6.965
  283    HG2  ARG  41           1HG      ARG  41  -6.329  -9.219  -6.056
  284    HG3  ARG  41           2HG      ARG  41  -7.270  -8.736  -4.643
  285    HD2  ARG  41           1HD      ARG  41  -7.447 -11.116  -4.916
  286    HD3  ARG  41           2HD      ARG  41  -9.004 -10.382  -5.297
  287    HE   ARG  41           HE       ARG  41  -8.726 -10.982  -7.523
  288   HH11  ARG  41          2HH1      ARG  41  -5.881 -11.734  -5.663
  289   HH12  ARG  41          1HH1      ARG  41  -5.182 -12.735  -6.893
  290   HH21  ARG  41          2HH2      ARG  41  -7.817 -12.297  -9.150
  291   HH22  ARG  41          1HH2      ARG  41  -6.284 -13.053  -8.876
  292    H    SER  42           H        SER  42  -9.097  -7.525  -3.202
  293    HA   SER  42           HA       SER  42 -10.412 -10.039  -2.922
  294    HB2  SER  42           1HB      SER  42  -8.704  -8.952  -1.328
  295    HB3  SER  42           2HB      SER  42 -10.071  -8.032  -0.701
  296    HG   SER  42           HG       SER  42  -9.878 -10.863  -0.812
  297    H    GLN  43           H        GLN  43 -12.479 -10.510  -2.261
  298    HA   GLN  43           HA       GLN  43 -14.557  -8.853  -3.081
  299    HB2  GLN  43           1HB      GLN  43 -14.518 -11.400  -2.540
  300    HB3  GLN  43           2HB      GLN  43 -14.955 -10.890  -0.915
  301    HG2  GLN  43           1HG      GLN  43 -16.549  -9.805  -3.162
  302    HG3  GLN  43           2HG      GLN  43 -16.761 -11.506  -2.752
  303   HE21  GLN  43          1HE2      GLN  43 -18.605  -9.246  -2.497
  304   HE22  GLN  43          2HE2      GLN  43 -19.063  -9.195  -0.832
  305    H    GLU  44           H        GLU  44 -12.638  -8.614  -0.318
  306    HA   GLU  44           HA       GLU  44 -14.564  -7.498   1.472
  307    HB2  GLU  44           1HB      GLU  44 -12.401  -8.567   2.167
  308    HB3  GLU  44           2HB      GLU  44 -11.564  -7.156   1.536
  309    HG2  GLU  44           1HG      GLU  44 -12.599  -5.733   3.148
  310    HG3  GLU  44           2HG      GLU  44 -13.662  -7.032   3.687
  311    H    HIS  45           H        HIS  45 -12.206  -6.171  -0.797
  312    HA   HIS  45           HA       HIS  45 -13.265  -3.478  -0.265
  313    HB2  HIS  45           1HB      HIS  45 -10.649  -4.384  -1.473
  314    HB3  HIS  45           2HB      HIS  45 -11.186  -2.707  -1.477
  315    HD2  HIS  45           2HD      HIS  45  -9.361  -5.164   0.799
  316    HE1  HIS  45           1HE      HIS  45 -10.304  -1.768   3.160
  317    HE2  HIS  45           2HE      HIS  45  -8.929  -3.872   2.998
  318    H    ARG  46           H        ARG  46 -14.274  -5.749  -2.063
  319    HA   ARG  46           HA       ARG  46 -13.960  -5.049  -4.750
  320    HB2  ARG  46           1HB      ARG  46 -15.183  -7.078  -3.510
  321    HB3  ARG  46           2HB      ARG  46 -16.597  -6.094  -3.862
  322    HG2  ARG  46           1HG      ARG  46 -16.353  -6.321  -6.146
  323    HG3  ARG  46           2HG      ARG  46 -14.637  -6.714  -6.026
  324    HD2  ARG  46           1HD      ARG  46 -16.611  -8.556  -4.773
  325    HD3  ARG  46           2HD      ARG  46 -16.448  -8.568  -6.529
  326    HE   ARG  46           HE       ARG  46 -13.887  -8.748  -5.613
  327   HH11  ARG  46          2HH1      ARG  46 -16.811 -10.563  -5.092
  328   HH12  ARG  46          1HH1      ARG  46 -15.987 -12.062  -4.818
  329   HH21  ARG  46          2HH2      ARG  46 -12.790 -10.715  -5.255
  330   HH22  ARG  46          1HH2      ARG  46 -13.699 -12.148  -4.910
  331    H    GLY  47           H        GLY  47 -14.776  -3.479  -6.000
  332    HA2  GLY  47           1HA      GLY  47 -16.101  -1.728  -6.701
  333    HA3  GLY  47           2HA      GLY  47 -17.260  -2.176  -5.458
  334    H    HIS  48           H        HIS  48 -14.028  -1.623  -4.436
  335    HA   HIS  48           HA       HIS  48 -14.894   0.860  -3.139
  336    HB2  HIS  48           1HB      HIS  48 -12.571  -0.986  -2.554
  337    HB3  HIS  48           2HB      HIS  48 -12.892   0.512  -1.685
  338    HD2  HIS  48           2HD      HIS  48 -16.062  -1.527  -2.399
  339    HE1  HIS  48           1HE      HIS  48 -14.925  -2.325   1.609
  340    HE2  HIS  48           2HE      HIS  48 -16.684  -2.664  -0.161
  341    H    HIS  49           H        HIS  49 -14.106   2.776  -3.728
  342    HA   HIS  49           HA       HIS  49 -12.290   2.959  -5.941
  343    HB2  HIS  49           1HB      HIS  49 -13.541   5.093  -4.202
  344    HB3  HIS  49           2HB      HIS  49 -12.581   5.418  -5.642
  345    HD1  HIS  49           1HD      HIS  49 -15.975   5.015  -4.595
  346    HD2  HIS  49           2HD      HIS  49 -13.828   4.087  -8.029
  347    HE1  HIS  49           1HE      HIS  49 -17.697   4.708  -6.402
  348    HE2  HIS  49           2HE      HIS  49 -16.380   4.063  -8.450
  349    H    THR  50           H        THR  50 -10.154   3.211  -5.895
  350    HA   THR  50           HA       THR  50  -8.895   4.029  -3.358
  351    HB   THR  50           HB       THR  50  -7.043   2.519  -3.781
  352    HG1  THR  50           1HG      THR  50  -8.507   1.835  -6.129
  353   HG21  THR  50          3HG2      THR  50  -9.400   1.762  -2.813
  354   HG22  THR  50          1HG2      THR  50  -8.071   0.623  -3.025
  355   HG23  THR  50          2HG2      THR  50  -9.358   0.710  -4.228
  356    H    PHE  51           H        PHE  51  -6.792   5.042  -3.573
  357    HA   PHE  51           HA       PHE  51  -6.180   6.122  -6.223
  358    HB2  PHE  51           1HB      PHE  51  -6.387   7.890  -3.782
  359    HB3  PHE  51           2HB      PHE  51  -6.069   8.394  -5.438
  360    HD1  PHE  51           1HD      PHE  51  -8.647   6.708  -3.352
  361    HD2  PHE  51           2HD      PHE  51  -7.817   9.093  -6.778
  362    HE1  PHE  51           1HE      PHE  51 -11.060   7.027  -3.711
  363    HE2  PHE  51           2HE      PHE  51 -10.228   9.417  -7.142
  364    HZ   PHE  51           HZ       PHE  51 -11.854   8.384  -5.607
  365    HA   PRO  52           HA       PRO  52  -2.025   5.321  -5.030
  366    HB2  PRO  52           1HB      PRO  52  -0.733   7.059  -6.667
  367    HB3  PRO  52           2HB      PRO  52  -1.490   5.572  -7.250
  368    HG2  PRO  52           1HG      PRO  52  -2.528   8.379  -7.318
  369    HG3  PRO  52           2HG      PRO  52  -2.587   7.134  -8.579
  370    HD2  PRO  52           1HD      PRO  52  -4.710   7.710  -7.001
  371    HD3  PRO  52           2HD      PRO  52  -4.402   6.078  -7.628
  372    H    THR  53           H        THR  53  -2.453   6.269  -2.867
  373    HA   THR  53           HA       THR  53  -2.037   8.990  -2.284
  374    HB   THR  53           HB       THR  53  -3.124   7.528  -0.677
  375    HG1  THR  53           1HG      THR  53  -2.316   9.068   0.556
  376   HG21  THR  53          3HG2      THR  53  -0.434   6.204  -0.319
  377   HG22  THR  53          1HG2      THR  53  -1.805   5.491  -1.167
  378   HG23  THR  53          2HG2      THR  53  -1.916   5.830   0.560
  379    H    SER  54           H        SER  54   0.177   6.236  -2.391
  380    HA   SER  54           HA       SER  54   2.426   7.987  -1.732
  381    HB2  SER  54           1HB      SER  54   3.733   5.932  -1.522
  382    HB3  SER  54           2HB      SER  54   2.253   5.809  -0.570
  383    HG   SER  54           HG       SER  54   2.734   4.683  -3.131
  384    H    GLY  55           H        GLY  55   1.294   5.821  -4.300
  385    HA2  GLY  55           1HA      GLY  55   3.277   5.692  -6.085
  386    HA3  GLY  55           2HA      GLY  55   1.634   6.058  -6.591
  387    HA   PRO  56           HA       PRO  56   4.683   9.848  -6.762
  388    HB2  PRO  56           1HB      PRO  56   6.494   9.237  -8.690
  389    HB3  PRO  56           2HB      PRO  56   6.782   8.936  -6.972
  390    HG2  PRO  56           1HG      PRO  56   5.886   7.035  -9.103
  391    HG3  PRO  56           2HG      PRO  56   7.078   6.789  -7.814
  392    HD2  PRO  56           1HD      PRO  56   4.544   5.850  -7.652
  393    HD3  PRO  56           2HD      PRO  56   5.461   6.373  -6.225
  394    H    SER  57           H        SER  57   4.742  11.398  -8.506
  395    HA   SER  57           HA       SER  57   2.698  10.838 -10.519
  396    HB2  SER  57           1HB      SER  57   2.231  12.838  -9.339
  397    HB3  SER  57           2HB      SER  57   3.903  13.387  -9.448
  398    HG   SER  57           HG       SER  57   2.875  14.507 -11.003
  399    H    SER  58           H        SER  58   6.024  12.021 -10.258
  400    HA   SER  58           HA       SER  58   6.370  11.423 -13.123
  401    HB2  SER  58           1HB      SER  58   6.411  13.832 -12.856
  402    HB3  SER  58           2HB      SER  58   7.581  13.703 -11.542
  403    HG   SER  58           HG       SER  58   8.981  12.680 -13.164
  404    H    GLY  59           H        GLY  59   7.577   9.652 -13.276
  405    HA2  GLY  59           1HA      GLY  59  10.122   9.562 -11.847
  406    HA3  GLY  59           2HA      GLY  59   9.000   8.245 -11.542
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   4.300 -22.050 -14.881
    2    HA2  GLY   1           1HA      GLY   1   4.207 -23.842 -13.081
    3    HA3  GLY   1           2HA      GLY   1   4.992 -22.348 -12.590
    4    H    SER   2           H        SER   2   4.287 -23.387 -10.463
    5    HA   SER   2           HA       SER   2   1.570 -22.454  -9.801
    6    HB2  SER   2           1HB      SER   2   3.130 -24.788  -8.679
    7    HB3  SER   2           2HB      SER   2   1.655 -24.162  -7.942
    8    HG   SER   2           HG       SER   2   0.811 -25.598  -9.265
    9    H    SER   3           H        SER   3   1.411 -20.907  -8.313
   10    HA   SER   3           HA       SER   3   3.839 -20.151  -6.844
   11    HB2  SER   3           1HB      SER   3   2.453 -18.534  -8.377
   12    HB3  SER   3           2HB      SER   3   1.389 -18.427  -6.976
   13    HG   SER   3           HG       SER   3   2.943 -16.815  -6.843
   14    H    GLY   4           H        GLY   4   3.695 -19.549  -4.614
   15    HA2  GLY   4           1HA      GLY   4   1.334 -20.630  -3.214
   16    HA3  GLY   4           2HA      GLY   4   2.957 -21.090  -2.719
   17    H    SER   5           H        SER   5   4.421 -19.241  -2.134
   18    HA   SER   5           HA       SER   5   2.924 -17.005  -0.949
   19    HB2  SER   5           1HB      SER   5   4.776 -18.927   0.411
   20    HB3  SER   5           2HB      SER   5   4.704 -17.257   0.974
   21    HG   SER   5           HG       SER   5   2.727 -17.570   1.701
   22    H    SER   6           H        SER   6   3.775 -15.077  -1.380
   23    HA   SER   6           HA       SER   6   5.694 -14.520  -3.186
   24    HB2  SER   6           1HB      SER   6   5.865 -12.302  -2.266
   25    HB3  SER   6           2HB      SER   6   4.205 -12.851  -2.035
   26    HG   SER   6           HG       SER   6   4.673 -13.274   0.113
   27    H    GLY   7           H        GLY   7   6.260 -15.002   0.284
   28    HA2  GLY   7           1HA      GLY   7   8.248 -16.207   0.980
   29    HA3  GLY   7           2HA      GLY   7   9.106 -15.450  -0.354
   30    H    SER   8           H        SER   8  10.251 -13.664   0.048
   31    HA   SER   8           HA       SER   8   9.543 -11.864   2.190
   32    HB2  SER   8           1HB      SER   8  11.984 -13.626   2.350
   33    HB3  SER   8           2HB      SER   8  11.892 -12.085   3.203
   34    HG   SER   8           HG       SER   8   9.885 -14.056   3.464
   35    HA   PRO   9           HA       PRO   9  11.354  -9.089  -0.725
   36    HB2  PRO   9           1HB      PRO   9  11.463  -6.892   0.865
   37    HB3  PRO   9           2HB      PRO   9   9.957  -7.498   0.167
   38    HG2  PRO   9           1HG      PRO   9  11.058  -7.888   2.923
   39    HG3  PRO   9           2HG      PRO   9   9.396  -7.523   2.423
   40    HD2  PRO   9           1HD      PRO   9  10.200 -10.020   3.096
   41    HD3  PRO   9           2HD      PRO   9   8.945  -9.716   1.878
   42    H    GLU  10           H        GLU  10  12.657  -8.823   2.591
   43    HA   GLU  10           HA       GLU  10  14.775  -8.494   3.368
   44    HB2  GLU  10           1HB      GLU  10  15.020 -10.492   1.187
   45    HB3  GLU  10           2HB      GLU  10  16.514  -9.774   1.773
   46    HG2  GLU  10           1HG      GLU  10  16.068 -10.527   4.006
   47    HG3  GLU  10           2HG      GLU  10  14.472 -11.109   3.533
   48    H    GLY  11           H        GLY  11  13.834  -6.372   1.837
   49    HA2  GLY  11           1HA      GLY  11  16.148  -4.904   1.348
   50    HA3  GLY  11           2HA      GLY  11  15.628  -5.557  -0.198
   51    H    GLN  12           H        GLN  12  13.641  -4.879  -1.089
   52    HA   GLN  12           HA       GLN  12  12.955  -2.171  -0.402
   53    HB2  GLN  12           1HB      GLN  12  11.472  -2.274  -2.345
   54    HB3  GLN  12           2HB      GLN  12  13.077  -2.870  -2.744
   55    HG2  GLN  12           1HG      GLN  12  12.013  -5.196  -2.174
   56    HG3  GLN  12           2HG      GLN  12  10.507  -4.347  -2.518
   57   HE21  GLN  12          1HE2      GLN  12  10.983  -2.789  -4.573
   58   HE22  GLN  12          2HE2      GLN  12  11.538  -3.674  -5.949
   59    H    LYS  13           H        LYS  13  11.766  -1.892   1.385
   60    HA   LYS  13           HA       LYS  13   9.206  -3.326   1.547
   61    HB2  LYS  13           1HB      LYS  13   9.516  -3.300   4.072
   62    HB3  LYS  13           2HB      LYS  13  10.499  -4.449   3.174
   63    HG2  LYS  13           1HG      LYS  13  12.449  -3.247   3.517
   64    HG3  LYS  13           2HG      LYS  13  11.582  -1.750   3.870
   65    HD2  LYS  13           1HD      LYS  13  10.927  -2.528   6.009
   66    HD3  LYS  13           2HD      LYS  13  11.419  -4.182   5.637
   67    HE2  LYS  13           1HE      LYS  13  13.210  -3.513   6.889
   68    HE3  LYS  13           2HE      LYS  13  13.768  -3.034   5.286
   69    HZ1  LYS  13           3HZ      LYS  13  12.730  -1.335   7.461
   70    HZ2  LYS  13           1HZ      LYS  13  12.679  -0.801   5.857
   71    HZ3  LYS  13           2HZ      LYS  13  14.163  -1.173   6.578
   72    H    VAL  14           H        VAL  14   7.748  -1.779   1.185
   73    HA   VAL  14           HA       VAL  14   7.796   0.594   2.896
   74    HB   VAL  14           HB       VAL  14   8.781   1.497   0.942
   75   HG11  VAL  14          1HG1      VAL  14   8.143   1.071  -1.270
   76   HG12  VAL  14          2HG1      VAL  14   8.047  -0.504  -0.478
   77   HG13  VAL  14          3HG1      VAL  14   6.576   0.420  -0.787
   78   HG21  VAL  14          3HG2      VAL  14   6.225   2.430   0.048
   79   HG22  VAL  14          1HG2      VAL  14   6.223   2.288   1.806
   80   HG23  VAL  14          2HG2      VAL  14   7.446   3.273   1.002
   81    H    ASP  15           H        ASP  15   5.992   0.171   4.034
   82    HA   ASP  15           HA       ASP  15   3.800  -0.168   4.541
   83    HB2  ASP  15           1HB      ASP  15   3.803   1.855   2.827
   84    HB3  ASP  15           2HB      ASP  15   2.954   0.693   1.811
   85    H    HIS  16           H        HIS  16   5.034  -2.458   3.808
   86    HA   HIS  16           HA       HIS  16   3.641  -3.839   1.720
   87    HB2  HIS  16           1HB      HIS  16   5.658  -4.592   3.797
   88    HB3  HIS  16           2HB      HIS  16   4.764  -5.867   2.975
   89    HD1  HIS  16           1HD      HIS  16   6.222  -2.683   1.498
   90    HD2  HIS  16           2HD      HIS  16   6.575  -6.811   1.189
   91    HE1  HIS  16           1HE      HIS  16   7.811  -3.081  -0.410
   92    HE2  HIS  16           2HE      HIS  16   7.943  -5.586  -0.633
   93    H    CYS  17           H        CYS  17   1.781  -4.920   1.825
   94    HA   CYS  17           HA       CYS  17   0.083  -4.763   4.049
   95    HB2  CYS  17           1HB      CYS  17  -0.605  -5.108   1.647
   96    HB3  CYS  17           2HB      CYS  17  -0.114  -6.790   1.816
   97    H    ALA  18           H        ALA  18  -0.029  -5.908   5.860
   98    HA   ALA  18           HA       ALA  18   1.765  -8.094   6.327
   99    HB1  ALA  18           3HB      ALA  18   1.300  -6.522   8.104
  100    HB2  ALA  18           1HB      ALA  18  -0.415  -6.930   8.055
  101    HB3  ALA  18           2HB      ALA  18   0.763  -8.133   8.579
  102    H    ARG  19           H        ARG  19  -1.091  -7.972   4.729
  103    HA   ARG  19           HA       ARG  19  -2.064 -10.558   5.705
  104    HB2  ARG  19           1HB      ARG  19  -3.784  -8.892   5.526
  105    HB3  ARG  19           2HB      ARG  19  -3.298  -8.491   3.885
  106    HG2  ARG  19           1HG      ARG  19  -4.177 -10.477   3.016
  107    HG3  ARG  19           2HG      ARG  19  -4.278 -11.229   4.609
  108    HD2  ARG  19           1HD      ARG  19  -5.897  -9.235   5.112
  109    HD3  ARG  19           2HD      ARG  19  -6.050  -9.180   3.356
  110    HE   ARG  19           HE       ARG  19  -7.363 -11.036   3.478
  111   HH11  ARG  19          2HH1      ARG  19  -5.426 -10.863   6.365
  112   HH12  ARG  19          1HH1      ARG  19  -6.187 -12.228   7.114
  113   HH21  ARG  19          2HH2      ARG  19  -8.373 -12.834   4.453
  114   HH22  ARG  19          1HH2      ARG  19  -7.863 -13.348   6.025
  115    H    HIS  20           H        HIS  20  -0.938  -8.942   2.770
  116    HA   HIS  20           HA       HIS  20  -0.655 -11.591   1.509
  117    HB2  HIS  20           1HB      HIS  20  -1.000  -8.943   0.090
  118    HB3  HIS  20           2HB      HIS  20  -0.955 -10.540  -0.652
  119    HD2  HIS  20           2HD      HIS  20  -3.346 -11.949  -0.591
  120    HE1  HIS  20           1HE      HIS  20  -5.605  -8.930   1.354
  121    HE2  HIS  20           2HE      HIS  20  -5.677 -11.179   0.224
  122    H    GLY  21           H        GLY  21   0.809  -8.437   2.058
  123    HA2  GLY  21           1HA      GLY  21   3.154  -8.224   2.470
  124    HA3  GLY  21           2HA      GLY  21   3.425  -9.639   1.464
  125    H    GLU  22           H        GLU  22   1.181  -7.747  -0.062
  126    HA   GLU  22           HA       GLU  22   3.090  -6.905  -2.043
  127    HB2  GLU  22           1HB      GLU  22   0.128  -6.944  -1.796
  128    HB3  GLU  22           2HB      GLU  22   0.824  -5.769  -2.902
  129    HG2  GLU  22           1HG      GLU  22   0.143  -8.063  -3.817
  130    HG3  GLU  22           2HG      GLU  22   1.706  -7.399  -4.288
  131    H    LYS  23           H        LYS  23   3.607  -4.807  -2.643
  132    HA   LYS  23           HA       LYS  23   3.877  -2.925  -0.580
  133    HB2  LYS  23           1HB      LYS  23   4.017  -2.466  -3.566
  134    HB3  LYS  23           2HB      LYS  23   4.647  -1.385  -2.330
  135    HG2  LYS  23           1HG      LYS  23   6.368  -2.854  -1.755
  136    HG3  LYS  23           2HG      LYS  23   5.587  -4.222  -2.551
  137    HD2  LYS  23           1HD      LYS  23   7.255  -3.667  -4.057
  138    HD3  LYS  23           2HD      LYS  23   5.865  -2.790  -4.703
  139    HE2  LYS  23           1HE      LYS  23   6.703  -0.751  -4.110
  140    HE3  LYS  23           2HE      LYS  23   7.587  -1.395  -2.727
  141    HZ1  LYS  23           3HZ      LYS  23   8.767  -0.639  -4.971
  142    HZ2  LYS  23           1HZ      LYS  23   8.486  -2.263  -5.354
  143    HZ3  LYS  23           2HZ      LYS  23   9.386  -1.862  -3.979
  144    H    LEU  24           H        LEU  24   2.453  -1.573   0.279
  145    HA   LEU  24           HA       LEU  24  -0.150  -1.230  -0.896
  146    HB2  LEU  24           1HB      LEU  24   1.104  -0.019   1.563
  147    HB3  LEU  24           2HB      LEU  24  -0.585   0.176   1.096
  148    HG   LEU  24           HG       LEU  24   0.613  -2.531   1.616
  149   HD11  LEU  24          1HD1      LEU  24   0.950  -1.806   3.721
  150   HD12  LEU  24          2HD1      LEU  24  -0.793  -2.036   3.857
  151   HD13  LEU  24          3HD1      LEU  24  -0.138  -0.430   3.538
  152   HD21  LEU  24          3HD2      LEU  24  -1.754  -1.833   0.508
  153   HD22  LEU  24          1HD2      LEU  24  -2.198  -1.905   2.214
  154   HD23  LEU  24          2HD2      LEU  24  -1.487  -3.316   1.427
  155    H    LEU  25           H        LEU  25  -0.191   0.027  -2.675
  156    HA   LEU  25           HA       LEU  25   1.012   2.710  -2.469
  157    HB2  LEU  25           1HB      LEU  25   0.466   1.118  -4.970
  158    HB3  LEU  25           2HB      LEU  25   1.220   2.709  -4.889
  159    HG   LEU  25           HG       LEU  25   2.411   0.190  -3.732
  160   HD11  LEU  25          1HD1      LEU  25   2.312   0.008  -6.140
  161   HD12  LEU  25          2HD1      LEU  25   3.972   0.317  -5.632
  162   HD13  LEU  25          3HD1      LEU  25   3.004   1.621  -6.319
  163   HD21  LEU  25          3HD2      LEU  25   4.166   1.430  -3.027
  164   HD22  LEU  25          1HD2      LEU  25   2.946   2.702  -2.968
  165   HD23  LEU  25          2HD2      LEU  25   4.028   2.583  -4.356
  166    H    LEU  26           H        LEU  26  -1.840   1.148  -2.290
  167    HA   LEU  26           HA       LEU  26  -3.336   3.321  -3.600
  168    HB2  LEU  26           1HB      LEU  26  -4.266   0.549  -2.866
  169    HB3  LEU  26           2HB      LEU  26  -5.243   1.788  -3.651
  170    HG   LEU  26           HG       LEU  26  -2.751   0.642  -4.893
  171   HD11  LEU  26          1HD1      LEU  26  -5.504  -0.195  -5.687
  172   HD12  LEU  26          2HD1      LEU  26  -4.688  -1.008  -4.353
  173   HD13  LEU  26          3HD1      LEU  26  -3.961  -1.003  -5.960
  174   HD21  LEU  26          3HD2      LEU  26  -4.964   1.678  -6.522
  175   HD22  LEU  26          1HD2      LEU  26  -3.223   1.908  -6.687
  176   HD23  LEU  26          2HD2      LEU  26  -4.135   2.882  -5.533
  177    H    PHE  27           H        PHE  27  -5.376   3.948  -2.519
  178    HA   PHE  27           HA       PHE  27  -5.322   3.575   0.391
  179    HB2  PHE  27           1HB      PHE  27  -4.194   5.737  -0.263
  180    HB3  PHE  27           2HB      PHE  27  -5.743   6.271  -0.907
  181    HD1  PHE  27           1HD      PHE  27  -7.668   6.589   0.626
  182    HD2  PHE  27           2HD      PHE  27  -3.740   5.784   2.055
  183    HE1  PHE  27           1HE      PHE  27  -8.317   7.397   2.858
  184    HE2  PHE  27           2HE      PHE  27  -4.383   6.589   4.288
  185    HZ   PHE  27           HZ       PHE  27  -6.675   7.397   4.693
  186    H    CYS  28           H        CYS  28  -7.180   2.534   0.740
  187    HA   CYS  28           HA       CYS  28  -9.511   2.894  -0.864
  188    HB2  CYS  28           1HB      CYS  28  -8.716   0.846   0.593
  189    HB3  CYS  28           2HB      CYS  28  -9.634   1.657   1.857
  190    H    GLN  29           H        GLN  29 -11.086   4.344  -0.669
  191    HA   GLN  29           HA       GLN  29 -10.974   6.316   1.422
  192    HB2  GLN  29           1HB      GLN  29 -12.881   5.919  -0.887
  193    HB3  GLN  29           2HB      GLN  29 -12.968   7.272   0.233
  194    HG2  GLN  29           1HG      GLN  29 -10.426   7.527  -0.491
  195    HG3  GLN  29           2HG      GLN  29 -11.034   6.721  -1.936
  196   HE21  GLN  29          1HE2      GLN  29 -10.484   9.645  -0.552
  197   HE22  GLN  29          2HE2      GLN  29 -11.584  10.613  -1.468
  198    H    GLU  30           H        GLU  30 -13.557   4.127   0.288
  199    HA   GLU  30           HA       GLU  30 -15.463   4.488   2.157
  200    HB2  GLU  30           1HB      GLU  30 -14.476   1.897   0.974
  201    HB3  GLU  30           2HB      GLU  30 -15.905   1.982   1.994
  202    HG2  GLU  30           1HG      GLU  30 -15.594   3.641  -0.487
  203    HG3  GLU  30           2HG      GLU  30 -16.283   2.018  -0.503
  204    H    ASP  31           H        ASP  31 -12.473   2.674   2.615
  205    HA   ASP  31           HA       ASP  31 -13.160   2.285   5.444
  206    HB2  ASP  31           1HB      ASP  31 -11.047   0.973   3.723
  207    HB3  ASP  31           2HB      ASP  31 -11.251   0.674   5.447
  208    H    GLY  32           H        GLY  32 -11.056   3.993   3.307
  209    HA2  GLY  32           1HA      GLY  32  -9.563   5.694   3.723
  210    HA3  GLY  32           2HA      GLY  32 -10.104   5.674   5.395
  211    H    LYS  33           H        LYS  33  -8.790   2.857   3.790
  212    HA   LYS  33           HA       LYS  33  -6.291   3.177   5.310
  213    HB2  LYS  33           1HB      LYS  33  -6.378   0.658   5.655
  214    HB3  LYS  33           2HB      LYS  33  -7.502   1.618   6.609
  215    HG2  LYS  33           1HG      LYS  33  -8.943   0.027   5.915
  216    HG3  LYS  33           2HG      LYS  33  -9.077   1.103   4.522
  217    HD2  LYS  33           1HD      LYS  33  -8.717  -0.919   3.484
  218    HD3  LYS  33           2HD      LYS  33  -7.065  -0.313   3.620
  219    HE2  LYS  33           1HE      LYS  33  -8.141  -1.931   5.866
  220    HE3  LYS  33           2HE      LYS  33  -7.743  -2.771   4.368
  221    HZ1  LYS  33           3HZ      LYS  33  -5.786  -2.850   5.574
  222    HZ2  LYS  33           1HZ      LYS  33  -5.955  -1.279   6.179
  223    HZ3  LYS  33           2HZ      LYS  33  -5.529  -1.520   4.560
  224    H    VAL  34           H        VAL  34  -4.457   2.099   4.433
  225    HA   VAL  34           HA       VAL  34  -4.444   2.056   1.562
  226    HB   VAL  34           HB       VAL  34  -2.015   1.249   1.976
  227   HG11  VAL  34          1HG1      VAL  34  -1.409   3.637   2.741
  228   HG12  VAL  34          2HG1      VAL  34  -2.280   3.433   1.220
  229   HG13  VAL  34          3HG1      VAL  34  -3.145   3.935   2.673
  230   HG21  VAL  34          3HG2      VAL  34  -2.543   2.345   4.723
  231   HG22  VAL  34          1HG2      VAL  34  -2.600   0.617   4.375
  232   HG23  VAL  34          2HG2      VAL  34  -1.105   1.518   4.126
  233    H    ILE  35           H        ILE  35  -4.493   0.350   0.222
  234    HA   ILE  35           HA       ILE  35  -4.223  -2.345   1.362
  235    HB   ILE  35           HB       ILE  35  -6.115  -3.175   0.154
  236   HG12  ILE  35          1HG1      ILE  35  -6.719  -0.393  -0.835
  237   HG13  ILE  35          2HG1      ILE  35  -5.754  -1.524  -1.778
  238   HG21  ILE  35          1HG2      ILE  35  -7.940  -1.994   1.250
  239   HG22  ILE  35          2HG2      ILE  35  -6.563  -2.167   2.338
  240   HG23  ILE  35          3HG2      ILE  35  -6.880  -0.618   1.557
  241   HD11  ILE  35          3HD1      ILE  35  -8.555  -2.058  -0.824
  242   HD12  ILE  35          1HD1      ILE  35  -8.133  -1.460  -2.428
  243   HD13  ILE  35          2HD1      ILE  35  -7.592  -3.058  -1.911
  244    H    CYS  36           H        CYS  36  -3.692  -3.999  -0.195
  245    HA   CYS  36           HA       CYS  36  -2.068  -2.928  -2.380
  246    HB2  CYS  36           1HB      CYS  36  -1.102  -5.234  -2.445
  247    HB3  CYS  36           2HB      CYS  36  -0.890  -4.417  -0.900
  248    H    TRP  37           H        TRP  37  -1.919  -4.678  -4.267
  249    HA   TRP  37           HA       TRP  37  -4.237  -4.473  -5.760
  250    HB2  TRP  37           1HB      TRP  37  -2.490  -6.833  -6.259
  251    HB3  TRP  37           2HB      TRP  37  -3.129  -5.646  -7.392
  252    HD1  TRP  37           HD       TRP  37   0.057  -6.705  -6.282
  253    HE1  TRP  37           1HE      TRP  37   1.816  -4.826  -6.333
  254    HE3  TRP  37           3HE      TRP  37  -3.069  -2.673  -6.608
  255    HZ2  TRP  37           2HZ      TRP  37   1.871  -2.008  -6.489
  256    HZ3  TRP  37           3HZ      TRP  37  -2.083  -0.421  -6.703
  257    HH2  TRP  37           HH       TRP  37   0.336  -0.097  -6.644
  258    H    LEU  38           H        LEU  38  -3.007  -7.486  -4.289
  259    HA   LEU  38           HA       LEU  38  -5.120  -9.142  -4.777
  260    HB2  LEU  38           1HB      LEU  38  -3.616  -9.045  -2.168
  261    HB3  LEU  38           2HB      LEU  38  -4.454 -10.434  -2.856
  262    HG   LEU  38           HG       LEU  38  -1.831  -9.226  -3.641
  263   HD11  LEU  38          1HD1      LEU  38  -2.529 -12.127  -3.497
  264   HD12  LEU  38          2HD1      LEU  38  -2.235 -11.212  -2.019
  265   HD13  LEU  38          3HD1      LEU  38  -0.975 -11.332  -3.247
  266   HD21  LEU  38          3HD2      LEU  38  -3.291  -9.389  -5.670
  267   HD22  LEU  38          1HD2      LEU  38  -3.398 -11.125  -5.375
  268   HD23  LEU  38          2HD2      LEU  38  -1.835 -10.385  -5.723
  269    H    CYS  39           H        CYS  39  -4.812  -6.832  -2.107
  270    HA   CYS  39           HA       CYS  39  -7.166  -7.496  -0.747
  271    HB2  CYS  39           1HB      CYS  39  -5.420  -5.078  -0.884
  272    HB3  CYS  39           2HB      CYS  39  -6.999  -4.922  -0.121
  273    H    GLU  40           H        GLU  40  -6.615  -4.902  -3.132
  274    HA   GLU  40           HA       GLU  40  -9.234  -3.973  -3.274
  275    HB2  GLU  40           1HB      GLU  40  -7.464  -2.701  -4.270
  276    HB3  GLU  40           2HB      GLU  40  -7.049  -4.021  -5.355
  277    HG2  GLU  40           1HG      GLU  40  -8.814  -3.615  -6.754
  278    HG3  GLU  40           2HG      GLU  40  -9.785  -2.863  -5.489
  279    H    ARG  41           H        ARG  41  -7.641  -6.551  -5.106
  280    HA   ARG  41           HA       ARG  41  -9.897  -7.110  -6.755
  281    HB2  ARG  41           1HB      ARG  41  -7.412  -8.699  -6.110
  282    HB3  ARG  41           2HB      ARG  41  -8.633  -9.237  -7.255
  283    HG2  ARG  41           1HG      ARG  41  -8.228  -6.966  -8.409
  284    HG3  ARG  41           2HG      ARG  41  -6.737  -6.937  -7.466
  285    HD2  ARG  41           1HD      ARG  41  -7.580  -9.130  -9.357
  286    HD3  ARG  41           2HD      ARG  41  -6.392  -7.875  -9.707
  287    HE   ARG  41           HE       ARG  41  -5.937  -9.657  -7.429
  288   HH11  ARG  41          2HH1      ARG  41  -5.079  -8.581 -10.627
  289   HH12  ARG  41          1HH1      ARG  41  -3.540  -9.377 -10.624
  290   HH21  ARG  41          2HH2      ARG  41  -3.913 -10.710  -7.413
  291   HH22  ARG  41          1HH2      ARG  41  -2.879 -10.589  -8.795
  292    H    SER  42           H        SER  42  -9.442  -7.552  -3.521
  293    HA   SER  42           HA       SER  42 -10.825 -10.108  -3.333
  294    HB2  SER  42           1HB      SER  42  -8.928  -9.572  -1.804
  295    HB3  SER  42           2HB      SER  42  -9.899  -8.275  -1.108
  296    HG   SER  42           HG       SER  42 -10.761 -10.971  -1.195
  297    H    GLN  43           H        GLN  43 -12.927 -10.358  -2.852
  298    HA   GLN  43           HA       GLN  43 -14.809  -8.411  -3.264
  299    HB2  GLN  43           1HB      GLN  43 -15.300 -10.826  -3.160
  300    HB3  GLN  43           2HB      GLN  43 -15.084 -10.787  -1.416
  301    HG2  GLN  43           1HG      GLN  43 -17.099  -9.020  -2.739
  302    HG3  GLN  43           2HG      GLN  43 -17.465 -10.710  -2.394
  303   HE21  GLN  43          1HE2      GLN  43 -16.400 -11.184  -0.014
  304   HE22  GLN  43          2HE2      GLN  43 -17.069 -10.150   1.198
  305    H    GLU  44           H        GLU  44 -12.807  -8.812  -0.527
  306    HA   GLU  44           HA       GLU  44 -14.444  -7.623   1.450
  307    HB2  GLU  44           1HB      GLU  44 -12.651  -7.843   2.831
  308    HB3  GLU  44           2HB      GLU  44 -12.097  -8.907   1.546
  309    HG2  GLU  44           1HG      GLU  44 -10.682  -7.225   0.649
  310    HG3  GLU  44           2HG      GLU  44 -11.382  -5.993   1.697
  311    H    HIS  45           H        HIS  45 -12.034  -6.300  -0.783
  312    HA   HIS  45           HA       HIS  45 -12.977  -3.598  -0.075
  313    HB2  HIS  45           1HB      HIS  45 -10.245  -4.584  -0.867
  314    HB3  HIS  45           2HB      HIS  45 -10.690  -2.888  -1.028
  315    HD2  HIS  45           2HD      HIS  45  -9.252  -5.220   1.570
  316    HE1  HIS  45           1HE      HIS  45 -10.708  -1.848   3.695
  317    HE2  HIS  45           2HE      HIS  45  -9.239  -3.892   3.790
  318    H    ARG  46           H        ARG  46 -13.788  -5.681  -2.179
  319    HA   ARG  46           HA       ARG  46 -13.092  -4.580  -4.709
  320    HB2  ARG  46           1HB      ARG  46 -14.583  -6.149  -5.643
  321    HB3  ARG  46           2HB      ARG  46 -13.919  -6.942  -4.221
  322    HG2  ARG  46           1HG      ARG  46 -15.900  -6.766  -3.036
  323    HG3  ARG  46           2HG      ARG  46 -16.504  -5.454  -4.049
  324    HD2  ARG  46           1HD      ARG  46 -16.445  -7.222  -5.942
  325    HD3  ARG  46           2HD      ARG  46 -16.388  -8.390  -4.622
  326    HE   ARG  46           HE       ARG  46 -18.612  -8.029  -4.307
  327   HH11  ARG  46          2HH1      ARG  46 -17.269  -5.254  -5.923
  328   HH12  ARG  46          1HH1      ARG  46 -18.797  -4.459  -6.109
  329   HH21  ARG  46          2HH2      ARG  46 -20.630  -6.993  -4.546
  330   HH22  ARG  46          1HH2      ARG  46 -20.708  -5.449  -5.325
  331    H    GLY  47           H        GLY  47 -14.217  -3.203  -6.047
  332    HA2  GLY  47           1HA      GLY  47 -15.875  -1.718  -6.707
  333    HA3  GLY  47           2HA      GLY  47 -16.818  -2.193  -5.302
  334    H    HIS  48           H        HIS  48 -14.443  -1.649  -3.545
  335    HA   HIS  48           HA       HIS  48 -15.121   0.982  -2.807
  336    HB2  HIS  48           1HB      HIS  48 -12.603  -0.523  -2.072
  337    HB3  HIS  48           2HB      HIS  48 -13.323   0.822  -1.192
  338    HD2  HIS  48           2HD      HIS  48 -16.199  -1.371  -2.033
  339    HE1  HIS  48           1HE      HIS  48 -14.711  -2.894   1.636
  340    HE2  HIS  48           2HE      HIS  48 -16.588  -2.973  -0.040
  341    H    HIS  49           H        HIS  49 -14.219   2.936  -3.228
  342    HA   HIS  49           HA       HIS  49 -12.559   3.156  -5.559
  343    HB2  HIS  49           1HB      HIS  49 -13.942   5.074  -3.733
  344    HB3  HIS  49           2HB      HIS  49 -12.652   5.678  -4.769
  345    HD1  HIS  49           1HD      HIS  49 -15.799   6.311  -4.975
  346    HD2  HIS  49           2HD      HIS  49 -13.589   3.766  -7.403
  347    HE1  HIS  49           1HE      HIS  49 -17.084   6.156  -7.131
  348    HE2  HIS  49           2HE      HIS  49 -15.771   4.544  -8.553
  349    H    THR  50           H        THR  50 -10.418   3.155  -5.606
  350    HA   THR  50           HA       THR  50  -8.958   3.813  -3.130
  351    HB   THR  50           HB       THR  50  -7.129   2.372  -3.976
  352    HG1  THR  50           1HG      THR  50  -7.219   1.702  -5.973
  353   HG21  THR  50          3HG2      THR  50  -9.014   1.547  -2.479
  354   HG22  THR  50          1HG2      THR  50  -8.105   0.313  -3.351
  355   HG23  THR  50          2HG2      THR  50  -9.699   0.805  -3.924
  356    H    PHE  51           H        PHE  51  -6.843   4.801  -3.405
  357    HA   PHE  51           HA       PHE  51  -6.456   6.195  -5.954
  358    HB2  PHE  51           1HB      PHE  51  -6.573   7.509  -3.234
  359    HB3  PHE  51           2HB      PHE  51  -5.936   8.296  -4.674
  360    HD1  PHE  51           1HD      PHE  51  -8.958   6.976  -3.059
  361    HD2  PHE  51           2HD      PHE  51  -7.385   9.132  -6.375
  362    HE1  PHE  51           1HE      PHE  51 -11.229   7.710  -3.654
  363    HE2  PHE  51           2HE      PHE  51  -9.654   9.871  -6.975
  364    HZ   PHE  51           HZ       PHE  51 -11.580   9.160  -5.614
  365    HA   PRO  52           HA       PRO  52  -2.244   5.070  -5.374
  366    HB2  PRO  52           1HB      PRO  52  -1.058   6.943  -6.941
  367    HB3  PRO  52           2HB      PRO  52  -1.957   5.571  -7.598
  368    HG2  PRO  52           1HG      PRO  52  -2.842   8.404  -7.210
  369    HG3  PRO  52           2HG      PRO  52  -3.113   7.326  -8.592
  370    HD2  PRO  52           1HD      PRO  52  -5.006   7.787  -6.711
  371    HD3  PRO  52           2HD      PRO  52  -4.861   6.234  -7.558
  372    H    THR  53           H        THR  53  -1.596   5.460  -3.307
  373    HA   THR  53           HA       THR  53  -1.497   7.935  -2.019
  374    HB   THR  53           HB       THR  53  -0.469   6.872  -0.257
  375    HG1  THR  53           1HG      THR  53   1.359   5.840  -0.527
  376   HG21  THR  53          3HG2      THR  53  -2.468   5.540  -1.236
  377   HG22  THR  53          1HG2      THR  53  -1.469   4.788   0.007
  378   HG23  THR  53          2HG2      THR  53  -1.244   4.354  -1.687
  379    H    SER  54           H        SER  54   1.182   6.102  -3.501
  380    HA   SER  54           HA       SER  54   2.661   8.642  -3.725
  381    HB2  SER  54           1HB      SER  54   3.628   5.842  -3.177
  382    HB3  SER  54           2HB      SER  54   4.713   7.084  -3.801
  383    HG   SER  54           HG       SER  54   3.552   6.827  -1.295
  384    H    GLY  55           H        GLY  55   1.294   5.987  -5.381
  385    HA2  GLY  55           1HA      GLY  55   2.676   5.447  -7.595
  386    HA3  GLY  55           2HA      GLY  55   0.958   5.809  -7.679
  387    HA   PRO  56           HA       PRO  56   3.842   9.243  -9.529
  388    HB2  PRO  56           1HB      PRO  56   4.672   8.190 -11.890
  389    HB3  PRO  56           2HB      PRO  56   5.615   8.069 -10.399
  390    HG2  PRO  56           1HG      PRO  56   3.816   6.043 -11.674
  391    HG3  PRO  56           2HG      PRO  56   5.413   5.815 -10.936
  392    HD2  PRO  56           1HD      PRO  56   3.111   5.212  -9.644
  393    HD3  PRO  56           2HD      PRO  56   4.559   5.791  -8.795
  394    H    SER  57           H        SER  57   2.927  10.716 -10.885
  395    HA   SER  57           HA       SER  57   0.300  10.450 -11.715
  396    HB2  SER  57           1HB      SER  57   2.497  12.338 -12.527
  397    HB3  SER  57           2HB      SER  57   0.898  12.441 -13.263
  398    HG   SER  57           HG       SER  57   0.239  13.407 -11.530
  399    H    SER  58           H        SER  58  -0.509   9.096 -13.164
  400    HA   SER  58           HA       SER  58   1.031   8.585 -15.624
  401    HB2  SER  58           1HB      SER  58  -0.979   6.736 -14.320
  402    HB3  SER  58           2HB      SER  58   0.025   6.378 -15.724
  403    HG   SER  58           HG       SER  58   1.614   5.910 -14.437
  404    H    GLY  59           H        GLY  59  -0.470   7.804 -17.456
  405    HA2  GLY  59           1HA      GLY  59  -2.606   9.798 -17.684
  406    HA3  GLY  59           2HA      GLY  59  -1.850   8.936 -19.016
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  13.918 -15.719 -14.813
    2    HA2  GLY   1           1HA      GLY   1  13.329 -17.331 -12.575
    3    HA3  GLY   1           2HA      GLY   1  15.049 -16.969 -12.580
    4    H    SER   2           H        SER   2  13.858 -16.082 -10.445
    5    HA   SER   2           HA       SER   2  13.907 -13.202 -10.772
    6    HB2  SER   2           1HB      SER   2  11.769 -12.783  -9.739
    7    HB3  SER   2           2HB      SER   2  11.509 -13.865 -11.108
    8    HG   SER   2           HG       SER   2  10.387 -14.710  -9.401
    9    H    SER   3           H        SER   3  13.802 -12.091  -8.613
   10    HA   SER   3           HA       SER   3  15.775 -12.878  -6.923
   11    HB2  SER   3           1HB      SER   3  14.672 -10.665  -6.840
   12    HB3  SER   3           2HB      SER   3  13.266 -11.407  -6.077
   13    HG   SER   3           HG       SER   3  14.657 -10.502  -4.524
   14    H    GLY   4           H        GLY   4  12.320 -13.636  -6.555
   15    HA2  GLY   4           1HA      GLY   4  11.574 -15.768  -5.779
   16    HA3  GLY   4           2HA      GLY   4  13.096 -15.951  -4.919
   17    H    SER   5           H        SER   5  12.305 -16.333  -2.900
   18    HA   SER   5           HA       SER   5  10.177 -14.865  -1.728
   19    HB2  SER   5           1HB      SER   5  12.313 -16.627  -0.511
   20    HB3  SER   5           2HB      SER   5  10.977 -15.935   0.409
   21    HG   SER   5           HG       SER   5  10.764 -18.160  -0.561
   22    H    SER   6           H        SER   6  10.210 -13.246  -0.172
   23    HA   SER   6           HA       SER   6  12.373 -11.380  -0.406
   24    HB2  SER   6           1HB      SER   6  10.057 -10.597  -0.236
   25    HB3  SER   6           2HB      SER   6   9.916 -11.324   1.364
   26    HG   SER   6           HG       SER   6  10.899  -8.924   0.689
   27    H    GLY   7           H        GLY   7  13.608 -10.507   1.353
   28    HA2  GLY   7           1HA      GLY   7  13.805 -12.245   3.720
   29    HA3  GLY   7           2HA      GLY   7  15.246 -11.921   2.767
   30    H    SER   8           H        SER   8  15.300 -11.294   5.390
   31    HA   SER   8           HA       SER   8  14.436  -8.681   6.026
   32    HB2  SER   8           1HB      SER   8  15.425 -10.712   7.492
   33    HB3  SER   8           2HB      SER   8  16.876  -9.718   7.361
   34    HG   SER   8           HG       SER   8  15.808  -8.043   8.337
   35    HA   PRO   9           HA       PRO   9  18.985  -7.394   4.944
   36    HB2  PRO   9           1HB      PRO   9  20.402  -9.139   3.421
   37    HB3  PRO   9           2HB      PRO   9  20.416  -9.174   5.189
   38    HG2  PRO   9           1HG      PRO   9  18.854 -10.863   3.273
   39    HG3  PRO   9           2HG      PRO   9  19.716 -11.347   4.745
   40    HD2  PRO   9           1HD      PRO   9  17.033 -10.988   4.679
   41    HD3  PRO   9           2HD      PRO   9  18.005 -10.652   6.125
   42    H    GLU  10           H        GLU  10  17.047  -9.238   2.680
   43    HA   GLU  10           HA       GLU  10  17.542  -7.161   0.650
   44    HB2  GLU  10           1HB      GLU  10  17.387  -8.808  -1.100
   45    HB3  GLU  10           2HB      GLU  10  18.607  -9.329   0.054
   46    HG2  GLU  10           1HG      GLU  10  16.810 -10.763   1.104
   47    HG3  GLU  10           2HG      GLU  10  15.829 -10.401  -0.315
   48    H    GLY  11           H        GLY  11  15.778  -6.062   0.121
   49    HA2  GLY  11           1HA      GLY  11  13.479  -6.347  -0.834
   50    HA3  GLY  11           2HA      GLY  11  13.155  -7.347   0.575
   51    H    GLN  12           H        GLN  12  13.503  -4.116  -0.636
   52    HA   GLN  12           HA       GLN  12  13.525  -2.674   1.755
   53    HB2  GLN  12           1HB      GLN  12  12.711  -2.098  -1.049
   54    HB3  GLN  12           2HB      GLN  12  12.183  -0.975   0.197
   55    HG2  GLN  12           1HG      GLN  12  15.049  -1.792  -0.195
   56    HG3  GLN  12           2HG      GLN  12  14.320  -0.377  -0.952
   57   HE21  GLN  12          1HE2      GLN  12  16.284   0.410   0.385
   58   HE22  GLN  12          2HE2      GLN  12  15.905   0.997   1.965
   59    H    LYS  13           H        LYS  13  12.146  -3.206   3.352
   60    HA   LYS  13           HA       LYS  13   9.394  -3.868   2.851
   61    HB2  LYS  13           1HB      LYS  13   9.230  -3.959   5.330
   62    HB3  LYS  13           2HB      LYS  13  10.525  -4.958   4.682
   63    HG2  LYS  13           1HG      LYS  13  12.118  -3.120   5.225
   64    HG3  LYS  13           2HG      LYS  13  10.790  -2.279   6.028
   65    HD2  LYS  13           1HD      LYS  13  10.611  -3.915   7.694
   66    HD3  LYS  13           2HD      LYS  13  11.518  -5.100   6.752
   67    HE2  LYS  13           1HE      LYS  13  13.124  -4.458   8.250
   68    HE3  LYS  13           2HE      LYS  13  13.430  -3.302   6.955
   69    HZ1  LYS  13           3HZ      LYS  13  11.734  -1.873   8.292
   70    HZ2  LYS  13           1HZ      LYS  13  13.355  -1.937   8.770
   71    HZ3  LYS  13           2HZ      LYS  13  12.197  -2.864   9.582
   72    H    VAL  14           H        VAL  14   8.053  -2.298   2.222
   73    HA   VAL  14           HA       VAL  14   7.882   0.111   3.885
   74    HB   VAL  14           HB       VAL  14   9.083   0.983   2.064
   75   HG11  VAL  14          1HG1      VAL  14   8.839   0.417  -0.185
   76   HG12  VAL  14          2HG1      VAL  14   8.611  -1.118   0.656
   77   HG13  VAL  14          3HG1      VAL  14   7.214  -0.224   0.055
   78   HG21  VAL  14          3HG2      VAL  14   7.445   2.413   0.874
   79   HG22  VAL  14          1HG2      VAL  14   6.146   1.429   1.547
   80   HG23  VAL  14          2HG2      VAL  14   7.187   2.366   2.618
   81    H    ASP  15           H        ASP  15   5.954  -0.303   4.815
   82    HA   ASP  15           HA       ASP  15   3.724  -0.701   5.064
   83    HB2  ASP  15           1HB      ASP  15   3.767   0.732   2.407
   84    HB3  ASP  15           2HB      ASP  15   2.274   0.320   3.247
   85    H    HIS  16           H        HIS  16   5.005  -2.961   4.320
   86    HA   HIS  16           HA       HIS  16   3.756  -4.169   2.023
   87    HB2  HIS  16           1HB      HIS  16   5.729  -5.034   4.087
   88    HB3  HIS  16           2HB      HIS  16   4.858  -6.279   3.197
   89    HD1  HIS  16           1HD      HIS  16   6.433  -3.023   2.000
   90    HD2  HIS  16           2HD      HIS  16   6.564  -7.113   1.278
   91    HE1  HIS  16           1HE      HIS  16   8.013  -3.314   0.065
   92    HE2  HIS  16           2HE      HIS  16   8.010  -5.788  -0.409
   93    H    CYS  17           H        CYS  17   1.872  -5.199   1.974
   94    HA   CYS  17           HA       CYS  17   0.113  -5.277   4.145
   95    HB2  CYS  17           1HB      CYS  17  -0.472  -5.402   1.682
   96    HB3  CYS  17           2HB      CYS  17  -0.020  -7.103   1.743
   97    H    ALA  18           H        ALA  18   0.160  -6.495   5.902
   98    HA   ALA  18           HA       ALA  18   1.882  -8.729   6.200
   99    HB1  ALA  18           3HB      ALA  18   1.301  -8.705   8.406
  100    HB2  ALA  18           1HB      ALA  18   0.832  -7.064   7.960
  101    HB3  ALA  18           2HB      ALA  18  -0.390  -8.330   8.073
  102    H    ARG  19           H        ARG  19  -0.946  -8.497   4.543
  103    HA   ARG  19           HA       ARG  19  -1.897 -11.178   5.234
  104    HB2  ARG  19           1HB      ARG  19  -3.621  -9.491   5.119
  105    HB3  ARG  19           2HB      ARG  19  -3.092  -9.001   3.515
  106    HG2  ARG  19           1HG      ARG  19  -3.911 -10.964   2.524
  107    HG3  ARG  19           2HG      ARG  19  -4.083 -11.774   4.082
  108    HD2  ARG  19           1HD      ARG  19  -5.937 -10.439   4.680
  109    HD3  ARG  19           2HD      ARG  19  -5.633  -9.298   3.371
  110    HE   ARG  19           HE       ARG  19  -6.180 -11.959   2.451
  111   HH11  ARG  19          2HH1      ARG  19  -7.602  -8.954   3.484
  112   HH12  ARG  19          1HH1      ARG  19  -9.083  -9.208   2.621
  113   HH21  ARG  19          2HH2      ARG  19  -8.125 -12.305   1.311
  114   HH22  ARG  19          1HH2      ARG  19  -9.380 -11.115   1.387
  115    H    HIS  20           H        HIS  20  -0.894  -9.285   2.397
  116    HA   HIS  20           HA       HIS  20  -0.403 -11.823   0.982
  117    HB2  HIS  20           1HB      HIS  20  -0.804  -9.115  -0.295
  118    HB3  HIS  20           2HB      HIS  20  -0.779 -10.685  -1.094
  119    HD2  HIS  20           2HD      HIS  20  -3.161 -12.154  -0.918
  120    HE1  HIS  20           1HE      HIS  20  -5.408  -9.060   0.918
  121    HE2  HIS  20           2HE      HIS  20  -5.487 -11.353  -0.120
  122    H    GLY  21           H        GLY  21   0.920  -8.716   1.906
  123    HA2  GLY  21           1HA      GLY  21   3.267  -8.504   2.365
  124    HA3  GLY  21           2HA      GLY  21   3.579  -9.701   1.117
  125    H    GLU  22           H        GLU  22   1.405  -8.069  -0.443
  126    HA   GLU  22           HA       GLU  22   3.221  -6.665  -2.075
  127    HB2  GLU  22           1HB      GLU  22   0.270  -6.940  -1.913
  128    HB3  GLU  22           2HB      GLU  22   0.887  -5.546  -2.788
  129    HG2  GLU  22           1HG      GLU  22   0.410  -7.860  -3.972
  130    HG3  GLU  22           2HG      GLU  22   1.720  -6.795  -4.480
  131    H    LYS  23           H        LYS  23   3.643  -4.484  -2.317
  132    HA   LYS  23           HA       LYS  23   3.611  -2.924   0.054
  133    HB2  LYS  23           1HB      LYS  23   4.184  -2.030  -2.777
  134    HB3  LYS  23           2HB      LYS  23   4.630  -1.176  -1.306
  135    HG2  LYS  23           1HG      LYS  23   6.342  -2.612  -0.823
  136    HG3  LYS  23           2HG      LYS  23   5.596  -3.964  -1.679
  137    HD2  LYS  23           1HD      LYS  23   7.350  -3.400  -3.081
  138    HD3  LYS  23           2HD      LYS  23   6.002  -2.513  -3.795
  139    HE2  LYS  23           1HE      LYS  23   6.713  -0.476  -2.731
  140    HE3  LYS  23           2HE      LYS  23   7.964  -1.334  -1.832
  141    HZ1  LYS  23           3HZ      LYS  23   8.994  -1.895  -3.993
  142    HZ2  LYS  23           1HZ      LYS  23   8.961  -0.232  -3.683
  143    HZ3  LYS  23           2HZ      LYS  23   7.856  -0.912  -4.768
  144    H    LEU  24           H        LEU  24   2.006  -1.748   0.848
  145    HA   LEU  24           HA       LEU  24  -0.415  -1.321  -0.594
  146    HB2  LEU  24           1HB      LEU  24   0.449  -0.025   1.984
  147    HB3  LEU  24           2HB      LEU  24  -1.197  -0.202   1.381
  148    HG   LEU  24           HG       LEU  24   0.441  -2.637   1.952
  149   HD11  LEU  24          1HD1      LEU  24   0.751  -1.607   4.005
  150   HD12  LEU  24          2HD1      LEU  24  -0.729  -2.533   4.252
  151   HD13  LEU  24          3HD1      LEU  24  -0.816  -0.797   3.950
  152   HD21  LEU  24          3HD2      LEU  24  -2.421  -2.424   2.620
  153   HD22  LEU  24          1HD2      LEU  24  -1.527  -3.729   1.839
  154   HD23  LEU  24          2HD2      LEU  24  -2.021  -2.316   0.905
  155    H    LEU  25           H        LEU  25  -0.304   0.018  -2.309
  156    HA   LEU  25           HA       LEU  25   0.780   2.719  -1.851
  157    HB2  LEU  25           1HB      LEU  25   0.559   1.284  -4.490
  158    HB3  LEU  25           2HB      LEU  25   1.318   2.847  -4.193
  159    HG   LEU  25           HG       LEU  25   2.324   0.237  -3.067
  160   HD11  LEU  25          1HD1      LEU  25   2.345   0.686  -5.666
  161   HD12  LEU  25          2HD1      LEU  25   3.732  -0.024  -4.842
  162   HD13  LEU  25          3HD1      LEU  25   3.730   1.693  -5.242
  163   HD21  LEU  25          3HD2      LEU  25   3.218   3.077  -2.954
  164   HD22  LEU  25          1HD2      LEU  25   4.433   1.798  -2.980
  165   HD23  LEU  25          2HD2      LEU  25   3.224   1.839  -1.696
  166    H    LEU  26           H        LEU  26  -2.005   0.978  -2.256
  167    HA   LEU  26           HA       LEU  26  -3.418   3.182  -3.591
  168    HB2  LEU  26           1HB      LEU  26  -4.183   0.309  -3.118
  169    HB3  LEU  26           2HB      LEU  26  -5.292   1.519  -3.760
  170    HG   LEU  26           HG       LEU  26  -4.604   0.524  -5.697
  171   HD11  LEU  26          1HD1      LEU  26  -3.941   2.980  -5.597
  172   HD12  LEU  26          2HD1      LEU  26  -3.201   1.999  -6.861
  173   HD13  LEU  26          3HD1      LEU  26  -2.283   2.408  -5.412
  174   HD21  LEU  26          3HD2      LEU  26  -2.374  -0.330  -4.069
  175   HD22  LEU  26          1HD2      LEU  26  -1.849   0.160  -5.680
  176   HD23  LEU  26          2HD2      LEU  26  -3.084  -1.086  -5.496
  177    H    PHE  27           H        PHE  27  -4.613   4.517  -2.415
  178    HA   PHE  27           HA       PHE  27  -5.158   3.845   0.374
  179    HB2  PHE  27           1HB      PHE  27  -4.102   6.038  -0.254
  180    HB3  PHE  27           2HB      PHE  27  -5.616   6.477  -1.038
  181    HD1  PHE  27           1HD      PHE  27  -7.714   6.570   0.379
  182    HD2  PHE  27           2HD      PHE  27  -3.797   6.367   2.033
  183    HE1  PHE  27           1HE      PHE  27  -8.578   7.419   2.521
  184    HE2  PHE  27           2HE      PHE  27  -4.654   7.215   4.177
  185    HZ   PHE  27           HZ       PHE  27  -7.048   7.741   4.424
  186    H    CYS  28           H        CYS  28  -7.025   2.905   0.837
  187    HA   CYS  28           HA       CYS  28  -9.259   2.967  -0.956
  188    HB2  CYS  28           1HB      CYS  28  -8.490   1.103   0.727
  189    HB3  CYS  28           2HB      CYS  28  -9.476   2.006   1.872
  190    H    GLN  29           H        GLN  29 -11.139   4.093  -0.811
  191    HA   GLN  29           HA       GLN  29 -11.154   6.359   1.018
  192    HB2  GLN  29           1HB      GLN  29 -13.006   7.192  -0.371
  193    HB3  GLN  29           2HB      GLN  29 -11.586   6.809  -1.335
  194    HG2  GLN  29           1HG      GLN  29 -13.160   5.848  -2.640
  195    HG3  GLN  29           2HG      GLN  29 -12.838   4.486  -1.568
  196   HE21  GLN  29          1HE2      GLN  29 -14.842   3.570  -1.769
  197   HE22  GLN  29          2HE2      GLN  29 -16.279   4.287  -1.132
  198    H    GLU  30           H        GLU  30 -13.124   3.543   0.196
  199    HA   GLU  30           HA       GLU  30 -15.324   4.074   1.830
  200    HB2  GLU  30           1HB      GLU  30 -14.809   2.149   0.080
  201    HB3  GLU  30           2HB      GLU  30 -14.370   1.264   1.534
  202    HG2  GLU  30           1HG      GLU  30 -16.717   2.188   2.348
  203    HG3  GLU  30           2HG      GLU  30 -17.019   2.207   0.611
  204    H    ASP  31           H        ASP  31 -12.264   2.459   2.557
  205    HA   ASP  31           HA       ASP  31 -13.052   2.252   5.375
  206    HB2  ASP  31           1HB      ASP  31 -10.735   1.013   3.876
  207    HB3  ASP  31           2HB      ASP  31 -11.048   0.796   5.596
  208    H    GLY  32           H        GLY  32 -10.672   3.703   3.234
  209    HA2  GLY  32           1HA      GLY  32  -9.541   5.717   3.628
  210    HA3  GLY  32           2HA      GLY  32 -10.007   5.621   5.320
  211    H    LYS  33           H        LYS  33  -8.629   2.813   3.877
  212    HA   LYS  33           HA       LYS  33  -6.054   3.407   5.181
  213    HB2  LYS  33           1HB      LYS  33  -5.877   1.052   5.796
  214    HB3  LYS  33           2HB      LYS  33  -7.338   1.759   6.474
  215    HG2  LYS  33           1HG      LYS  33  -8.716   0.496   5.189
  216    HG3  LYS  33           2HG      LYS  33  -7.575   0.417   3.844
  217    HD2  LYS  33           1HD      LYS  33  -6.915  -0.959   6.411
  218    HD3  LYS  33           2HD      LYS  33  -8.064  -1.706   5.298
  219    HE2  LYS  33           1HE      LYS  33  -6.448  -1.799   3.561
  220    HE3  LYS  33           2HE      LYS  33  -5.334  -0.763   4.452
  221    HZ1  LYS  33           3HZ      LYS  33  -4.608  -2.470   5.701
  222    HZ2  LYS  33           1HZ      LYS  33  -5.157  -3.412   4.408
  223    HZ3  LYS  33           2HZ      LYS  33  -6.121  -3.220   5.784
  224    H    VAL  34           H        VAL  34  -4.182   2.450   4.240
  225    HA   VAL  34           HA       VAL  34  -4.285   2.368   1.374
  226    HB   VAL  34           HB       VAL  34  -1.783   1.646   1.773
  227   HG11  VAL  34          1HG1      VAL  34  -2.447   4.421   2.658
  228   HG12  VAL  34          2HG1      VAL  34  -1.184   3.865   1.558
  229   HG13  VAL  34          3HG1      VAL  34  -2.866   3.894   1.028
  230   HG21  VAL  34          3HG2      VAL  34  -2.342   3.004   4.396
  231   HG22  VAL  34          1HG2      VAL  34  -2.300   1.248   4.234
  232   HG23  VAL  34          2HG2      VAL  34  -0.863   2.202   3.867
  233    H    ILE  35           H        ILE  35  -5.103   0.619   0.408
  234    HA   ILE  35           HA       ILE  35  -4.477  -2.036   1.486
  235    HB   ILE  35           HB       ILE  35  -6.295  -2.899   0.207
  236   HG12  ILE  35          1HG1      ILE  35  -6.590  -0.154  -1.030
  237   HG13  ILE  35          2HG1      ILE  35  -5.867  -1.543  -1.835
  238   HG21  ILE  35          1HG2      ILE  35  -7.512  -2.174   1.928
  239   HG22  ILE  35          2HG2      ILE  35  -6.660  -0.632   1.979
  240   HG23  ILE  35          3HG2      ILE  35  -8.020  -0.850   0.879
  241   HD11  ILE  35          3HD1      ILE  35  -8.028  -2.735  -1.576
  242   HD12  ILE  35          1HD1      ILE  35  -8.721  -1.243  -0.940
  243   HD13  ILE  35          2HD1      ILE  35  -8.113  -1.298  -2.595
  244    H    CYS  36           H        CYS  36  -4.122  -3.776  -0.173
  245    HA   CYS  36           HA       CYS  36  -2.341  -2.764  -2.290
  246    HB2  CYS  36           1HB      CYS  36  -0.973  -4.665  -2.023
  247    HB3  CYS  36           2HB      CYS  36  -1.370  -4.171  -0.381
  248    H    TRP  37           H        TRP  37  -2.175  -4.146  -4.231
  249    HA   TRP  37           HA       TRP  37  -4.421  -4.401  -5.670
  250    HB2  TRP  37           1HB      TRP  37  -2.481  -6.649  -5.977
  251    HB3  TRP  37           2HB      TRP  37  -3.230  -5.635  -7.208
  252    HD1  TRP  37           HD       TRP  37  -0.002  -6.177  -5.593
  253    HE1  TRP  37           1HE      TRP  37   1.585  -4.190  -5.992
  254    HE3  TRP  37           3HE      TRP  37  -3.397  -2.755  -7.296
  255    HZ2  TRP  37           2HZ      TRP  37   1.420  -1.525  -6.907
  256    HZ3  TRP  37           3HZ      TRP  37  -2.601  -0.509  -7.912
  257    HH2  TRP  37           HH       TRP  37  -0.242   0.091  -7.720
  258    H    LEU  38           H        LEU  38  -3.007  -7.269  -4.080
  259    HA   LEU  38           HA       LEU  38  -5.023  -9.058  -4.463
  260    HB2  LEU  38           1HB      LEU  38  -3.193  -8.652  -2.121
  261    HB3  LEU  38           2HB      LEU  38  -4.352  -9.979  -2.162
  262    HG   LEU  38           HG       LEU  38  -2.002 -10.563  -2.832
  263   HD11  LEU  38          1HD1      LEU  38  -3.766 -12.046  -3.426
  264   HD12  LEU  38          2HD1      LEU  38  -2.732 -11.862  -4.843
  265   HD13  LEU  38          3HD1      LEU  38  -4.273 -11.008  -4.759
  266   HD21  LEU  38          3HD2      LEU  38  -2.717  -8.904  -5.248
  267   HD22  LEU  38          1HD2      LEU  38  -1.316  -9.967  -5.115
  268   HD23  LEU  38          2HD2      LEU  38  -1.451  -8.552  -4.071
  269    H    CYS  39           H        CYS  39  -4.911  -6.467  -2.087
  270    HA   CYS  39           HA       CYS  39  -7.296  -7.280  -0.725
  271    HB2  CYS  39           1HB      CYS  39  -5.653  -4.752  -0.695
  272    HB3  CYS  39           2HB      CYS  39  -7.135  -4.919   0.240
  273    H    GLU  40           H        GLU  40  -6.542  -4.559  -2.905
  274    HA   GLU  40           HA       GLU  40  -9.085  -3.501  -3.136
  275    HB2  GLU  40           1HB      GLU  40  -7.225  -2.311  -4.053
  276    HB3  GLU  40           2HB      GLU  40  -6.837  -3.635  -5.143
  277    HG2  GLU  40           1HG      GLU  40  -7.854  -1.924  -6.427
  278    HG3  GLU  40           2HG      GLU  40  -9.018  -3.240  -6.282
  279    H    ARG  41           H        ARG  41  -7.642  -6.220  -4.850
  280    HA   ARG  41           HA       ARG  41  -9.951  -6.579  -6.549
  281    HB2  ARG  41           1HB      ARG  41  -8.757  -8.364  -7.552
  282    HB3  ARG  41           2HB      ARG  41  -7.565  -7.117  -7.212
  283    HG2  ARG  41           1HG      ARG  41  -6.421  -8.913  -6.443
  284    HG3  ARG  41           2HG      ARG  41  -7.307  -8.513  -4.970
  285    HD2  ARG  41           1HD      ARG  41  -9.100 -10.118  -5.823
  286    HD3  ARG  41           2HD      ARG  41  -7.888 -10.669  -6.979
  287    HE   ARG  41           HE       ARG  41  -6.637 -10.821  -4.561
  288   HH11  ARG  41          2HH1      ARG  41  -9.590 -12.105  -5.884
  289   HH12  ARG  41          1HH1      ARG  41  -9.565 -13.531  -4.900
  290   HH21  ARG  41          2HH2      ARG  41  -6.593 -12.694  -3.259
  291   HH22  ARG  41          1HH2      ARG  41  -7.860 -13.864  -3.406
  292    H    SER  42           H        SER  42  -9.077  -7.454  -3.403
  293    HA   SER  42           HA       SER  42 -10.386  -9.978  -3.236
  294    HB2  SER  42           1HB      SER  42  -8.672  -9.344  -1.615
  295    HB3  SER  42           2HB      SER  42  -9.665  -7.995  -1.063
  296    HG   SER  42           HG       SER  42 -10.038  -9.642   0.347
  297    H    GLN  43           H        GLN  43 -12.398 -10.490  -2.351
  298    HA   GLN  43           HA       GLN  43 -14.525  -8.798  -3.037
  299    HB2  GLN  43           1HB      GLN  43 -14.503 -11.354  -2.704
  300    HB3  GLN  43           2HB      GLN  43 -14.759 -10.999  -1.001
  301    HG2  GLN  43           1HG      GLN  43 -16.726  -9.533  -1.939
  302    HG3  GLN  43           2HG      GLN  43 -16.586 -10.629  -3.313
  303   HE21  GLN  43          1HE2      GLN  43 -16.242 -13.015  -2.452
  304   HE22  GLN  43          2HE2      GLN  43 -17.439 -13.520  -1.314
  305    H    GLU  44           H        GLU  44 -12.437  -8.592  -0.445
  306    HA   GLU  44           HA       GLU  44 -14.299  -7.615   1.519
  307    HB2  GLU  44           1HB      GLU  44 -12.041  -8.754   1.960
  308    HB3  GLU  44           2HB      GLU  44 -11.317  -7.202   1.565
  309    HG2  GLU  44           1HG      GLU  44 -12.300  -6.147   3.414
  310    HG3  GLU  44           2HG      GLU  44 -13.431  -7.474   3.673
  311    H    HIS  45           H        HIS  45 -11.991  -6.201  -0.752
  312    HA   HIS  45           HA       HIS  45 -12.998  -3.528  -0.046
  313    HB2  HIS  45           1HB      HIS  45 -10.413  -4.411  -1.331
  314    HB3  HIS  45           2HB      HIS  45 -10.930  -2.728  -1.279
  315    HD2  HIS  45           2HD      HIS  45  -9.221  -5.341   0.959
  316    HE1  HIS  45           1HE      HIS  45  -9.897  -1.889   3.331
  317    HE2  HIS  45           2HE      HIS  45  -8.684  -4.089   3.158
  318    H    ARG  46           H        ARG  46 -14.070  -5.686  -1.944
  319    HA   ARG  46           HA       ARG  46 -13.800  -4.813  -4.594
  320    HB2  ARG  46           1HB      ARG  46 -14.925  -6.958  -3.534
  321    HB3  ARG  46           2HB      ARG  46 -16.383  -5.982  -3.655
  322    HG2  ARG  46           1HG      ARG  46 -16.001  -5.714  -6.056
  323    HG3  ARG  46           2HG      ARG  46 -14.547  -6.706  -5.929
  324    HD2  ARG  46           1HD      ARG  46 -15.800  -8.631  -5.357
  325    HD3  ARG  46           2HD      ARG  46 -17.261  -7.684  -5.080
  326    HE   ARG  46           HE       ARG  46 -16.202  -8.559  -7.633
  327   HH11  ARG  46          2HH1      ARG  46 -18.431  -6.493  -5.936
  328   HH12  ARG  46          1HH1      ARG  46 -19.470  -6.270  -7.305
  329   HH21  ARG  46          2HH2      ARG  46 -17.561  -8.273  -9.442
  330   HH22  ARG  46          1HH2      ARG  46 -18.974  -7.284  -9.299
  331    H    GLY  47           H        GLY  47 -14.840  -3.313  -5.817
  332    HA2  GLY  47           1HA      GLY  47 -16.359  -1.647  -6.370
  333    HA3  GLY  47           2HA      GLY  47 -17.204  -1.960  -4.861
  334    H    HIS  48           H        HIS  48 -14.571  -1.670  -3.405
  335    HA   HIS  48           HA       HIS  48 -14.859   1.043  -2.691
  336    HB2  HIS  48           1HB      HIS  48 -12.472  -0.742  -2.176
  337    HB3  HIS  48           2HB      HIS  48 -12.917   0.707  -1.279
  338    HD2  HIS  48           2HD      HIS  48 -16.038  -1.333  -1.821
  339    HE1  HIS  48           1HE      HIS  48 -14.473  -2.570   1.924
  340    HE2  HIS  48           2HE      HIS  48 -16.424  -2.708   0.336
  341    H    HIS  49           H        HIS  49 -14.077   2.833  -3.584
  342    HA   HIS  49           HA       HIS  49 -12.406   2.681  -5.915
  343    HB2  HIS  49           1HB      HIS  49 -14.331   4.365  -5.358
  344    HB3  HIS  49           2HB      HIS  49 -13.061   5.256  -4.524
  345    HD1  HIS  49           1HD      HIS  49 -14.515   6.375  -7.034
  346    HD2  HIS  49           2HD      HIS  49 -10.878   4.369  -7.094
  347    HE1  HIS  49           1HE      HIS  49 -13.373   7.117  -9.148
  348    HE2  HIS  49           2HE      HIS  49 -11.211   5.825  -9.205
  349    H    THR  50           H        THR  50 -10.265   2.740  -5.967
  350    HA   THR  50           HA       THR  50  -8.830   3.695  -3.579
  351    HB   THR  50           HB       THR  50  -6.903   2.323  -4.499
  352    HG1  THR  50           1HG      THR  50  -9.011   1.353  -6.156
  353   HG21  THR  50          3HG2      THR  50  -7.559   0.470  -3.304
  354   HG22  THR  50          1HG2      THR  50  -9.197   0.494  -3.956
  355   HG23  THR  50          2HG2      THR  50  -8.724   1.656  -2.717
  356    H    PHE  51           H        PHE  51  -6.967   4.973  -3.833
  357    HA   PHE  51           HA       PHE  51  -6.549   6.121  -6.506
  358    HB2  PHE  51           1HB      PHE  51  -6.586   7.776  -3.980
  359    HB3  PHE  51           2HB      PHE  51  -6.487   8.354  -5.640
  360    HD1  PHE  51           1HD      PHE  51  -8.726   6.394  -3.399
  361    HD2  PHE  51           2HD      PHE  51  -8.406   9.077  -6.687
  362    HE1  PHE  51           1HE      PHE  51 -11.177   6.598  -3.466
  363    HE2  PHE  51           2HE      PHE  51 -10.856   9.287  -6.759
  364    HZ   PHE  51           HZ       PHE  51 -12.245   8.047  -5.146
  365    HA   PRO  52           HA       PRO  52  -2.286   5.403  -5.690
  366    HB2  PRO  52           1HB      PRO  52  -1.200   7.191  -7.419
  367    HB3  PRO  52           2HB      PRO  52  -1.960   5.685  -7.946
  368    HG2  PRO  52           1HG      PRO  52  -3.087   8.458  -7.896
  369    HG3  PRO  52           2HG      PRO  52  -3.219   7.220  -9.158
  370    HD2  PRO  52           1HD      PRO  52  -5.210   7.717  -7.391
  371    HD3  PRO  52           2HD      PRO  52  -4.908   6.100  -8.059
  372    H    THR  53           H        THR  53  -2.564   6.331  -3.488
  373    HA   THR  53           HA       THR  53  -2.089   9.085  -2.990
  374    HB   THR  53           HB       THR  53  -3.217   7.708  -1.329
  375    HG1  THR  53           1HG      THR  53  -1.910   8.362   0.491
  376   HG21  THR  53          3HG2      THR  53  -1.440   6.248   0.049
  377   HG22  THR  53          1HG2      THR  53  -0.747   6.091  -1.565
  378   HG23  THR  53          2HG2      THR  53  -2.410   5.584  -1.266
  379    H    SER  54           H        SER  54  -0.019   6.305  -3.403
  380    HA   SER  54           HA       SER  54   2.304   8.058  -3.435
  381    HB2  SER  54           1HB      SER  54   3.600   6.617  -1.924
  382    HB3  SER  54           2HB      SER  54   2.192   7.286  -1.101
  383    HG   SER  54           HG       SER  54   1.271   5.107  -2.016
  384    H    GLY  55           H        GLY  55   4.333   6.575  -3.941
  385    HA2  GLY  55           1HA      GLY  55   4.381   4.180  -5.139
  386    HA3  GLY  55           2HA      GLY  55   3.622   5.166  -6.380
  387    HA   PRO  56           HA       PRO  56   8.420   5.671  -6.061
  388    HB2  PRO  56           1HB      PRO  56   9.326   3.531  -7.464
  389    HB3  PRO  56           2HB      PRO  56   9.128   3.514  -5.708
  390    HG2  PRO  56           1HG      PRO  56   7.314   2.432  -7.829
  391    HG3  PRO  56           2HG      PRO  56   7.788   1.702  -6.285
  392    HD2  PRO  56           1HD      PRO  56   5.410   2.948  -6.637
  393    HD3  PRO  56           2HD      PRO  56   6.269   2.952  -5.083
  394    H    SER  57           H        SER  57   6.151   4.723  -8.515
  395    HA   SER  57           HA       SER  57   7.326   6.640 -10.354
  396    HB2  SER  57           1HB      SER  57   8.501   4.723 -11.116
  397    HB3  SER  57           2HB      SER  57   7.074   3.697 -10.970
  398    HG   SER  57           HG       SER  57   6.665   5.819 -12.627
  399    H    SER  58           H        SER  58   5.878   7.423 -11.899
  400    HA   SER  58           HA       SER  58   3.128   7.286 -11.143
  401    HB2  SER  58           1HB      SER  58   4.533   8.625 -13.461
  402    HB3  SER  58           2HB      SER  58   2.801   8.768 -13.163
  403    HG   SER  58           HG       SER  58   3.179  10.052 -11.518
  404    H    GLY  59           H        GLY  59   1.548   6.027 -11.907
  405    HA2  GLY  59           1HA      GLY  59   1.925   4.679 -14.490
  406    HA3  GLY  59           2HA      GLY  59   1.597   3.701 -13.066
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   8.021 -20.000 -15.801
    2    HA2  GLY   1           1HA      GLY   1  10.021 -21.331 -14.078
    3    HA3  GLY   1           2HA      GLY   1  10.429 -20.090 -15.253
    4    H    SER   2           H        SER   2  10.920 -20.178 -12.362
    5    HA   SER   2           HA       SER   2   9.170 -18.111 -11.296
    6    HB2  SER   2           1HB      SER   2  10.331 -18.466  -9.189
    7    HB3  SER   2           2HB      SER   2   9.873 -20.026  -9.871
    8    HG   SER   2           HG       SER   2  12.001 -20.133  -9.182
    9    H    SER   3           H        SER   3  10.340 -16.329 -10.008
   10    HA   SER   3           HA       SER   3  12.664 -15.336 -11.511
   11    HB2  SER   3           1HB      SER   3  10.623 -14.219 -12.351
   12    HB3  SER   3           2HB      SER   3  10.260 -13.674 -10.713
   13    HG   SER   3           HG       SER   3  11.361 -11.998 -11.451
   14    H    GLY   4           H        GLY   4  14.228 -14.372 -10.316
   15    HA2  GLY   4           1HA      GLY   4  14.806 -13.003  -8.359
   16    HA3  GLY   4           2HA      GLY   4  13.654 -13.966  -7.446
   17    H    SER   5           H        SER   5  16.378 -14.702  -9.629
   18    HA   SER   5           HA       SER   5  17.148 -16.986  -8.110
   19    HB2  SER   5           1HB      SER   5  19.164 -16.966  -9.610
   20    HB3  SER   5           2HB      SER   5  17.625 -16.954 -10.471
   21    HG   SER   5           HG       SER   5  19.599 -15.037 -10.349
   22    H    SER   6           H        SER   6  18.785 -13.866  -8.677
   23    HA   SER   6           HA       SER   6  20.454 -14.351  -6.325
   24    HB2  SER   6           1HB      SER   6  21.618 -13.654  -8.354
   25    HB3  SER   6           2HB      SER   6  20.613 -12.209  -8.461
   26    HG   SER   6           HG       SER   6  22.699 -11.859  -7.488
   27    H    GLY   7           H        GLY   7  20.835 -12.544  -4.815
   28    HA2  GLY   7           1HA      GLY   7  20.149 -10.753  -3.511
   29    HA3  GLY   7           2HA      GLY   7  18.858 -10.450  -4.665
   30    H    SER   8           H        SER   8  18.832 -10.516  -1.711
   31    HA   SER   8           HA       SER   8  17.399 -12.879  -0.943
   32    HB2  SER   8           1HB      SER   8  17.853 -10.236   0.454
   33    HB3  SER   8           2HB      SER   8  16.992 -11.591   1.184
   34    HG   SER   8           HG       SER   8  19.310 -11.425   1.652
   35    HA   PRO   9           HA       PRO   9  13.344 -11.706  -2.181
   36    HB2  PRO   9           1HB      PRO   9  11.904 -13.203  -0.433
   37    HB3  PRO   9           2HB      PRO   9  12.760 -13.898  -1.815
   38    HG2  PRO   9           1HG      PRO   9  13.587 -13.774   1.060
   39    HG3  PRO   9           2HG      PRO   9  13.720 -15.122  -0.086
   40    HD2  PRO   9           1HD      PRO   9  15.817 -13.525   0.534
   41    HD3  PRO   9           2HD      PRO   9  15.621 -14.265  -1.068
   42    H    GLU  10           H        GLU  10  14.538 -11.170   1.012
   43    HA   GLU  10           HA       GLU  10  12.333  -9.282   1.525
   44    HB2  GLU  10           1HB      GLU  10  13.797 -11.155   3.317
   45    HB3  GLU  10           2HB      GLU  10  13.302  -9.607   3.986
   46    HG2  GLU  10           1HG      GLU  10  11.507 -11.673   2.737
   47    HG3  GLU  10           2HG      GLU  10  11.641 -11.292   4.452
   48    H    GLY  11           H        GLY  11  13.018  -7.293   1.056
   49    HA2  GLY  11           1HA      GLY  11  15.582  -6.422   2.210
   50    HA3  GLY  11           2HA      GLY  11  15.243  -6.102   0.515
   51    H    GLN  12           H        GLN  12  13.719  -4.538  -0.047
   52    HA   GLN  12           HA       GLN  12  13.317  -2.511   1.985
   53    HB2  GLN  12           1HB      GLN  12  12.506  -1.123   0.116
   54    HB3  GLN  12           2HB      GLN  12  14.093  -1.808  -0.207
   55    HG2  GLN  12           1HG      GLN  12  13.122  -2.230  -2.203
   56    HG3  GLN  12           2HG      GLN  12  12.629  -3.694  -1.353
   57   HE21  GLN  12          1HE2      GLN  12  11.463  -0.341  -1.413
   58   HE22  GLN  12          2HE2      GLN  12   9.820  -0.740  -1.767
   59    H    LYS  13           H        LYS  13  11.625  -2.710   3.294
   60    HA   LYS  13           HA       LYS  13   9.069  -3.627   2.149
   61    HB2  LYS  13           1HB      LYS  13   8.490  -4.236   4.531
   62    HB3  LYS  13           2HB      LYS  13   9.755  -5.207   3.788
   63    HG2  LYS  13           1HG      LYS  13  11.423  -3.706   4.928
   64    HG3  LYS  13           2HG      LYS  13  10.066  -3.019   5.825
   65    HD2  LYS  13           1HD      LYS  13  10.754  -4.654   7.283
   66    HD3  LYS  13           2HD      LYS  13   9.550  -5.543   6.347
   67    HE2  LYS  13           1HE      LYS  13  11.324  -7.015   6.344
   68    HE3  LYS  13           2HE      LYS  13  11.581  -6.147   4.832
   69    HZ1  LYS  13           3HZ      LYS  13  12.852  -4.893   7.077
   70    HZ2  LYS  13           1HZ      LYS  13  13.493  -5.309   5.568
   71    HZ3  LYS  13           2HZ      LYS  13  13.417  -6.463   6.802
   72    H    VAL  14           H        VAL  14   7.911  -1.857   1.690
   73    HA   VAL  14           HA       VAL  14   7.660   0.198   3.789
   74    HB   VAL  14           HB       VAL  14   8.799   1.283   2.032
   75   HG11  VAL  14          1HG1      VAL  14   8.398   1.046  -0.257
   76   HG12  VAL  14          2HG1      VAL  14   8.211  -0.589   0.378
   77   HG13  VAL  14          3HG1      VAL  14   6.786   0.380  -0.001
   78   HG21  VAL  14          3HG2      VAL  14   5.846   1.840   1.780
   79   HG22  VAL  14          1HG2      VAL  14   6.988   2.617   2.877
   80   HG23  VAL  14          2HG2      VAL  14   7.117   2.881   1.138
   81    H    ASP  15           H        ASP  15   5.771  -0.336   4.737
   82    HA   ASP  15           HA       ASP  15   3.542  -0.684   5.035
   83    HB2  ASP  15           1HB      ASP  15   3.553   0.935   2.495
   84    HB3  ASP  15           2HB      ASP  15   2.050   0.399   3.242
   85    H    HIS  16           H        HIS  16   4.798  -2.901   4.137
   86    HA   HIS  16           HA       HIS  16   3.435  -3.987   1.833
   87    HB2  HIS  16           1HB      HIS  16   5.528  -4.980   3.731
   88    HB3  HIS  16           2HB      HIS  16   4.654  -6.136   2.730
   89    HD1  HIS  16           1HD      HIS  16   6.791  -3.024   2.328
   90    HD2  HIS  16           2HD      HIS  16   5.649  -6.414   0.215
   91    HE1  HIS  16           1HE      HIS  16   8.146  -2.985   0.211
   92    HE2  HIS  16           2HE      HIS  16   7.377  -4.999  -1.090
   93    H    CYS  17           H        CYS  17   1.575  -5.062   1.848
   94    HA   CYS  17           HA       CYS  17  -0.104  -5.255   4.030
   95    HB2  CYS  17           1HB      CYS  17  -0.732  -5.519   1.604
   96    HB3  CYS  17           2HB      CYS  17  -0.119  -7.167   1.690
   97    H    ALA  18           H        ALA  18  -0.398  -6.653   5.668
   98    HA   ALA  18           HA       ALA  18   1.608  -8.711   6.068
   99    HB1  ALA  18           3HB      ALA  18   1.056  -7.218   7.914
  100    HB2  ALA  18           1HB      ALA  18  -0.617  -7.775   7.876
  101    HB3  ALA  18           2HB      ALA  18   0.675  -8.891   8.321
  102    H    ARG  19           H        ARG  19  -1.195  -8.645   4.427
  103    HA   ARG  19           HA       ARG  19  -1.998 -11.357   5.237
  104    HB2  ARG  19           1HB      ARG  19  -3.848  -9.862   5.411
  105    HB3  ARG  19           2HB      ARG  19  -3.510  -9.157   3.835
  106    HG2  ARG  19           1HG      ARG  19  -4.164 -11.204   2.735
  107    HG3  ARG  19           2HG      ARG  19  -4.399 -11.996   4.294
  108    HD2  ARG  19           1HD      ARG  19  -6.147 -10.324   4.827
  109    HD3  ARG  19           2HD      ARG  19  -5.951  -9.649   3.210
  110    HE   ARG  19           HE       ARG  19  -6.480 -12.223   2.679
  111   HH11  ARG  19          2HH1      ARG  19  -8.032  -9.915   4.773
  112   HH12  ARG  19          1HH1      ARG  19  -9.604 -10.622   4.603
  113   HH21  ARG  19          2HH2      ARG  19  -8.545 -13.162   2.447
  114   HH22  ARG  19          1HH2      ARG  19  -9.895 -12.470   3.280
  115    H    HIS  20           H        HIS  20  -1.026  -9.349   2.530
  116    HA   HIS  20           HA       HIS  20  -0.864 -11.771   0.858
  117    HB2  HIS  20           1HB      HIS  20  -1.235  -8.908  -0.048
  118    HB3  HIS  20           2HB      HIS  20  -1.117 -10.313  -1.103
  119    HD2  HIS  20           2HD      HIS  20  -3.384 -12.090  -0.928
  120    HE1  HIS  20           1HE      HIS  20  -5.890  -9.131   0.794
  121    HE2  HIS  20           2HE      HIS  20  -5.786 -11.430  -0.230
  122    H    GLY  21           H        GLY  21   0.730  -8.819   1.899
  123    HA2  GLY  21           1HA      GLY  21   3.063  -8.640   2.216
  124    HA3  GLY  21           2HA      GLY  21   3.292  -9.992   1.116
  125    H    GLU  22           H        GLU  22   1.097  -7.657  -0.014
  126    HA   GLU  22           HA       GLU  22   3.044  -6.787  -2.004
  127    HB2  GLU  22           1HB      GLU  22   0.066  -6.837  -1.839
  128    HB3  GLU  22           2HB      GLU  22   0.820  -5.644  -2.887
  129    HG2  GLU  22           1HG      GLU  22   0.857  -8.622  -3.086
  130    HG3  GLU  22           2HG      GLU  22   0.426  -7.424  -4.305
  131    H    LYS  23           H        LYS  23   3.536  -4.639  -2.423
  132    HA   LYS  23           HA       LYS  23   3.645  -2.916  -0.190
  133    HB2  LYS  23           1HB      LYS  23   4.091  -2.328  -3.122
  134    HB3  LYS  23           2HB      LYS  23   4.508  -1.239  -1.806
  135    HG2  LYS  23           1HG      LYS  23   6.295  -2.499  -1.141
  136    HG3  LYS  23           2HG      LYS  23   5.607  -4.002  -1.761
  137    HD2  LYS  23           1HD      LYS  23   7.439  -3.443  -3.170
  138    HD3  LYS  23           2HD      LYS  23   5.967  -3.088  -4.077
  139    HE2  LYS  23           1HE      LYS  23   6.215  -0.700  -3.232
  140    HE3  LYS  23           2HE      LYS  23   7.839  -1.162  -2.723
  141    HZ1  LYS  23           3HZ      LYS  23   8.515  -0.755  -4.776
  142    HZ2  LYS  23           1HZ      LYS  23   6.936  -0.440  -5.294
  143    HZ3  LYS  23           2HZ      LYS  23   7.543  -2.017  -5.345
  144    H    LEU  24           H        LEU  24   2.102  -1.683   0.637
  145    HA   LEU  24           HA       LEU  24  -0.371  -1.247  -0.750
  146    HB2  LEU  24           1HB      LEU  24   0.552  -0.007   1.834
  147    HB3  LEU  24           2HB      LEU  24  -1.106  -0.152   1.255
  148    HG   LEU  24           HG       LEU  24   0.510  -2.616   1.767
  149   HD11  LEU  24          1HD1      LEU  24  -0.304  -0.652   3.756
  150   HD12  LEU  24          2HD1      LEU  24   0.785  -2.032   3.901
  151   HD13  LEU  24          3HD1      LEU  24  -0.957  -2.263   4.060
  152   HD21  LEU  24          3HD2      LEU  24  -2.317  -2.449   2.512
  153   HD22  LEU  24          1HD2      LEU  24  -1.456  -3.675   1.580
  154   HD23  LEU  24          2HD2      LEU  24  -2.001  -2.192   0.795
  155    H    LEU  25           H        LEU  25  -0.268   0.120  -2.442
  156    HA   LEU  25           HA       LEU  25   0.875   2.793  -1.957
  157    HB2  LEU  25           1HB      LEU  25   0.607   1.355  -4.592
  158    HB3  LEU  25           2HB      LEU  25   1.322   2.946  -4.339
  159    HG   LEU  25           HG       LEU  25   2.437   0.382  -3.208
  160   HD11  LEU  25          1HD1      LEU  25   4.081   0.452  -4.952
  161   HD12  LEU  25          2HD1      LEU  25   3.404   1.949  -5.593
  162   HD13  LEU  25          3HD1      LEU  25   2.479   0.451  -5.689
  163   HD21  LEU  25          3HD2      LEU  25   4.206   1.614  -2.413
  164   HD22  LEU  25          1HD2      LEU  25   2.876   2.749  -2.178
  165   HD23  LEU  25          2HD2      LEU  25   3.952   2.927  -3.564
  166    H    LEU  26           H        LEU  26  -1.954   1.155  -2.241
  167    HA   LEU  26           HA       LEU  26  -3.347   3.396  -3.542
  168    HB2  LEU  26           1HB      LEU  26  -4.158   0.528  -3.118
  169    HB3  LEU  26           2HB      LEU  26  -5.258   1.774  -3.707
  170    HG   LEU  26           HG       LEU  26  -2.702   1.136  -5.147
  171   HD11  LEU  26          1HD1      LEU  26  -5.308  -0.334  -5.213
  172   HD12  LEU  26          2HD1      LEU  26  -3.665  -0.974  -5.167
  173   HD13  LEU  26          3HD1      LEU  26  -4.284  -0.240  -6.646
  174   HD21  LEU  26          3HD2      LEU  26  -5.207   2.645  -5.698
  175   HD22  LEU  26          1HD2      LEU  26  -4.382   1.856  -7.042
  176   HD23  LEU  26          2HD2      LEU  26  -3.532   3.057  -6.070
  177    H    PHE  27           H        PHE  27  -4.923   4.508  -2.487
  178    HA   PHE  27           HA       PHE  27  -5.306   3.841   0.355
  179    HB2  PHE  27           1HB      PHE  27  -4.189   6.028  -0.178
  180    HB3  PHE  27           2HB      PHE  27  -5.684   6.538  -0.956
  181    HD1  PHE  27           1HD      PHE  27  -7.743   6.815   0.399
  182    HD2  PHE  27           2HD      PHE  27  -3.945   6.075   2.171
  183    HE1  PHE  27           1HE      PHE  27  -8.605   7.602   2.565
  184    HE2  PHE  27           2HE      PHE  27  -4.800   6.861   4.340
  185    HZ   PHE  27           HZ       PHE  27  -7.133   7.625   4.539
  186    H    CYS  28           H        CYS  28  -7.199   2.926   0.761
  187    HA   CYS  28           HA       CYS  28  -9.414   3.105  -1.039
  188    HB2  CYS  28           1HB      CYS  28  -8.759   1.145   0.516
  189    HB3  CYS  28           2HB      CYS  28  -9.583   2.057   1.776
  190    H    GLN  29           H        GLN  29 -11.188   4.363  -0.949
  191    HA   GLN  29           HA       GLN  29 -11.190   6.539   0.976
  192    HB2  GLN  29           1HB      GLN  29 -12.997   7.471  -0.433
  193    HB3  GLN  29           2HB      GLN  29 -11.538   7.117  -1.350
  194    HG2  GLN  29           1HG      GLN  29 -12.534   5.518  -2.583
  195    HG3  GLN  29           2HG      GLN  29 -13.550   4.969  -1.251
  196   HE21  GLN  29          1HE2      GLN  29 -13.116   7.832  -3.305
  197   HE22  GLN  29          2HE2      GLN  29 -14.801   8.127  -3.543
  198    H    GLU  30           H        GLU  30 -13.008   3.662   0.211
  199    HA   GLU  30           HA       GLU  30 -15.325   4.265   1.725
  200    HB2  GLU  30           1HB      GLU  30 -14.125   1.740   0.638
  201    HB3  GLU  30           2HB      GLU  30 -15.500   1.662   1.731
  202    HG2  GLU  30           1HG      GLU  30 -15.512   3.312  -0.777
  203    HG3  GLU  30           2HG      GLU  30 -16.015   1.622  -0.737
  204    H    ASP  31           H        ASP  31 -12.281   2.658   2.494
  205    HA   ASP  31           HA       ASP  31 -13.147   2.379   5.287
  206    HB2  ASP  31           1HB      ASP  31 -10.856   1.108   3.777
  207    HB3  ASP  31           2HB      ASP  31 -11.126   0.910   5.506
  208    H    GLY  32           H        GLY  32 -10.680   3.810   3.226
  209    HA2  GLY  32           1HA      GLY  32  -9.528   5.801   3.679
  210    HA3  GLY  32           2HA      GLY  32 -10.033   5.686   5.358
  211    H    LYS  33           H        LYS  33  -8.652   2.901   3.850
  212    HA   LYS  33           HA       LYS  33  -6.115   3.405   5.263
  213    HB2  LYS  33           1HB      LYS  33  -5.986   1.008   5.756
  214    HB3  LYS  33           2HB      LYS  33  -7.434   1.724   6.452
  215    HG2  LYS  33           1HG      LYS  33  -8.836   0.585   5.066
  216    HG3  LYS  33           2HG      LYS  33  -7.650   0.488   3.762
  217    HD2  LYS  33           1HD      LYS  33  -7.068  -0.967   6.288
  218    HD3  LYS  33           2HD      LYS  33  -8.310  -1.627   5.221
  219    HE2  LYS  33           1HE      LYS  33  -6.491  -2.667   4.333
  220    HE3  LYS  33           2HE      LYS  33  -6.438  -1.176   3.395
  221    HZ1  LYS  33           3HZ      LYS  33  -4.455  -2.205   5.027
  222    HZ2  LYS  33           1HZ      LYS  33  -5.046  -0.838   5.830
  223    HZ3  LYS  33           2HZ      LYS  33  -4.465  -0.704   4.247
  224    H    VAL  34           H        VAL  34  -4.258   2.203   4.395
  225    HA   VAL  34           HA       VAL  34  -4.244   2.338   1.506
  226    HB   VAL  34           HB       VAL  34  -1.779   1.529   1.964
  227   HG11  VAL  34          1HG1      VAL  34  -1.104   3.745   1.894
  228   HG12  VAL  34          2HG1      VAL  34  -2.746   3.825   1.251
  229   HG13  VAL  34          3HG1      VAL  34  -2.429   4.287   2.924
  230   HG21  VAL  34          3HG2      VAL  34  -2.329   1.017   4.366
  231   HG22  VAL  34          1HG2      VAL  34  -0.924   2.053   4.119
  232   HG23  VAL  34          2HG2      VAL  34  -2.459   2.756   4.629
  233    H    ILE  35           H        ILE  35  -5.015   0.656   0.403
  234    HA   ILE  35           HA       ILE  35  -4.518  -2.058   1.409
  235    HB   ILE  35           HB       ILE  35  -6.339  -2.823   0.132
  236   HG12  ILE  35          1HG1      ILE  35  -6.481  -0.137  -1.248
  237   HG13  ILE  35          2HG1      ILE  35  -5.694  -1.552  -1.936
  238   HG21  ILE  35          1HG2      ILE  35  -6.733  -0.324   1.637
  239   HG22  ILE  35          2HG2      ILE  35  -8.075  -0.816   0.604
  240   HG23  ILE  35          3HG2      ILE  35  -7.475  -1.909   1.851
  241   HD11  ILE  35          3HD1      ILE  35  -8.610  -1.196  -1.314
  242   HD12  ILE  35          1HD1      ILE  35  -7.854  -1.390  -2.895
  243   HD13  ILE  35          2HD1      ILE  35  -7.886  -2.740  -1.761
  244    H    CYS  36           H        CYS  36  -4.137  -3.738  -0.300
  245    HA   CYS  36           HA       CYS  36  -2.265  -2.687  -2.316
  246    HB2  CYS  36           1HB      CYS  36  -1.013  -4.724  -2.132
  247    HB3  CYS  36           2HB      CYS  36  -1.293  -4.125  -0.500
  248    H    TRP  37           H        TRP  37  -1.954  -4.384  -4.158
  249    HA   TRP  37           HA       TRP  37  -4.128  -4.402  -5.792
  250    HB2  TRP  37           1HB      TRP  37  -2.395  -6.814  -5.960
  251    HB3  TRP  37           2HB      TRP  37  -2.901  -5.699  -7.227
  252    HD1  TRP  37           HD       TRP  37   0.176  -6.759  -6.150
  253    HE1  TRP  37           1HE      TRP  37   1.971  -4.919  -6.026
  254    HE3  TRP  37           3HE      TRP  37  -2.871  -2.654  -6.118
  255    HZ2  TRP  37           2HZ      TRP  37   2.081  -2.100  -5.928
  256    HZ3  TRP  37           3HZ      TRP  37  -1.841  -0.422  -6.008
  257    HH2  TRP  37           HH       TRP  37   0.584  -0.153  -5.914
  258    H    LEU  38           H        LEU  38  -3.061  -7.308  -4.011
  259    HA   LEU  38           HA       LEU  38  -5.177  -8.957  -4.525
  260    HB2  LEU  38           1HB      LEU  38  -3.533  -8.643  -2.030
  261    HB3  LEU  38           2HB      LEU  38  -4.736  -9.917  -2.210
  262    HG   LEU  38           HG       LEU  38  -2.457 -10.714  -2.644
  263   HD11  LEU  38          1HD1      LEU  38  -4.700 -10.911  -4.464
  264   HD12  LEU  38          2HD1      LEU  38  -3.608 -12.164  -3.876
  265   HD13  LEU  38          3HD1      LEU  38  -3.161 -11.192  -5.278
  266   HD21  LEU  38          3HD2      LEU  38  -2.464  -8.939  -5.075
  267   HD22  LEU  38          1HD2      LEU  38  -1.147  -9.936  -4.456
  268   HD23  LEU  38          2HD2      LEU  38  -1.661  -8.504  -3.565
  269    H    CYS  39           H        CYS  39  -4.954  -6.591  -1.880
  270    HA   CYS  39           HA       CYS  39  -7.452  -7.101  -0.728
  271    HB2  CYS  39           1HB      CYS  39  -5.747  -4.612  -0.798
  272    HB3  CYS  39           2HB      CYS  39  -7.242  -4.715   0.127
  273    H    GLU  40           H        GLU  40  -6.512  -4.751  -3.220
  274    HA   GLU  40           HA       GLU  40  -8.998  -3.521  -3.543
  275    HB2  GLU  40           1HB      GLU  40  -7.053  -2.532  -4.530
  276    HB3  GLU  40           2HB      GLU  40  -6.740  -3.968  -5.495
  277    HG2  GLU  40           1HG      GLU  40  -8.983  -3.511  -6.606
  278    HG3  GLU  40           2HG      GLU  40  -8.907  -1.926  -5.840
  279    H    ARG  41           H        ARG  41  -7.651  -6.413  -5.067
  280    HA   ARG  41           HA       ARG  41 -10.125  -6.842  -6.551
  281    HB2  ARG  41           1HB      ARG  41  -7.540  -8.411  -6.535
  282    HB3  ARG  41           2HB      ARG  41  -8.914  -8.728  -7.586
  283    HG2  ARG  41           1HG      ARG  41  -8.573  -6.241  -8.301
  284    HG3  ARG  41           2HG      ARG  41  -6.948  -6.492  -7.658
  285    HD2  ARG  41           1HD      ARG  41  -6.988  -6.954 -10.038
  286    HD3  ARG  41           2HD      ARG  41  -6.682  -8.437  -9.134
  287    HE   ARG  41           HE       ARG  41  -9.454  -8.093  -9.686
  288   HH11  ARG  41          2HH1      ARG  41  -6.429  -9.086 -11.095
  289   HH12  ARG  41          1HH1      ARG  41  -7.167 -10.130 -12.264
  290   HH21  ARG  41          2HH2      ARG  41 -10.437  -9.465 -11.220
  291   HH22  ARG  41          1HH2      ARG  41  -9.447 -10.345 -12.335
  292    H    SER  42           H        SER  42  -9.679  -7.149  -3.531
  293    HA   SER  42           HA       SER  42 -10.552  -9.948  -3.277
  294    HB2  SER  42           1HB      SER  42  -9.009  -8.116  -1.510
  295    HB3  SER  42           2HB      SER  42 -10.087  -9.272  -0.728
  296    HG   SER  42           HG       SER  42  -8.578 -10.373  -2.727
  297    H    GLN  43           H        GLN  43 -12.447 -10.459  -2.239
  298    HA   GLN  43           HA       GLN  43 -14.629  -8.814  -2.466
  299    HB2  GLN  43           1HB      GLN  43 -14.943 -11.159  -2.122
  300    HB3  GLN  43           2HB      GLN  43 -14.137 -11.100  -0.560
  301    HG2  GLN  43           1HG      GLN  43 -15.962  -9.776   0.349
  302    HG3  GLN  43           2HG      GLN  43 -16.766  -9.791  -1.220
  303   HE21  GLN  43          1HE2      GLN  43 -18.228 -10.659   0.782
  304   HE22  GLN  43          2HE2      GLN  43 -18.379 -12.379   0.779
  305    H    GLU  44           H        GLU  44 -12.216  -8.824   0.007
  306    HA   GLU  44           HA       GLU  44 -13.632  -7.582   2.089
  307    HB2  GLU  44           1HB      GLU  44 -11.451  -8.598   2.451
  308    HB3  GLU  44           2HB      GLU  44 -10.698  -7.426   1.379
  309    HG2  GLU  44           1HG      GLU  44 -11.013  -5.668   2.901
  310    HG3  GLU  44           2HG      GLU  44 -12.159  -6.600   3.864
  311    H    HIS  45           H        HIS  45 -11.637  -6.179  -0.500
  312    HA   HIS  45           HA       HIS  45 -12.912  -3.580   0.052
  313    HB2  HIS  45           1HB      HIS  45 -10.141  -4.195  -0.981
  314    HB3  HIS  45           2HB      HIS  45 -10.854  -2.585  -1.021
  315    HD2  HIS  45           2HD      HIS  45  -9.005  -4.906   1.407
  316    HE1  HIS  45           1HE      HIS  45 -10.319  -1.544   3.635
  317    HE2  HIS  45           2HE      HIS  45  -8.812  -3.561   3.608
  318    H    ARG  46           H        ARG  46 -13.553  -5.938  -1.803
  319    HA   ARG  46           HA       ARG  46 -13.143  -5.180  -4.466
  320    HB2  ARG  46           1HB      ARG  46 -14.801  -6.782  -5.043
  321    HB3  ARG  46           2HB      ARG  46 -13.975  -7.411  -3.623
  322    HG2  ARG  46           1HG      ARG  46 -15.807  -7.244  -2.312
  323    HG3  ARG  46           2HG      ARG  46 -16.395  -5.794  -3.128
  324    HD2  ARG  46           1HD      ARG  46 -17.951  -7.371  -3.776
  325    HD3  ARG  46           2HD      ARG  46 -16.812  -7.406  -5.122
  326    HE   ARG  46           HE       ARG  46 -16.339  -9.330  -3.002
  327   HH11  ARG  46          2HH1      ARG  46 -17.745  -8.680  -6.120
  328   HH12  ARG  46          1HH1      ARG  46 -17.810 -10.348  -6.583
  329   HH21  ARG  46          2HH2      ARG  46 -16.419 -11.529  -3.600
  330   HH22  ARG  46          1HH2      ARG  46 -17.056 -11.968  -5.149
  331    H    GLY  47           H        GLY  47 -14.235  -3.887  -5.876
  332    HA2  GLY  47           1HA      GLY  47 -15.688  -2.273  -6.628
  333    HA3  GLY  47           2HA      GLY  47 -16.824  -2.831  -5.409
  334    H    HIS  48           H        HIS  48 -13.724  -1.878  -4.289
  335    HA   HIS  48           HA       HIS  48 -14.924   0.496  -3.064
  336    HB2  HIS  48           1HB      HIS  48 -12.409  -1.054  -2.426
  337    HB3  HIS  48           2HB      HIS  48 -12.862   0.443  -1.616
  338    HD2  HIS  48           2HD      HIS  48 -15.858  -1.867  -2.204
  339    HE1  HIS  48           1HE      HIS  48 -14.588  -2.461   1.800
  340    HE2  HIS  48           2HE      HIS  48 -16.348  -2.985   0.076
  341    H    HIS  49           H        HIS  49 -14.040   2.538  -3.249
  342    HA   HIS  49           HA       HIS  49 -12.516   3.009  -5.655
  343    HB2  HIS  49           1HB      HIS  49 -14.015   4.685  -3.704
  344    HB3  HIS  49           2HB      HIS  49 -12.739   5.467  -4.633
  345    HD1  HIS  49           1HD      HIS  49 -16.206   5.028  -4.766
  346    HD2  HIS  49           2HD      HIS  49 -13.179   4.658  -7.587
  347    HE1  HIS  49           1HE      HIS  49 -17.342   5.229  -7.001
  348    HE2  HIS  49           2HE      HIS  49 -15.503   4.917  -8.694
  349    H    THR  50           H        THR  50 -10.381   3.110  -5.747
  350    HA   THR  50           HA       THR  50  -8.894   3.768  -3.287
  351    HB   THR  50           HB       THR  50  -6.999   2.455  -4.313
  352    HG1  THR  50           1HG      THR  50  -9.087   1.774  -6.118
  353   HG21  THR  50          3HG2      THR  50  -9.037   1.630  -2.721
  354   HG22  THR  50          1HG2      THR  50  -7.650   0.631  -3.153
  355   HG23  THR  50          2HG2      THR  50  -9.162   0.476  -4.048
  356    H    PHE  51           H        PHE  51  -7.060   5.083  -3.459
  357    HA   PHE  51           HA       PHE  51  -6.685   6.437  -6.043
  358    HB2  PHE  51           1HB      PHE  51  -6.757   7.798  -3.342
  359    HB3  PHE  51           2HB      PHE  51  -6.455   8.583  -4.889
  360    HD1  PHE  51           1HD      PHE  51  -9.014   6.600  -3.063
  361    HD2  PHE  51           2HD      PHE  51  -8.215   9.465  -6.108
  362    HE1  PHE  51           1HE      PHE  51 -11.430   6.977  -3.337
  363    HE2  PHE  51           2HE      PHE  51 -10.630   9.847  -6.387
  364    HZ   PHE  51           HZ       PHE  51 -12.240   8.603  -5.000
  365    HA   PRO  52           HA       PRO  52  -2.417   5.563  -5.407
  366    HB2  PRO  52           1HB      PRO  52  -1.356   7.411  -7.090
  367    HB3  PRO  52           2HB      PRO  52  -2.162   5.944  -7.659
  368    HG2  PRO  52           1HG      PRO  52  -3.233   8.731  -7.442
  369    HG3  PRO  52           2HG      PRO  52  -3.432   7.555  -8.754
  370    HD2  PRO  52           1HD      PRO  52  -5.351   8.006  -6.898
  371    HD3  PRO  52           2HD      PRO  52  -5.104   6.416  -7.649
  372    H    THR  53           H        THR  53  -1.272   6.097  -3.667
  373    HA   THR  53           HA       THR  53  -1.405   8.788  -2.581
  374    HB   THR  53           HB       THR  53  -0.649   7.938  -0.583
  375    HG1  THR  53           1HG      THR  53   0.561   5.776  -0.702
  376   HG21  THR  53          3HG2      THR  53  -1.690   5.789  -0.172
  377   HG22  THR  53          1HG2      THR  53  -1.711   5.435  -1.899
  378   HG23  THR  53          2HG2      THR  53  -2.709   6.738  -1.253
  379    H    SER  54           H        SER  54   1.127   6.516  -3.635
  380    HA   SER  54           HA       SER  54   2.918   8.830  -3.992
  381    HB2  SER  54           1HB      SER  54   3.636   5.970  -3.304
  382    HB3  SER  54           2HB      SER  54   4.803   7.249  -3.637
  383    HG   SER  54           HG       SER  54   2.851   7.364  -1.581
  384    H    GLY  55           H        GLY  55   1.326   6.206  -5.478
  385    HA2  GLY  55           1HA      GLY  55   2.773   5.279  -7.525
  386    HA3  GLY  55           2HA      GLY  55   1.114   5.810  -7.761
  387    HA   PRO  56           HA       PRO  56   4.401   9.044  -9.370
  388    HB2  PRO  56           1HB      PRO  56   6.218   7.763 -10.928
  389    HB3  PRO  56           2HB      PRO  56   6.483   8.085  -9.210
  390    HG2  PRO  56           1HG      PRO  56   5.569   5.567 -10.546
  391    HG3  PRO  56           2HG      PRO  56   6.744   5.775  -9.234
  392    HD2  PRO  56           1HD      PRO  56   4.190   4.992  -8.792
  393    HD3  PRO  56           2HD      PRO  56   5.103   5.972  -7.627
  394    H    SER  57           H        SER  57   3.894   6.087 -11.307
  395    HA   SER  57           HA       SER  57   3.087   7.719 -13.585
  396    HB2  SER  57           1HB      SER  57   3.394   5.812 -14.923
  397    HB3  SER  57           2HB      SER  57   4.661   5.670 -13.705
  398    HG   SER  57           HG       SER  57   3.051   3.817 -14.257
  399    H    SER  58           H        SER  58   1.057   7.799 -14.415
  400    HA   SER  58           HA       SER  58  -1.012   5.984 -13.590
  401    HB2  SER  58           1HB      SER  58  -0.841   8.747 -12.443
  402    HB3  SER  58           2HB      SER  58  -2.424   8.043 -12.771
  403    HG   SER  58           HG       SER  58  -0.644   6.400 -11.441
  404    H    GLY  59           H        GLY  59  -3.092   6.471 -14.642
  405    HA2  GLY  59           1HA      GLY  59  -4.343   7.039 -16.481
  406    HA3  GLY  59           2HA      GLY  59  -3.387   8.511 -16.565
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  44.715   0.179   1.625
    2    HA2  GLY   1           1HA      GLY   1  43.433  -1.754   1.767
    3    HA3  GLY   1           2HA      GLY   1  44.142  -2.075   3.342
    4    H    SER   2           H        SER   2  41.575  -2.618   3.194
    5    HA   SER   2           HA       SER   2  40.393  -0.788   5.047
    6    HB2  SER   2           1HB      SER   2  39.434  -0.854   2.199
    7    HB3  SER   2           2HB      SER   2  38.309  -0.506   3.512
    8    HG   SER   2           HG       SER   2  40.628   0.920   3.696
    9    H    SER   3           H        SER   3  37.948  -1.476   5.347
   10    HA   SER   3           HA       SER   3  37.742  -4.398   5.089
   11    HB2  SER   3           1HB      SER   3  38.501  -3.942   7.362
   12    HB3  SER   3           2HB      SER   3  37.190  -2.786   7.593
   13    HG   SER   3           HG       SER   3  35.936  -4.389   8.080
   14    H    GLY   4           H        GLY   4  35.874  -5.024   4.229
   15    HA2  GLY   4           1HA      GLY   4  33.422  -3.566   4.783
   16    HA3  GLY   4           2HA      GLY   4  33.956  -3.528   3.109
   17    H    SER   5           H        SER   5  31.516  -4.589   3.733
   18    HA   SER   5           HA       SER   5  31.960  -7.480   3.360
   19    HB2  SER   5           1HB      SER   5  30.880  -7.236   5.469
   20    HB3  SER   5           2HB      SER   5  29.751  -6.040   4.833
   21    HG   SER   5           HG       SER   5  28.723  -7.638   3.684
   22    H    SER   6           H        SER   6  30.719  -8.545   1.820
   23    HA   SER   6           HA       SER   6  29.034  -6.863   0.096
   24    HB2  SER   6           1HB      SER   6  31.351  -8.601  -0.705
   25    HB3  SER   6           2HB      SER   6  30.031  -8.298  -1.834
   26    HG   SER   6           HG       SER   6  30.952  -6.033  -0.604
   27    H    GLY   7           H        GLY   7  27.056  -7.688   0.075
   28    HA2  GLY   7           1HA      GLY   7  26.639 -10.488  -0.495
   29    HA3  GLY   7           2HA      GLY   7  26.142 -10.013   1.122
   30    H    SER   8           H        SER   8  25.118  -7.486   0.635
   31    HA   SER   8           HA       SER   8  23.203  -6.427   0.015
   32    HB2  SER   8           1HB      SER   8  23.383  -8.174  -2.452
   33    HB3  SER   8           2HB      SER   8  22.411  -6.713  -2.283
   34    HG   SER   8           HG       SER   8  24.496  -5.649  -1.821
   35    HA   PRO   9           HA       PRO   9  20.895 -10.420   1.168
   36    HB2  PRO   9           1HB      PRO   9  20.743  -9.991   3.845
   37    HB3  PRO   9           2HB      PRO   9  22.072 -10.877   3.088
   38    HG2  PRO   9           1HG      PRO   9  21.967  -8.024   3.988
   39    HG3  PRO   9           2HG      PRO   9  23.268  -9.213   4.187
   40    HD2  PRO   9           1HD      PRO   9  23.320  -7.304   2.268
   41    HD3  PRO   9           2HD      PRO   9  24.045  -8.908   2.039
   42    H    GLU  10           H        GLU  10  20.666  -7.026   1.805
   43    HA   GLU  10           HA       GLU  10  18.031  -6.975   2.854
   44    HB2  GLU  10           1HB      GLU  10  19.818  -4.922   1.586
   45    HB3  GLU  10           2HB      GLU  10  18.145  -4.537   1.966
   46    HG2  GLU  10           1HG      GLU  10  18.714  -5.381   4.329
   47    HG3  GLU  10           2HG      GLU  10  20.393  -5.196   3.825
   48    H    GLY  11           H        GLY  11  16.325  -5.580   1.578
   49    HA2  GLY  11           1HA      GLY  11  16.245  -6.250  -1.258
   50    HA3  GLY  11           2HA      GLY  11  15.017  -7.001  -0.249
   51    H    GLN  12           H        GLN  12  13.251  -5.977  -1.096
   52    HA   GLN  12           HA       GLN  12  13.131  -3.067  -0.659
   53    HB2  GLN  12           1HB      GLN  12  12.256  -4.704  -2.998
   54    HB3  GLN  12           2HB      GLN  12  11.323  -3.275  -2.576
   55    HG2  GLN  12           1HG      GLN  12  12.808  -2.438  -4.111
   56    HG3  GLN  12           2HG      GLN  12  13.623  -2.081  -2.589
   57   HE21  GLN  12          1HE2      GLN  12  15.715  -2.213  -3.052
   58   HE22  GLN  12          2HE2      GLN  12  16.494  -3.564  -3.794
   59    H    LYS  13           H        LYS  13  11.937  -2.825   1.122
   60    HA   LYS  13           HA       LYS  13   9.283  -4.078   1.169
   61    HB2  LYS  13           1HB      LYS  13   9.576  -4.350   3.673
   62    HB3  LYS  13           2HB      LYS  13  10.492  -5.461   2.664
   63    HG2  LYS  13           1HG      LYS  13  12.506  -4.187   3.006
   64    HG3  LYS  13           2HG      LYS  13  11.613  -2.955   3.901
   65    HD2  LYS  13           1HD      LYS  13  10.958  -4.827   5.501
   66    HD3  LYS  13           2HD      LYS  13  12.201  -5.794   4.705
   67    HE2  LYS  13           1HE      LYS  13  13.197  -4.817   6.630
   68    HE3  LYS  13           2HE      LYS  13  13.827  -3.956   5.226
   69    HZ1  LYS  13           3HZ      LYS  13  11.831  -2.377   5.745
   70    HZ2  LYS  13           1HZ      LYS  13  13.288  -2.226   6.590
   71    HZ3  LYS  13           2HZ      LYS  13  11.977  -3.024   7.301
   72    H    VAL  14           H        VAL  14   7.990  -2.362   0.930
   73    HA   VAL  14           HA       VAL  14   8.235  -0.185   2.878
   74    HB   VAL  14           HB       VAL  14   9.253   0.833   1.010
   75   HG11  VAL  14          1HG1      VAL  14   6.997   0.050  -0.805
   76   HG12  VAL  14          2HG1      VAL  14   8.611   0.624  -1.227
   77   HG13  VAL  14          3HG1      VAL  14   8.394  -0.998  -0.568
   78   HG21  VAL  14          3HG2      VAL  14   7.552   2.509   0.257
   79   HG22  VAL  14          1HG2      VAL  14   6.330   1.557   1.101
   80   HG23  VAL  14          2HG2      VAL  14   7.651   2.298   2.005
   81    H    ASP  15           H        ASP  15   6.418  -0.547   4.012
   82    HA   ASP  15           HA       ASP  15   4.211  -0.719   4.537
   83    HB2  ASP  15           1HB      ASP  15   4.094   0.770   1.927
   84    HB3  ASP  15           2HB      ASP  15   2.619   0.325   2.781
   85    H    HIS  16           H        HIS  16   5.256  -3.054   3.671
   86    HA   HIS  16           HA       HIS  16   3.716  -4.213   1.544
   87    HB2  HIS  16           1HB      HIS  16   5.758  -5.198   3.488
   88    HB3  HIS  16           2HB      HIS  16   4.735  -6.380   2.676
   89    HD1  HIS  16           1HD      HIS  16   6.496  -3.277   1.340
   90    HD2  HIS  16           2HD      HIS  16   6.219  -7.364   0.649
   91    HE1  HIS  16           1HE      HIS  16   7.911  -3.712  -0.693
   92    HE2  HIS  16           2HE      HIS  16   7.660  -6.178  -1.142
   93    H    CYS  17           H        CYS  17   1.783  -5.153   1.657
   94    HA   CYS  17           HA       CYS  17   0.142  -4.993   3.900
   95    HB2  CYS  17           1HB      CYS  17  -0.615  -5.269   1.524
   96    HB3  CYS  17           2HB      CYS  17  -0.157  -6.965   1.628
   97    H    ALA  18           H        ALA  18  -0.019  -6.158   5.696
   98    HA   ALA  18           HA       ALA  18   1.691  -8.412   6.137
   99    HB1  ALA  18           3HB      ALA  18  -0.479  -7.269   7.893
  100    HB2  ALA  18           1HB      ALA  18   0.753  -8.432   8.386
  101    HB3  ALA  18           2HB      ALA  18   1.221  -6.798   7.912
  102    H    ARG  19           H        ARG  19  -1.093  -8.208   4.473
  103    HA   ARG  19           HA       ARG  19  -2.128 -10.799   5.400
  104    HB2  ARG  19           1HB      ARG  19  -3.824  -9.096   5.380
  105    HB3  ARG  19           2HB      ARG  19  -3.398  -8.620   3.741
  106    HG2  ARG  19           1HG      ARG  19  -4.241 -10.683   2.858
  107    HG3  ARG  19           2HG      ARG  19  -4.512 -11.315   4.484
  108    HD2  ARG  19           1HD      ARG  19  -6.101  -9.409   4.854
  109    HD3  ARG  19           2HD      ARG  19  -5.933  -9.022   3.142
  110    HE   ARG  19           HE       ARG  19  -6.729 -11.742   3.734
  111   HH11  ARG  19          2HH1      ARG  19  -7.743  -8.502   2.966
  112   HH12  ARG  19          1HH1      ARG  19  -9.296  -8.989   2.372
  113   HH21  ARG  19          2HH2      ARG  19  -8.771 -12.396   2.954
  114   HH22  ARG  19          1HH2      ARG  19  -9.880 -11.204   2.366
  115    H    HIS  20           H        HIS  20  -1.091  -9.034   2.518
  116    HA   HIS  20           HA       HIS  20  -0.901 -11.610   1.099
  117    HB2  HIS  20           1HB      HIS  20  -1.253  -8.873  -0.139
  118    HB3  HIS  20           2HB      HIS  20  -1.240 -10.416  -0.988
  119    HD2  HIS  20           2HD      HIS  20  -3.602 -11.949  -0.712
  120    HE1  HIS  20           1HE      HIS  20  -5.848  -8.824   1.074
  121    HE2  HIS  20           2HE      HIS  20  -5.923 -11.144   0.096
  122    H    GLY  21           H        GLY  21   0.683  -8.609   1.937
  123    HA2  GLY  21           1HA      GLY  21   3.052  -8.529   2.253
  124    HA3  GLY  21           2HA      GLY  21   3.223  -9.780   1.030
  125    H    GLU  22           H        GLU  22   1.137  -8.139  -0.558
  126    HA   GLU  22           HA       GLU  22   2.975  -6.854  -2.255
  127    HB2  GLU  22           1HB      GLU  22  -0.011  -6.863  -2.024
  128    HB3  GLU  22           2HB      GLU  22   0.770  -5.726  -3.114
  129    HG2  GLU  22           1HG      GLU  22   0.642  -8.698  -3.251
  130    HG3  GLU  22           2HG      GLU  22   0.325  -7.499  -4.504
  131    H    LYS  23           H        LYS  23   3.538  -4.728  -2.535
  132    HA   LYS  23           HA       LYS  23   3.621  -3.074  -0.263
  133    HB2  LYS  23           1HB      LYS  23   4.038  -2.331  -3.165
  134    HB3  LYS  23           2HB      LYS  23   4.523  -1.358  -1.782
  135    HG2  LYS  23           1HG      LYS  23   6.301  -2.688  -1.290
  136    HG3  LYS  23           2HG      LYS  23   5.532  -4.143  -1.929
  137    HD2  LYS  23           1HD      LYS  23   7.086  -3.796  -3.564
  138    HD3  LYS  23           2HD      LYS  23   5.768  -2.816  -4.211
  139    HE2  LYS  23           1HE      LYS  23   7.855  -1.647  -2.399
  140    HE3  LYS  23           2HE      LYS  23   8.120  -1.788  -4.136
  141    HZ1  LYS  23           3HZ      LYS  23   7.123   0.373  -3.189
  142    HZ2  LYS  23           1HZ      LYS  23   5.676  -0.500  -3.116
  143    HZ3  LYS  23           2HZ      LYS  23   6.457  -0.281  -4.600
  144    H    LEU  24           H        LEU  24   2.392  -1.394   0.421
  145    HA   LEU  24           HA       LEU  24  -0.219  -1.089  -0.825
  146    HB2  LEU  24           1HB      LEU  24   0.833   0.191   1.691
  147    HB3  LEU  24           2HB      LEU  24  -0.848   0.099   1.170
  148    HG   LEU  24           HG       LEU  24   0.698  -2.407   1.707
  149   HD11  LEU  24          1HD1      LEU  24  -0.802  -1.815   3.996
  150   HD12  LEU  24          2HD1      LEU  24   0.131  -0.363   3.639
  151   HD13  LEU  24          3HD1      LEU  24   0.953  -1.908   3.852
  152   HD21  LEU  24          3HD2      LEU  24  -1.732  -2.075   0.685
  153   HD22  LEU  24          1HD2      LEU  24  -2.156  -1.990   2.394
  154   HD23  LEU  24          2HD2      LEU  24  -1.338  -3.418   1.759
  155    H    LEU  25           H        LEU  25  -0.176   0.237  -2.545
  156    HA   LEU  25           HA       LEU  25   1.076   2.882  -2.196
  157    HB2  LEU  25           1HB      LEU  25   0.624   1.382  -4.771
  158    HB3  LEU  25           2HB      LEU  25   1.397   2.957  -4.604
  159    HG   LEU  25           HG       LEU  25   2.495   0.388  -3.466
  160   HD11  LEU  25          1HD1      LEU  25   2.581   0.163  -5.821
  161   HD12  LEU  25          2HD1      LEU  25   4.190   0.669  -5.306
  162   HD13  LEU  25          3HD1      LEU  25   3.089   1.838  -6.034
  163   HD21  LEU  25          3HD2      LEU  25   3.380   2.133  -2.199
  164   HD22  LEU  25          1HD2      LEU  25   3.472   3.221  -3.585
  165   HD23  LEU  25          2HD2      LEU  25   4.595   1.868  -3.450
  166    H    LEU  26           H        LEU  26  -1.817   1.294  -2.365
  167    HA   LEU  26           HA       LEU  26  -3.203   3.563  -3.621
  168    HB2  LEU  26           1HB      LEU  26  -4.191   0.777  -3.030
  169    HB3  LEU  26           2HB      LEU  26  -5.136   2.054  -3.793
  170    HG   LEU  26           HG       LEU  26  -2.582   1.140  -5.053
  171   HD11  LEU  26          1HD1      LEU  26  -3.648  -0.941  -4.734
  172   HD12  LEU  26          2HD1      LEU  26  -4.013  -0.456  -6.389
  173   HD13  LEU  26          3HD1      LEU  26  -5.233  -0.276  -5.129
  174   HD21  LEU  26          3HD2      LEU  26  -3.452   3.005  -6.135
  175   HD22  LEU  26          1HD2      LEU  26  -5.120   2.470  -5.928
  176   HD23  LEU  26          2HD2      LEU  26  -4.072   1.659  -7.092
  177    H    PHE  27           H        PHE  27  -5.288   4.196  -2.634
  178    HA   PHE  27           HA       PHE  27  -5.352   3.780   0.275
  179    HB2  PHE  27           1HB      PHE  27  -4.269   5.968  -0.293
  180    HB3  PHE  27           2HB      PHE  27  -5.775   6.459  -1.062
  181    HD1  PHE  27           1HD      PHE  27  -7.839   6.680   0.328
  182    HD2  PHE  27           2HD      PHE  27  -3.982   6.113   2.036
  183    HE1  PHE  27           1HE      PHE  27  -8.682   7.493   2.492
  184    HE2  PHE  27           2HE      PHE  27  -4.818   6.924   4.202
  185    HZ   PHE  27           HZ       PHE  27  -7.171   7.614   4.433
  186    H    CYS  28           H        CYS  28  -7.209   2.779   0.669
  187    HA   CYS  28           HA       CYS  28  -9.477   2.950  -1.049
  188    HB2  CYS  28           1HB      CYS  28  -8.835   0.968   0.392
  189    HB3  CYS  28           2HB      CYS  28  -9.433   1.881   1.774
  190    H    GLN  29           H        GLN  29 -11.348   4.086  -0.843
  191    HA   GLN  29           HA       GLN  29 -11.302   6.314   1.036
  192    HB2  GLN  29           1HB      GLN  29 -12.820   5.706  -1.474
  193    HB3  GLN  29           2HB      GLN  29 -13.433   6.919  -0.357
  194    HG2  GLN  29           1HG      GLN  29 -10.593   7.105  -1.194
  195    HG3  GLN  29           2HG      GLN  29 -11.838   7.540  -2.363
  196   HE21  GLN  29          1HE2      GLN  29 -10.826   8.143   0.973
  197   HE22  GLN  29          2HE2      GLN  29 -11.319   9.798   1.009
  198    H    GLU  30           H        GLU  30 -13.306   3.537   0.177
  199    HA   GLU  30           HA       GLU  30 -15.483   4.070   1.852
  200    HB2  GLU  30           1HB      GLU  30 -15.034   2.196   0.027
  201    HB3  GLU  30           2HB      GLU  30 -14.601   1.251   1.445
  202    HG2  GLU  30           1HG      GLU  30 -17.200   2.730   1.288
  203    HG3  GLU  30           2HG      GLU  30 -17.005   1.121   0.595
  204    H    ASP  31           H        ASP  31 -12.406   2.475   2.482
  205    HA   ASP  31           HA       ASP  31 -13.167   2.156   5.303
  206    HB2  ASP  31           1HB      ASP  31 -10.989   0.865   3.654
  207    HB3  ASP  31           2HB      ASP  31 -11.105   0.693   5.404
  208    H    GLY  32           H        GLY  32 -11.071   3.868   3.154
  209    HA2  GLY  32           1HA      GLY  32  -9.723   5.695   3.549
  210    HA3  GLY  32           2HA      GLY  32 -10.273   5.673   5.218
  211    H    LYS  33           H        LYS  33  -8.796   2.890   3.713
  212    HA   LYS  33           HA       LYS  33  -6.306   3.418   5.187
  213    HB2  LYS  33           1HB      LYS  33  -6.248   0.944   5.708
  214    HB3  LYS  33           2HB      LYS  33  -7.455   1.878   6.582
  215    HG2  LYS  33           1HG      LYS  33  -8.784   0.166   5.974
  216    HG3  LYS  33           2HG      LYS  33  -8.935   1.108   4.489
  217    HD2  LYS  33           1HD      LYS  33  -8.427  -0.991   3.670
  218    HD3  LYS  33           2HD      LYS  33  -6.832  -0.238   3.744
  219    HE2  LYS  33           1HE      LYS  33  -7.773  -1.697   6.149
  220    HE3  LYS  33           2HE      LYS  33  -7.325  -2.659   4.741
  221    HZ1  LYS  33           3HZ      LYS  33  -5.623  -0.760   6.250
  222    HZ2  LYS  33           1HZ      LYS  33  -5.186  -1.382   4.739
  223    HZ3  LYS  33           2HZ      LYS  33  -5.397  -2.425   6.054
  224    H    VAL  34           H        VAL  34  -4.423   2.543   4.291
  225    HA   VAL  34           HA       VAL  34  -4.425   2.314   1.455
  226    HB   VAL  34           HB       VAL  34  -1.973   1.578   1.891
  227   HG11  VAL  34          1HG1      VAL  34  -3.096   4.280   2.589
  228   HG12  VAL  34          2HG1      VAL  34  -1.366   3.968   2.436
  229   HG13  VAL  34          3HG1      VAL  34  -2.430   3.743   1.048
  230   HG21  VAL  34          3HG2      VAL  34  -2.483   2.799   4.582
  231   HG22  VAL  34          1HG2      VAL  34  -2.580   1.056   4.332
  232   HG23  VAL  34          2HG2      VAL  34  -1.069   1.910   4.019
  233    H    ILE  35           H        ILE  35  -4.597   0.571   0.201
  234    HA   ILE  35           HA       ILE  35  -4.192  -2.082   1.409
  235    HB   ILE  35           HB       ILE  35  -6.073  -2.985   0.203
  236   HG12  ILE  35          1HG1      ILE  35  -6.611  -0.177  -0.786
  237   HG13  ILE  35          2HG1      ILE  35  -5.889  -1.453  -1.760
  238   HG21  ILE  35          1HG2      ILE  35  -7.878  -1.962   1.407
  239   HG22  ILE  35          2HG2      ILE  35  -6.440  -1.935   2.426
  240   HG23  ILE  35          3HG2      ILE  35  -6.963  -0.467   1.599
  241   HD11  ILE  35          3HD1      ILE  35  -7.920  -2.781  -1.525
  242   HD12  ILE  35          1HD1      ILE  35  -8.642  -1.502  -0.549
  243   HD13  ILE  35          2HD1      ILE  35  -8.252  -1.205  -2.243
  244    H    CYS  36           H        CYS  36  -3.665  -3.777  -0.113
  245    HA   CYS  36           HA       CYS  36  -2.060  -2.748  -2.329
  246    HB2  CYS  36           1HB      CYS  36  -1.023  -4.978  -2.345
  247    HB3  CYS  36           2HB      CYS  36  -0.947  -4.245  -0.746
  248    H    TRP  37           H        TRP  37  -1.921  -4.548  -4.180
  249    HA   TRP  37           HA       TRP  37  -4.237  -4.353  -5.677
  250    HB2  TRP  37           1HB      TRP  37  -2.568  -6.754  -6.164
  251    HB3  TRP  37           2HB      TRP  37  -3.113  -5.512  -7.287
  252    HD1  TRP  37           HD       TRP  37  -0.011  -6.771  -6.319
  253    HE1  TRP  37           1HE      TRP  37   1.850  -4.996  -6.218
  254    HE3  TRP  37           3HE      TRP  37  -2.911  -2.563  -6.177
  255    HZ2  TRP  37           2HZ      TRP  37   2.060  -2.184  -6.094
  256    HZ3  TRP  37           3HZ      TRP  37  -1.801  -0.370  -6.067
  257    HH2  TRP  37           HH       TRP  37   0.633  -0.186  -6.027
  258    H    LEU  38           H        LEU  38  -3.049  -7.287  -4.025
  259    HA   LEU  38           HA       LEU  38  -5.150  -8.974  -4.510
  260    HB2  LEU  38           1HB      LEU  38  -3.341  -8.671  -2.143
  261    HB3  LEU  38           2HB      LEU  38  -4.608  -9.896  -2.155
  262    HG   LEU  38           HG       LEU  38  -2.559 -10.941  -2.786
  263   HD11  LEU  38          1HD1      LEU  38  -3.392 -12.112  -4.517
  264   HD12  LEU  38          2HD1      LEU  38  -3.678 -10.672  -5.494
  265   HD13  LEU  38          3HD1      LEU  38  -4.826 -11.125  -4.234
  266   HD21  LEU  38          3HD2      LEU  38  -1.715  -8.572  -3.672
  267   HD22  LEU  38          1HD2      LEU  38  -2.173  -9.292  -5.215
  268   HD23  LEU  38          2HD2      LEU  38  -0.987 -10.095  -4.185
  269    H    CYS  39           H        CYS  39  -4.933  -6.457  -2.044
  270    HA   CYS  39           HA       CYS  39  -7.393  -7.104  -0.767
  271    HB2  CYS  39           1HB      CYS  39  -5.567  -4.717  -0.726
  272    HB3  CYS  39           2HB      CYS  39  -7.132  -4.661   0.080
  273    H    GLU  40           H        GLU  40  -6.497  -4.415  -2.937
  274    HA   GLU  40           HA       GLU  40  -8.948  -3.232  -3.248
  275    HB2  GLU  40           1HB      GLU  40  -7.005  -2.238  -4.235
  276    HB3  GLU  40           2HB      GLU  40  -6.750  -3.632  -5.275
  277    HG2  GLU  40           1HG      GLU  40  -7.649  -1.928  -6.632
  278    HG3  GLU  40           2HG      GLU  40  -8.942  -3.097  -6.368
  279    H    ARG  41           H        ARG  41  -7.890  -6.291  -4.472
  280    HA   ARG  41           HA       ARG  41 -10.256  -6.518  -6.188
  281    HB2  ARG  41           1HB      ARG  41  -8.674  -7.423  -7.516
  282    HB3  ARG  41           2HB      ARG  41  -7.581  -7.719  -6.171
  283    HG2  ARG  41           1HG      ARG  41  -8.641  -9.774  -5.646
  284    HG3  ARG  41           2HG      ARG  41  -9.980  -9.434  -6.743
  285    HD2  ARG  41           1HD      ARG  41  -8.434  -9.527  -8.644
  286    HD3  ARG  41           2HD      ARG  41  -7.106  -9.883  -7.540
  287    HE   ARG  41           HE       ARG  41  -7.875 -12.048  -7.342
  288   HH11  ARG  41          2HH1      ARG  41 -10.207 -10.099  -9.039
  289   HH12  ARG  41          1HH1      ARG  41 -11.163 -11.453  -9.547
  290   HH21  ARG  41          2HH2      ARG  41  -9.124 -13.838  -8.005
  291   HH22  ARG  41          1HH2      ARG  41 -10.546 -13.579  -8.957
  292    H    SER  42           H        SER  42  -9.097  -7.405  -3.121
  293    HA   SER  42           HA       SER  42 -10.314  -9.889  -2.710
  294    HB2  SER  42           1HB      SER  42 -10.067  -9.465  -0.357
  295    HB3  SER  42           2HB      SER  42  -8.672  -8.758  -1.171
  296    HG   SER  42           HG       SER  42 -10.804  -7.517   0.123
  297    H    GLN  43           H        GLN  43 -12.293 -10.492  -1.804
  298    HA   GLN  43           HA       GLN  43 -14.553  -9.140  -2.707
  299    HB2  GLN  43           1HB      GLN  43 -14.225 -11.224  -0.550
  300    HB3  GLN  43           2HB      GLN  43 -15.796 -10.638  -1.082
  301    HG2  GLN  43           1HG      GLN  43 -15.154 -11.350  -3.405
  302    HG3  GLN  43           2HG      GLN  43 -13.753 -12.144  -2.687
  303   HE21  GLN  43          1HE2      GLN  43 -16.331 -13.042  -4.062
  304   HE22  GLN  43          2HE2      GLN  43 -16.927 -14.291  -3.027
  305    H    GLU  44           H        GLU  44 -12.653  -8.635   0.111
  306    HA   GLU  44           HA       GLU  44 -14.659  -7.352   1.689
  307    HB2  GLU  44           1HB      GLU  44 -11.642  -7.292   1.846
  308    HB3  GLU  44           2HB      GLU  44 -12.704  -6.544   3.031
  309    HG2  GLU  44           1HG      GLU  44 -13.738  -8.853   3.317
  310    HG3  GLU  44           2HG      GLU  44 -12.341  -9.457   2.427
  311    H    HIS  45           H        HIS  45 -11.985  -6.171  -0.334
  312    HA   HIS  45           HA       HIS  45 -13.088  -3.460  -0.155
  313    HB2  HIS  45           1HB      HIS  45 -10.408  -4.482  -1.104
  314    HB3  HIS  45           2HB      HIS  45 -10.911  -2.800  -1.241
  315    HD2  HIS  45           2HD      HIS  45  -9.226  -5.106   1.261
  316    HE1  HIS  45           1HE      HIS  45 -10.400  -1.644   3.414
  317    HE2  HIS  45           2HE      HIS  45  -8.969  -3.717   3.428
  318    H    ARG  46           H        ARG  46 -14.002  -5.841  -1.859
  319    HA   ARG  46           HA       ARG  46 -13.471  -5.311  -4.560
  320    HB2  ARG  46           1HB      ARG  46 -14.723  -7.301  -3.343
  321    HB3  ARG  46           2HB      ARG  46 -16.147  -6.350  -3.744
  322    HG2  ARG  46           1HG      ARG  46 -15.046  -6.326  -6.134
  323    HG3  ARG  46           2HG      ARG  46 -14.255  -7.783  -5.528
  324    HD2  ARG  46           1HD      ARG  46 -16.683  -8.430  -4.797
  325    HD3  ARG  46           2HD      ARG  46 -17.150  -7.256  -6.026
  326    HE   ARG  46           HE       ARG  46 -15.261  -9.031  -7.112
  327   HH11  ARG  46          2HH1      ARG  46 -18.565  -8.960  -6.017
  328   HH12  ARG  46          1HH1      ARG  46 -19.081 -10.226  -7.082
  329   HH21  ARG  46          2HH2      ARG  46 -15.929 -10.698  -8.518
  330   HH22  ARG  46          1HH2      ARG  46 -17.581 -11.214  -8.503
  331    H    GLY  47           H        GLY  47 -14.154  -3.782  -5.923
  332    HA2  GLY  47           1HA      GLY  47 -15.556  -2.183  -6.861
  333    HA3  GLY  47           2HA      GLY  47 -16.688  -2.442  -5.542
  334    H    HIS  48           H        HIS  48 -14.302  -2.047  -3.661
  335    HA   HIS  48           HA       HIS  48 -14.802   0.647  -3.040
  336    HB2  HIS  48           1HB      HIS  48 -12.480  -1.103  -2.207
  337    HB3  HIS  48           2HB      HIS  48 -12.918   0.428  -1.456
  338    HD2  HIS  48           2HD      HIS  48 -16.008  -1.682  -2.182
  339    HE1  HIS  48           1HE      HIS  48 -14.967  -2.387   1.870
  340    HE2  HIS  48           2HE      HIS  48 -16.680  -2.774   0.065
  341    H    HIS  49           H        HIS  49 -13.953   2.494  -3.758
  342    HA   HIS  49           HA       HIS  49 -11.995   2.411  -5.881
  343    HB2  HIS  49           1HB      HIS  49 -13.519   4.680  -4.595
  344    HB3  HIS  49           2HB      HIS  49 -12.359   4.909  -5.900
  345    HD1  HIS  49           1HD      HIS  49 -15.692   5.157  -5.715
  346    HD2  HIS  49           2HD      HIS  49 -13.329   2.537  -7.910
  347    HE1  HIS  49           1HE      HIS  49 -17.138   4.382  -7.621
  348    HE2  HIS  49           2HE      HIS  49 -15.716   2.733  -8.886
  349    H    THR  50           H        THR  50  -9.882   2.813  -5.715
  350    HA   THR  50           HA       THR  50  -8.879   3.953  -3.187
  351    HB   THR  50           HB       THR  50  -6.989   2.508  -3.219
  352    HG1  THR  50           1HG      THR  50  -7.553   0.919  -5.333
  353   HG21  THR  50          3HG2      THR  50  -8.489   1.150  -2.207
  354   HG22  THR  50          1HG2      THR  50  -8.304   0.190  -3.674
  355   HG23  THR  50          2HG2      THR  50  -9.664   1.301  -3.513
  356    H    PHE  51           H        PHE  51  -6.848   5.100  -3.335
  357    HA   PHE  51           HA       PHE  51  -6.233   6.092  -6.036
  358    HB2  PHE  51           1HB      PHE  51  -6.514   7.744  -3.518
  359    HB3  PHE  51           2HB      PHE  51  -5.887   8.352  -5.047
  360    HD1  PHE  51           1HD      PHE  51  -8.887   6.811  -3.498
  361    HD2  PHE  51           2HD      PHE  51  -7.331   9.194  -6.663
  362    HE1  PHE  51           1HE      PHE  51 -11.178   7.346  -4.217
  363    HE2  PHE  51           2HE      PHE  51  -9.619   9.734  -7.386
  364    HZ   PHE  51           HZ       PHE  51 -11.547   8.810  -6.162
  365    HA   PRO  52           HA       PRO  52  -2.041   5.208  -5.054
  366    HB2  PRO  52           1HB      PRO  52  -0.797   6.960  -6.713
  367    HB3  PRO  52           2HB      PRO  52  -1.605   5.498  -7.291
  368    HG2  PRO  52           1HG      PRO  52  -2.599   8.321  -7.253
  369    HG3  PRO  52           2HG      PRO  52  -2.736   7.104  -8.536
  370    HD2  PRO  52           1HD      PRO  52  -4.774   7.679  -6.849
  371    HD3  PRO  52           2HD      PRO  52  -4.522   6.057  -7.523
  372    H    THR  53           H        THR  53  -2.363   6.121  -2.855
  373    HA   THR  53           HA       THR  53  -1.840   8.830  -2.261
  374    HB   THR  53           HB       THR  53  -2.959   7.436  -0.633
  375    HG1  THR  53           1HG      THR  53  -0.738   8.886  -0.085
  376   HG21  THR  53          3HG2      THR  53  -1.413   5.787   0.658
  377   HG22  THR  53          1HG2      THR  53  -0.460   5.799  -0.825
  378   HG23  THR  53          2HG2      THR  53  -2.144   5.277  -0.863
  379    H    SER  54           H        SER  54   0.237   6.042  -2.691
  380    HA   SER  54           HA       SER  54   2.585   7.532  -1.815
  381    HB2  SER  54           1HB      SER  54   1.996   4.672  -2.426
  382    HB3  SER  54           2HB      SER  54   3.659   5.230  -2.605
  383    HG   SER  54           HG       SER  54   2.047   5.420  -0.275
  384    H    GLY  55           H        GLY  55   1.587   5.704  -4.715
  385    HA2  GLY  55           1HA      GLY  55   1.894   7.307  -6.754
  386    HA3  GLY  55           2HA      GLY  55   3.580   7.189  -6.273
  387    HA   PRO  56           HA       PRO  56   1.914   3.375  -8.759
  388    HB2  PRO  56           1HB      PRO  56   1.833   4.276 -11.319
  389    HB3  PRO  56           2HB      PRO  56   0.429   4.306 -10.246
  390    HG2  PRO  56           1HG      PRO  56   2.319   6.516 -10.952
  391    HG3  PRO  56           2HG      PRO  56   0.552   6.557 -10.814
  392    HD2  PRO  56           1HD      PRO  56   2.188   7.463  -8.856
  393    HD3  PRO  56           2HD      PRO  56   0.611   6.724  -8.516
  394    H    SER  57           H        SER  57   3.726   2.201  -8.782
  395    HA   SER  57           HA       SER  57   6.195   3.313  -9.846
  396    HB2  SER  57           1HB      SER  57   7.181   1.149  -9.005
  397    HB3  SER  57           2HB      SER  57   6.421   2.143  -7.762
  398    HG   SER  57           HG       SER  57   4.868   0.700  -7.532
  399    H    SER  58           H        SER  58   4.438   0.233 -10.260
  400    HA   SER  58           HA       SER  58   5.634  -0.035 -12.918
  401    HB2  SER  58           1HB      SER  58   5.612  -1.913 -11.137
  402    HB3  SER  58           2HB      SER  58   3.916  -2.113 -11.579
  403    HG   SER  58           HG       SER  58   6.211  -2.719 -13.008
  404    H    GLY  59           H        GLY  59   2.429  -0.456 -11.399
  405    HA2  GLY  59           1HA      GLY  59   1.179  -0.049 -14.017
  406    HA3  GLY  59           2HA      GLY  59   0.381  -0.653 -12.573
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -5.518 -19.659  -2.010
    2    HA2  GLY   1           1HA      GLY   1  -4.070 -18.611  -3.682
    3    HA3  GLY   1           2HA      GLY   1  -3.931 -17.237  -2.596
    4    H    SER   2           H        SER   2  -1.823 -17.166  -2.100
    5    HA   SER   2           HA       SER   2  -0.536 -19.655  -1.194
    6    HB2  SER   2           1HB      SER   2   0.631 -18.723  -3.082
    7    HB3  SER   2           2HB      SER   2   0.654 -17.122  -2.343
    8    HG   SER   2           HG       SER   2   1.925 -18.149  -0.628
    9    H    SER   3           H        SER   3   0.562 -19.714   0.746
   10    HA   SER   3           HA       SER   3   0.406 -17.324   2.448
   11    HB2  SER   3           1HB      SER   3  -1.448 -19.070   2.874
   12    HB3  SER   3           2HB      SER   3  -0.162 -20.068   3.550
   13    HG   SER   3           HG       SER   3  -0.293 -17.439   4.434
   14    H    GLY   4           H        GLY   4   1.728 -17.696   4.525
   15    HA2  GLY   4           1HA      GLY   4   3.809 -19.584   4.606
   16    HA3  GLY   4           2HA      GLY   4   4.404 -18.137   3.807
   17    H    SER   5           H        SER   5   5.852 -17.579   5.409
   18    HA   SER   5           HA       SER   5   4.734 -17.006   8.066
   19    HB2  SER   5           1HB      SER   5   7.110 -16.921   8.811
   20    HB3  SER   5           2HB      SER   5   6.662 -18.482   8.122
   21    HG   SER   5           HG       SER   5   8.609 -16.840   7.359
   22    H    SER   6           H        SER   6   5.941 -15.089   9.159
   23    HA   SER   6           HA       SER   6   6.364 -12.892   7.267
   24    HB2  SER   6           1HB      SER   6   4.286 -13.012   9.433
   25    HB3  SER   6           2HB      SER   6   4.981 -11.463   8.956
   26    HG   SER   6           HG       SER   6   3.319 -13.191   7.531
   27    H    GLY   7           H        GLY   7   7.876 -11.421   7.892
   28    HA2  GLY   7           1HA      GLY   7   9.135 -10.229   9.546
   29    HA3  GLY   7           2HA      GLY   7   8.893 -11.576  10.649
   30    H    SER   8           H        SER   8  10.593 -10.554   7.729
   31    HA   SER   8           HA       SER   8  12.658 -12.569   8.334
   32    HB2  SER   8           1HB      SER   8  11.383 -13.018   6.221
   33    HB3  SER   8           2HB      SER   8  11.983 -11.484   5.590
   34    HG   SER   8           HG       SER   8  13.536 -12.763   4.912
   35    HA   PRO   9           HA       PRO   9  15.290  -9.053   8.891
   36    HB2  PRO   9           1HB      PRO   9  17.634 -10.415   9.037
   37    HB3  PRO   9           2HB      PRO   9  16.464 -10.371  10.361
   38    HG2  PRO   9           1HG      PRO   9  16.913 -12.496   8.301
   39    HG3  PRO   9           2HG      PRO   9  16.630 -12.669  10.043
   40    HD2  PRO   9           1HD      PRO   9  14.678 -13.047   8.204
   41    HD3  PRO   9           2HD      PRO   9  14.351 -12.401   9.826
   42    H    GLU  10           H        GLU  10  15.081 -10.986   6.168
   43    HA   GLU  10           HA       GLU  10  17.086  -9.356   4.749
   44    HB2  GLU  10           1HB      GLU  10  17.750 -11.701   4.800
   45    HB3  GLU  10           2HB      GLU  10  16.187 -12.180   4.152
   46    HG2  GLU  10           1HG      GLU  10  16.755 -10.760   2.130
   47    HG3  GLU  10           2HG      GLU  10  18.397 -10.699   2.768
   48    H    GLY  11           H        GLY  11  15.944  -7.765   3.810
   49    HA2  GLY  11           1HA      GLY  11  14.624  -7.802   1.533
   50    HA3  GLY  11           2HA      GLY  11  13.350  -8.372   2.600
   51    H    GLN  12           H        GLN  12  13.143  -6.034   1.074
   52    HA   GLN  12           HA       GLN  12  13.504  -3.860   3.005
   53    HB2  GLN  12           1HB      GLN  12  12.794  -3.819   0.068
   54    HB3  GLN  12           2HB      GLN  12  12.907  -2.385   1.080
   55    HG2  GLN  12           1HG      GLN  12  14.976  -2.366   0.147
   56    HG3  GLN  12           2HG      GLN  12  15.306  -3.335   1.582
   57   HE21  GLN  12          1HE2      GLN  12  15.085  -3.289  -1.851
   58   HE22  GLN  12          2HE2      GLN  12  15.658  -4.895  -2.128
   59    H    LYS  13           H        LYS  13  11.852  -3.887   4.422
   60    HA   LYS  13           HA       LYS  13   9.147  -4.459   3.571
   61    HB2  LYS  13           1HB      LYS  13  10.342  -3.709   6.241
   62    HB3  LYS  13           2HB      LYS  13   8.621  -3.977   5.998
   63    HG2  LYS  13           1HG      LYS  13  10.642  -6.064   5.264
   64    HG3  LYS  13           2HG      LYS  13  10.027  -5.906   6.911
   65    HD2  LYS  13           1HD      LYS  13   8.457  -7.349   6.162
   66    HD3  LYS  13           2HD      LYS  13   7.708  -5.875   5.543
   67    HE2  LYS  13           1HE      LYS  13   9.708  -6.995   3.741
   68    HE3  LYS  13           2HE      LYS  13   8.373  -8.100   4.064
   69    HZ1  LYS  13           3HZ      LYS  13   7.538  -5.398   3.531
   70    HZ2  LYS  13           1HZ      LYS  13   6.968  -6.855   2.885
   71    HZ3  LYS  13           2HZ      LYS  13   8.343  -6.120   2.230
   72    H    VAL  14           H        VAL  14   8.010  -2.942   2.562
   73    HA   VAL  14           HA       VAL  14   7.985  -0.232   3.685
   74    HB   VAL  14           HB       VAL  14   9.444   0.008   1.811
   75   HG11  VAL  14          1HG1      VAL  14   7.355  -1.274   0.060
   76   HG12  VAL  14          2HG1      VAL  14   8.990  -0.785  -0.391
   77   HG13  VAL  14          3HG1      VAL  14   8.746  -2.136   0.717
   78   HG21  VAL  14          3HG2      VAL  14   8.156   1.902   1.806
   79   HG22  VAL  14          1HG2      VAL  14   7.811   1.291   0.188
   80   HG23  VAL  14          2HG2      VAL  14   6.662   1.018   1.497
   81    H    ASP  15           H        ASP  15   5.960  -0.249   4.491
   82    HA   ASP  15           HA       ASP  15   3.687  -0.493   4.620
   83    HB2  ASP  15           1HB      ASP  15   4.119   0.715   1.892
   84    HB3  ASP  15           2HB      ASP  15   2.508   0.474   2.562
   85    H    HIS  16           H        HIS  16   5.094  -2.870   3.777
   86    HA   HIS  16           HA       HIS  16   3.614  -4.116   1.665
   87    HB2  HIS  16           1HB      HIS  16   5.705  -4.982   3.612
   88    HB3  HIS  16           2HB      HIS  16   4.744  -6.223   2.814
   89    HD1  HIS  16           1HD      HIS  16   6.377  -3.049   1.477
   90    HD2  HIS  16           2HD      HIS  16   6.231  -7.138   0.759
   91    HE1  HIS  16           1HE      HIS  16   7.797  -3.424  -0.564
   92    HE2  HIS  16           2HE      HIS  16   7.625  -5.893  -1.029
   93    H    CYS  17           H        CYS  17   1.734  -5.159   1.771
   94    HA   CYS  17           HA       CYS  17   0.079  -5.086   4.008
   95    HB2  CYS  17           1HB      CYS  17  -0.693  -5.386   1.661
   96    HB3  CYS  17           2HB      CYS  17  -0.085  -7.038   1.703
   97    H    ALA  18           H        ALA  18   0.013  -6.237   5.817
   98    HA   ALA  18           HA       ALA  18   1.833  -8.389   6.273
   99    HB1  ALA  18           3HB      ALA  18   1.230  -6.818   8.044
  100    HB2  ALA  18           1HB      ALA  18  -0.436  -7.393   7.992
  101    HB3  ALA  18           2HB      ALA  18   0.855  -8.478   8.507
  102    H    ARG  19           H        ARG  19  -0.890  -8.388   4.528
  103    HA   ARG  19           HA       ARG  19  -1.706 -11.081   5.402
  104    HB2  ARG  19           1HB      ARG  19  -3.552  -9.552   5.569
  105    HB3  ARG  19           2HB      ARG  19  -3.254  -8.934   3.949
  106    HG2  ARG  19           1HG      ARG  19  -3.945 -11.009   2.966
  107    HG3  ARG  19           2HG      ARG  19  -4.079 -11.763   4.556
  108    HD2  ARG  19           1HD      ARG  19  -5.754  -9.839   5.039
  109    HD3  ARG  19           2HD      ARG  19  -5.828  -9.695   3.284
  110    HE   ARG  19           HE       ARG  19  -6.948 -11.714   3.182
  111   HH11  ARG  19          2HH1      ARG  19  -5.802 -11.125   6.416
  112   HH12  ARG  19          1HH1      ARG  19  -6.737 -12.402   7.120
  113   HH21  ARG  19          2HH2      ARG  19  -8.184 -13.398   4.097
  114   HH22  ARG  19          1HH2      ARG  19  -8.091 -13.695   5.800
  115    H    HIS  20           H        HIS  20  -0.884  -9.068   2.629
  116    HA   HIS  20           HA       HIS  20  -0.610 -11.518   1.014
  117    HB2  HIS  20           1HB      HIS  20  -1.191  -8.714   0.037
  118    HB3  HIS  20           2HB      HIS  20  -1.031 -10.147  -0.974
  119    HD2  HIS  20           2HD      HIS  20  -3.153 -12.109  -0.472
  120    HE1  HIS  20           1HE      HIS  20  -5.814  -9.119   0.935
  121    HE2  HIS  20           2HE      HIS  20  -5.578 -11.518   0.205
  122    H    GLY  21           H        GLY  21   0.880  -8.600   2.155
  123    HA2  GLY  21           1HA      GLY  21   3.190  -8.249   2.336
  124    HA3  GLY  21           2HA      GLY  21   3.456  -9.559   1.195
  125    H    GLU  22           H        GLU  22   1.240  -8.063  -0.440
  126    HA   GLU  22           HA       GLU  22   2.996  -6.842  -2.264
  127    HB2  GLU  22           1HB      GLU  22   0.035  -6.956  -1.931
  128    HB3  GLU  22           2HB      GLU  22   0.699  -5.760  -3.034
  129    HG2  GLU  22           1HG      GLU  22   0.775  -8.736  -3.205
  130    HG3  GLU  22           2HG      GLU  22   0.284  -7.554  -4.418
  131    H    LYS  23           H        LYS  23   3.587  -4.752  -2.621
  132    HA   LYS  23           HA       LYS  23   3.706  -2.978  -0.458
  133    HB2  LYS  23           1HB      LYS  23   4.317  -2.816  -3.366
  134    HB3  LYS  23           2HB      LYS  23   4.179  -1.302  -2.481
  135    HG2  LYS  23           1HG      LYS  23   5.806  -2.519  -0.809
  136    HG3  LYS  23           2HG      LYS  23   6.205  -3.463  -2.247
  137    HD2  LYS  23           1HD      LYS  23   6.255  -0.449  -2.120
  138    HD3  LYS  23           2HD      LYS  23   7.671  -1.479  -1.896
  139    HE2  LYS  23           1HE      LYS  23   6.854  -2.483  -4.203
  140    HE3  LYS  23           2HE      LYS  23   6.107  -0.894  -4.358
  141    HZ1  LYS  23           3HZ      LYS  23   8.062  -0.038  -4.894
  142    HZ2  LYS  23           1HZ      LYS  23   8.756  -1.580  -4.838
  143    HZ3  LYS  23           2HZ      LYS  23   8.760  -0.601  -3.459
  144    H    LEU  24           H        LEU  24   2.278  -1.597   0.358
  145    HA   LEU  24           HA       LEU  24  -0.291  -1.259  -0.899
  146    HB2  LEU  24           1HB      LEU  24   0.828  -0.005   1.604
  147    HB3  LEU  24           2HB      LEU  24  -0.859   0.030   1.096
  148    HG   LEU  24           HG       LEU  24   0.554  -2.562   1.639
  149   HD11  LEU  24          1HD1      LEU  24  -0.750  -0.703   3.610
  150   HD12  LEU  24          2HD1      LEU  24   0.873  -1.390   3.667
  151   HD13  LEU  24          3HD1      LEU  24  -0.532  -2.428   3.910
  152   HD21  LEU  24          3HD2      LEU  24  -1.843  -2.077   0.517
  153   HD22  LEU  24          1HD2      LEU  24  -2.303  -2.129   2.219
  154   HD23  LEU  24          2HD2      LEU  24  -1.487  -3.509   1.483
  155    H    LEU  25           H        LEU  25  -0.283   0.032  -2.652
  156    HA   LEU  25           HA       LEU  25   0.888   2.720  -2.353
  157    HB2  LEU  25           1HB      LEU  25   0.425   1.238  -4.933
  158    HB3  LEU  25           2HB      LEU  25   1.264   2.773  -4.722
  159    HG   LEU  25           HG       LEU  25   2.263   0.176  -3.569
  160   HD11  LEU  25          1HD1      LEU  25   2.696   1.411  -6.262
  161   HD12  LEU  25          2HD1      LEU  25   2.342  -0.266  -5.849
  162   HD13  LEU  25          3HD1      LEU  25   3.936   0.407  -5.510
  163   HD21  LEU  25          3HD2      LEU  25   3.736   2.734  -4.165
  164   HD22  LEU  25          1HD2      LEU  25   4.313   1.337  -3.255
  165   HD23  LEU  25          2HD2      LEU  25   3.035   2.355  -2.591
  166    H    LEU  26           H        LEU  26  -1.954   1.117  -2.333
  167    HA   LEU  26           HA       LEU  26  -3.418   3.308  -3.648
  168    HB2  LEU  26           1HB      LEU  26  -4.451   0.559  -2.981
  169    HB3  LEU  26           2HB      LEU  26  -5.262   1.797  -3.938
  170    HG   LEU  26           HG       LEU  26  -2.660   0.583  -4.821
  171   HD11  LEU  26          1HD1      LEU  26  -4.464  -0.700  -6.342
  172   HD12  LEU  26          2HD1      LEU  26  -5.354  -0.614  -4.822
  173   HD13  LEU  26          3HD1      LEU  26  -3.767  -1.380  -4.871
  174   HD21  LEU  26          3HD2      LEU  26  -3.350   1.334  -6.992
  175   HD22  LEU  26          1HD2      LEU  26  -3.489   2.683  -5.865
  176   HD23  LEU  26          2HD2      LEU  26  -4.933   1.809  -6.377
  177    H    PHE  27           H        PHE  27  -5.112   4.313  -2.579
  178    HA   PHE  27           HA       PHE  27  -5.300   3.736   0.305
  179    HB2  PHE  27           1HB      PHE  27  -4.168   5.904  -0.296
  180    HB3  PHE  27           2HB      PHE  27  -5.694   6.434  -0.997
  181    HD1  PHE  27           1HD      PHE  27  -7.699   6.662   0.484
  182    HD2  PHE  27           2HD      PHE  27  -3.778   6.031   2.015
  183    HE1  PHE  27           1HE      PHE  27  -8.435   7.466   2.691
  184    HE2  PHE  27           2HE      PHE  27  -4.507   6.832   4.224
  185    HZ   PHE  27           HZ       PHE  27  -6.838   7.550   4.564
  186    H    CYS  28           H        CYS  28  -7.196   2.885   0.817
  187    HA   CYS  28           HA       CYS  28  -9.481   3.111  -0.906
  188    HB2  CYS  28           1HB      CYS  28  -8.721   1.153   0.699
  189    HB3  CYS  28           2HB      CYS  28  -9.688   2.037   1.875
  190    H    GLN  29           H        GLN  29 -11.256   4.363  -0.686
  191    HA   GLN  29           HA       GLN  29 -11.130   6.495   1.296
  192    HB2  GLN  29           1HB      GLN  29 -12.672   6.073  -1.242
  193    HB3  GLN  29           2HB      GLN  29 -13.194   7.287  -0.082
  194    HG2  GLN  29           1HG      GLN  29 -10.365   7.256  -1.027
  195    HG3  GLN  29           2HG      GLN  29 -11.630   7.944  -2.044
  196   HE21  GLN  29          1HE2      GLN  29 -10.083   9.810  -1.615
  197   HE22  GLN  29          2HE2      GLN  29 -10.472  10.826  -0.272
  198    H    GLU  30           H        GLU  30 -13.228   3.836   0.313
  199    HA   GLU  30           HA       GLU  30 -15.414   4.400   1.967
  200    HB2  GLU  30           1HB      GLU  30 -14.337   1.857   0.783
  201    HB3  GLU  30           2HB      GLU  30 -15.738   1.835   1.844
  202    HG2  GLU  30           1HG      GLU  30 -15.533   3.448  -0.687
  203    HG3  GLU  30           2HG      GLU  30 -16.314   1.873  -0.554
  204    H    ASP  31           H        ASP  31 -12.418   2.651   2.594
  205    HA   ASP  31           HA       ASP  31 -13.236   2.293   5.395
  206    HB2  ASP  31           1HB      ASP  31 -11.019   0.969   3.817
  207    HB3  ASP  31           2HB      ASP  31 -11.352   0.677   5.522
  208    H    GLY  32           H        GLY  32 -11.098   4.022   3.332
  209    HA2  GLY  32           1HA      GLY  32  -9.671   5.768   3.803
  210    HA3  GLY  32           2HA      GLY  32 -10.202   5.678   5.476
  211    H    LYS  33           H        LYS  33  -8.836   2.940   3.787
  212    HA   LYS  33           HA       LYS  33  -6.305   3.301   5.235
  213    HB2  LYS  33           1HB      LYS  33  -6.346   0.801   5.667
  214    HB3  LYS  33           2HB      LYS  33  -7.465   1.768   6.619
  215    HG2  LYS  33           1HG      LYS  33  -8.890   0.127   6.012
  216    HG3  LYS  33           2HG      LYS  33  -9.081   1.156   4.591
  217    HD2  LYS  33           1HD      LYS  33  -8.753  -1.029   3.761
  218    HD3  LYS  33           2HD      LYS  33  -7.213  -0.197   3.536
  219    HE2  LYS  33           1HE      LYS  33  -7.595  -1.656   6.084
  220    HE3  LYS  33           2HE      LYS  33  -7.410  -2.631   4.626
  221    HZ1  LYS  33           3HZ      LYS  33  -5.485  -0.556   4.680
  222    HZ2  LYS  33           1HZ      LYS  33  -5.246  -2.229   4.615
  223    HZ3  LYS  33           2HZ      LYS  33  -5.403  -1.455   6.111
  224    H    VAL  34           H        VAL  34  -4.484   2.371   4.266
  225    HA   VAL  34           HA       VAL  34  -4.591   2.203   1.419
  226    HB   VAL  34           HB       VAL  34  -2.133   1.409   1.779
  227   HG11  VAL  34          1HG1      VAL  34  -1.488   3.812   2.314
  228   HG12  VAL  34          2HG1      VAL  34  -2.530   3.560   0.912
  229   HG13  VAL  34          3HG1      VAL  34  -3.218   4.135   2.432
  230   HG21  VAL  34          3HG2      VAL  34  -2.694   0.947   4.253
  231   HG22  VAL  34          1HG2      VAL  34  -1.164   1.736   3.870
  232   HG23  VAL  34          2HG2      VAL  34  -2.524   2.690   4.461
  233    H    ILE  35           H        ILE  35  -4.685   0.469   0.119
  234    HA   ILE  35           HA       ILE  35  -4.356  -2.199   1.312
  235    HB   ILE  35           HB       ILE  35  -6.244  -3.055   0.051
  236   HG12  ILE  35          1HG1      ILE  35  -6.829  -0.202  -0.757
  237   HG13  ILE  35          2HG1      ILE  35  -6.038  -1.368  -1.811
  238   HG21  ILE  35          1HG2      ILE  35  -6.496  -1.977   2.349
  239   HG22  ILE  35          2HG2      ILE  35  -7.234  -0.620   1.499
  240   HG23  ILE  35          3HG2      ILE  35  -7.966  -2.221   1.407
  241   HD11  ILE  35          3HD1      ILE  35  -7.993  -2.177  -2.441
  242   HD12  ILE  35          1HD1      ILE  35  -8.445  -2.501  -0.767
  243   HD13  ILE  35          2HD1      ILE  35  -8.782  -0.924  -1.483
  244    H    CYS  36           H        CYS  36  -3.752  -3.866  -0.163
  245    HA   CYS  36           HA       CYS  36  -2.248  -2.831  -2.452
  246    HB2  CYS  36           1HB      CYS  36  -1.076  -5.002  -2.398
  247    HB3  CYS  36           2HB      CYS  36  -0.984  -4.167  -0.851
  248    H    TRP  37           H        TRP  37  -2.053  -4.606  -4.269
  249    HA   TRP  37           HA       TRP  37  -4.381  -4.657  -5.709
  250    HB2  TRP  37           1HB      TRP  37  -2.631  -7.020  -6.081
  251    HB3  TRP  37           2HB      TRP  37  -3.227  -5.858  -7.264
  252    HD1  TRP  37           HD       TRP  37  -0.077  -6.962  -6.284
  253    HE1  TRP  37           1HE      TRP  37   1.725  -5.125  -6.291
  254    HE3  TRP  37           3HE      TRP  37  -3.113  -2.849  -6.286
  255    HZ2  TRP  37           2HZ      TRP  37   1.844  -2.304  -6.295
  256    HZ3  TRP  37           3HZ      TRP  37  -2.076  -0.618  -6.290
  257    HH2  TRP  37           HH       TRP  37   0.352  -0.353  -6.294
  258    H    LEU  38           H        LEU  38  -3.051  -7.482  -3.975
  259    HA   LEU  38           HA       LEU  38  -5.089  -9.258  -4.307
  260    HB2  LEU  38           1HB      LEU  38  -3.291  -8.748  -1.964
  261    HB3  LEU  38           2HB      LEU  38  -4.489 -10.040  -1.926
  262    HG   LEU  38           HG       LEU  38  -2.374 -10.988  -2.505
  263   HD11  LEU  38          1HD1      LEU  38  -3.727 -10.813  -5.161
  264   HD12  LEU  38          2HD1      LEU  38  -4.547 -11.579  -3.802
  265   HD13  LEU  38          3HD1      LEU  38  -2.997 -12.205  -4.362
  266   HD21  LEU  38          3HD2      LEU  38  -2.112  -9.401  -5.001
  267   HD22  LEU  38          1HD2      LEU  38  -0.869 -10.140  -3.991
  268   HD23  LEU  38          2HD2      LEU  38  -1.641  -8.638  -3.481
  269    H    CYS  39           H        CYS  39  -4.926  -6.660  -1.907
  270    HA   CYS  39           HA       CYS  39  -7.354  -7.313  -0.600
  271    HB2  CYS  39           1HB      CYS  39  -5.688  -4.806  -0.727
  272    HB3  CYS  39           2HB      CYS  39  -7.196  -4.873   0.179
  273    H    GLU  40           H        GLU  40  -6.605  -4.666  -2.876
  274    HA   GLU  40           HA       GLU  40  -9.117  -3.634  -3.223
  275    HB2  GLU  40           1HB      GLU  40  -7.215  -2.582  -4.247
  276    HB3  GLU  40           2HB      GLU  40  -6.915  -3.988  -5.257
  277    HG2  GLU  40           1HG      GLU  40  -9.047  -3.585  -6.415
  278    HG3  GLU  40           2HG      GLU  40  -9.284  -2.140  -5.434
  279    H    ARG  41           H        ARG  41  -7.711  -6.450  -4.839
  280    HA   ARG  41           HA       ARG  41 -10.039  -6.920  -6.454
  281    HB2  ARG  41           1HB      ARG  41  -8.891  -8.792  -7.314
  282    HB3  ARG  41           2HB      ARG  41  -7.646  -7.585  -7.020
  283    HG2  ARG  41           1HG      ARG  41  -6.781  -8.729  -5.203
  284    HG3  ARG  41           2HG      ARG  41  -8.266  -9.648  -4.950
  285    HD2  ARG  41           1HD      ARG  41  -7.684 -10.541  -7.375
  286    HD3  ARG  41           2HD      ARG  41  -6.052 -10.096  -6.880
  287    HE   ARG  41           HE       ARG  41  -6.828 -11.546  -4.794
  288   HH11  ARG  41          2HH1      ARG  41  -7.169 -12.141  -8.208
  289   HH12  ARG  41          1HH1      ARG  41  -7.115 -13.865  -8.045
  290   HH21  ARG  41          2HH2      ARG  41  -6.755 -13.815  -4.567
  291   HH22  ARG  41          1HH2      ARG  41  -6.881 -14.816  -5.974
  292    H    SER  42           H        SER  42  -9.121  -7.641  -3.252
  293    HA   SER  42           HA       SER  42 -10.591 -10.056  -2.910
  294    HB2  SER  42           1HB      SER  42  -8.705  -9.141  -1.426
  295    HB3  SER  42           2HB      SER  42  -9.937  -8.105  -0.705
  296    HG   SER  42           HG       SER  42  -9.736 -10.917  -0.664
  297    H    GLN  43           H        GLN  43 -12.675 -10.390  -2.377
  298    HA   GLN  43           HA       GLN  43 -14.661  -8.588  -2.942
  299    HB2  GLN  43           1HB      GLN  43 -14.664 -10.951  -1.072
  300    HB3  GLN  43           2HB      GLN  43 -16.122 -10.041  -1.444
  301    HG2  GLN  43           1HG      GLN  43 -16.136 -11.903  -2.873
  302    HG3  GLN  43           2HG      GLN  43 -15.664 -10.529  -3.873
  303   HE21  GLN  43          1HE2      GLN  43 -13.698 -10.512  -4.833
  304   HE22  GLN  43          2HE2      GLN  43 -12.566 -11.814  -4.743
  305    H    GLU  44           H        GLU  44 -12.652  -8.672  -0.179
  306    HA   GLU  44           HA       GLU  44 -14.385  -7.373   1.663
  307    HB2  GLU  44           1HB      GLU  44 -11.362  -7.413   1.615
  308    HB3  GLU  44           2HB      GLU  44 -12.371  -6.986   2.989
  309    HG2  GLU  44           1HG      GLU  44 -12.591  -9.673   1.692
  310    HG3  GLU  44           2HG      GLU  44 -11.344  -9.335   2.891
  311    H    HIS  45           H        HIS  45 -11.932  -6.231  -0.615
  312    HA   HIS  45           HA       HIS  45 -12.870  -3.479  -0.129
  313    HB2  HIS  45           1HB      HIS  45 -10.128  -4.516  -0.831
  314    HB3  HIS  45           2HB      HIS  45 -10.575  -2.828  -1.062
  315    HD2  HIS  45           2HD      HIS  45  -9.105  -5.024   1.619
  316    HE1  HIS  45           1HE      HIS  45 -10.662  -1.627   3.629
  317    HE2  HIS  45           2HE      HIS  45  -9.135  -3.624   3.794
  318    H    ARG  46           H        ARG  46 -13.655  -5.714  -2.079
  319    HA   ARG  46           HA       ARG  46 -12.908  -4.826  -4.674
  320    HB2  ARG  46           1HB      ARG  46 -14.374  -6.459  -5.504
  321    HB3  ARG  46           2HB      ARG  46 -13.802  -7.128  -3.982
  322    HG2  ARG  46           1HG      ARG  46 -15.836  -6.704  -2.901
  323    HG3  ARG  46           2HG      ARG  46 -16.374  -5.598  -4.167
  324    HD2  ARG  46           1HD      ARG  46 -16.241  -7.645  -5.718
  325    HD3  ARG  46           2HD      ARG  46 -16.191  -8.591  -4.231
  326    HE   ARG  46           HE       ARG  46 -18.445  -7.024  -5.229
  327   HH11  ARG  46          2HH1      ARG  46 -17.082  -9.071  -2.764
  328   HH12  ARG  46          1HH1      ARG  46 -18.614  -9.450  -2.049
  329   HH21  ARG  46          2HH2      ARG  46 -20.467  -7.517  -4.297
  330   HH22  ARG  46          1HH2      ARG  46 -20.539  -8.567  -2.922
  331    H    GLY  47           H        GLY  47 -13.912  -3.466  -6.087
  332    HA2  GLY  47           1HA      GLY  47 -15.521  -2.004  -6.908
  333    HA3  GLY  47           2HA      GLY  47 -16.544  -2.407  -5.537
  334    H    HIS  48           H        HIS  48 -14.210  -1.800  -3.711
  335    HA   HIS  48           HA       HIS  48 -14.922   0.848  -3.084
  336    HB2  HIS  48           1HB      HIS  48 -12.428  -0.647  -2.247
  337    HB3  HIS  48           2HB      HIS  48 -13.113   0.767  -1.450
  338    HD2  HIS  48           2HD      HIS  48 -15.982  -1.507  -2.253
  339    HE1  HIS  48           1HE      HIS  48 -14.679  -2.648   1.620
  340    HE2  HIS  48           2HE      HIS  48 -16.463  -2.915  -0.137
  341    H    HIS  49           H        HIS  49 -14.057   2.792  -3.586
  342    HA   HIS  49           HA       HIS  49 -12.265   2.908  -5.844
  343    HB2  HIS  49           1HB      HIS  49 -14.282   4.429  -5.443
  344    HB3  HIS  49           2HB      HIS  49 -13.282   5.261  -4.256
  345    HD1  HIS  49           1HD      HIS  49 -14.344   6.655  -6.826
  346    HD2  HIS  49           2HD      HIS  49 -10.580   4.942  -6.433
  347    HE1  HIS  49           1HE      HIS  49 -12.903   7.797  -8.542
  348    HE2  HIS  49           2HE      HIS  49 -10.653   6.684  -8.343
  349    H    THR  50           H        THR  50 -10.132   2.939  -5.683
  350    HA   THR  50           HA       THR  50  -8.918   4.037  -3.230
  351    HB   THR  50           HB       THR  50  -7.073   2.485  -3.480
  352    HG1  THR  50           1HG      THR  50  -8.199   0.903  -5.414
  353   HG21  THR  50          3HG2      THR  50  -8.599   1.430  -2.138
  354   HG22  THR  50          1HG2      THR  50  -8.530   0.272  -3.466
  355   HG23  THR  50          2HG2      THR  50  -9.855   1.433  -3.375
  356    H    PHE  51           H        PHE  51  -7.013   5.245  -3.436
  357    HA   PHE  51           HA       PHE  51  -6.336   6.083  -6.176
  358    HB2  PHE  51           1HB      PHE  51  -6.441   7.901  -3.762
  359    HB3  PHE  51           2HB      PHE  51  -6.078   8.374  -5.418
  360    HD1  PHE  51           1HD      PHE  51  -8.764   6.739  -3.418
  361    HD2  PHE  51           2HD      PHE  51  -7.768   9.226  -6.725
  362    HE1  PHE  51           1HE      PHE  51 -11.155   7.164  -3.814
  363    HE2  PHE  51           2HE      PHE  51 -10.157   9.655  -7.126
  364    HZ   PHE  51           HZ       PHE  51 -11.854   8.624  -5.669
  365    HA   PRO  52           HA       PRO  52  -2.162   5.190  -5.129
  366    HB2  PRO  52           1HB      PRO  52  -0.882   6.869  -6.835
  367    HB3  PRO  52           2HB      PRO  52  -1.703   5.398  -7.371
  368    HG2  PRO  52           1HG      PRO  52  -2.661   8.234  -7.437
  369    HG3  PRO  52           2HG      PRO  52  -2.803   6.976  -8.679
  370    HD2  PRO  52           1HD      PRO  52  -4.848   7.633  -7.030
  371    HD3  PRO  52           2HD      PRO  52  -4.611   5.986  -7.648
  372    H    THR  53           H        THR  53  -2.497   6.184  -2.965
  373    HA   THR  53           HA       THR  53  -1.952   8.901  -2.452
  374    HB   THR  53           HB       THR  53  -3.082   7.508  -0.801
  375    HG1  THR  53           1HG      THR  53  -0.557   8.433   0.151
  376   HG21  THR  53          3HG2      THR  53  -0.451   6.043  -0.708
  377   HG22  THR  53          1HG2      THR  53  -2.048   5.386  -1.063
  378   HG23  THR  53          2HG2      THR  53  -1.660   5.926   0.571
  379    H    SER  54           H        SER  54   0.117   6.062  -2.672
  380    HA   SER  54           HA       SER  54   2.445   7.814  -2.822
  381    HB2  SER  54           1HB      SER  54   1.977   5.751  -0.707
  382    HB3  SER  54           2HB      SER  54   3.617   5.990  -1.311
  383    HG   SER  54           HG       SER  54   2.853   8.377  -0.902
  384    H    GLY  55           H        GLY  55   3.362   7.313  -4.694
  385    HA2  GLY  55           1HA      GLY  55   4.117   4.587  -5.266
  386    HA3  GLY  55           2HA      GLY  55   2.891   5.220  -6.354
  387    HA   PRO  56           HA       PRO  56   7.380   6.642  -7.368
  388    HB2  PRO  56           1HB      PRO  56   8.214   4.631  -8.990
  389    HB3  PRO  56           2HB      PRO  56   8.519   4.650  -7.249
  390    HG2  PRO  56           1HG      PRO  56   6.401   3.196  -8.785
  391    HG3  PRO  56           2HG      PRO  56   7.406   2.618  -7.443
  392    HD2  PRO  56           1HD      PRO  56   4.846   3.432  -7.100
  393    HD3  PRO  56           2HD      PRO  56   6.090   3.641  -5.851
  394    H    SER  57           H        SER  57   5.376   4.626  -9.530
  395    HA   SER  57           HA       SER  57   5.565   6.761 -11.551
  396    HB2  SER  57           1HB      SER  57   5.300   3.774 -11.797
  397    HB3  SER  57           2HB      SER  57   4.826   4.835 -13.123
  398    HG   SER  57           HG       SER  57   7.210   5.614 -12.247
  399    H    SER  58           H        SER  58   3.742   7.622 -12.420
  400    HA   SER  58           HA       SER  58   1.287   7.221 -10.977
  401    HB2  SER  58           1HB      SER  58   2.179   9.070 -13.168
  402    HB3  SER  58           2HB      SER  58   0.465   8.925 -12.777
  403    HG   SER  58           HG       SER  58   0.892   9.627 -10.710
  404    H    GLY  59           H        GLY  59   2.395   6.684 -14.309
  405    HA2  GLY  59           1HA      GLY  59   0.200   4.744 -14.619
  406    HA3  GLY  59           2HA      GLY  59   0.473   5.962 -15.857
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -3.827 -17.901 -10.029
    2    HA2  GLY   1           1HA      GLY   1  -4.013 -20.518 -10.454
    3    HA3  GLY   1           2HA      GLY   1  -3.239 -20.014 -11.950
    4    H    SER   2           H        SER   2  -1.092 -19.449 -11.952
    5    HA   SER   2           HA       SER   2   0.466 -20.453  -9.764
    6    HB2  SER   2           1HB      SER   2   1.252 -19.079 -12.343
    7    HB3  SER   2           2HB      SER   2   2.410 -19.725 -11.180
    8    HG   SER   2           HG       SER   2   2.143 -21.427 -12.440
    9    H    SER   3           H        SER   3   1.686 -19.347  -8.296
   10    HA   SER   3           HA       SER   3   1.609 -16.412  -8.376
   11    HB2  SER   3           1HB      SER   3   0.668 -18.206  -6.160
   12    HB3  SER   3           2HB      SER   3   1.324 -16.613  -5.784
   13    HG   SER   3           HG       SER   3  -0.775 -16.206  -6.090
   14    H    GLY   4           H        GLY   4   3.222 -15.397  -6.958
   15    HA2  GLY   4           1HA      GLY   4   5.627 -17.094  -6.772
   16    HA3  GLY   4           2HA      GLY   4   5.642 -15.356  -7.028
   17    H    SER   5           H        SER   5   7.246 -16.262  -5.106
   18    HA   SER   5           HA       SER   5   6.043 -16.475  -2.541
   19    HB2  SER   5           1HB      SER   5   8.260 -17.384  -2.919
   20    HB3  SER   5           2HB      SER   5   8.878 -15.791  -3.354
   21    HG   SER   5           HG       SER   5   7.665 -15.813  -0.914
   22    H    SER   6           H        SER   6   5.539 -14.962  -1.056
   23    HA   SER   6           HA       SER   6   5.632 -12.177  -1.915
   24    HB2  SER   6           1HB      SER   6   4.275 -13.361   0.517
   25    HB3  SER   6           2HB      SER   6   4.021 -11.751  -0.157
   26    HG   SER   6           HG       SER   6   2.450 -12.757  -1.156
   27    H    GLY   7           H        GLY   7   7.157 -10.833  -1.234
   28    HA2  GLY   7           1HA      GLY   7   8.481  -9.732   0.357
   29    HA3  GLY   7           2HA      GLY   7   8.194 -11.054   1.479
   30    H    SER   8           H        SER   8  10.538  -9.564  -0.202
   31    HA   SER   8           HA       SER   8  12.229 -11.956  -0.160
   32    HB2  SER   8           1HB      SER   8  12.154 -10.000  -2.472
   33    HB3  SER   8           2HB      SER   8  13.233 -11.387  -2.319
   34    HG   SER   8           HG       SER   8  11.059 -11.492  -3.546
   35    HA   PRO   9           HA       PRO   9  15.154  -9.346   1.816
   36    HB2  PRO   9           1HB      PRO   9  17.480 -10.515   1.048
   37    HB3  PRO   9           2HB      PRO   9  16.381 -11.244   2.225
   38    HG2  PRO   9           1HG      PRO   9  16.691 -11.831  -0.694
   39    HG3  PRO   9           2HG      PRO   9  16.494 -12.960   0.660
   40    HD2  PRO   9           1HD      PRO   9  14.445 -12.268  -0.969
   41    HD3  PRO   9           2HD      PRO   9  14.212 -12.653   0.748
   42    H    GLU  10           H        GLU  10  14.636  -9.266  -1.434
   43    HA   GLU  10           HA       GLU  10  16.697  -7.199  -1.845
   44    HB2  GLU  10           1HB      GLU  10  15.584  -9.250  -3.742
   45    HB3  GLU  10           2HB      GLU  10  16.338  -7.777  -4.334
   46    HG2  GLU  10           1HG      GLU  10  18.135  -9.159  -4.364
   47    HG3  GLU  10           2HG      GLU  10  18.281  -8.528  -2.724
   48    H    GLY  11           H        GLY  11  15.641  -5.328  -1.500
   49    HA2  GLY  11           1HA      GLY  11  14.134  -3.994  -3.243
   50    HA3  GLY  11           2HA      GLY  11  12.912  -4.986  -2.460
   51    H    GLN  12           H        GLN  12  11.889  -3.065  -1.718
   52    HA   GLN  12           HA       GLN  12  13.174  -1.971   0.685
   53    HB2  GLN  12           1HB      GLN  12  12.080  -0.485  -1.654
   54    HB3  GLN  12           2HB      GLN  12  11.829   0.200  -0.054
   55    HG2  GLN  12           1HG      GLN  12  14.442  -0.404  -1.406
   56    HG3  GLN  12           2HG      GLN  12  13.795   1.171  -0.950
   57   HE21  GLN  12          1HE2      GLN  12  13.291   1.337   1.461
   58   HE22  GLN  12          2HE2      GLN  12  14.503   0.726   2.529
   59    H    LYS  13           H        LYS  13  11.958  -2.624   2.327
   60    HA   LYS  13           HA       LYS  13   9.207  -3.322   2.057
   61    HB2  LYS  13           1HB      LYS  13   9.329  -3.485   4.591
   62    HB3  LYS  13           2HB      LYS  13  10.429  -4.520   3.689
   63    HG2  LYS  13           1HG      LYS  13  12.282  -3.120   4.174
   64    HG3  LYS  13           2HG      LYS  13  11.236  -1.854   4.823
   65    HD2  LYS  13           1HD      LYS  13  11.372  -4.610   6.021
   66    HD3  LYS  13           2HD      LYS  13  12.458  -3.308   6.513
   67    HE2  LYS  13           1HE      LYS  13  10.489  -1.929   7.078
   68    HE3  LYS  13           2HE      LYS  13   9.444  -3.285   6.658
   69    HZ1  LYS  13           3HZ      LYS  13  11.361  -4.214   8.459
   70    HZ2  LYS  13           1HZ      LYS  13   9.695  -4.045   8.705
   71    HZ3  LYS  13           2HZ      LYS  13  10.740  -2.773   9.092
   72    H    VAL  14           H        VAL  14   7.785  -1.745   1.614
   73    HA   VAL  14           HA       VAL  14   7.629   0.502   3.500
   74    HB   VAL  14           HB       VAL  14   8.600   1.578   1.654
   75   HG11  VAL  14          1HG1      VAL  14   8.087  -0.460   0.144
   76   HG12  VAL  14          2HG1      VAL  14   6.630   0.436  -0.289
   77   HG13  VAL  14          3HG1      VAL  14   8.220   1.137  -0.592
   78   HG21  VAL  14          3HG2      VAL  14   6.627   2.740   2.504
   79   HG22  VAL  14          1HG2      VAL  14   6.833   3.024   0.776
   80   HG23  VAL  14          2HG2      VAL  14   5.613   1.884   1.343
   81    H    ASP  15           H        ASP  15   5.822  -0.082   4.568
   82    HA   ASP  15           HA       ASP  15   3.636  -0.548   4.997
   83    HB2  ASP  15           1HB      ASP  15   3.404   0.905   2.364
   84    HB3  ASP  15           2HB      ASP  15   1.990   0.359   3.262
   85    H    HIS  16           H        HIS  16   4.983  -2.732   4.149
   86    HA   HIS  16           HA       HIS  16   3.763  -4.036   1.926
   87    HB2  HIS  16           1HB      HIS  16   5.668  -4.804   4.081
   88    HB3  HIS  16           2HB      HIS  16   4.812  -6.102   3.253
   89    HD1  HIS  16           1HD      HIS  16   6.495  -2.937   1.954
   90    HD2  HIS  16           2HD      HIS  16   6.474  -7.048   1.354
   91    HE1  HIS  16           1HE      HIS  16   8.092  -3.348   0.055
   92    HE2  HIS  16           2HE      HIS  16   7.997  -5.833  -0.346
   93    H    CYS  17           H        CYS  17   1.876  -5.055   1.825
   94    HA   CYS  17           HA       CYS  17   0.016  -5.072   3.901
   95    HB2  CYS  17           1HB      CYS  17  -0.436  -5.316   1.419
   96    HB3  CYS  17           2HB      CYS  17   0.023  -7.008   1.584
   97    H    ALA  18           H        ALA  18  -0.019  -6.207   5.714
   98    HA   ALA  18           HA       ALA  18   1.694  -8.426   6.183
   99    HB1  ALA  18           3HB      ALA  18   0.904  -8.405   8.376
  100    HB2  ALA  18           1HB      ALA  18   0.774  -6.721   7.870
  101    HB3  ALA  18           2HB      ALA  18  -0.662  -7.744   7.907
  102    H    ARG  19           H        ARG  19  -1.086  -8.256   4.435
  103    HA   ARG  19           HA       ARG  19  -2.074 -10.896   5.227
  104    HB2  ARG  19           1HB      ARG  19  -3.801  -9.248   4.992
  105    HB3  ARG  19           2HB      ARG  19  -3.204  -8.767   3.410
  106    HG2  ARG  19           1HG      ARG  19  -3.966 -10.749   2.401
  107    HG3  ARG  19           2HG      ARG  19  -4.220 -11.536   3.960
  108    HD2  ARG  19           1HD      ARG  19  -5.862  -9.494   4.316
  109    HD3  ARG  19           2HD      ARG  19  -5.882  -9.509   2.553
  110    HE   ARG  19           HE       ARG  19  -6.380 -12.053   3.859
  111   HH11  ARG  19          2HH1      ARG  19  -7.712  -9.197   2.378
  112   HH12  ARG  19          1HH1      ARG  19  -9.251  -9.925   2.054
  113   HH21  ARG  19          2HH2      ARG  19  -8.402 -13.022   3.437
  114   HH22  ARG  19          1HH2      ARG  19  -9.642 -12.100   2.657
  115    H    HIS  20           H        HIS  20  -0.898  -9.147   2.372
  116    HA   HIS  20           HA       HIS  20  -0.389 -11.753   1.092
  117    HB2  HIS  20           1HB      HIS  20  -0.810  -9.132  -0.349
  118    HB3  HIS  20           2HB      HIS  20  -0.738 -10.744  -1.055
  119    HD2  HIS  20           2HD      HIS  20  -3.079 -12.306  -0.689
  120    HE1  HIS  20           1HE      HIS  20  -5.453  -9.053   0.645
  121    HE2  HIS  20           2HE      HIS  20  -5.446 -11.468  -0.069
  122    H    GLY  21           H        GLY  21   0.881  -8.630   1.966
  123    HA2  GLY  21           1HA      GLY  21   3.213  -8.361   2.435
  124    HA3  GLY  21           2HA      GLY  21   3.562  -9.585   1.223
  125    H    GLU  22           H        GLU  22   1.413  -8.061  -0.444
  126    HA   GLU  22           HA       GLU  22   3.220  -6.671  -2.080
  127    HB2  GLU  22           1HB      GLU  22   0.252  -6.890  -1.918
  128    HB3  GLU  22           2HB      GLU  22   0.930  -5.596  -2.895
  129    HG2  GLU  22           1HG      GLU  22   0.983  -8.524  -3.320
  130    HG3  GLU  22           2HG      GLU  22   0.757  -7.213  -4.476
  131    H    LYS  23           H        LYS  23   3.699  -4.519  -2.329
  132    HA   LYS  23           HA       LYS  23   3.611  -2.891  -0.017
  133    HB2  LYS  23           1HB      LYS  23   4.215  -2.044  -2.855
  134    HB3  LYS  23           2HB      LYS  23   4.671  -1.190  -1.387
  135    HG2  LYS  23           1HG      LYS  23   6.393  -2.597  -0.935
  136    HG3  LYS  23           2HG      LYS  23   5.597  -3.989  -1.673
  137    HD2  LYS  23           1HD      LYS  23   7.332  -3.534  -3.151
  138    HD3  LYS  23           2HD      LYS  23   5.954  -2.721  -3.897
  139    HE2  LYS  23           1HE      LYS  23   7.471  -1.030  -4.019
  140    HE3  LYS  23           2HE      LYS  23   6.830  -0.705  -2.409
  141    HZ1  LYS  23           3HZ      LYS  23   8.779  -1.181  -1.474
  142    HZ2  LYS  23           1HZ      LYS  23   9.446  -1.073  -3.025
  143    HZ3  LYS  23           2HZ      LYS  23   9.002  -2.580  -2.399
  144    H    LEU  24           H        LEU  24   1.911  -1.829   0.738
  145    HA   LEU  24           HA       LEU  24  -0.455  -1.394  -0.760
  146    HB2  LEU  24           1HB      LEU  24   0.352  -0.036   1.803
  147    HB3  LEU  24           2HB      LEU  24  -1.282  -0.249   1.177
  148    HG   LEU  24           HG       LEU  24   0.364  -2.658   1.812
  149   HD11  LEU  24          1HD1      LEU  24  -1.045  -2.324   4.094
  150   HD12  LEU  24          2HD1      LEU  24  -0.596  -0.657   3.737
  151   HD13  LEU  24          3HD1      LEU  24   0.654  -1.890   3.903
  152   HD21  LEU  24          3HD2      LEU  24  -1.593  -3.747   1.670
  153   HD22  LEU  24          1HD2      LEU  24  -2.135  -2.312   0.800
  154   HD23  LEU  24          2HD2      LEU  24  -2.476  -2.480   2.523
  155    H    LEU  25           H        LEU  25  -0.409  -0.060  -2.467
  156    HA   LEU  25           HA       LEU  25   0.736   2.627  -2.079
  157    HB2  LEU  25           1HB      LEU  25   0.360   1.205  -4.705
  158    HB3  LEU  25           2HB      LEU  25   1.213   2.721  -4.421
  159    HG   LEU  25           HG       LEU  25   2.135   0.096  -3.273
  160   HD11  LEU  25          1HD1      LEU  25   3.148  -0.494  -5.176
  161   HD12  LEU  25          2HD1      LEU  25   3.616   1.164  -5.553
  162   HD13  LEU  25          3HD1      LEU  25   1.998   0.591  -5.957
  163   HD21  LEU  25          3HD2      LEU  25   3.205   2.870  -3.448
  164   HD22  LEU  25          1HD2      LEU  25   4.335   1.516  -3.483
  165   HD23  LEU  25          2HD2      LEU  25   3.250   1.723  -2.108
  166    H    LEU  26           H        LEU  26  -2.101   0.963  -2.301
  167    HA   LEU  26           HA       LEU  26  -3.521   3.188  -3.598
  168    HB2  LEU  26           1HB      LEU  26  -4.499   0.395  -3.028
  169    HB3  LEU  26           2HB      LEU  26  -5.376   1.648  -3.904
  170    HG   LEU  26           HG       LEU  26  -4.611   0.353  -5.633
  171   HD11  LEU  26          1HD1      LEU  26  -2.088   1.914  -5.452
  172   HD12  LEU  26          2HD1      LEU  26  -3.616   2.790  -5.540
  173   HD13  LEU  26          3HD1      LEU  26  -3.170   1.664  -6.822
  174   HD21  LEU  26          3HD2      LEU  26  -1.878  -0.176  -5.180
  175   HD22  LEU  26          1HD2      LEU  26  -3.220  -1.320  -5.204
  176   HD23  LEU  26          2HD2      LEU  26  -2.733  -0.564  -3.687
  177    H    PHE  27           H        PHE  27  -4.725   4.502  -2.397
  178    HA   PHE  27           HA       PHE  27  -5.154   3.821   0.415
  179    HB2  PHE  27           1HB      PHE  27  -4.087   6.009  -0.252
  180    HB3  PHE  27           2HB      PHE  27  -5.638   6.478  -0.939
  181    HD1  PHE  27           1HD      PHE  27  -7.644   6.598   0.592
  182    HD2  PHE  27           2HD      PHE  27  -3.650   6.270   2.027
  183    HE1  PHE  27           1HE      PHE  27  -8.371   7.421   2.794
  184    HE2  PHE  27           2HE      PHE  27  -4.371   7.092   4.231
  185    HZ   PHE  27           HZ       PHE  27  -6.734   7.668   4.617
  186    H    CYS  28           H        CYS  28  -6.993   2.775   0.804
  187    HA   CYS  28           HA       CYS  28  -9.296   2.989  -0.873
  188    HB2  CYS  28           1HB      CYS  28  -8.456   1.035   0.707
  189    HB3  CYS  28           2HB      CYS  28  -9.474   1.857   1.884
  190    H    GLN  29           H        GLN  29 -10.946   4.366  -0.751
  191    HA   GLN  29           HA       GLN  29 -10.947   6.388   1.318
  192    HB2  GLN  29           1HB      GLN  29 -12.394   5.984  -1.267
  193    HB3  GLN  29           2HB      GLN  29 -13.063   7.099  -0.083
  194    HG2  GLN  29           1HG      GLN  29 -10.196   7.346  -0.842
  195    HG3  GLN  29           2HG      GLN  29 -11.435   7.931  -1.950
  196   HE21  GLN  29          1HE2      GLN  29  -9.475   9.508  -0.625
  197   HE22  GLN  29          2HE2      GLN  29 -10.309  10.620   0.401
  198    H    GLU  30           H        GLU  30 -13.102   3.811   0.185
  199    HA   GLU  30           HA       GLU  30 -15.276   4.256   1.835
  200    HB2  GLU  30           1HB      GLU  30 -14.097   1.697   0.766
  201    HB3  GLU  30           2HB      GLU  30 -15.590   1.725   1.693
  202    HG2  GLU  30           1HG      GLU  30 -16.044   1.683  -0.686
  203    HG3  GLU  30           2HG      GLU  30 -16.607   3.190   0.035
  204    H    ASP  31           H        ASP  31 -12.223   2.665   2.554
  205    HA   ASP  31           HA       ASP  31 -13.104   2.273   5.332
  206    HB2  ASP  31           1HB      ASP  31 -10.836   1.002   3.787
  207    HB3  ASP  31           2HB      ASP  31 -11.132   0.742   5.504
  208    H    GLY  32           H        GLY  32 -10.716   3.818   3.297
  209    HA2  GLY  32           1HA      GLY  32  -9.490   5.734   3.815
  210    HA3  GLY  32           2HA      GLY  32  -9.981   5.564   5.494
  211    H    LYS  33           H        LYS  33  -8.674   2.798   3.903
  212    HA   LYS  33           HA       LYS  33  -6.091   3.238   5.252
  213    HB2  LYS  33           1HB      LYS  33  -6.003   0.886   5.827
  214    HB3  LYS  33           2HB      LYS  33  -7.485   1.588   6.462
  215    HG2  LYS  33           1HG      LYS  33  -8.818   0.373   5.086
  216    HG3  LYS  33           2HG      LYS  33  -7.623   0.325   3.787
  217    HD2  LYS  33           1HD      LYS  33  -6.983  -1.114   6.305
  218    HD3  LYS  33           2HD      LYS  33  -8.215  -1.814   5.253
  219    HE2  LYS  33           1HE      LYS  33  -6.726  -2.311   3.615
  220    HE3  LYS  33           2HE      LYS  33  -5.721  -0.903   3.952
  221    HZ1  LYS  33           3HZ      LYS  33  -4.750  -2.007   5.805
  222    HZ2  LYS  33           1HZ      LYS  33  -4.670  -3.070   4.492
  223    HZ3  LYS  33           2HZ      LYS  33  -5.835  -3.300   5.696
  224    H    VAL  34           H        VAL  34  -4.251   2.301   4.265
  225    HA   VAL  34           HA       VAL  34  -4.374   2.278   1.399
  226    HB   VAL  34           HB       VAL  34  -1.874   1.523   1.774
  227   HG11  VAL  34          1HG1      VAL  34  -1.244   3.753   1.624
  228   HG12  VAL  34          2HG1      VAL  34  -2.903   3.771   1.022
  229   HG13  VAL  34          3HG1      VAL  34  -2.556   4.297   2.669
  230   HG21  VAL  34          3HG2      VAL  34  -2.356   1.094   4.225
  231   HG22  VAL  34          1HG2      VAL  34  -0.942   2.087   3.871
  232   HG23  VAL  34          2HG2      VAL  34  -2.437   2.845   4.418
  233    H    ILE  35           H        ILE  35  -5.109   0.562   0.333
  234    HA   ILE  35           HA       ILE  35  -4.512  -2.122   1.374
  235    HB   ILE  35           HB       ILE  35  -6.331  -2.941  -0.016
  236   HG12  ILE  35          1HG1      ILE  35  -6.724  -0.053  -0.829
  237   HG13  ILE  35          2HG1      ILE  35  -6.078  -1.321  -1.865
  238   HG21  ILE  35          1HG2      ILE  35  -7.517  -2.520   1.817
  239   HG22  ILE  35          2HG2      ILE  35  -6.640  -1.020   2.115
  240   HG23  ILE  35          3HG2      ILE  35  -8.044  -1.024   1.048
  241   HD11  ILE  35          3HD1      ILE  35  -8.865  -0.920  -0.881
  242   HD12  ILE  35          1HD1      ILE  35  -8.282  -1.195  -2.522
  243   HD13  ILE  35          2HD1      ILE  35  -8.311  -2.523  -1.362
  244    H    CYS  36           H        CYS  36  -4.291  -3.818  -0.407
  245    HA   CYS  36           HA       CYS  36  -2.575  -2.750  -2.554
  246    HB2  CYS  36           1HB      CYS  36  -1.132  -4.618  -2.352
  247    HB3  CYS  36           2HB      CYS  36  -1.424  -4.069  -0.705
  248    H    TRP  37           H        TRP  37  -2.469  -4.083  -4.507
  249    HA   TRP  37           HA       TRP  37  -4.780  -4.483  -5.802
  250    HB2  TRP  37           1HB      TRP  37  -2.883  -6.653  -6.388
  251    HB3  TRP  37           2HB      TRP  37  -3.536  -5.407  -7.448
  252    HD1  TRP  37           HD       TRP  37  -0.393  -6.429  -5.847
  253    HE1  TRP  37           1HE      TRP  37   1.360  -4.549  -5.984
  254    HE3  TRP  37           3HE      TRP  37  -3.447  -2.570  -7.234
  255    HZ2  TRP  37           2HZ      TRP  37   1.438  -1.795  -6.598
  256    HZ3  TRP  37           3HZ      TRP  37  -2.455  -0.345  -7.575
  257    HH2  TRP  37           HH       TRP  37  -0.063   0.033  -7.263
  258    H    LEU  38           H        LEU  38  -3.113  -7.089  -4.027
  259    HA   LEU  38           HA       LEU  38  -4.949  -9.112  -4.398
  260    HB2  LEU  38           1HB      LEU  38  -2.997  -8.452  -2.255
  261    HB3  LEU  38           2HB      LEU  38  -4.167  -9.735  -1.948
  262    HG   LEU  38           HG       LEU  38  -2.180 -10.775  -2.709
  263   HD11  LEU  38          1HD1      LEU  38  -3.907 -10.646  -5.164
  264   HD12  LEU  38          2HD1      LEU  38  -4.396 -11.501  -3.702
  265   HD13  LEU  38          3HD1      LEU  38  -2.943 -11.997  -4.569
  266   HD21  LEU  38          3HD2      LEU  38  -1.777  -8.399  -4.121
  267   HD22  LEU  38          1HD2      LEU  38  -1.923  -9.656  -5.350
  268   HD23  LEU  38          2HD2      LEU  38  -0.716  -9.808  -4.073
  269    H    CYS  39           H        CYS  39  -5.024  -6.460  -2.084
  270    HA   CYS  39           HA       CYS  39  -7.372  -7.446  -0.740
  271    HB2  CYS  39           1HB      CYS  39  -5.855  -4.841  -0.592
  272    HB3  CYS  39           2HB      CYS  39  -7.312  -5.150   0.346
  273    H    GLU  40           H        GLU  40  -6.704  -4.571  -2.746
  274    HA   GLU  40           HA       GLU  40  -9.261  -3.597  -2.989
  275    HB2  GLU  40           1HB      GLU  40  -7.391  -2.361  -3.861
  276    HB3  GLU  40           2HB      GLU  40  -7.033  -3.628  -5.026
  277    HG2  GLU  40           1HG      GLU  40  -9.669  -2.222  -5.078
  278    HG3  GLU  40           2HG      GLU  40  -8.243  -1.490  -5.810
  279    H    ARG  41           H        ARG  41  -7.748  -6.223  -4.787
  280    HA   ARG  41           HA       ARG  41  -9.985  -6.581  -6.553
  281    HB2  ARG  41           1HB      ARG  41  -8.783  -8.435  -7.450
  282    HB3  ARG  41           2HB      ARG  41  -7.607  -7.170  -7.119
  283    HG2  ARG  41           1HG      ARG  41  -6.488  -8.946  -6.260
  284    HG3  ARG  41           2HG      ARG  41  -7.397  -8.467  -4.825
  285    HD2  ARG  41           1HD      ARG  41  -9.197 -10.100  -5.734
  286    HD3  ARG  41           2HD      ARG  41  -7.870 -10.758  -6.690
  287    HE   ARG  41           HE       ARG  41  -7.395 -10.513  -3.837
  288   HH11  ARG  41          2HH1      ARG  41  -8.342 -12.547  -6.499
  289   HH12  ARG  41          1HH1      ARG  41  -8.001 -14.024  -5.661
  290   HH21  ARG  41          2HH2      ARG  41  -6.943 -12.451  -2.723
  291   HH22  ARG  41          1HH2      ARG  41  -7.206 -13.969  -3.513
  292    H    SER  42           H        SER  42  -9.133  -7.641  -3.400
  293    HA   SER  42           HA       SER  42 -10.681 -10.035  -3.357
  294    HB2  SER  42           1HB      SER  42  -8.762  -9.232  -1.758
  295    HB3  SER  42           2HB      SER  42 -10.081  -8.463  -0.875
  296    HG   SER  42           HG       SER  42 -10.918 -10.872  -1.363
  297    H    GLN  43           H        GLN  43 -12.712 -10.404  -2.464
  298    HA   GLN  43           HA       GLN  43 -14.708  -8.559  -2.983
  299    HB2  GLN  43           1HB      GLN  43 -14.850 -11.106  -2.523
  300    HB3  GLN  43           2HB      GLN  43 -15.024 -10.637  -0.837
  301    HG2  GLN  43           1HG      GLN  43 -16.960  -9.208  -1.535
  302    HG3  GLN  43           2HG      GLN  43 -16.840  -9.948  -3.130
  303   HE21  GLN  43          1HE2      GLN  43 -17.911 -10.300   0.098
  304   HE22  GLN  43          2HE2      GLN  43 -18.618 -11.868  -0.066
  305    H    GLU  44           H        GLU  44 -12.666  -8.861  -0.210
  306    HA   GLU  44           HA       GLU  44 -14.245  -7.548   1.707
  307    HB2  GLU  44           1HB      GLU  44 -11.246  -7.731   1.401
  308    HB3  GLU  44           2HB      GLU  44 -12.039  -7.029   2.804
  309    HG2  GLU  44           1HG      GLU  44 -13.202  -9.213   3.139
  310    HG3  GLU  44           2HG      GLU  44 -12.190  -9.878   1.858
  311    H    HIS  45           H        HIS  45 -11.955  -6.313  -0.689
  312    HA   HIS  45           HA       HIS  45 -12.905  -3.590  -0.082
  313    HB2  HIS  45           1HB      HIS  45 -10.197  -4.550  -1.002
  314    HB3  HIS  45           2HB      HIS  45 -10.690  -2.862  -1.114
  315    HD2  HIS  45           2HD      HIS  45  -9.252  -5.318   1.445
  316    HE1  HIS  45           1HE      HIS  45 -10.280  -1.781   3.551
  317    HE2  HIS  45           2HE      HIS  45  -9.012  -3.956   3.631
  318    H    ARG  46           H        ARG  46 -13.627  -5.875  -2.088
  319    HA   ARG  46           HA       ARG  46 -13.095  -4.915  -4.680
  320    HB2  ARG  46           1HB      ARG  46 -13.865  -7.214  -4.175
  321    HB3  ARG  46           2HB      ARG  46 -15.445  -6.572  -3.747
  322    HG2  ARG  46           1HG      ARG  46 -15.294  -5.557  -6.183
  323    HG3  ARG  46           2HG      ARG  46 -14.190  -6.915  -6.412
  324    HD2  ARG  46           1HD      ARG  46 -15.902  -8.467  -5.685
  325    HD3  ARG  46           2HD      ARG  46 -16.999  -7.132  -5.335
  326    HE   ARG  46           HE       ARG  46 -16.334  -8.212  -7.944
  327   HH11  ARG  46          2HH1      ARG  46 -17.792  -5.629  -6.121
  328   HH12  ARG  46          1HH1      ARG  46 -18.761  -5.068  -7.443
  329   HH21  ARG  46          2HH2      ARG  46 -17.605  -7.483  -9.691
  330   HH22  ARG  46          1HH2      ARG  46 -18.655  -6.124  -9.473
  331    H    GLY  47           H        GLY  47 -14.047  -3.408  -5.929
  332    HA2  GLY  47           1HA      GLY  47 -15.580  -1.833  -6.642
  333    HA3  GLY  47           2HA      GLY  47 -16.708  -2.449  -5.444
  334    H    HIS  48           H        HIS  48 -13.645  -1.624  -4.204
  335    HA   HIS  48           HA       HIS  48 -14.809   0.729  -2.914
  336    HB2  HIS  48           1HB      HIS  48 -12.339  -0.898  -2.291
  337    HB3  HIS  48           2HB      HIS  48 -12.799   0.559  -1.414
  338    HD2  HIS  48           2HD      HIS  48 -15.882  -1.524  -2.150
  339    HE1  HIS  48           1HE      HIS  48 -14.597  -2.615   1.744
  340    HE2  HIS  48           2HE      HIS  48 -16.414  -2.838   0.014
  341    H    HIS  49           H        HIS  49 -14.072   2.761  -3.211
  342    HA   HIS  49           HA       HIS  49 -12.561   3.380  -5.507
  343    HB2  HIS  49           1HB      HIS  49 -13.622   4.947  -3.192
  344    HB3  HIS  49           2HB      HIS  49 -12.453   5.708  -4.268
  345    HD1  HIS  49           1HD      HIS  49 -16.000   4.756  -4.005
  346    HD2  HIS  49           2HD      HIS  49 -13.375   6.010  -6.970
  347    HE1  HIS  49           1HE      HIS  49 -17.451   5.449  -5.938
  348    HE2  HIS  49           2HE      HIS  49 -15.838   6.124  -7.751
  349    H    THR  50           H        THR  50 -10.448   3.224  -5.803
  350    HA   THR  50           HA       THR  50  -8.662   3.649  -3.498
  351    HB   THR  50           HB       THR  50  -7.082   2.034  -4.728
  352    HG1  THR  50           1HG      THR  50  -9.508   1.663  -6.108
  353   HG21  THR  50          3HG2      THR  50  -7.659   0.806  -2.960
  354   HG22  THR  50          1HG2      THR  50  -9.001   0.152  -3.898
  355   HG23  THR  50          2HG2      THR  50  -9.243   1.579  -2.891
  356    H    PHE  51           H        PHE  51  -6.833   4.848  -3.839
  357    HA   PHE  51           HA       PHE  51  -6.232   5.739  -6.561
  358    HB2  PHE  51           1HB      PHE  51  -6.403   7.729  -4.304
  359    HB3  PHE  51           2HB      PHE  51  -6.283   8.046  -6.032
  360    HD1  PHE  51           1HD      PHE  51  -8.531   6.678  -3.424
  361    HD2  PHE  51           2HD      PHE  51  -8.200   8.332  -7.331
  362    HE1  PHE  51           1HE      PHE  51 -10.983   6.844  -3.557
  363    HE2  PHE  51           2HE      PHE  51 -10.650   8.502  -7.471
  364    HZ   PHE  51           HZ       PHE  51 -12.045   7.759  -5.582
  365    HA   PRO  52           HA       PRO  52  -2.069   5.143  -5.278
  366    HB2  PRO  52           1HB      PRO  52  -0.809   6.763  -7.055
  367    HB3  PRO  52           2HB      PRO  52  -1.524   5.212  -7.509
  368    HG2  PRO  52           1HG      PRO  52  -2.632   7.974  -7.828
  369    HG3  PRO  52           2HG      PRO  52  -2.650   6.622  -8.975
  370    HD2  PRO  52           1HD      PRO  52  -4.799   7.279  -7.464
  371    HD3  PRO  52           2HD      PRO  52  -4.444   5.607  -7.945
  372    H    THR  53           H        THR  53  -2.480   6.239  -3.203
  373    HA   THR  53           HA       THR  53  -2.170   9.015  -2.848
  374    HB   THR  53           HB       THR  53  -3.192   7.695  -1.105
  375    HG1  THR  53           1HG      THR  53  -2.359   9.298   0.018
  376   HG21  THR  53          3HG2      THR  53  -1.777   6.174   0.294
  377   HG22  THR  53          1HG2      THR  53  -0.511   6.321  -0.924
  378   HG23  THR  53          2HG2      THR  53  -2.061   5.594  -1.347
  379    H    SER  54           H        SER  54   0.145   6.343  -2.723
  380    HA   SER  54           HA       SER  54   2.329   8.242  -2.279
  381    HB2  SER  54           1HB      SER  54   3.715   6.266  -1.850
  382    HB3  SER  54           2HB      SER  54   2.260   6.228  -0.855
  383    HG   SER  54           HG       SER  54   2.876   4.226  -2.014
  384    H    GLY  55           H        GLY  55   1.316   5.697  -4.538
  385    HA2  GLY  55           1HA      GLY  55   1.662   5.592  -6.828
  386    HA3  GLY  55           2HA      GLY  55   2.574   7.091  -6.727
  387    HA   PRO  56           HA       PRO  56   5.339   3.248  -7.232
  388    HB2  PRO  56           1HB      PRO  56   5.988   3.572  -9.848
  389    HB3  PRO  56           2HB      PRO  56   4.607   2.607  -9.313
  390    HG2  PRO  56           1HG      PRO  56   4.669   5.417 -10.344
  391    HG3  PRO  56           2HG      PRO  56   3.529   4.112 -10.721
  392    HD2  PRO  56           1HD      PRO  56   2.949   6.091  -8.966
  393    HD3  PRO  56           2HD      PRO  56   2.318   4.441  -8.788
  394    H    SER  57           H        SER  57   7.313   3.676  -6.492
  395    HA   SER  57           HA       SER  57   8.590   6.214  -7.248
  396    HB2  SER  57           1HB      SER  57   9.114   4.407  -4.875
  397    HB3  SER  57           2HB      SER  57   9.965   5.915  -5.211
  398    HG   SER  57           HG       SER  57   7.621   6.744  -5.259
  399    H    SER  58           H        SER  58   8.561   3.417  -8.569
  400    HA   SER  58           HA       SER  58  11.414   2.807  -8.559
  401    HB2  SER  58           1HB      SER  58   8.951   1.406  -9.495
  402    HB3  SER  58           2HB      SER  58  10.476   1.019 -10.292
  403    HG   SER  58           HG       SER  58  10.615  -0.307  -8.641
  404    H    GLY  59           H        GLY  59   8.869   3.670 -10.895
  405    HA2  GLY  59           1HA      GLY  59  10.257   5.522 -12.352
  406    HA3  GLY  59           2HA      GLY  59  10.733   3.983 -13.056
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  18.237 -24.215 -11.731
    2    HA2  GLY   1           1HA      GLY   1  15.768 -25.272 -11.004
    3    HA3  GLY   1           2HA      GLY   1  17.047 -24.851  -9.875
    4    H    SER   2           H        SER   2  14.922 -24.475  -8.635
    5    HA   SER   2           HA       SER   2  13.198 -22.380  -9.118
    6    HB2  SER   2           1HB      SER   2  12.802 -23.916  -7.293
    7    HB3  SER   2           2HB      SER   2  14.268 -23.384  -6.471
    8    HG   SER   2           HG       SER   2  13.293 -21.585  -5.849
    9    H    SER   3           H        SER   3  16.263 -22.271  -7.314
   10    HA   SER   3           HA       SER   3  16.157 -19.452  -6.901
   11    HB2  SER   3           1HB      SER   3  18.161 -21.610  -6.435
   12    HB3  SER   3           2HB      SER   3  18.741 -19.945  -6.476
   13    HG   SER   3           HG       SER   3  18.179 -20.279  -4.396
   14    H    GLY   4           H        GLY   4  17.955 -17.997  -7.677
   15    HA2  GLY   4           1HA      GLY   4  19.353 -18.562 -10.071
   16    HA3  GLY   4           2HA      GLY   4  17.857 -17.721 -10.448
   17    H    SER   5           H        SER   5  19.636 -16.230 -11.305
   18    HA   SER   5           HA       SER   5  21.063 -14.661  -9.375
   19    HB2  SER   5           1HB      SER   5  20.735 -14.632 -12.340
   20    HB3  SER   5           2HB      SER   5  21.289 -13.152 -11.555
   21    HG   SER   5           HG       SER   5  22.771 -14.872 -10.456
   22    H    SER   6           H        SER   6  20.574 -12.690  -8.545
   23    HA   SER   6           HA       SER   6  18.306 -11.181  -9.532
   24    HB2  SER   6           1HB      SER   6  17.236 -12.789  -8.007
   25    HB3  SER   6           2HB      SER   6  18.318 -12.281  -6.710
   26    HG   SER   6           HG       SER   6  16.411 -11.161  -6.481
   27    H    GLY   7           H        GLY   7  18.595  -9.045  -9.246
   28    HA2  GLY   7           1HA      GLY   7  21.043  -8.010  -8.388
   29    HA3  GLY   7           2HA      GLY   7  19.577  -7.069  -8.621
   30    H    SER   8           H        SER   8  17.897  -7.614  -6.750
   31    HA   SER   8           HA       SER   8  19.372  -7.447  -4.204
   32    HB2  SER   8           1HB      SER   8  18.549  -5.238  -4.745
   33    HB3  SER   8           2HB      SER   8  16.937  -5.873  -5.070
   34    HG   SER   8           HG       SER   8  16.973  -6.571  -2.804
   35    HA   PRO   9           HA       PRO   9  16.780 -11.003  -3.379
   36    HB2  PRO   9           1HB      PRO   9  17.905 -11.571  -0.974
   37    HB3  PRO   9           2HB      PRO   9  18.662 -11.997  -2.514
   38    HG2  PRO   9           1HG      PRO   9  19.217  -9.675  -0.708
   39    HG3  PRO   9           2HG      PRO   9  20.361 -10.725  -1.564
   40    HD2  PRO   9           1HD      PRO   9  19.688  -8.262  -2.467
   41    HD3  PRO   9           2HD      PRO   9  20.093  -9.602  -3.559
   42    H    GLU  10           H        GLU  10  17.216  -8.144  -1.440
   43    HA   GLU  10           HA       GLU  10  14.626  -8.676  -0.141
   44    HB2  GLU  10           1HB      GLU  10  16.851  -8.682   1.282
   45    HB3  GLU  10           2HB      GLU  10  16.659  -6.937   1.188
   46    HG2  GLU  10           1HG      GLU  10  14.395  -7.169   2.143
   47    HG3  GLU  10           2HG      GLU  10  14.677  -8.901   2.316
   48    H    GLY  11           H        GLY  11  13.221  -7.407  -1.190
   49    HA2  GLY  11           1HA      GLY  11  13.975  -4.875  -2.318
   50    HA3  GLY  11           2HA      GLY  11  12.360  -5.566  -2.291
   51    H    GLN  12           H        GLN  12  13.272  -2.821  -1.732
   52    HA   GLN  12           HA       GLN  12  13.231  -2.247   1.008
   53    HB2  GLN  12           1HB      GLN  12  12.629  -0.673  -1.465
   54    HB3  GLN  12           2HB      GLN  12  12.268   0.024   0.108
   55    HG2  GLN  12           1HG      GLN  12  14.974  -1.047  -0.639
   56    HG3  GLN  12           2HG      GLN  12  14.493   0.633  -0.874
   57   HE21  GLN  12          1HE2      GLN  12  14.354   1.987   0.865
   58   HE22  GLN  12          2HE2      GLN  12  14.886   1.555   2.450
   59    H    LYS  13           H        LYS  13  11.670  -3.108   2.256
   60    HA   LYS  13           HA       LYS  13   8.968  -3.426   1.463
   61    HB2  LYS  13           1HB      LYS  13   8.569  -3.904   3.878
   62    HB3  LYS  13           2HB      LYS  13   9.874  -4.852   3.176
   63    HG2  LYS  13           1HG      LYS  13  11.483  -3.201   4.140
   64    HG3  LYS  13           2HG      LYS  13  10.120  -2.459   4.982
   65    HD2  LYS  13           1HD      LYS  13  11.029  -3.921   6.561
   66    HD3  LYS  13           2HD      LYS  13   9.660  -4.814   5.896
   67    HE2  LYS  13           1HE      LYS  13  11.073  -6.163   4.559
   68    HE3  LYS  13           2HE      LYS  13  12.462  -5.117   4.845
   69    HZ1  LYS  13           3HZ      LYS  13  11.650  -7.356   6.313
   70    HZ2  LYS  13           1HZ      LYS  13  11.510  -6.004   7.320
   71    HZ3  LYS  13           2HZ      LYS  13  12.989  -6.358   6.581
   72    H    VAL  14           H        VAL  14   7.745  -1.713   0.976
   73    HA   VAL  14           HA       VAL  14   7.659   0.508   2.913
   74    HB   VAL  14           HB       VAL  14   8.649   1.475   1.016
   75   HG11  VAL  14          1HG1      VAL  14   8.029  -0.537  -0.443
   76   HG12  VAL  14          2HG1      VAL  14   6.554   0.357  -0.819
   77   HG13  VAL  14          3HG1      VAL  14   8.129   1.042  -1.222
   78   HG21  VAL  14          3HG2      VAL  14   6.770   2.774   1.890
   79   HG22  VAL  14          1HG2      VAL  14   6.959   3.014   0.153
   80   HG23  VAL  14          2HG2      VAL  14   5.681   1.963   0.765
   81    H    ASP  15           H        ASP  15   5.847   0.051   4.036
   82    HA   ASP  15           HA       ASP  15   3.649  -0.287   4.524
   83    HB2  ASP  15           1HB      ASP  15   3.413   1.131   1.870
   84    HB3  ASP  15           2HB      ASP  15   2.013   0.719   2.857
   85    H    HIS  16           H        HIS  16   4.837  -2.556   3.667
   86    HA   HIS  16           HA       HIS  16   3.318  -3.776   1.537
   87    HB2  HIS  16           1HB      HIS  16   5.434  -4.788   3.430
   88    HB3  HIS  16           2HB      HIS  16   4.583  -5.862   2.323
   89    HD1  HIS  16           1HD      HIS  16   6.634  -6.391   0.903
   90    HD2  HIS  16           2HD      HIS  16   5.792  -2.330   1.140
   91    HE1  HIS  16           1HE      HIS  16   8.094  -5.300  -0.829
   92    HE2  HIS  16           2HE      HIS  16   7.630  -2.834  -0.608
   93    H    CYS  17           H        CYS  17   1.516  -4.950   1.722
   94    HA   CYS  17           HA       CYS  17  -0.015  -4.970   4.056
   95    HB2  CYS  17           1HB      CYS  17  -0.850  -5.277   1.695
   96    HB3  CYS  17           2HB      CYS  17  -0.271  -6.938   1.777
   97    H    ALA  18           H        ALA  18   0.198  -6.095   5.864
   98    HA   ALA  18           HA       ALA  18   2.082  -8.203   6.145
   99    HB1  ALA  18           3HB      ALA  18   1.839  -7.817   8.327
  100    HB2  ALA  18           1HB      ALA  18   0.770  -6.492   7.865
  101    HB3  ALA  18           2HB      ALA  18   0.095  -8.073   8.261
  102    H    ARG  19           H        ARG  19  -1.064  -8.154   4.955
  103    HA   ARG  19           HA       ARG  19  -1.736 -10.851   5.803
  104    HB2  ARG  19           1HB      ARG  19  -3.562  -9.299   5.739
  105    HB3  ARG  19           2HB      ARG  19  -3.174  -8.825   4.090
  106    HG2  ARG  19           1HG      ARG  19  -3.874 -10.943   3.241
  107    HG3  ARG  19           2HG      ARG  19  -4.054 -11.593   4.871
  108    HD2  ARG  19           1HD      ARG  19  -5.821  -9.911   5.298
  109    HD3  ARG  19           2HD      ARG  19  -5.680  -9.383   3.622
  110    HE   ARG  19           HE       ARG  19  -6.211 -12.196   3.929
  111   HH11  ARG  19          2HH1      ARG  19  -7.603  -9.017   3.657
  112   HH12  ARG  19          1HH1      ARG  19  -9.129  -9.593   3.073
  113   HH21  ARG  19          2HH2      ARG  19  -8.215 -12.967   3.161
  114   HH22  ARG  19          1HH2      ARG  19  -9.477 -11.840   2.792
  115    H    HIS  20           H        HIS  20  -1.319  -9.153   2.693
  116    HA   HIS  20           HA       HIS  20  -0.886 -11.736   1.384
  117    HB2  HIS  20           1HB      HIS  20  -1.211  -8.994   0.149
  118    HB3  HIS  20           2HB      HIS  20  -1.167 -10.527  -0.716
  119    HD2  HIS  20           2HD      HIS  20  -3.514 -12.104  -0.457
  120    HE1  HIS  20           1HE      HIS  20  -5.834  -8.980   1.232
  121    HE2  HIS  20           2HE      HIS  20  -5.862 -11.314   0.287
  122    H    GLY  21           H        GLY  21   0.667  -8.582   1.842
  123    HA2  GLY  21           1HA      GLY  21   3.051  -8.516   2.273
  124    HA3  GLY  21           2HA      GLY  21   3.234  -9.870   1.167
  125    H    GLU  22           H        GLU  22   1.028  -8.008  -0.303
  126    HA   GLU  22           HA       GLU  22   2.893  -7.027  -2.229
  127    HB2  GLU  22           1HB      GLU  22  -0.080  -6.886  -1.894
  128    HB3  GLU  22           2HB      GLU  22   0.709  -5.856  -3.081
  129    HG2  GLU  22           1HG      GLU  22  -0.220  -8.178  -3.776
  130    HG3  GLU  22           2HG      GLU  22   1.325  -7.616  -4.411
  131    H    LYS  23           H        LYS  23   3.250  -4.844  -2.838
  132    HA   LYS  23           HA       LYS  23   3.611  -3.084  -0.630
  133    HB2  LYS  23           1HB      LYS  23   3.770  -2.251  -3.516
  134    HB3  LYS  23           2HB      LYS  23   4.680  -1.630  -2.145
  135    HG2  LYS  23           1HG      LYS  23   5.954  -3.670  -2.008
  136    HG3  LYS  23           2HG      LYS  23   4.978  -4.401  -3.285
  137    HD2  LYS  23           1HD      LYS  23   7.005  -3.673  -4.292
  138    HD3  LYS  23           2HD      LYS  23   5.749  -2.538  -4.792
  139    HE2  LYS  23           1HE      LYS  23   6.480  -0.958  -3.090
  140    HE3  LYS  23           2HE      LYS  23   7.703  -2.100  -2.535
  141    HZ1  LYS  23           3HZ      LYS  23   8.137  -0.169  -4.344
  142    HZ2  LYS  23           1HZ      LYS  23   7.822  -1.488  -5.355
  143    HZ3  LYS  23           2HZ      LYS  23   9.066  -1.576  -4.213
  144    H    LEU  24           H        LEU  24   2.210  -1.702   0.222
  145    HA   LEU  24           HA       LEU  24  -0.351  -1.263  -1.026
  146    HB2  LEU  24           1HB      LEU  24   0.790  -0.105   1.512
  147    HB3  LEU  24           2HB      LEU  24  -0.895  -0.027   1.002
  148    HG   LEU  24           HG       LEU  24   0.493  -2.644   1.512
  149   HD11  LEU  24          1HD1      LEU  24   0.744  -1.735   3.606
  150   HD12  LEU  24          2HD1      LEU  24  -0.867  -2.440   3.731
  151   HD13  LEU  24          3HD1      LEU  24  -0.682  -0.709   3.453
  152   HD21  LEU  24          3HD2      LEU  24  -1.586  -2.722   0.243
  153   HD22  LEU  24          1HD2      LEU  24  -2.405  -1.806   1.508
  154   HD23  LEU  24          2HD2      LEU  24  -1.800  -3.428   1.845
  155    H    LEU  25           H        LEU  25  -0.360   0.102  -2.710
  156    HA   LEU  25           HA       LEU  25   0.942   2.722  -2.356
  157    HB2  LEU  25           1HB      LEU  25   0.325   1.384  -4.980
  158    HB3  LEU  25           2HB      LEU  25   1.280   2.842  -4.717
  159    HG   LEU  25           HG       LEU  25   2.084   0.079  -3.810
  160   HD11  LEU  25          1HD1      LEU  25   2.699  -0.311  -5.903
  161   HD12  LEU  25          2HD1      LEU  25   3.827   1.039  -5.780
  162   HD13  LEU  25          3HD1      LEU  25   2.198   1.305  -6.401
  163   HD21  LEU  25          3HD2      LEU  25   4.341   1.563  -3.933
  164   HD22  LEU  25          1HD2      LEU  25   3.390   1.325  -2.467
  165   HD23  LEU  25          2HD2      LEU  25   3.172   2.785  -3.432
  166    H    LEU  26           H        LEU  26  -1.984   1.152  -2.520
  167    HA   LEU  26           HA       LEU  26  -3.378   3.472  -3.659
  168    HB2  LEU  26           1HB      LEU  26  -4.352   0.676  -3.093
  169    HB3  LEU  26           2HB      LEU  26  -5.347   1.977  -3.744
  170    HG   LEU  26           HG       LEU  26  -2.883   1.030  -5.173
  171   HD11  LEU  26          1HD1      LEU  26  -5.597  -0.004  -5.861
  172   HD12  LEU  26          2HD1      LEU  26  -4.640  -0.809  -4.618
  173   HD13  LEU  26          3HD1      LEU  26  -4.009  -0.660  -6.258
  174   HD21  LEU  26          3HD2      LEU  26  -5.085   2.886  -5.673
  175   HD22  LEU  26          1HD2      LEU  26  -4.774   1.770  -7.003
  176   HD23  LEU  26          2HD2      LEU  26  -3.479   2.805  -6.399
  177    H    PHE  27           H        PHE  27  -5.307   4.250  -2.580
  178    HA   PHE  27           HA       PHE  27  -5.328   3.738   0.317
  179    HB2  PHE  27           1HB      PHE  27  -4.181   5.896  -0.253
  180    HB3  PHE  27           2HB      PHE  27  -5.698   6.459  -0.946
  181    HD1  PHE  27           1HD      PHE  27  -7.718   6.625   0.562
  182    HD2  PHE  27           2HD      PHE  27  -3.765   6.072   2.037
  183    HE1  PHE  27           1HE      PHE  27  -8.438   7.416   2.777
  184    HE2  PHE  27           2HE      PHE  27  -4.478   6.862   4.255
  185    HZ   PHE  27           HZ       PHE  27  -6.818   7.535   4.628
  186    H    CYS  28           H        CYS  28  -7.209   2.794   0.746
  187    HA   CYS  28           HA       CYS  28  -9.524   3.104  -0.891
  188    HB2  CYS  28           1HB      CYS  28  -8.750   1.129   0.695
  189    HB3  CYS  28           2HB      CYS  28  -9.713   2.006   1.880
  190    H    GLN  29           H        GLN  29 -11.305   4.346  -0.615
  191    HA   GLN  29           HA       GLN  29 -11.126   6.470   1.372
  192    HB2  GLN  29           1HB      GLN  29 -12.701   6.065  -1.144
  193    HB3  GLN  29           2HB      GLN  29 -13.239   7.250   0.039
  194    HG2  GLN  29           1HG      GLN  29 -10.408   7.312  -0.874
  195    HG3  GLN  29           2HG      GLN  29 -11.669   7.928  -1.941
  196   HE21  GLN  29          1HE2      GLN  29  -9.944   9.741  -1.294
  197   HE22  GLN  29          2HE2      GLN  29 -10.517  10.813  -0.067
  198    H    GLU  30           H        GLU  30 -13.279   3.843   0.405
  199    HA   GLU  30           HA       GLU  30 -15.415   4.396   2.117
  200    HB2  GLU  30           1HB      GLU  30 -14.370   1.833   0.936
  201    HB3  GLU  30           2HB      GLU  30 -15.783   1.854   1.982
  202    HG2  GLU  30           1HG      GLU  30 -15.563   3.530  -0.500
  203    HG3  GLU  30           2HG      GLU  30 -16.229   1.898  -0.493
  204    H    ASP  31           H        ASP  31 -12.448   2.554   2.661
  205    HA   ASP  31           HA       ASP  31 -13.197   2.201   5.477
  206    HB2  ASP  31           1HB      ASP  31 -10.990   0.914   3.855
  207    HB3  ASP  31           2HB      ASP  31 -11.313   0.590   5.556
  208    H    GLY  32           H        GLY  32 -11.039   3.908   3.387
  209    HA2  GLY  32           1HA      GLY  32  -9.623   5.667   3.854
  210    HA3  GLY  32           2HA      GLY  32 -10.145   5.577   5.530
  211    H    LYS  33           H        LYS  33  -8.806   2.823   3.855
  212    HA   LYS  33           HA       LYS  33  -6.259   3.186   5.273
  213    HB2  LYS  33           1HB      LYS  33  -6.303   0.696   5.735
  214    HB3  LYS  33           2HB      LYS  33  -7.422   1.671   6.679
  215    HG2  LYS  33           1HG      LYS  33  -8.870   0.053   6.091
  216    HG3  LYS  33           2HG      LYS  33  -9.019   1.026   4.625
  217    HD2  LYS  33           1HD      LYS  33  -8.700  -1.206   3.906
  218    HD3  LYS  33           2HD      LYS  33  -7.158  -0.385   3.654
  219    HE2  LYS  33           1HE      LYS  33  -6.359  -1.310   5.802
  220    HE3  LYS  33           2HE      LYS  33  -7.880  -2.187   5.964
  221    HZ1  LYS  33           3HZ      LYS  33  -6.400  -3.720   5.057
  222    HZ2  LYS  33           1HZ      LYS  33  -5.726  -2.600   3.983
  223    HZ3  LYS  33           2HZ      LYS  33  -7.289  -3.189   3.719
  224    H    VAL  34           H        VAL  34  -4.451   2.387   4.240
  225    HA   VAL  34           HA       VAL  34  -4.579   2.160   1.420
  226    HB   VAL  34           HB       VAL  34  -2.132   1.357   1.735
  227   HG11  VAL  34          1HG1      VAL  34  -1.469   3.743   2.379
  228   HG12  VAL  34          2HG1      VAL  34  -2.486   3.536   0.952
  229   HG13  VAL  34          3HG1      VAL  34  -3.201   4.062   2.476
  230   HG21  VAL  34          3HG2      VAL  34  -1.124   1.729   3.848
  231   HG22  VAL  34          1HG2      VAL  34  -2.588   2.473   4.493
  232   HG23  VAL  34          2HG2      VAL  34  -2.555   0.743   4.149
  233    H    ILE  35           H        ILE  35  -4.653   0.431   0.103
  234    HA   ILE  35           HA       ILE  35  -4.405  -2.245   1.300
  235    HB   ILE  35           HB       ILE  35  -6.270  -3.066  -0.001
  236   HG12  ILE  35          1HG1      ILE  35  -6.740  -0.219  -0.903
  237   HG13  ILE  35          2HG1      ILE  35  -5.949  -1.439  -1.896
  238   HG21  ILE  35          1HG2      ILE  35  -6.656  -2.047   2.245
  239   HG22  ILE  35          2HG2      ILE  35  -7.141  -0.562   1.428
  240   HG23  ILE  35          3HG2      ILE  35  -8.070  -2.042   1.192
  241   HD11  ILE  35          3HD1      ILE  35  -8.154  -1.428  -2.630
  242   HD12  ILE  35          1HD1      ILE  35  -8.069  -2.821  -1.552
  243   HD13  ILE  35          2HD1      ILE  35  -8.798  -1.315  -0.992
  244    H    CYS  36           H        CYS  36  -3.776  -3.920  -0.150
  245    HA   CYS  36           HA       CYS  36  -2.136  -2.923  -2.353
  246    HB2  CYS  36           1HB      CYS  36  -1.112  -5.178  -2.309
  247    HB3  CYS  36           2HB      CYS  36  -1.018  -4.366  -0.749
  248    H    TRP  37           H        TRP  37  -1.942  -4.716  -4.184
  249    HA   TRP  37           HA       TRP  37  -4.256  -4.595  -5.703
  250    HB2  TRP  37           1HB      TRP  37  -2.472  -6.918  -6.178
  251    HB3  TRP  37           2HB      TRP  37  -3.081  -5.713  -7.309
  252    HD1  TRP  37           HD       TRP  37   0.076  -6.801  -6.149
  253    HE1  TRP  37           1HE      TRP  37   1.842  -4.929  -6.129
  254    HE3  TRP  37           3HE      TRP  37  -3.029  -2.752  -6.468
  255    HZ2  TRP  37           2HZ      TRP  37   1.910  -2.109  -6.233
  256    HZ3  TRP  37           3HZ      TRP  37  -2.033  -0.502  -6.502
  257    HH2  TRP  37           HH       TRP  37   0.385  -0.189  -6.386
  258    H    LEU  38           H        LEU  38  -3.053  -7.268  -3.700
  259    HA   LEU  38           HA       LEU  38  -5.030  -9.139  -4.311
  260    HB2  LEU  38           1HB      LEU  38  -3.150  -8.705  -2.060
  261    HB3  LEU  38           2HB      LEU  38  -4.493  -9.814  -1.789
  262    HG   LEU  38           HG       LEU  38  -2.439 -10.979  -2.456
  263   HD11  LEU  38          1HD1      LEU  38  -3.646 -11.829  -4.765
  264   HD12  LEU  38          2HD1      LEU  38  -4.989 -11.129  -3.862
  265   HD13  LEU  38          3HD1      LEU  38  -4.012 -12.407  -3.139
  266   HD21  LEU  38          3HD2      LEU  38  -2.313  -8.875  -4.384
  267   HD22  LEU  38          1HD2      LEU  38  -2.348 -10.428  -5.219
  268   HD23  LEU  38          2HD2      LEU  38  -1.110 -10.109  -4.003
  269    H    CYS  39           H        CYS  39  -4.925  -6.707  -1.723
  270    HA   CYS  39           HA       CYS  39  -7.397  -7.379  -0.553
  271    HB2  CYS  39           1HB      CYS  39  -5.688  -4.907  -0.523
  272    HB3  CYS  39           2HB      CYS  39  -7.262  -4.921   0.265
  273    H    GLU  40           H        GLU  40  -6.612  -4.612  -2.669
  274    HA   GLU  40           HA       GLU  40  -9.112  -3.590  -3.060
  275    HB2  GLU  40           1HB      GLU  40  -7.150  -2.521  -3.987
  276    HB3  GLU  40           2HB      GLU  40  -6.886  -3.870  -5.083
  277    HG2  GLU  40           1HG      GLU  40  -9.301  -2.078  -5.146
  278    HG3  GLU  40           2HG      GLU  40  -7.873  -1.871  -6.158
  279    H    ARG  41           H        ARG  41  -7.620  -6.243  -4.893
  280    HA   ARG  41           HA       ARG  41  -9.894  -6.683  -6.549
  281    HB2  ARG  41           1HB      ARG  41  -8.722  -8.531  -7.425
  282    HB3  ARG  41           2HB      ARG  41  -7.480  -7.352  -7.025
  283    HG2  ARG  41           1HG      ARG  41  -6.633  -8.610  -5.325
  284    HG3  ARG  41           2HG      ARG  41  -8.181  -9.382  -4.978
  285    HD2  ARG  41           1HD      ARG  41  -7.796 -10.391  -7.397
  286    HD3  ARG  41           2HD      ARG  41  -6.109 -10.083  -6.990
  287    HE   ARG  41           HE       ARG  41  -6.534 -11.480  -4.966
  288   HH11  ARG  41          2HH1      ARG  41  -8.495 -11.832  -7.821
  289   HH12  ARG  41          1HH1      ARG  41  -8.922 -13.477  -7.483
  290   HH21  ARG  41          2HH2      ARG  41  -7.089 -13.645  -4.510
  291   HH22  ARG  41          1HH2      ARG  41  -8.122 -14.507  -5.599
  292    H    SER  42           H        SER  42  -9.025  -7.647  -3.363
  293    HA   SER  42           HA       SER  42 -10.634  -9.993  -3.207
  294    HB2  SER  42           1HB      SER  42  -8.701  -9.352  -1.667
  295    HB3  SER  42           2HB      SER  42  -9.830  -8.254  -0.874
  296    HG   SER  42           HG       SER  42  -9.974 -10.131   0.242
  297    H    GLN  43           H        GLN  43 -12.740 -10.235  -2.747
  298    HA   GLN  43           HA       GLN  43 -14.638  -8.347  -3.165
  299    HB2  GLN  43           1HB      GLN  43 -14.811 -10.916  -2.619
  300    HB3  GLN  43           2HB      GLN  43 -15.155 -10.337  -0.995
  301    HG2  GLN  43           1HG      GLN  43 -17.008  -8.987  -1.905
  302    HG3  GLN  43           2HG      GLN  43 -16.691  -9.677  -3.496
  303   HE21  GLN  43          1HE2      GLN  43 -19.134 -10.034  -2.701
  304   HE22  GLN  43          2HE2      GLN  43 -19.423 -11.635  -2.120
  305    H    GLU  44           H        GLU  44 -12.798  -8.834  -0.240
  306    HA   GLU  44           HA       GLU  44 -14.343  -7.420   1.590
  307    HB2  GLU  44           1HB      GLU  44 -11.325  -7.504   1.440
  308    HB3  GLU  44           2HB      GLU  44 -12.280  -7.095   2.857
  309    HG2  GLU  44           1HG      GLU  44 -12.629  -9.741   1.517
  310    HG3  GLU  44           2HG      GLU  44 -11.287  -9.468   2.627
  311    H    HIS  45           H        HIS  45 -11.892  -6.244  -0.683
  312    HA   HIS  45           HA       HIS  45 -12.820  -3.500  -0.138
  313    HB2  HIS  45           1HB      HIS  45 -10.080  -4.542  -0.828
  314    HB3  HIS  45           2HB      HIS  45 -10.511  -2.850  -1.062
  315    HD2  HIS  45           2HD      HIS  45  -9.098  -5.067   1.635
  316    HE1  HIS  45           1HE      HIS  45 -10.636  -1.651   3.627
  317    HE2  HIS  45           2HE      HIS  45  -9.138  -3.667   3.810
  318    H    ARG  46           H        ARG  46 -13.347  -5.823  -2.221
  319    HA   ARG  46           HA       ARG  46 -12.671  -4.780  -4.751
  320    HB2  ARG  46           1HB      ARG  46 -13.434  -7.143  -4.191
  321    HB3  ARG  46           2HB      ARG  46 -15.072  -6.506  -4.166
  322    HG2  ARG  46           1HG      ARG  46 -14.995  -5.961  -6.466
  323    HG3  ARG  46           2HG      ARG  46 -13.253  -6.232  -6.540
  324    HD2  ARG  46           1HD      ARG  46 -13.516  -8.573  -6.289
  325    HD3  ARG  46           2HD      ARG  46 -15.210  -8.403  -5.834
  326    HE   ARG  46           HE       ARG  46 -14.106  -8.354  -8.511
  327   HH11  ARG  46          2HH1      ARG  46 -16.839  -7.681  -6.461
  328   HH12  ARG  46          1HH1      ARG  46 -17.986  -7.712  -7.759
  329   HH21  ARG  46          2HH2      ARG  46 -15.607  -8.397 -10.229
  330   HH22  ARG  46          1HH2      ARG  46 -17.284  -8.120  -9.902
  331    H    GLY  47           H        GLY  47 -13.702  -3.407  -6.126
  332    HA2  GLY  47           1HA      GLY  47 -15.384  -2.017  -6.937
  333    HA3  GLY  47           2HA      GLY  47 -16.395  -2.495  -5.581
  334    H    HIS  48           H        HIS  48 -14.091  -1.824  -3.734
  335    HA   HIS  48           HA       HIS  48 -14.924   0.782  -3.063
  336    HB2  HIS  48           1HB      HIS  48 -12.409  -0.670  -2.213
  337    HB3  HIS  48           2HB      HIS  48 -13.103   0.741  -1.420
  338    HD2  HIS  48           2HD      HIS  48 -15.971  -1.522  -2.229
  339    HE1  HIS  48           1HE      HIS  48 -14.665  -2.694   1.633
  340    HE2  HIS  48           2HE      HIS  48 -16.454  -2.943  -0.123
  341    H    HIS  49           H        HIS  49 -14.125   2.766  -3.519
  342    HA   HIS  49           HA       HIS  49 -12.336   3.004  -5.760
  343    HB2  HIS  49           1HB      HIS  49 -14.037   4.857  -4.165
  344    HB3  HIS  49           2HB      HIS  49 -12.677   5.553  -5.041
  345    HD1  HIS  49           1HD      HIS  49 -16.108   5.063  -5.474
  346    HD2  HIS  49           2HD      HIS  49 -12.813   4.404  -7.917
  347    HE1  HIS  49           1HE      HIS  49 -17.012   4.997  -7.820
  348    HE2  HIS  49           2HE      HIS  49 -15.013   4.512  -9.273
  349    H    THR  50           H        THR  50 -10.206   2.950  -5.564
  350    HA   THR  50           HA       THR  50  -8.987   4.052  -3.115
  351    HB   THR  50           HB       THR  50  -7.215   2.469  -3.261
  352    HG1  THR  50           1HG      THR  50  -8.149   2.172  -5.864
  353   HG21  THR  50          3HG2      THR  50  -9.681   1.724  -2.606
  354   HG22  THR  50          1HG2      THR  50  -8.339   0.582  -2.627
  355   HG23  THR  50          2HG2      THR  50  -9.454   0.655  -3.990
  356    H    PHE  51           H        PHE  51  -6.990   5.163  -3.332
  357    HA   PHE  51           HA       PHE  51  -6.383   6.074  -6.066
  358    HB2  PHE  51           1HB      PHE  51  -6.424   7.771  -3.561
  359    HB3  PHE  51           2HB      PHE  51  -5.925   8.320  -5.158
  360    HD1  PHE  51           1HD      PHE  51  -8.820   6.906  -3.310
  361    HD2  PHE  51           2HD      PHE  51  -7.483   9.207  -6.632
  362    HE1  PHE  51           1HE      PHE  51 -11.148   7.514  -3.822
  363    HE2  PHE  51           2HE      PHE  51  -9.809   9.820  -7.148
  364    HZ   PHE  51           HZ       PHE  51 -11.645   8.974  -5.742
  365    HA   PRO  52           HA       PRO  52  -2.217   4.961  -5.210
  366    HB2  PRO  52           1HB      PRO  52  -0.934   6.625  -6.930
  367    HB3  PRO  52           2HB      PRO  52  -1.840   5.204  -7.464
  368    HG2  PRO  52           1HG      PRO  52  -2.673   8.079  -7.426
  369    HG3  PRO  52           2HG      PRO  52  -2.921   6.859  -8.689
  370    HD2  PRO  52           1HD      PRO  52  -4.867   7.564  -6.943
  371    HD3  PRO  52           2HD      PRO  52  -4.728   5.923  -7.607
  372    H    THR  53           H        THR  53  -2.424   5.919  -3.012
  373    HA   THR  53           HA       THR  53  -1.741   8.595  -2.458
  374    HB   THR  53           HB       THR  53  -2.846   7.297  -0.763
  375    HG1  THR  53           1HG      THR  53  -0.163   7.905  -0.005
  376   HG21  THR  53          3HG2      THR  53  -2.272   5.219  -0.131
  377   HG22  THR  53          1HG2      THR  53  -0.563   5.632   0.000
  378   HG23  THR  53          2HG2      THR  53  -1.253   5.217  -1.570
  379    H    SER  54           H        SER  54   0.192   5.706  -2.929
  380    HA   SER  54           HA       SER  54   2.627   7.307  -2.492
  381    HB2  SER  54           1HB      SER  54   2.077   4.366  -2.133
  382    HB3  SER  54           2HB      SER  54   3.722   4.981  -2.298
  383    HG   SER  54           HG       SER  54   2.418   6.477  -0.516
  384    H    GLY  55           H        GLY  55   0.987   5.061  -4.644
  385    HA2  GLY  55           1HA      GLY  55   3.035   4.652  -6.510
  386    HA3  GLY  55           2HA      GLY  55   1.315   4.558  -6.859
  387    HA   PRO  56           HA       PRO  56   2.877   7.986  -9.454
  388    HB2  PRO  56           1HB      PRO  56   1.125   7.527 -11.477
  389    HB3  PRO  56           2HB      PRO  56   2.653   6.654 -11.312
  390    HG2  PRO  56           1HG      PRO  56  -0.109   5.803 -10.531
  391    HG3  PRO  56           2HG      PRO  56   1.165   4.867 -11.335
  392    HD2  PRO  56           1HD      PRO  56   0.639   4.638  -8.689
  393    HD3  PRO  56           2HD      PRO  56   2.271   4.437  -9.359
  394    H    SER  57           H        SER  57   1.474   9.688 -10.668
  395    HA   SER  57           HA       SER  57   0.063  11.461 -10.445
  396    HB2  SER  57           1HB      SER  57  -1.784   9.220  -9.599
  397    HB3  SER  57           2HB      SER  57  -2.324  10.874  -9.889
  398    HG   SER  57           HG       SER  57  -2.294  10.470 -11.942
  399    H    SER  58           H        SER  58   1.808  11.117  -8.307
  400    HA   SER  58           HA       SER  58   0.390  11.326  -5.817
  401    HB2  SER  58           1HB      SER  58   3.285  11.766  -6.565
  402    HB3  SER  58           2HB      SER  58   2.676  11.940  -4.920
  403    HG   SER  58           HG       SER  58   3.572   9.816  -5.559
  404    H    GLY  59           H        GLY  59   0.050  13.147  -4.565
  405    HA2  GLY  59           1HA      GLY  59   0.313  15.473  -4.071
  406    HA3  GLY  59           2HA      GLY  59   0.738  15.746  -5.754
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  19.072   9.188 -23.495
    2    HA2  GLY   1           1HA      GLY   1  19.670   9.951 -21.280
    3    HA3  GLY   1           2HA      GLY   1  18.699   8.499 -21.085
    4    H    SER   2           H        SER   2  20.142   8.916 -18.996
    5    HA   SER   2           HA       SER   2  22.834   7.978 -19.132
    6    HB2  SER   2           1HB      SER   2  22.761   8.019 -16.688
    7    HB3  SER   2           2HB      SER   2  22.042   9.490 -17.342
    8    HG   SER   2           HG       SER   2  19.989   8.550 -16.992
    9    H    SER   3           H        SER   3  23.662   5.979 -18.791
   10    HA   SER   3           HA       SER   3  21.850   3.746 -19.022
   11    HB2  SER   3           1HB      SER   3  24.197   4.060 -20.130
   12    HB3  SER   3           2HB      SER   3  24.806   3.449 -18.592
   13    HG   SER   3           HG       SER   3  22.729   2.012 -19.725
   14    H    GLY   4           H        GLY   4  21.820   1.924 -17.593
   15    HA2  GLY   4           1HA      GLY   4  21.686   0.925 -15.530
   16    HA3  GLY   4           2HA      GLY   4  23.110   1.858 -15.091
   17    H    SER   5           H        SER   5  20.304   1.169 -13.889
   18    HA   SER   5           HA       SER   5  18.988   3.633 -13.472
   19    HB2  SER   5           1HB      SER   5  18.948   1.018 -11.965
   20    HB3  SER   5           2HB      SER   5  17.960   2.398 -11.486
   21    HG   SER   5           HG       SER   5  17.426   0.595 -13.335
   22    H    SER   6           H        SER   6  18.948   4.987 -11.644
   23    HA   SER   6           HA       SER   6  21.522   5.169 -10.292
   24    HB2  SER   6           1HB      SER   6  19.180   7.087 -10.230
   25    HB3  SER   6           2HB      SER   6  20.806   7.402  -9.624
   26    HG   SER   6           HG       SER   6  20.084   6.890 -12.322
   27    H    GLY   7           H        GLY   7  19.207   3.238  -9.659
   28    HA2  GLY   7           1HA      GLY   7  19.221   3.776  -6.757
   29    HA3  GLY   7           2HA      GLY   7  17.745   3.284  -7.575
   30    H    SER   8           H        SER   8  17.288   1.264  -7.019
   31    HA   SER   8           HA       SER   8  19.387  -0.763  -7.303
   32    HB2  SER   8           1HB      SER   8  18.885  -1.802  -5.218
   33    HB3  SER   8           2HB      SER   8  19.078  -0.084  -4.870
   34    HG   SER   8           HG       SER   8  16.830   0.113  -4.829
   35    HA   PRO   9           HA       PRO   9  16.228  -2.814  -9.602
   36    HB2  PRO   9           1HB      PRO   9  17.369  -5.276  -9.698
   37    HB3  PRO   9           2HB      PRO   9  17.942  -3.913 -10.667
   38    HG2  PRO   9           1HG      PRO   9  19.022  -4.995  -8.093
   39    HG3  PRO   9           2HG      PRO   9  19.900  -4.461  -9.538
   40    HD2  PRO   9           1HD      PRO   9  19.641  -2.909  -7.334
   41    HD3  PRO   9           2HD      PRO   9  19.727  -2.233  -8.973
   42    H    GLU  10           H        GLU  10  16.728  -3.143  -6.379
   43    HA   GLU  10           HA       GLU  10  14.680  -5.247  -6.128
   44    HB2  GLU  10           1HB      GLU  10  17.210  -4.800  -4.679
   45    HB3  GLU  10           2HB      GLU  10  15.828  -5.189  -3.663
   46    HG2  GLU  10           1HG      GLU  10  16.573  -7.286  -4.069
   47    HG3  GLU  10           2HG      GLU  10  15.506  -7.101  -5.460
   48    H    GLY  11           H        GLY  11  13.203  -5.024  -4.314
   49    HA2  GLY  11           1HA      GLY  11  12.655  -2.183  -3.757
   50    HA3  GLY  11           2HA      GLY  11  11.454  -3.466  -3.758
   51    H    GLN  12           H        GLN  12  12.180  -1.454  -1.698
   52    HA   GLN  12           HA       GLN  12  13.099  -3.220   0.460
   53    HB2  GLN  12           1HB      GLN  12  12.848  -0.209   0.379
   54    HB3  GLN  12           2HB      GLN  12  13.429  -1.139   1.754
   55    HG2  GLN  12           1HG      GLN  12  15.342  -1.884   0.512
   56    HG3  GLN  12           2HG      GLN  12  14.731  -1.128  -0.958
   57   HE21  GLN  12          1HE2      GLN  12  15.735  -0.400   2.352
   58   HE22  GLN  12          2HE2      GLN  12  16.382   1.163   2.000
   59    H    LYS  13           H        LYS  13  11.958  -3.308   2.444
   60    HA   LYS  13           HA       LYS  13   9.203  -3.614   2.238
   61    HB2  LYS  13           1HB      LYS  13   9.246  -3.582   4.768
   62    HB3  LYS  13           2HB      LYS  13  10.328  -4.737   4.001
   63    HG2  LYS  13           1HG      LYS  13  12.211  -3.247   4.362
   64    HG3  LYS  13           2HG      LYS  13  11.137  -2.043   5.078
   65    HD2  LYS  13           1HD      LYS  13  10.494  -3.914   6.728
   66    HD3  LYS  13           2HD      LYS  13  11.957  -4.720   6.158
   67    HE2  LYS  13           1HE      LYS  13  13.296  -2.806   6.819
   68    HE3  LYS  13           2HE      LYS  13  11.845  -1.936   7.315
   69    HZ1  LYS  13           3HZ      LYS  13  13.052  -4.330   8.570
   70    HZ2  LYS  13           1HZ      LYS  13  11.468  -3.839   8.906
   71    HZ3  LYS  13           2HZ      LYS  13  12.765  -2.815   9.267
   72    H    VAL  14           H        VAL  14   7.846  -2.027   1.690
   73    HA   VAL  14           HA       VAL  14   7.810   0.385   3.353
   74    HB   VAL  14           HB       VAL  14   8.961   1.188   1.440
   75   HG11  VAL  14          1HG1      VAL  14   8.235  -0.832   0.036
   76   HG12  VAL  14          2HG1      VAL  14   6.834   0.148  -0.403
   77   HG13  VAL  14          3HG1      VAL  14   8.461   0.709  -0.791
   78   HG21  VAL  14          3HG2      VAL  14   7.123   2.609   2.247
   79   HG22  VAL  14          1HG2      VAL  14   7.414   2.817   0.520
   80   HG23  VAL  14          2HG2      VAL  14   6.042   1.857   1.074
   81    H    ASP  15           H        ASP  15   5.923  -0.001   4.374
   82    HA   ASP  15           HA       ASP  15   3.700  -0.358   4.731
   83    HB2  ASP  15           1HB      ASP  15   3.649   1.086   2.081
   84    HB3  ASP  15           2HB      ASP  15   2.184   0.685   2.974
   85    H    HIS  16           H        HIS  16   4.903  -2.640   3.927
   86    HA   HIS  16           HA       HIS  16   3.471  -3.815   1.708
   87    HB2  HIS  16           1HB      HIS  16   5.578  -4.778   3.615
   88    HB3  HIS  16           2HB      HIS  16   4.689  -5.932   2.626
   89    HD1  HIS  16           1HD      HIS  16   6.463  -6.605   0.992
   90    HD2  HIS  16           2HD      HIS  16   6.087  -2.480   1.321
   91    HE1  HIS  16           1HE      HIS  16   7.922  -5.650  -0.820
   92    HE2  HIS  16           2HE      HIS  16   7.746  -3.152  -0.546
   93    H    CYS  17           H        CYS  17   1.665  -4.999   1.808
   94    HA   CYS  17           HA       CYS  17   0.057  -5.046   4.098
   95    HB2  CYS  17           1HB      CYS  17  -0.732  -5.271   1.723
   96    HB3  CYS  17           2HB      CYS  17  -0.142  -6.929   1.742
   97    H    ALA  18           H        ALA  18   0.158  -6.245   5.868
   98    HA   ALA  18           HA       ALA  18   2.009  -8.410   6.111
   99    HB1  ALA  18           3HB      ALA  18   0.564  -6.717   7.871
  100    HB2  ALA  18           1HB      ALA  18   0.208  -8.389   8.305
  101    HB3  ALA  18           2HB      ALA  18   1.880  -7.830   8.247
  102    H    ARG  19           H        ARG  19  -0.997  -8.266   4.756
  103    HA   ARG  19           HA       ARG  19  -1.816 -10.937   5.628
  104    HB2  ARG  19           1HB      ARG  19  -3.566  -9.267   5.637
  105    HB3  ARG  19           2HB      ARG  19  -3.227  -8.847   3.964
  106    HG2  ARG  19           1HG      ARG  19  -3.941 -11.087   3.268
  107    HG3  ARG  19           2HG      ARG  19  -4.313 -11.477   4.948
  108    HD2  ARG  19           1HD      ARG  19  -5.955  -9.661   5.000
  109    HD3  ARG  19           2HD      ARG  19  -5.581  -9.276   3.321
  110    HE   ARG  19           HE       ARG  19  -6.463 -11.990   3.829
  111   HH11  ARG  19          2HH1      ARG  19  -7.330  -8.753   2.885
  112   HH12  ARG  19          1HH1      ARG  19  -8.794  -9.236   2.094
  113   HH21  ARG  19          2HH2      ARG  19  -8.388 -12.638   2.791
  114   HH22  ARG  19          1HH2      ARG  19  -9.395 -11.446   2.042
  115    H    HIS  20           H        HIS  20  -1.027  -9.132   2.680
  116    HA   HIS  20           HA       HIS  20  -0.781 -11.698   1.255
  117    HB2  HIS  20           1HB      HIS  20  -1.167  -8.935   0.084
  118    HB3  HIS  20           2HB      HIS  20  -1.110 -10.447  -0.817
  119    HD2  HIS  20           2HD      HIS  20  -3.393 -12.159  -0.344
  120    HE1  HIS  20           1HE      HIS  20  -5.796  -8.963   1.076
  121    HE2  HIS  20           2HE      HIS  20  -5.760 -11.373   0.342
  122    H    GLY  21           H        GLY  21   0.781  -8.612   1.930
  123    HA2  GLY  21           1HA      GLY  21   3.133  -8.427   2.229
  124    HA3  GLY  21           2HA      GLY  21   3.346  -9.837   1.203
  125    H    GLU  22           H        GLU  22   1.084  -7.743  -0.120
  126    HA   GLU  22           HA       GLU  22   2.947  -6.958  -2.193
  127    HB2  GLU  22           1HB      GLU  22  -0.011  -6.941  -1.858
  128    HB3  GLU  22           2HB      GLU  22   0.686  -5.790  -2.988
  129    HG2  GLU  22           1HG      GLU  22   0.665  -8.769  -3.096
  130    HG3  GLU  22           2HG      GLU  22   0.212  -7.598  -4.333
  131    H    LYS  23           H        LYS  23   3.578  -4.894  -2.696
  132    HA   LYS  23           HA       LYS  23   3.852  -3.039  -0.618
  133    HB2  LYS  23           1HB      LYS  23   3.973  -2.312  -3.539
  134    HB3  LYS  23           2HB      LYS  23   4.873  -1.604  -2.204
  135    HG2  LYS  23           1HG      LYS  23   6.161  -3.644  -1.958
  136    HG3  LYS  23           2HG      LYS  23   5.227  -4.408  -3.246
  137    HD2  LYS  23           1HD      LYS  23   7.028  -3.713  -4.462
  138    HD3  LYS  23           2HD      LYS  23   6.029  -2.263  -4.586
  139    HE2  LYS  23           1HE      LYS  23   8.183  -1.502  -4.012
  140    HE3  LYS  23           2HE      LYS  23   7.241  -1.424  -2.524
  141    HZ1  LYS  23           3HZ      LYS  23   9.042  -2.486  -1.717
  142    HZ2  LYS  23           1HZ      LYS  23   9.486  -3.143  -3.212
  143    HZ3  LYS  23           2HZ      LYS  23   8.250  -3.860  -2.306
  144    H    LEU  24           H        LEU  24   2.428  -1.697   0.251
  145    HA   LEU  24           HA       LEU  24  -0.139  -1.260  -0.962
  146    HB2  LEU  24           1HB      LEU  24   1.088  -0.075   1.524
  147    HB3  LEU  24           2HB      LEU  24  -0.600   0.088   1.042
  148    HG   LEU  24           HG       LEU  24   0.651  -2.593   1.570
  149   HD11  LEU  24          1HD1      LEU  24   0.729  -2.189   3.745
  150   HD12  LEU  24          2HD1      LEU  24  -0.990  -1.797   3.733
  151   HD13  LEU  24          3HD1      LEU  24   0.206  -0.527   3.472
  152   HD21  LEU  24          3HD2      LEU  24  -2.209  -1.870   1.991
  153   HD22  LEU  24          1HD2      LEU  24  -1.490  -3.418   1.546
  154   HD23  LEU  24          2HD2      LEU  24  -1.623  -2.130   0.348
  155    H    LEU  25           H        LEU  25  -0.117   0.022  -2.724
  156    HA   LEU  25           HA       LEU  25   1.135   2.676  -2.453
  157    HB2  LEU  25           1HB      LEU  25   0.601   1.176  -5.010
  158    HB3  LEU  25           2HB      LEU  25   1.453   2.710  -4.841
  159    HG   LEU  25           HG       LEU  25   2.454   0.114  -3.684
  160   HD11  LEU  25          1HD1      LEU  25   4.097   0.283  -5.622
  161   HD12  LEU  25          2HD1      LEU  25   2.933   1.382  -6.362
  162   HD13  LEU  25          3HD1      LEU  25   2.467  -0.279  -5.994
  163   HD21  LEU  25          3HD2      LEU  25   4.628   1.546  -3.926
  164   HD22  LEU  25          1HD2      LEU  25   3.559   1.775  -2.542
  165   HD23  LEU  25          2HD2      LEU  25   3.497   2.901  -3.899
  166    H    LEU  26           H        LEU  26  -1.732   1.266  -2.212
  167    HA   LEU  26           HA       LEU  26  -3.163   3.436  -3.598
  168    HB2  LEU  26           1HB      LEU  26  -4.121   0.669  -2.885
  169    HB3  LEU  26           2HB      LEU  26  -5.124   1.931  -3.597
  170    HG   LEU  26           HG       LEU  26  -2.665   0.916  -4.989
  171   HD11  LEU  26          1HD1      LEU  26  -4.451  -0.445  -6.305
  172   HD12  LEU  26          2HD1      LEU  26  -5.368  -0.337  -4.802
  173   HD13  LEU  26          3HD1      LEU  26  -3.775  -1.094  -4.811
  174   HD21  LEU  26          3HD2      LEU  26  -5.116   2.463  -5.750
  175   HD22  LEU  26          1HD2      LEU  26  -4.173   1.594  -6.961
  176   HD23  LEU  26          2HD2      LEU  26  -3.418   2.869  -6.005
  177    H    PHE  27           H        PHE  27  -5.318   3.951  -2.534
  178    HA   PHE  27           HA       PHE  27  -5.283   3.635   0.369
  179    HB2  PHE  27           1HB      PHE  27  -4.043   5.740  -0.175
  180    HB3  PHE  27           2HB      PHE  27  -5.507   6.354  -0.936
  181    HD1  PHE  27           1HD      PHE  27  -7.555   6.694   0.469
  182    HD2  PHE  27           2HD      PHE  27  -3.733   5.864   2.147
  183    HE1  PHE  27           1HE      PHE  27  -8.329   7.547   2.643
  184    HE2  PHE  27           2HE      PHE  27  -4.500   6.715   4.324
  185    HZ   PHE  27           HZ       PHE  27  -6.801   7.557   4.575
  186    H    CYS  28           H        CYS  28  -7.188   2.645   0.627
  187    HA   CYS  28           HA       CYS  28  -9.455   3.066  -1.016
  188    HB2  CYS  28           1HB      CYS  28  -8.809   1.065   0.563
  189    HB3  CYS  28           2HB      CYS  28  -9.705   1.986   1.765
  190    H    GLN  29           H        GLN  29 -11.186   4.382  -0.812
  191    HA   GLN  29           HA       GLN  29 -10.999   6.511   1.165
  192    HB2  GLN  29           1HB      GLN  29 -12.729   7.623  -0.170
  193    HB3  GLN  29           2HB      GLN  29 -11.366   7.136  -1.169
  194    HG2  GLN  29           1HG      GLN  29 -12.588   5.676  -2.365
  195    HG3  GLN  29           2HG      GLN  29 -13.569   5.195  -0.982
  196   HE21  GLN  29          1HE2      GLN  29 -13.026   7.898  -3.200
  197   HE22  GLN  29          2HE2      GLN  29 -14.674   8.413  -3.255
  198    H    GLU  30           H        GLU  30 -13.080   3.832   0.276
  199    HA   GLU  30           HA       GLU  30 -15.289   4.502   1.894
  200    HB2  GLU  30           1HB      GLU  30 -14.285   1.886   0.788
  201    HB3  GLU  30           2HB      GLU  30 -15.738   1.984   1.771
  202    HG2  GLU  30           1HG      GLU  30 -15.455   3.737  -0.623
  203    HG3  GLU  30           2HG      GLU  30 -15.902   2.044  -0.820
  204    H    ASP  31           H        ASP  31 -12.304   2.764   2.543
  205    HA   ASP  31           HA       ASP  31 -13.137   2.424   5.344
  206    HB2  ASP  31           1HB      ASP  31 -10.972   1.017   3.767
  207    HB3  ASP  31           2HB      ASP  31 -11.288   0.762   5.481
  208    H    GLY  32           H        GLY  32 -10.936   4.043   3.248
  209    HA2  GLY  32           1HA      GLY  32  -9.450   5.747   3.686
  210    HA3  GLY  32           2HA      GLY  32 -10.002   5.724   5.354
  211    H    LYS  33           H        LYS  33  -8.670   2.936   3.693
  212    HA   LYS  33           HA       LYS  33  -6.169   3.230   5.202
  213    HB2  LYS  33           1HB      LYS  33  -6.286   0.738   5.656
  214    HB3  LYS  33           2HB      LYS  33  -7.399   1.743   6.576
  215    HG2  LYS  33           1HG      LYS  33  -8.859   0.141   5.954
  216    HG3  LYS  33           2HG      LYS  33  -8.984   1.153   4.513
  217    HD2  LYS  33           1HD      LYS  33  -8.710  -1.114   3.799
  218    HD3  LYS  33           2HD      LYS  33  -7.205  -0.254   3.464
  219    HE2  LYS  33           1HE      LYS  33  -6.072  -1.311   5.195
  220    HE3  LYS  33           2HE      LYS  33  -7.559  -1.747   6.034
  221    HZ1  LYS  33           3HZ      LYS  33  -6.089  -3.349   4.358
  222    HZ2  LYS  33           1HZ      LYS  33  -7.450  -2.923   3.447
  223    HZ3  LYS  33           2HZ      LYS  33  -7.640  -3.667   4.954
  224    H    VAL  34           H        VAL  34  -4.350   2.388   4.224
  225    HA   VAL  34           HA       VAL  34  -4.391   2.174   1.404
  226    HB   VAL  34           HB       VAL  34  -1.989   1.330   1.749
  227   HG11  VAL  34          1HG1      VAL  34  -3.140   3.872   1.793
  228   HG12  VAL  34          2HG1      VAL  34  -1.941   3.881   3.089
  229   HG13  VAL  34          3HG1      VAL  34  -1.460   3.467   1.443
  230   HG21  VAL  34          3HG2      VAL  34  -2.522   0.590   4.127
  231   HG22  VAL  34          1HG2      VAL  34  -1.018   1.480   3.887
  232   HG23  VAL  34          2HG2      VAL  34  -2.428   2.297   4.562
  233    H    ILE  35           H        ILE  35  -4.568   0.466   0.086
  234    HA   ILE  35           HA       ILE  35  -4.391  -2.230   1.251
  235    HB   ILE  35           HB       ILE  35  -6.287  -2.984  -0.027
  236   HG12  ILE  35          1HG1      ILE  35  -6.701  -0.141  -0.958
  237   HG13  ILE  35          2HG1      ILE  35  -5.880  -1.358  -1.930
  238   HG21  ILE  35          1HG2      ILE  35  -8.002  -2.017   1.230
  239   HG22  ILE  35          2HG2      ILE  35  -6.559  -1.778   2.215
  240   HG23  ILE  35          3HG2      ILE  35  -7.211  -0.441   1.267
  241   HD11  ILE  35          3HD1      ILE  35  -8.076  -2.723  -1.475
  242   HD12  ILE  35          1HD1      ILE  35  -8.750  -1.114  -1.217
  243   HD13  ILE  35          2HD1      ILE  35  -7.994  -1.516  -2.759
  244    H    CYS  36           H        CYS  36  -3.724  -3.885  -0.165
  245    HA   CYS  36           HA       CYS  36  -2.148  -2.905  -2.424
  246    HB2  CYS  36           1HB      CYS  36  -1.092  -5.164  -2.342
  247    HB3  CYS  36           2HB      CYS  36  -0.927  -4.258  -0.841
  248    H    TRP  37           H        TRP  37  -1.941  -4.763  -4.196
  249    HA   TRP  37           HA       TRP  37  -4.217  -4.724  -5.731
  250    HB2  TRP  37           1HB      TRP  37  -2.506  -7.146  -5.968
  251    HB3  TRP  37           2HB      TRP  37  -3.085  -6.049  -7.218
  252    HD1  TRP  37           HD       TRP  37   0.047  -7.099  -6.378
  253    HE1  TRP  37           1HE      TRP  37   1.851  -5.262  -6.366
  254    HE3  TRP  37           3HE      TRP  37  -2.979  -2.990  -6.071
  255    HZ2  TRP  37           2HZ      TRP  37   1.974  -2.445  -6.242
  256    HZ3  TRP  37           3HZ      TRP  37  -1.939  -0.761  -6.010
  257    HH2  TRP  37           HH       TRP  37   0.487  -0.496  -6.094
  258    H    LEU  38           H        LEU  38  -3.070  -7.572  -3.908
  259    HA   LEU  38           HA       LEU  38  -5.185  -9.256  -4.296
  260    HB2  LEU  38           1HB      LEU  38  -3.408  -8.831  -1.920
  261    HB3  LEU  38           2HB      LEU  38  -4.671 -10.060  -1.901
  262    HG   LEU  38           HG       LEU  38  -2.477 -11.004  -2.433
  263   HD11  LEU  38          1HD1      LEU  38  -4.858 -11.496  -3.704
  264   HD12  LEU  38          2HD1      LEU  38  -3.418 -12.510  -3.783
  265   HD13  LEU  38          3HD1      LEU  38  -3.727 -11.318  -5.046
  266   HD21  LEU  38          3HD2      LEU  38  -2.600  -9.166  -4.821
  267   HD22  LEU  38          1HD2      LEU  38  -1.436 -10.475  -4.612
  268   HD23  LEU  38          2HD2      LEU  38  -1.434  -9.107  -3.498
  269    H    CYS  39           H        CYS  39  -4.909  -6.775  -1.766
  270    HA   CYS  39           HA       CYS  39  -7.355  -7.259  -0.503
  271    HB2  CYS  39           1HB      CYS  39  -5.636  -4.800  -0.748
  272    HB3  CYS  39           2HB      CYS  39  -7.153  -4.773   0.145
  273    H    GLU  40           H        GLU  40  -6.551  -5.055  -3.167
  274    HA   GLU  40           HA       GLU  40  -9.129  -3.950  -3.449
  275    HB2  GLU  40           1HB      GLU  40  -7.180  -2.868  -4.412
  276    HB3  GLU  40           2HB      GLU  40  -6.897  -4.247  -5.465
  277    HG2  GLU  40           1HG      GLU  40  -8.004  -2.180  -6.467
  278    HG3  GLU  40           2HG      GLU  40  -8.722  -3.752  -6.815
  279    H    ARG  41           H        ARG  41  -7.576  -6.770  -4.889
  280    HA   ARG  41           HA       ARG  41  -9.864  -7.348  -6.563
  281    HB2  ARG  41           1HB      ARG  41  -7.369  -8.969  -6.018
  282    HB3  ARG  41           2HB      ARG  41  -8.579  -9.337  -7.241
  283    HG2  ARG  41           1HG      ARG  41  -8.043  -7.323  -8.447
  284    HG3  ARG  41           2HG      ARG  41  -6.928  -6.821  -7.175
  285    HD2  ARG  41           1HD      ARG  41  -5.440  -7.743  -8.638
  286    HD3  ARG  41           2HD      ARG  41  -5.844  -9.174  -7.691
  287    HE   ARG  41           HE       ARG  41  -7.456  -8.726 -10.059
  288   HH11  ARG  41          2HH1      ARG  41  -4.705 -10.322  -8.643
  289   HH12  ARG  41          1HH1      ARG  41  -4.634 -11.559  -9.854
  290   HH21  ARG  41          2HH2      ARG  41  -7.374 -10.349 -11.659
  291   HH22  ARG  41          1HH2      ARG  41  -6.152 -11.573 -11.570
  292    H    SER  42           H        SER  42  -9.856  -7.378  -3.489
  293    HA   SER  42           HA       SER  42 -10.996 -10.078  -3.175
  294    HB2  SER  42           1HB      SER  42  -8.915  -9.452  -1.799
  295    HB3  SER  42           2HB      SER  42  -9.988  -8.386  -0.893
  296    HG   SER  42           HG       SER  42  -9.625 -10.963  -0.538
  297    H    GLN  43           H        GLN  43 -13.102 -10.194  -2.771
  298    HA   GLN  43           HA       GLN  43 -14.949  -8.280  -2.969
  299    HB2  GLN  43           1HB      GLN  43 -14.921 -10.689  -1.175
  300    HB3  GLN  43           2HB      GLN  43 -16.318  -9.622  -1.226
  301    HG2  GLN  43           1HG      GLN  43 -16.866 -10.211  -3.373
  302    HG3  GLN  43           2HG      GLN  43 -15.218 -10.687  -3.778
  303   HE21  GLN  43          1HE2      GLN  43 -16.310 -12.575  -4.674
  304   HE22  GLN  43          2HE2      GLN  43 -16.677 -13.901  -3.629
  305    H    GLU  44           H        GLU  44 -12.941  -8.818  -0.157
  306    HA   GLU  44           HA       GLU  44 -14.253  -7.386   1.792
  307    HB2  GLU  44           1HB      GLU  44 -11.943  -8.642   1.792
  308    HB3  GLU  44           2HB      GLU  44 -11.297  -7.037   1.480
  309    HG2  GLU  44           1HG      GLU  44 -12.255  -6.199   3.519
  310    HG3  GLU  44           2HG      GLU  44 -13.068  -7.735   3.810
  311    H    HIS  45           H        HIS  45 -12.021  -6.124  -0.671
  312    HA   HIS  45           HA       HIS  45 -13.067  -3.427  -0.105
  313    HB2  HIS  45           1HB      HIS  45 -10.316  -4.304  -0.983
  314    HB3  HIS  45           2HB      HIS  45 -10.862  -2.634  -1.101
  315    HD2  HIS  45           2HD      HIS  45  -9.263  -4.973   1.432
  316    HE1  HIS  45           1HE      HIS  45 -10.632  -1.594   3.601
  317    HE2  HIS  45           2HE      HIS  45  -9.159  -3.637   3.644
  318    H    ARG  46           H        ARG  46 -13.220  -5.895  -2.252
  319    HA   ARG  46           HA       ARG  46 -12.838  -4.814  -4.771
  320    HB2  ARG  46           1HB      ARG  46 -13.600  -7.210  -3.955
  321    HB3  ARG  46           2HB      ARG  46 -15.203  -6.574  -4.300
  322    HG2  ARG  46           1HG      ARG  46 -14.774  -7.449  -6.332
  323    HG3  ARG  46           2HG      ARG  46 -13.980  -5.891  -6.574
  324    HD2  ARG  46           1HD      ARG  46 -11.837  -6.853  -6.011
  325    HD3  ARG  46           2HD      ARG  46 -12.597  -8.395  -5.619
  326    HE   ARG  46           HE       ARG  46 -12.793  -8.855  -7.877
  327   HH11  ARG  46          2HH1      ARG  46 -11.687  -5.590  -7.389
  328   HH12  ARG  46          1HH1      ARG  46 -11.246  -5.353  -9.047
  329   HH21  ARG  46          2HH2      ARG  46 -12.216  -8.554 -10.063
  330   HH22  ARG  46          1HH2      ARG  46 -11.548  -7.039 -10.568
  331    H    GLY  47           H        GLY  47 -13.861  -3.348  -5.994
  332    HA2  GLY  47           1HA      GLY  47 -15.723  -2.155  -6.814
  333    HA3  GLY  47           2HA      GLY  47 -16.622  -2.614  -5.375
  334    H    HIS  48           H        HIS  48 -14.328  -1.795  -3.647
  335    HA   HIS  48           HA       HIS  48 -15.182   0.833  -3.099
  336    HB2  HIS  48           1HB      HIS  48 -12.626  -0.523  -2.215
  337    HB3  HIS  48           2HB      HIS  48 -13.357   0.897  -1.474
  338    HD2  HIS  48           2HD      HIS  48 -16.232  -1.355  -2.095
  339    HE1  HIS  48           1HE      HIS  48 -14.729  -2.552   1.687
  340    HE2  HIS  48           2HE      HIS  48 -16.617  -2.772   0.034
  341    H    HIS  49           H        HIS  49 -13.984   2.810  -3.218
  342    HA   HIS  49           HA       HIS  49 -12.440   3.001  -5.682
  343    HB2  HIS  49           1HB      HIS  49 -13.698   5.064  -3.875
  344    HB3  HIS  49           2HB      HIS  49 -12.653   5.497  -5.225
  345    HD1  HIS  49           1HD      HIS  49 -16.105   4.946  -4.416
  346    HD2  HIS  49           2HD      HIS  49 -13.734   4.392  -7.783
  347    HE1  HIS  49           1HE      HIS  49 -17.708   4.776  -6.346
  348    HE2  HIS  49           2HE      HIS  49 -16.255   4.356  -8.361
  349    H    THR  50           H        THR  50 -10.303   2.935  -5.647
  350    HA   THR  50           HA       THR  50  -8.904   3.724  -3.179
  351    HB   THR  50           HB       THR  50  -6.991   2.364  -4.084
  352    HG1  THR  50           1HG      THR  50  -8.863   1.128  -5.797
  353   HG21  THR  50          3HG2      THR  50  -9.130   1.582  -2.607
  354   HG22  THR  50          1HG2      THR  50  -7.733   0.561  -2.948
  355   HG23  THR  50          2HG2      THR  50  -9.192   0.417  -3.929
  356    H    PHE  51           H        PHE  51  -7.069   5.033  -3.296
  357    HA   PHE  51           HA       PHE  51  -6.554   6.314  -5.893
  358    HB2  PHE  51           1HB      PHE  51  -6.719   7.772  -3.248
  359    HB3  PHE  51           2HB      PHE  51  -6.411   8.492  -4.825
  360    HD1  PHE  51           1HD      PHE  51  -8.958   6.679  -2.840
  361    HD2  PHE  51           2HD      PHE  51  -8.174   9.170  -6.201
  362    HE1  PHE  51           1HE      PHE  51 -11.376   7.009  -3.155
  363    HE2  PHE  51           2HE      PHE  51 -10.590   9.504  -6.521
  364    HZ   PHE  51           HZ       PHE  51 -12.195   8.424  -4.997
  365    HA   PRO  52           HA       PRO  52  -2.324   5.470  -5.015
  366    HB2  PRO  52           1HB      PRO  52  -1.172   7.307  -6.648
  367    HB3  PRO  52           2HB      PRO  52  -1.944   5.836  -7.251
  368    HG2  PRO  52           1HG      PRO  52  -3.027   8.624  -7.113
  369    HG3  PRO  52           2HG      PRO  52  -3.152   7.438  -8.426
  370    HD2  PRO  52           1HD      PRO  52  -5.172   7.900  -6.684
  371    HD3  PRO  52           2HD      PRO  52  -4.882   6.306  -7.409
  372    H    THR  53           H        THR  53  -2.571   6.284  -2.787
  373    HA   THR  53           HA       THR  53  -2.180   8.986  -2.093
  374    HB   THR  53           HB       THR  53  -3.112   7.467  -0.469
  375    HG1  THR  53           1HG      THR  53  -0.639   8.680   0.122
  376   HG21  THR  53          3HG2      THR  53  -1.539   5.789   0.632
  377   HG22  THR  53          1HG2      THR  53  -0.501   6.004  -0.777
  378   HG23  THR  53          2HG2      THR  53  -2.138   5.380  -0.975
  379    H    SER  54           H        SER  54   0.051   6.363  -2.749
  380    HA   SER  54           HA       SER  54   2.307   8.172  -2.193
  381    HB2  SER  54           1HB      SER  54   3.649   6.314  -1.698
  382    HB3  SER  54           2HB      SER  54   2.087   5.879  -1.004
  383    HG   SER  54           HG       SER  54   3.485   4.571  -2.838
  384    H    GLY  55           H        GLY  55   0.923   5.948  -4.553
  385    HA2  GLY  55           1HA      GLY  55   1.222   6.954  -6.888
  386    HA3  GLY  55           2HA      GLY  55   2.935   6.838  -6.514
  387    HA   PRO  56           HA       PRO  56   0.901   2.691  -7.980
  388    HB2  PRO  56           1HB      PRO  56   0.674   3.019 -10.665
  389    HB3  PRO  56           2HB      PRO  56  -0.642   3.372  -9.540
  390    HG2  PRO  56           1HG      PRO  56   1.299   5.249 -10.833
  391    HG3  PRO  56           2HG      PRO  56  -0.449   5.434 -10.598
  392    HD2  PRO  56           1HD      PRO  56   1.373   6.634  -8.993
  393    HD3  PRO  56           2HD      PRO  56  -0.210   6.091  -8.401
  394    H    SER  57           H        SER  57   2.175   1.047  -8.788
  395    HA   SER  57           HA       SER  57   4.949   1.617  -9.110
  396    HB2  SER  57           1HB      SER  57   4.212  -0.444  -8.024
  397    HB3  SER  57           2HB      SER  57   3.416  -0.964  -9.509
  398    HG   SER  57           HG       SER  57   5.342  -1.948  -9.609
  399    H    SER  58           H        SER  58   2.476   0.298 -11.306
  400    HA   SER  58           HA       SER  58   3.877   1.497 -13.561
  401    HB2  SER  58           1HB      SER  58   3.491  -1.455 -13.173
  402    HB3  SER  58           2HB      SER  58   3.506  -0.774 -14.799
  403    HG   SER  58           HG       SER  58   5.568   0.152 -14.250
  404    H    GLY  59           H        GLY  59   2.523   2.208 -15.122
  405    HA2  GLY  59           1HA      GLY  59  -0.304   2.113 -14.587
  406    HA3  GLY  59           2HA      GLY  59   0.481   2.961 -15.911
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   9.099 -19.902   1.011
    2    HA2  GLY   1           1HA      GLY   1   9.760 -22.193   0.630
    3    HA3  GLY   1           2HA      GLY   1  10.333 -22.253   2.291
    4    H    SER   2           H        SER   2   8.222 -21.265   3.701
    5    HA   SER   2           HA       SER   2   6.438 -23.499   3.681
    6    HB2  SER   2           1HB      SER   2   6.236 -20.935   5.277
    7    HB3  SER   2           2HB      SER   2   5.406 -22.453   5.620
    8    HG   SER   2           HG       SER   2   8.226 -22.133   5.569
    9    H    SER   3           H        SER   3   5.791 -19.998   3.426
   10    HA   SER   3           HA       SER   3   3.390 -20.653   1.853
   11    HB2  SER   3           1HB      SER   3   4.001 -18.130   3.412
   12    HB3  SER   3           2HB      SER   3   2.501 -18.481   2.556
   13    HG   SER   3           HG       SER   3   2.241 -20.283   3.981
   14    H    GLY   4           H        GLY   4   2.907 -19.444  -0.018
   15    HA2  GLY   4           1HA      GLY   4   5.191 -17.923  -1.114
   16    HA3  GLY   4           2HA      GLY   4   4.301 -19.090  -2.080
   17    H    SER   5           H        SER   5   2.946 -18.183  -3.459
   18    HA   SER   5           HA       SER   5   1.531 -16.698  -4.446
   19    HB2  SER   5           1HB      SER   5   0.705 -16.631  -1.568
   20    HB3  SER   5           2HB      SER   5  -0.032 -15.498  -2.701
   21    HG   SER   5           HG       SER   5  -1.255 -17.087  -3.292
   22    H    SER   6           H        SER   6   4.108 -15.744  -4.073
   23    HA   SER   6           HA       SER   6   3.658 -12.920  -4.248
   24    HB2  SER   6           1HB      SER   6   3.807 -13.168  -1.800
   25    HB3  SER   6           2HB      SER   6   5.378 -13.949  -1.976
   26    HG   SER   6           HG       SER   6   6.170 -12.014  -1.941
   27    H    GLY   7           H        GLY   7   5.641 -11.740  -4.843
   28    HA2  GLY   7           1HA      GLY   7   7.127 -13.180  -6.784
   29    HA3  GLY   7           2HA      GLY   7   7.425 -11.524  -6.276
   30    H    SER   8           H        SER   8   9.567 -11.466  -5.942
   31    HA   SER   8           HA       SER   8  10.895 -13.654  -4.560
   32    HB2  SER   8           1HB      SER   8  12.064 -11.084  -5.653
   33    HB3  SER   8           2HB      SER   8  12.968 -12.497  -5.110
   34    HG   SER   8           HG       SER   8  11.327 -12.212  -7.388
   35    HA   PRO   9           HA       PRO   9  10.957 -11.824  -0.571
   36    HB2  PRO   9           1HB      PRO   9  13.329 -12.746   0.375
   37    HB3  PRO   9           2HB      PRO   9  11.909 -13.779   0.172
   38    HG2  PRO   9           1HG      PRO   9  14.287 -13.453  -1.618
   39    HG3  PRO   9           2HG      PRO   9  13.444 -14.937  -1.136
   40    HD2  PRO   9           1HD      PRO   9  13.039 -13.745  -3.533
   41    HD3  PRO   9           2HD      PRO   9  11.759 -14.631  -2.679
   42    H    GLU  10           H        GLU  10  13.426 -11.128  -2.877
   43    HA   GLU  10           HA       GLU  10  14.669  -9.077  -1.237
   44    HB2  GLU  10           1HB      GLU  10  15.883 -10.610  -2.911
   45    HB3  GLU  10           2HB      GLU  10  15.213  -9.564  -4.155
   46    HG2  GLU  10           1HG      GLU  10  16.970  -8.655  -1.888
   47    HG3  GLU  10           2HG      GLU  10  17.509  -8.960  -3.538
   48    H    GLY  11           H        GLY  11  14.054  -7.018  -1.202
   49    HA2  GLY  11           1HA      GLY  11  13.407  -5.362  -3.266
   50    HA3  GLY  11           2HA      GLY  11  11.878  -6.129  -2.862
   51    H    GLN  12           H        GLN  12  13.037  -3.316  -2.579
   52    HA   GLN  12           HA       GLN  12  13.403  -2.636   0.083
   53    HB2  GLN  12           1HB      GLN  12  12.110  -1.056  -2.142
   54    HB3  GLN  12           2HB      GLN  12  12.555  -0.373  -0.584
   55    HG2  GLN  12           1HG      GLN  12  14.914  -1.240  -1.111
   56    HG3  GLN  12           2HG      GLN  12  14.330  -1.386  -2.768
   57   HE21  GLN  12          1HE2      GLN  12  16.408   0.335  -1.703
   58   HE22  GLN  12          2HE2      GLN  12  15.933   1.955  -2.068
   59    H    LYS  13           H        LYS  13  12.106  -3.395   1.648
   60    HA   LYS  13           HA       LYS  13   9.307  -3.769   1.364
   61    HB2  LYS  13           1HB      LYS  13  11.105  -4.760   3.071
   62    HB3  LYS  13           2HB      LYS  13  10.498  -3.447   4.072
   63    HG2  LYS  13           1HG      LYS  13   8.164  -4.434   3.395
   64    HG3  LYS  13           2HG      LYS  13   9.112  -5.894   3.102
   65    HD2  LYS  13           1HD      LYS  13   9.887  -5.929   5.361
   66    HD3  LYS  13           2HD      LYS  13   9.205  -4.333   5.679
   67    HE2  LYS  13           1HE      LYS  13   7.750  -5.955   6.653
   68    HE3  LYS  13           2HE      LYS  13   6.945  -5.297   5.230
   69    HZ1  LYS  13           3HZ      LYS  13   6.669  -7.649   5.235
   70    HZ2  LYS  13           1HZ      LYS  13   8.326  -7.914   5.446
   71    HZ3  LYS  13           2HZ      LYS  13   7.752  -7.268   3.993
   72    H    VAL  14           H        VAL  14   7.944  -2.125   1.098
   73    HA   VAL  14           HA       VAL  14   8.039   0.084   3.020
   74    HB   VAL  14           HB       VAL  14   9.100   1.134   1.207
   75   HG11  VAL  14          1HG1      VAL  14   7.004   0.129  -0.702
   76   HG12  VAL  14          2HG1      VAL  14   8.547   0.899  -1.078
   77   HG13  VAL  14          3HG1      VAL  14   8.514  -0.731  -0.403
   78   HG21  VAL  14          3HG2      VAL  14   6.153   1.732   0.957
   79   HG22  VAL  14          1HG2      VAL  14   7.268   2.452   2.118
   80   HG23  VAL  14          2HG2      VAL  14   7.463   2.770   0.394
   81    H    ASP  15           H        ASP  15   6.166  -0.138   4.061
   82    HA   ASP  15           HA       ASP  15   3.945  -0.384   4.491
   83    HB2  ASP  15           1HB      ASP  15   3.973   1.004   1.836
   84    HB3  ASP  15           2HB      ASP  15   2.439   0.478   2.523
   85    H    HIS  16           H        HIS  16   5.135  -2.725   3.762
   86    HA   HIS  16           HA       HIS  16   3.726  -4.050   1.652
   87    HB2  HIS  16           1HB      HIS  16   5.715  -4.833   3.725
   88    HB3  HIS  16           2HB      HIS  16   4.739  -6.112   3.010
   89    HD1  HIS  16           1HD      HIS  16   6.485  -3.107   1.445
   90    HD2  HIS  16           2HD      HIS  16   6.257  -7.240   1.088
   91    HE1  HIS  16           1HE      HIS  16   7.945  -3.695  -0.517
   92    HE2  HIS  16           2HE      HIS  16   7.724  -6.191  -0.766
   93    H    CYS  17           H        CYS  17   1.832  -5.078   1.717
   94    HA   CYS  17           HA       CYS  17   0.067  -4.835   3.868
   95    HB2  CYS  17           1HB      CYS  17  -0.544  -5.247   1.459
   96    HB3  CYS  17           2HB      CYS  17  -0.084  -6.930   1.695
   97    H    ALA  18           H        ALA  18  -0.172  -5.932   5.700
   98    HA   ALA  18           HA       ALA  18   1.574  -8.117   6.327
   99    HB1  ALA  18           3HB      ALA  18  -0.195  -8.021   8.399
  100    HB2  ALA  18           1HB      ALA  18   1.276  -7.055   8.276
  101    HB3  ALA  18           2HB      ALA  18  -0.273  -6.372   7.779
  102    H    ARG  19           H        ARG  19  -1.218  -8.006   4.600
  103    HA   ARG  19           HA       ARG  19  -2.286 -10.537   5.605
  104    HB2  ARG  19           1HB      ARG  19  -3.935  -8.823   5.198
  105    HB3  ARG  19           2HB      ARG  19  -3.336  -8.576   3.563
  106    HG2  ARG  19           1HG      ARG  19  -4.191 -10.640   2.826
  107    HG3  ARG  19           2HG      ARG  19  -4.472 -11.199   4.476
  108    HD2  ARG  19           1HD      ARG  19  -6.229  -9.578   4.776
  109    HD3  ARG  19           2HD      ARG  19  -5.886  -8.862   3.201
  110    HE   ARG  19           HE       ARG  19  -7.015 -10.599   2.186
  111   HH11  ARG  19          2HH1      ARG  19  -6.585 -11.267   5.576
  112   HH12  ARG  19          1HH1      ARG  19  -7.675 -12.613   5.582
  113   HH21  ARG  19          2HH2      ARG  19  -8.452 -12.370   2.182
  114   HH22  ARG  19          1HH2      ARG  19  -8.736 -13.241   3.651
  115    H    HIS  20           H        HIS  20  -1.007  -9.093   2.630
  116    HA   HIS  20           HA       HIS  20  -0.599 -11.818   1.582
  117    HB2  HIS  20           1HB      HIS  20  -0.850  -9.331  -0.107
  118    HB3  HIS  20           2HB      HIS  20  -0.912 -11.009  -0.637
  119    HD2  HIS  20           2HD      HIS  20  -3.380 -12.300  -0.229
  120    HE1  HIS  20           1HE      HIS  20  -5.461  -8.791   0.933
  121    HE2  HIS  20           2HE      HIS  20  -5.664 -11.231   0.344
  122    H    GLY  21           H        GLY  21   0.757  -8.587   1.942
  123    HA2  GLY  21           1HA      GLY  21   3.122  -8.440   2.524
  124    HA3  GLY  21           2HA      GLY  21   3.415  -9.747   1.386
  125    H    GLU  22           H        GLU  22   1.306  -8.212  -0.342
  126    HA   GLU  22           HA       GLU  22   3.198  -6.962  -2.031
  127    HB2  GLU  22           1HB      GLU  22   0.240  -7.242  -1.975
  128    HB3  GLU  22           2HB      GLU  22   0.903  -5.948  -2.963
  129    HG2  GLU  22           1HG      GLU  22   0.465  -8.314  -3.973
  130    HG3  GLU  22           2HG      GLU  22   1.886  -7.382  -4.439
  131    H    LYS  23           H        LYS  23   3.680  -4.828  -2.391
  132    HA   LYS  23           HA       LYS  23   3.594  -3.061  -0.218
  133    HB2  LYS  23           1HB      LYS  23   3.998  -2.350  -3.129
  134    HB3  LYS  23           2HB      LYS  23   4.500  -1.396  -1.739
  135    HG2  LYS  23           1HG      LYS  23   6.247  -2.810  -1.228
  136    HG3  LYS  23           2HG      LYS  23   5.519  -4.182  -2.068
  137    HD2  LYS  23           1HD      LYS  23   7.322  -3.487  -3.422
  138    HD3  LYS  23           2HD      LYS  23   5.869  -2.871  -4.212
  139    HE2  LYS  23           1HE      LYS  23   6.314  -0.683  -3.611
  140    HE3  LYS  23           2HE      LYS  23   7.338  -1.155  -2.256
  141    HZ1  LYS  23           3HZ      LYS  23   8.848  -2.094  -4.112
  142    HZ2  LYS  23           1HZ      LYS  23   8.860  -0.431  -3.800
  143    HZ3  LYS  23           2HZ      LYS  23   7.996  -1.037  -5.121
  144    H    LEU  24           H        LEU  24   2.309  -1.340   0.301
  145    HA   LEU  24           HA       LEU  24  -0.298  -1.260  -1.009
  146    HB2  LEU  24           1HB      LEU  24   0.607   0.148   1.495
  147    HB3  LEU  24           2HB      LEU  24  -1.050  -0.026   0.919
  148    HG   LEU  24           HG       LEU  24   0.551  -2.466   1.565
  149   HD11  LEU  24          1HD1      LEU  24  -0.394  -0.421   3.470
  150   HD12  LEU  24          2HD1      LEU  24   0.900  -1.610   3.624
  151   HD13  LEU  24          3HD1      LEU  24  -0.778  -2.097   3.865
  152   HD21  LEU  24          3HD2      LEU  24  -2.331  -2.045   2.180
  153   HD22  LEU  24          1HD2      LEU  24  -1.480  -3.510   1.689
  154   HD23  LEU  24          2HD2      LEU  24  -1.847  -2.263   0.497
  155    H    LEU  25           H        LEU  25  -0.220  -0.009  -2.791
  156    HA   LEU  25           HA       LEU  25   0.961   2.675  -2.538
  157    HB2  LEU  25           1HB      LEU  25   0.300   1.246  -5.099
  158    HB3  LEU  25           2HB      LEU  25   1.284   2.693  -4.892
  159    HG   LEU  25           HG       LEU  25   2.977   1.301  -3.715
  160   HD11  LEU  25          1HD1      LEU  25   1.000  -0.841  -4.381
  161   HD12  LEU  25          2HD1      LEU  25   1.873  -0.551  -2.877
  162   HD13  LEU  25          3HD1      LEU  25   2.721  -1.214  -4.274
  163   HD21  LEU  25          3HD2      LEU  25   2.242   0.487  -6.524
  164   HD22  LEU  25          1HD2      LEU  25   3.798   0.177  -5.754
  165   HD23  LEU  25          2HD2      LEU  25   3.276   1.836  -6.050
  166    H    LEU  26           H        LEU  26  -1.940   1.108  -2.480
  167    HA   LEU  26           HA       LEU  26  -3.386   3.361  -3.700
  168    HB2  LEU  26           1HB      LEU  26  -4.507   0.666  -2.970
  169    HB3  LEU  26           2HB      LEU  26  -5.268   1.916  -3.952
  170    HG   LEU  26           HG       LEU  26  -2.711   0.701  -4.891
  171   HD11  LEU  26          1HD1      LEU  26  -5.155  -0.772  -4.411
  172   HD12  LEU  26          2HD1      LEU  26  -3.566  -1.351  -4.909
  173   HD13  LEU  26          3HD1      LEU  26  -4.712  -0.771  -6.118
  174   HD21  LEU  26          3HD2      LEU  26  -3.803   2.632  -6.028
  175   HD22  LEU  26          1HD2      LEU  26  -5.184   1.589  -6.367
  176   HD23  LEU  26          2HD2      LEU  26  -3.603   1.210  -7.052
  177    H    PHE  27           H        PHE  27  -5.315   4.127  -2.607
  178    HA   PHE  27           HA       PHE  27  -5.304   3.651   0.295
  179    HB2  PHE  27           1HB      PHE  27  -4.150   5.800  -0.303
  180    HB3  PHE  27           2HB      PHE  27  -5.673   6.366  -0.982
  181    HD1  PHE  27           1HD      PHE  27  -7.683   6.512   0.559
  182    HD2  PHE  27           2HD      PHE  27  -3.698   6.025   1.970
  183    HE1  PHE  27           1HE      PHE  27  -8.375   7.319   2.778
  184    HE2  PHE  27           2HE      PHE  27  -4.383   6.830   4.192
  185    HZ   PHE  27           HZ       PHE  27  -6.724   7.478   4.598
  186    H    CYS  28           H        CYS  28  -7.188   2.730   0.753
  187    HA   CYS  28           HA       CYS  28  -9.515   3.059  -0.874
  188    HB2  CYS  28           1HB      CYS  28  -8.735   1.060   0.684
  189    HB3  CYS  28           2HB      CYS  28  -9.688   1.927   1.884
  190    H    GLN  29           H        GLN  29 -11.252   4.346  -0.595
  191    HA   GLN  29           HA       GLN  29 -11.054   6.426   1.432
  192    HB2  GLN  29           1HB      GLN  29 -12.657   6.073  -1.077
  193    HB3  GLN  29           2HB      GLN  29 -13.154   7.258   0.123
  194    HG2  GLN  29           1HG      GLN  29 -10.336   7.265  -0.834
  195    HG3  GLN  29           2HG      GLN  29 -11.601   7.927  -1.868
  196   HE21  GLN  29          1HE2      GLN  29  -9.299   8.893   0.061
  197   HE22  GLN  29          2HE2      GLN  29 -10.024  10.268   0.815
  198    H    GLU  30           H        GLU  30 -13.214   3.814   0.453
  199    HA   GLU  30           HA       GLU  30 -15.349   4.368   2.173
  200    HB2  GLU  30           1HB      GLU  30 -14.322   1.827   0.937
  201    HB3  GLU  30           2HB      GLU  30 -15.706   1.814   2.021
  202    HG2  GLU  30           1HG      GLU  30 -15.553   3.519  -0.449
  203    HG3  GLU  30           2HG      GLU  30 -16.246   1.898  -0.421
  204    H    ASP  31           H        ASP  31 -12.345   2.605   2.705
  205    HA   ASP  31           HA       ASP  31 -13.101   2.200   5.516
  206    HB2  ASP  31           1HB      ASP  31 -10.913   0.906   3.875
  207    HB3  ASP  31           2HB      ASP  31 -11.223   0.579   5.578
  208    H    GLY  32           H        GLY  32 -10.986   3.942   3.431
  209    HA2  GLY  32           1HA      GLY  32  -9.537   5.671   3.890
  210    HA3  GLY  32           2HA      GLY  32 -10.062   5.590   5.565
  211    H    LYS  33           H        LYS  33  -8.732   2.828   3.892
  212    HA   LYS  33           HA       LYS  33  -6.198   3.168   5.345
  213    HB2  LYS  33           1HB      LYS  33  -6.252   0.664   5.740
  214    HB3  LYS  33           2HB      LYS  33  -7.377   1.620   6.697
  215    HG2  LYS  33           1HG      LYS  33  -8.810   0.004   6.053
  216    HG3  LYS  33           2HG      LYS  33  -8.969   1.040   4.633
  217    HD2  LYS  33           1HD      LYS  33  -8.645  -1.151   3.808
  218    HD3  LYS  33           2HD      LYS  33  -7.100  -0.322   3.599
  219    HE2  LYS  33           1HE      LYS  33  -6.777  -2.576   4.472
  220    HE3  LYS  33           2HE      LYS  33  -6.260  -1.363   5.641
  221    HZ1  LYS  33           3HZ      LYS  33  -7.616  -2.284   7.107
  222    HZ2  LYS  33           1HZ      LYS  33  -8.167  -3.401   5.962
  223    HZ3  LYS  33           2HZ      LYS  33  -8.946  -1.910   6.131
  224    H    VAL  34           H        VAL  34  -4.375   2.437   4.309
  225    HA   VAL  34           HA       VAL  34  -4.476   2.240   1.484
  226    HB   VAL  34           HB       VAL  34  -2.001   1.428   1.888
  227   HG11  VAL  34          1HG1      VAL  34  -2.490   3.547   0.914
  228   HG12  VAL  34          2HG1      VAL  34  -3.054   4.193   2.457
  229   HG13  VAL  34          3HG1      VAL  34  -1.345   3.823   2.226
  230   HG21  VAL  34          3HG2      VAL  34  -2.419   2.854   4.486
  231   HG22  VAL  34          1HG2      VAL  34  -2.630   1.106   4.380
  232   HG23  VAL  34          2HG2      VAL  34  -1.075   1.833   3.976
  233    H    ILE  35           H        ILE  35  -4.695   0.530   0.194
  234    HA   ILE  35           HA       ILE  35  -4.306  -2.154   1.344
  235    HB   ILE  35           HB       ILE  35  -6.175  -3.004   0.080
  236   HG12  ILE  35          1HG1      ILE  35  -6.805  -0.192  -0.808
  237   HG13  ILE  35          2HG1      ILE  35  -5.857  -1.297  -1.798
  238   HG21  ILE  35          1HG2      ILE  35  -8.006  -1.922   1.241
  239   HG22  ILE  35          2HG2      ILE  35  -6.609  -2.059   2.308
  240   HG23  ILE  35          3HG2      ILE  35  -6.999  -0.511   1.560
  241   HD11  ILE  35          3HD1      ILE  35  -8.115  -1.358  -2.547
  242   HD12  ILE  35          1HD1      ILE  35  -7.769  -2.883  -1.732
  243   HD13  ILE  35          2HD1      ILE  35  -8.707  -1.636  -0.909
  244    H    CYS  36           H        CYS  36  -3.786  -3.829  -0.210
  245    HA   CYS  36           HA       CYS  36  -2.182  -2.763  -2.421
  246    HB2  CYS  36           1HB      CYS  36  -0.981  -4.871  -2.371
  247    HB3  CYS  36           2HB      CYS  36  -1.047  -4.196  -0.746
  248    H    TRP  37           H        TRP  37  -1.969  -4.585  -4.236
  249    HA   TRP  37           HA       TRP  37  -4.296  -4.541  -5.721
  250    HB2  TRP  37           1HB      TRP  37  -2.481  -6.863  -6.126
  251    HB3  TRP  37           2HB      TRP  37  -3.148  -5.735  -7.303
  252    HD1  TRP  37           HD       TRP  37   0.064  -6.681  -6.249
  253    HE1  TRP  37           1HE      TRP  37   1.776  -4.761  -6.332
  254    HE3  TRP  37           3HE      TRP  37  -3.164  -2.725  -6.497
  255    HZ2  TRP  37           2HZ      TRP  37   1.760  -1.942  -6.483
  256    HZ3  TRP  37           3HZ      TRP  37  -2.235  -0.449  -6.607
  257    HH2  TRP  37           HH       TRP  37   0.176  -0.068  -6.600
  258    H    LEU  38           H        LEU  38  -2.963  -7.402  -4.052
  259    HA   LEU  38           HA       LEU  38  -4.993  -9.180  -4.468
  260    HB2  LEU  38           1HB      LEU  38  -3.235  -8.757  -2.072
  261    HB3  LEU  38           2HB      LEU  38  -4.388 -10.087  -2.156
  262    HG   LEU  38           HG       LEU  38  -2.119 -10.804  -2.723
  263   HD11  LEU  38          1HD1      LEU  38  -3.099 -11.178  -5.361
  264   HD12  LEU  38          2HD1      LEU  38  -4.468 -11.221  -4.250
  265   HD13  LEU  38          3HD1      LEU  38  -3.104 -12.312  -4.010
  266   HD21  LEU  38          3HD2      LEU  38  -2.302  -9.087  -5.182
  267   HD22  LEU  38          1HD2      LEU  38  -0.909  -9.972  -4.557
  268   HD23  LEU  38          2HD2      LEU  38  -1.498  -8.542  -3.708
  269    H    CYS  39           H        CYS  39  -4.843  -6.660  -1.988
  270    HA   CYS  39           HA       CYS  39  -7.251  -7.370  -0.682
  271    HB2  CYS  39           1HB      CYS  39  -5.567  -4.883  -0.756
  272    HB3  CYS  39           2HB      CYS  39  -7.116  -4.890   0.080
  273    H    GLU  40           H        GLU  40  -6.596  -4.587  -2.821
  274    HA   GLU  40           HA       GLU  40  -9.146  -3.659  -3.150
  275    HB2  GLU  40           1HB      GLU  40  -7.233  -2.502  -4.086
  276    HB3  GLU  40           2HB      GLU  40  -6.951  -3.815  -5.221
  277    HG2  GLU  40           1HG      GLU  40  -8.118  -1.676  -6.045
  278    HG3  GLU  40           2HG      GLU  40  -8.755  -3.243  -6.541
  279    H    ARG  41           H        ARG  41  -7.580  -6.258  -4.988
  280    HA   ARG  41           HA       ARG  41  -9.820  -6.754  -6.670
  281    HB2  ARG  41           1HB      ARG  41  -8.617  -8.664  -7.449
  282    HB3  ARG  41           2HB      ARG  41  -7.443  -7.381  -7.185
  283    HG2  ARG  41           1HG      ARG  41  -6.694  -8.388  -5.154
  284    HG3  ARG  41           2HG      ARG  41  -8.000  -9.574  -5.202
  285    HD2  ARG  41           1HD      ARG  41  -5.864  -9.334  -7.313
  286    HD3  ARG  41           2HD      ARG  41  -5.766 -10.433  -5.938
  287    HE   ARG  41           HE       ARG  41  -8.171 -10.725  -7.485
  288   HH11  ARG  41          2HH1      ARG  41  -4.837 -11.675  -7.165
  289   HH12  ARG  41          1HH1      ARG  41  -5.042 -13.163  -8.028
  290   HH21  ARG  41          2HH2      ARG  41  -8.454 -12.682  -8.623
  291   HH22  ARG  41          1HH2      ARG  41  -7.099 -13.734  -8.858
  292    H    SER  42           H        SER  42  -9.030  -7.629  -3.451
  293    HA   SER  42           HA       SER  42 -10.559 -10.028  -3.291
  294    HB2  SER  42           1HB      SER  42  -8.702  -9.235  -1.701
  295    HB3  SER  42           2HB      SER  42  -9.938  -8.220  -0.959
  296    HG   SER  42           HG       SER  42 -10.502 -10.930  -1.354
  297    H    GLN  43           H        GLN  43 -12.652 -10.358  -2.713
  298    HA   GLN  43           HA       GLN  43 -14.577  -8.438  -3.256
  299    HB2  GLN  43           1HB      GLN  43 -14.894 -10.943  -3.133
  300    HB3  GLN  43           2HB      GLN  43 -14.969 -10.773  -1.384
  301    HG2  GLN  43           1HG      GLN  43 -16.782  -9.104  -3.042
  302    HG3  GLN  43           2HG      GLN  43 -17.141 -10.820  -2.865
  303   HE21  GLN  43          1HE2      GLN  43 -18.265  -8.151  -1.809
  304   HE22  GLN  43          2HE2      GLN  43 -18.521  -8.472  -0.131
  305    H    GLU  44           H        GLU  44 -12.594  -8.700  -0.537
  306    HA   GLU  44           HA       GLU  44 -14.369  -7.614   1.418
  307    HB2  GLU  44           1HB      GLU  44 -12.077  -8.918   1.664
  308    HB3  GLU  44           2HB      GLU  44 -11.411  -7.291   1.647
  309    HG2  GLU  44           1HG      GLU  44 -12.419  -6.710   3.636
  310    HG3  GLU  44           2HG      GLU  44 -13.665  -7.948   3.486
  311    H    HIS  45           H        HIS  45 -11.970  -6.272  -0.790
  312    HA   HIS  45           HA       HIS  45 -12.865  -3.572  -0.015
  313    HB2  HIS  45           1HB      HIS  45 -10.160  -4.599  -0.821
  314    HB3  HIS  45           2HB      HIS  45 -10.576  -2.903  -1.052
  315    HD2  HIS  45           2HD      HIS  45  -9.154  -5.141   1.632
  316    HE1  HIS  45           1HE      HIS  45 -10.562  -1.671   3.626
  317    HE2  HIS  45           2HE      HIS  45  -9.114  -3.725   3.796
  318    H    ARG  46           H        ARG  46 -13.320  -5.804  -2.291
  319    HA   ARG  46           HA       ARG  46 -12.805  -4.542  -4.738
  320    HB2  ARG  46           1HB      ARG  46 -14.014  -6.242  -5.711
  321    HB3  ARG  46           2HB      ARG  46 -13.628  -6.971  -4.158
  322    HG2  ARG  46           1HG      ARG  46 -15.850  -7.458  -4.301
  323    HG3  ARG  46           2HG      ARG  46 -15.924  -5.912  -3.453
  324    HD2  ARG  46           1HD      ARG  46 -17.517  -5.675  -5.127
  325    HD3  ARG  46           2HD      ARG  46 -16.098  -4.879  -5.806
  326    HE   ARG  46           HE       ARG  46 -17.243  -7.430  -6.649
  327   HH11  ARG  46          2HH1      ARG  46 -14.753  -5.019  -6.978
  328   HH12  ARG  46          1HH1      ARG  46 -14.231  -5.583  -8.531
  329   HH21  ARG  46          2HH2      ARG  46 -16.565  -8.181  -8.693
  330   HH22  ARG  46          1HH2      ARG  46 -15.263  -7.381  -9.506
  331    H    GLY  47           H        GLY  47 -14.033  -3.234  -6.074
  332    HA2  GLY  47           1HA      GLY  47 -15.799  -1.854  -6.699
  333    HA3  GLY  47           2HA      GLY  47 -16.663  -2.350  -5.251
  334    H    HIS  48           H        HIS  48 -14.319  -1.676  -3.548
  335    HA   HIS  48           HA       HIS  48 -15.064   0.959  -2.884
  336    HB2  HIS  48           1HB      HIS  48 -12.516  -0.464  -2.094
  337    HB3  HIS  48           2HB      HIS  48 -13.279   0.883  -1.253
  338    HD2  HIS  48           2HD      HIS  48 -16.105  -1.377  -2.039
  339    HE1  HIS  48           1HE      HIS  48 -14.573  -2.819   1.645
  340    HE2  HIS  48           2HE      HIS  48 -16.458  -2.955  -0.020
  341    H    HIS  49           H        HIS  49 -14.294   2.904  -3.469
  342    HA   HIS  49           HA       HIS  49 -12.590   3.091  -5.756
  343    HB2  HIS  49           1HB      HIS  49 -13.849   5.150  -3.947
  344    HB3  HIS  49           2HB      HIS  49 -12.799   5.592  -5.291
  345    HD1  HIS  49           1HD      HIS  49 -16.255   4.977  -4.495
  346    HD2  HIS  49           2HD      HIS  49 -13.863   4.542  -7.863
  347    HE1  HIS  49           1HE      HIS  49 -17.848   4.821  -6.434
  348    HE2  HIS  49           2HE      HIS  49 -16.381   4.472  -8.452
  349    H    THR  50           H        THR  50 -10.462   2.860  -5.661
  350    HA   THR  50           HA       THR  50  -9.039   3.838  -3.274
  351    HB   THR  50           HB       THR  50  -7.228   2.276  -3.867
  352    HG1  THR  50           1HG      THR  50  -8.922   1.812  -6.062
  353   HG21  THR  50          3HG2      THR  50  -9.066   0.185  -3.816
  354   HG22  THR  50          1HG2      THR  50  -9.900   1.528  -3.037
  355   HG23  THR  50          2HG2      THR  50  -8.339   0.984  -2.422
  356    H    PHE  51           H        PHE  51  -7.027   4.909  -3.558
  357    HA   PHE  51           HA       PHE  51  -6.467   5.887  -6.267
  358    HB2  PHE  51           1HB      PHE  51  -6.541   7.688  -3.841
  359    HB3  PHE  51           2HB      PHE  51  -6.261   8.168  -5.512
  360    HD1  PHE  51           1HD      PHE  51  -8.813   6.618  -3.300
  361    HD2  PHE  51           2HD      PHE  51  -8.033   8.851  -6.839
  362    HE1  PHE  51           1HE      PHE  51 -11.227   6.996  -3.590
  363    HE2  PHE  51           2HE      PHE  51 -10.445   9.233  -7.134
  364    HZ   PHE  51           HZ       PHE  51 -12.046   8.305  -5.508
  365    HA   PRO  52           HA       PRO  52  -2.280   5.022  -5.251
  366    HB2  PRO  52           1HB      PRO  52  -1.025   6.730  -6.947
  367    HB3  PRO  52           2HB      PRO  52  -1.835   5.257  -7.493
  368    HG2  PRO  52           1HG      PRO  52  -2.821   8.083  -7.526
  369    HG3  PRO  52           2HG      PRO  52  -2.957   6.836  -8.779
  370    HD2  PRO  52           1HD      PRO  52  -5.000   7.457  -7.114
  371    HD3  PRO  52           2HD      PRO  52  -4.750   5.818  -7.748
  372    H    THR  53           H        THR  53  -2.298   5.841  -3.091
  373    HA   THR  53           HA       THR  53  -1.773   8.635  -2.608
  374    HB   THR  53           HB       THR  53  -3.114   7.356  -1.005
  375    HG1  THR  53           1HG      THR  53  -0.786   8.693  -0.330
  376   HG21  THR  53          3HG2      THR  53  -1.795   5.214  -1.351
  377   HG22  THR  53          1HG2      THR  53  -2.247   5.589   0.311
  378   HG23  THR  53          2HG2      THR  53  -0.599   5.885  -0.243
  379    H    SER  54           H        SER  54   0.059   5.646  -2.726
  380    HA   SER  54           HA       SER  54   2.513   7.175  -2.155
  381    HB2  SER  54           1HB      SER  54   1.996   5.353  -0.530
  382    HB3  SER  54           2HB      SER  54   2.097   4.192  -1.853
  383    HG   SER  54           HG       SER  54   4.078   4.287  -0.804
  384    H    GLY  55           H        GLY  55   0.986   4.813  -4.268
  385    HA2  GLY  55           1HA      GLY  55   3.017   5.430  -6.300
  386    HA3  GLY  55           2HA      GLY  55   2.697   3.747  -5.909
  387    HA   PRO  56           HA       PRO  56  -0.494   5.754  -8.935
  388    HB2  PRO  56           1HB      PRO  56   0.779   5.569 -11.326
  389    HB3  PRO  56           2HB      PRO  56   0.848   7.013 -10.310
  390    HG2  PRO  56           1HG      PRO  56   2.848   4.804 -10.601
  391    HG3  PRO  56           2HG      PRO  56   3.118   6.555 -10.519
  392    HD2  PRO  56           1HD      PRO  56   3.483   4.923  -8.389
  393    HD3  PRO  56           2HD      PRO  56   2.933   6.603  -8.222
  394    H    SER  57           H        SER  57  -1.948   4.369  -9.770
  395    HA   SER  57           HA       SER  57  -1.011   1.698 -10.587
  396    HB2  SER  57           1HB      SER  57  -2.159   1.726  -8.342
  397    HB3  SER  57           2HB      SER  57  -3.624   2.256  -9.169
  398    HG   SER  57           HG       SER  57  -3.034   0.245 -10.542
  399    H    SER  58           H        SER  58  -1.974   0.779 -12.362
  400    HA   SER  58           HA       SER  58  -4.178   2.193 -13.659
  401    HB2  SER  58           1HB      SER  58  -3.073   2.536 -15.709
  402    HB3  SER  58           2HB      SER  58  -1.884   3.025 -14.502
  403    HG   SER  58           HG       SER  58  -1.440   0.508 -14.812
  404    H    GLY  59           H        GLY  59  -5.194   0.944 -15.372
  405    HA2  GLY  59           1HA      GLY  59  -4.452  -1.815 -15.735
  406    HA3  GLY  59           2HA      GLY  59  -5.873  -1.610 -14.723
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   5.455 -27.748  -7.231
    2    HA2  GLY   1           1HA      GLY   1   4.397 -25.594  -7.964
    3    HA3  GLY   1           2HA      GLY   1   4.621 -25.070  -6.302
    4    H    SER   2           H        SER   2   6.044 -23.437  -6.498
    5    HA   SER   2           HA       SER   2   8.328 -23.657  -8.263
    6    HB2  SER   2           1HB      SER   2   8.843 -21.366  -7.518
    7    HB3  SER   2           2HB      SER   2   7.167 -21.505  -8.048
    8    HG   SER   2           HG       SER   2   7.043 -20.456  -6.144
    9    H    SER   3           H        SER   3  10.509 -22.952  -7.347
   10    HA   SER   3           HA       SER   3  11.252 -24.826  -5.323
   11    HB2  SER   3           1HB      SER   3  12.708 -22.813  -6.996
   12    HB3  SER   3           2HB      SER   3  13.518 -23.514  -5.595
   13    HG   SER   3           HG       SER   3  12.452 -25.537  -6.817
   14    H    GLY   4           H        GLY   4  11.220 -24.536  -3.199
   15    HA2  GLY   4           1HA      GLY   4  10.570 -21.986  -2.059
   16    HA3  GLY   4           2HA      GLY   4  10.884 -23.473  -1.177
   17    H    SER   5           H        SER   5  11.926 -21.756   0.235
   18    HA   SER   5           HA       SER   5  13.797 -20.823   1.133
   19    HB2  SER   5           1HB      SER   5  15.041 -22.921  -0.647
   20    HB3  SER   5           2HB      SER   5  15.995 -21.910   0.438
   21    HG   SER   5           HG       SER   5  14.866 -22.766   2.177
   22    H    SER   6           H        SER   6  12.647 -19.392  -0.953
   23    HA   SER   6           HA       SER   6  14.990 -18.284  -2.355
   24    HB2  SER   6           1HB      SER   6  12.067 -18.199  -3.142
   25    HB3  SER   6           2HB      SER   6  13.371 -17.399  -4.019
   26    HG   SER   6           HG       SER   6  12.540 -19.817  -4.399
   27    H    GLY   7           H        GLY   7  15.681 -16.400  -1.604
   28    HA2  GLY   7           1HA      GLY   7  14.118 -14.128  -1.234
   29    HA3  GLY   7           2HA      GLY   7  14.271 -14.896   0.339
   30    H    SER   8           H        SER   8  15.246 -12.342  -0.170
   31    HA   SER   8           HA       SER   8  18.130 -12.803   0.150
   32    HB2  SER   8           1HB      SER   8  16.868 -10.590  -1.486
   33    HB3  SER   8           2HB      SER   8  18.587 -10.719  -1.112
   34    HG   SER   8           HG       SER   8  17.012 -12.259  -2.837
   35    HA   PRO   9           HA       PRO   9  17.811 -10.316   3.753
   36    HB2  PRO   9           1HB      PRO   9  20.281  -9.192   3.825
   37    HB3  PRO   9           2HB      PRO   9  19.989 -10.896   4.196
   38    HG2  PRO   9           1HG      PRO   9  20.975  -9.651   1.658
   39    HG3  PRO   9           2HG      PRO   9  21.545 -11.115   2.481
   40    HD2  PRO   9           1HD      PRO   9  19.894 -11.199   0.336
   41    HD3  PRO   9           2HD      PRO   9  19.836 -12.409   1.634
   42    H    GLU  10           H        GLU  10  18.357  -8.922   0.672
   43    HA   GLU  10           HA       GLU  10  17.822  -6.230   1.741
   44    HB2  GLU  10           1HB      GLU  10  19.955  -6.831   0.300
   45    HB3  GLU  10           2HB      GLU  10  18.830  -6.650  -1.038
   46    HG2  GLU  10           1HG      GLU  10  18.252  -4.385   0.017
   47    HG3  GLU  10           2HG      GLU  10  19.738  -4.598   0.942
   48    H    GLY  11           H        GLY  11  15.956  -5.272   1.233
   49    HA2  GLY  11           1HA      GLY  11  14.588  -5.671  -1.229
   50    HA3  GLY  11           2HA      GLY  11  13.827  -6.595   0.057
   51    H    GLN  12           H        GLN  12  13.527  -3.849  -1.599
   52    HA   GLN  12           HA       GLN  12  13.207  -1.821   0.298
   53    HB2  GLN  12           1HB      GLN  12  11.749  -0.739  -1.392
   54    HB3  GLN  12           2HB      GLN  12  13.270  -1.312  -2.062
   55    HG2  GLN  12           1HG      GLN  12  12.026  -3.372  -2.810
   56    HG3  GLN  12           2HG      GLN  12  10.543  -2.530  -2.367
   57   HE21  GLN  12          1HE2      GLN  12  11.087  -3.420  -4.948
   58   HE22  GLN  12          2HE2      GLN  12  11.261  -2.047  -5.982
   59    H    LYS  13           H        LYS  13  12.004  -2.031   2.074
   60    HA   LYS  13           HA       LYS  13   9.339  -3.255   1.833
   61    HB2  LYS  13           1HB      LYS  13   9.503  -3.440   4.355
   62    HB3  LYS  13           2HB      LYS  13  10.610  -4.453   3.437
   63    HG2  LYS  13           1HG      LYS  13  12.422  -2.901   3.853
   64    HG3  LYS  13           2HG      LYS  13  11.321  -1.814   4.703
   65    HD2  LYS  13           1HD      LYS  13  10.850  -3.791   6.253
   66    HD3  LYS  13           2HD      LYS  13  12.275  -4.542   5.531
   67    HE2  LYS  13           1HE      LYS  13  13.112  -3.484   7.431
   68    HE3  LYS  13           2HE      LYS  13  13.477  -2.352   6.130
   69    HZ1  LYS  13           3HZ      LYS  13  11.113  -1.441   6.850
   70    HZ2  LYS  13           1HZ      LYS  13  12.544  -0.922   7.589
   71    HZ3  LYS  13           2HZ      LYS  13  11.586  -2.101   8.334
   72    H    VAL  14           H        VAL  14   7.871  -1.710   1.472
   73    HA   VAL  14           HA       VAL  14   7.762   0.538   3.353
   74    HB   VAL  14           HB       VAL  14   8.728   1.607   1.486
   75   HG11  VAL  14          1HG1      VAL  14   8.226   1.235  -0.759
   76   HG12  VAL  14          2HG1      VAL  14   8.148  -0.377  -0.046
   77   HG13  VAL  14          3HG1      VAL  14   6.662   0.510  -0.389
   78   HG21  VAL  14          3HG2      VAL  14   5.748   2.004   1.227
   79   HG22  VAL  14          1HG2      VAL  14   6.776   2.766   2.440
   80   HG23  VAL  14          2HG2      VAL  14   7.004   3.138   0.732
   81    H    ASP  15           H        ASP  15   5.967  -0.062   4.434
   82    HA   ASP  15           HA       ASP  15   3.781  -0.510   4.882
   83    HB2  ASP  15           1HB      ASP  15   3.733   1.605   3.267
   84    HB3  ASP  15           2HB      ASP  15   2.917   0.464   2.201
   85    H    HIS  16           H        HIS  16   5.122  -2.698   4.040
   86    HA   HIS  16           HA       HIS  16   3.842  -4.011   1.844
   87    HB2  HIS  16           1HB      HIS  16   5.833  -4.784   3.930
   88    HB3  HIS  16           2HB      HIS  16   4.993  -6.065   3.060
   89    HD1  HIS  16           1HD      HIS  16   6.481  -2.797   1.790
   90    HD2  HIS  16           2HD      HIS  16   6.742  -6.898   1.178
   91    HE1  HIS  16           1HE      HIS  16   8.078  -3.089  -0.130
   92    HE2  HIS  16           2HE      HIS  16   8.154  -5.574  -0.538
   93    H    CYS  17           H        CYS  17   1.949  -5.019   1.836
   94    HA   CYS  17           HA       CYS  17   0.206  -5.090   4.004
   95    HB2  CYS  17           1HB      CYS  17  -0.431  -5.294   1.590
   96    HB3  CYS  17           2HB      CYS  17   0.151  -6.955   1.626
   97    H    ALA  18           H        ALA  18   0.111  -6.321   5.756
   98    HA   ALA  18           HA       ALA  18   1.935  -8.487   6.152
   99    HB1  ALA  18           3HB      ALA  18   1.549  -7.329   8.106
  100    HB2  ALA  18           1HB      ALA  18  -0.182  -7.177   7.801
  101    HB3  ALA  18           2HB      ALA  18   0.491  -8.726   8.311
  102    H    ARG  19           H        ARG  19  -0.886  -8.349   4.476
  103    HA   ARG  19           HA       ARG  19  -1.809 -11.015   5.258
  104    HB2  ARG  19           1HB      ARG  19  -3.527  -9.301   5.062
  105    HB3  ARG  19           2HB      ARG  19  -3.027  -8.954   3.413
  106    HG2  ARG  19           1HG      ARG  19  -3.836 -11.026   2.626
  107    HG3  ARG  19           2HG      ARG  19  -4.033 -11.651   4.265
  108    HD2  ARG  19           1HD      ARG  19  -5.683  -9.705   4.583
  109    HD3  ARG  19           2HD      ARG  19  -5.670  -9.593   2.823
  110    HE   ARG  19           HE       ARG  19  -6.218 -12.227   3.883
  111   HH11  ARG  19          2HH1      ARG  19  -7.539  -9.203   2.773
  112   HH12  ARG  19          1HH1      ARG  19  -9.098  -9.867   2.413
  113   HH21  ARG  19          2HH2      ARG  19  -8.266 -13.113   3.413
  114   HH22  ARG  19          1HH2      ARG  19  -9.511 -12.091   2.778
  115    H    HIS  20           H        HIS  20  -0.684  -9.213   2.421
  116    HA   HIS  20           HA       HIS  20  -0.193 -11.792   1.080
  117    HB2  HIS  20           1HB      HIS  20  -0.649  -9.135  -0.285
  118    HB3  HIS  20           2HB      HIS  20  -0.547 -10.720  -1.045
  119    HD2  HIS  20           2HD      HIS  20  -2.883 -12.241  -0.954
  120    HE1  HIS  20           1HE      HIS  20  -5.269  -9.258   0.892
  121    HE2  HIS  20           2HE      HIS  20  -5.249 -11.535  -0.184
  122    H    GLY  21           H        GLY  21   1.049  -8.588   1.816
  123    HA2  GLY  21           1HA      GLY  21   3.399  -8.341   2.319
  124    HA3  GLY  21           2HA      GLY  21   3.739  -9.567   1.107
  125    H    GLU  22           H        GLU  22   1.530  -8.004  -0.490
  126    HA   GLU  22           HA       GLU  22   3.316  -6.632  -2.176
  127    HB2  GLU  22           1HB      GLU  22   0.369  -6.913  -1.968
  128    HB3  GLU  22           2HB      GLU  22   0.967  -5.536  -2.883
  129    HG2  GLU  22           1HG      GLU  22   0.483  -7.864  -4.019
  130    HG3  GLU  22           2HG      GLU  22   1.801  -6.822  -4.552
  131    H    LYS  23           H        LYS  23   3.756  -4.466  -2.461
  132    HA   LYS  23           HA       LYS  23   3.777  -2.845  -0.147
  133    HB2  LYS  23           1HB      LYS  23   4.230  -2.050  -3.030
  134    HB3  LYS  23           2HB      LYS  23   4.674  -1.096  -1.620
  135    HG2  LYS  23           1HG      LYS  23   6.431  -2.471  -1.070
  136    HG3  LYS  23           2HG      LYS  23   5.741  -3.865  -1.905
  137    HD2  LYS  23           1HD      LYS  23   7.567  -3.163  -3.227
  138    HD3  LYS  23           2HD      LYS  23   6.123  -2.583  -4.061
  139    HE2  LYS  23           1HE      LYS  23   6.449  -0.365  -3.149
  140    HE3  LYS  23           2HE      LYS  23   7.826  -0.926  -2.202
  141    HZ1  LYS  23           3HZ      LYS  23   7.656  -0.301  -5.036
  142    HZ2  LYS  23           1HZ      LYS  23   8.598  -1.647  -4.631
  143    HZ3  LYS  23           2HZ      LYS  23   8.955  -0.134  -3.965
  144    H    LEU  24           H        LEU  24   2.229  -1.618   0.684
  145    HA   LEU  24           HA       LEU  24  -0.275  -1.268  -0.646
  146    HB2  LEU  24           1HB      LEU  24   0.730   0.051   1.870
  147    HB3  LEU  24           2HB      LEU  24  -0.947  -0.054   1.339
  148    HG   LEU  24           HG       LEU  24   0.606  -2.555   1.861
  149   HD11  LEU  24          1HD1      LEU  24  -0.276  -2.476   4.196
  150   HD12  LEU  24          2HD1      LEU  24  -0.668  -0.778   3.930
  151   HD13  LEU  24          3HD1      LEU  24   1.010  -1.316   3.858
  152   HD21  LEU  24          3HD2      LEU  24  -1.381  -3.540   1.645
  153   HD22  LEU  24          1HD2      LEU  24  -1.962  -2.004   1.003
  154   HD23  LEU  24          2HD2      LEU  24  -2.162  -2.376   2.715
  155    H    LEU  25           H        LEU  25  -0.258   0.028  -2.398
  156    HA   LEU  25           HA       LEU  25   0.818   2.750  -2.057
  157    HB2  LEU  25           1HB      LEU  25   0.467   1.296  -4.668
  158    HB3  LEU  25           2HB      LEU  25   1.293   2.828  -4.395
  159    HG   LEU  25           HG       LEU  25   2.246   0.171  -3.331
  160   HD11  LEU  25          1HD1      LEU  25   2.811  -0.242  -5.454
  161   HD12  LEU  25          2HD1      LEU  25   4.060   0.978  -5.206
  162   HD13  LEU  25          3HD1      LEU  25   2.528   1.425  -5.956
  163   HD21  LEU  25          3HD2      LEU  25   3.208   1.769  -1.970
  164   HD22  LEU  25          1HD2      LEU  25   3.285   2.972  -3.256
  165   HD23  LEU  25          2HD2      LEU  25   4.409   1.614  -3.253
  166    H    LEU  26           H        LEU  26  -1.968   1.043  -2.149
  167    HA   LEU  26           HA       LEU  26  -3.463   3.200  -3.485
  168    HB2  LEU  26           1HB      LEU  26  -4.299   0.356  -2.937
  169    HB3  LEU  26           2HB      LEU  26  -5.289   1.580  -3.728
  170    HG   LEU  26           HG       LEU  26  -4.539   0.406  -5.542
  171   HD11  LEU  26          1HD1      LEU  26  -2.141   2.185  -5.262
  172   HD12  LEU  26          2HD1      LEU  26  -3.754   2.839  -5.546
  173   HD13  LEU  26          3HD1      LEU  26  -3.029   1.741  -6.720
  174   HD21  LEU  26          3HD2      LEU  26  -1.808  -0.072  -5.319
  175   HD22  LEU  26          1HD2      LEU  26  -3.109  -1.248  -5.139
  176   HD23  LEU  26          2HD2      LEU  26  -2.459  -0.429  -3.719
  177    H    PHE  27           H        PHE  27  -4.797   4.428  -2.315
  178    HA   PHE  27           HA       PHE  27  -5.224   3.690   0.497
  179    HB2  PHE  27           1HB      PHE  27  -4.062   5.844   0.040
  180    HB3  PHE  27           2HB      PHE  27  -5.503   6.408  -0.801
  181    HD1  PHE  27           1HD      PHE  27  -7.687   6.481   0.537
  182    HD2  PHE  27           2HD      PHE  27  -3.837   6.161   2.325
  183    HE1  PHE  27           1HE      PHE  27  -8.611   7.298   2.666
  184    HE2  PHE  27           2HE      PHE  27  -4.755   6.977   4.457
  185    HZ   PHE  27           HZ       PHE  27  -7.145   7.546   4.630
  186    H    CYS  28           H        CYS  28  -7.094   2.629   0.710
  187    HA   CYS  28           HA       CYS  28  -9.326   2.913  -0.989
  188    HB2  CYS  28           1HB      CYS  28  -8.739   0.954   0.554
  189    HB3  CYS  28           2HB      CYS  28  -9.458   1.907   1.849
  190    H    GLN  29           H        GLN  29 -11.155   4.121  -0.860
  191    HA   GLN  29           HA       GLN  29 -11.090   6.381   0.972
  192    HB2  GLN  29           1HB      GLN  29 -12.912   7.280  -0.419
  193    HB3  GLN  29           2HB      GLN  29 -11.504   6.848  -1.379
  194    HG2  GLN  29           1HG      GLN  29 -13.102   5.939  -2.690
  195    HG3  GLN  29           2HG      GLN  29 -12.836   4.569  -1.613
  196   HE21  GLN  29          1HE2      GLN  29 -14.783   3.653  -1.498
  197   HE22  GLN  29          2HE2      GLN  29 -16.230   4.452  -0.997
  198    H    GLU  30           H        GLU  30 -13.141   3.621   0.178
  199    HA   GLU  30           HA       GLU  30 -15.321   4.256   1.820
  200    HB2  GLU  30           1HB      GLU  30 -14.908   2.327   0.044
  201    HB3  GLU  30           2HB      GLU  30 -14.511   1.406   1.487
  202    HG2  GLU  30           1HG      GLU  30 -17.054   2.961   1.367
  203    HG3  GLU  30           2HG      GLU  30 -16.934   1.396   0.566
  204    H    ASP  31           H        ASP  31 -12.472   2.232   2.488
  205    HA   ASP  31           HA       ASP  31 -13.207   2.091   5.305
  206    HB2  ASP  31           1HB      ASP  31 -10.971   0.799   3.732
  207    HB3  ASP  31           2HB      ASP  31 -11.210   0.581   5.464
  208    H    GLY  32           H        GLY  32 -11.034   3.771   3.202
  209    HA2  GLY  32           1HA      GLY  32  -9.699   5.602   3.637
  210    HA3  GLY  32           2HA      GLY  32 -10.252   5.552   5.304
  211    H    LYS  33           H        LYS  33  -8.853   2.725   3.863
  212    HA   LYS  33           HA       LYS  33  -6.344   3.227   5.322
  213    HB2  LYS  33           1HB      LYS  33  -6.317   0.729   5.768
  214    HB3  LYS  33           2HB      LYS  33  -7.499   1.664   6.675
  215    HG2  LYS  33           1HG      LYS  33  -8.857  -0.016   6.030
  216    HG3  LYS  33           2HG      LYS  33  -9.017   0.987   4.586
  217    HD2  LYS  33           1HD      LYS  33  -8.547  -1.067   3.656
  218    HD3  LYS  33           2HD      LYS  33  -6.930  -0.368   3.775
  219    HE2  LYS  33           1HE      LYS  33  -8.016  -1.998   6.032
  220    HE3  LYS  33           2HE      LYS  33  -7.374  -2.804   4.601
  221    HZ1  LYS  33           3HZ      LYS  33  -5.366  -1.242   5.005
  222    HZ2  LYS  33           1HZ      LYS  33  -5.529  -2.647   5.933
  223    HZ3  LYS  33           2HZ      LYS  33  -5.969  -1.149   6.583
  224    H    VAL  34           H        VAL  34  -4.458   2.392   4.414
  225    HA   VAL  34           HA       VAL  34  -4.463   2.180   1.570
  226    HB   VAL  34           HB       VAL  34  -1.982   1.483   2.044
  227   HG11  VAL  34          1HG1      VAL  34  -3.111   4.211   2.653
  228   HG12  VAL  34          2HG1      VAL  34  -1.402   3.878   2.366
  229   HG13  VAL  34          3HG1      VAL  34  -2.583   3.603   1.085
  230   HG21  VAL  34          3HG2      VAL  34  -2.657   1.120   4.522
  231   HG22  VAL  34          1HG2      VAL  34  -1.118   1.898   4.153
  232   HG23  VAL  34          2HG2      VAL  34  -2.504   2.872   4.643
  233    H    ILE  35           H        ILE  35  -4.723   0.429   0.359
  234    HA   ILE  35           HA       ILE  35  -4.190  -2.208   1.560
  235    HB   ILE  35           HB       ILE  35  -6.037  -3.133   0.212
  236   HG12  ILE  35          1HG1      ILE  35  -6.718  -0.240  -0.357
  237   HG13  ILE  35          2HG1      ILE  35  -6.034  -1.360  -1.530
  238   HG21  ILE  35          1HG2      ILE  35  -7.446  -2.821   1.919
  239   HG22  ILE  35          2HG2      ILE  35  -6.185  -1.793   2.597
  240   HG23  ILE  35          3HG2      ILE  35  -7.502  -1.076   1.670
  241   HD11  ILE  35          3HD1      ILE  35  -8.535  -0.961  -1.617
  242   HD12  ILE  35          1HD1      ILE  35  -7.990  -2.639  -1.611
  243   HD13  ILE  35          2HD1      ILE  35  -8.627  -1.912  -0.134
  244    H    CYS  36           H        CYS  36  -3.738  -3.920  -0.024
  245    HA   CYS  36           HA       CYS  36  -2.144  -2.852  -2.241
  246    HB2  CYS  36           1HB      CYS  36  -0.879  -4.861  -2.172
  247    HB3  CYS  36           2HB      CYS  36  -1.117  -4.381  -0.495
  248    H    TRP  37           H        TRP  37  -2.045  -4.294  -4.217
  249    HA   TRP  37           HA       TRP  37  -4.406  -4.333  -5.575
  250    HB2  TRP  37           1HB      TRP  37  -2.519  -6.557  -6.179
  251    HB3  TRP  37           2HB      TRP  37  -3.292  -5.410  -7.270
  252    HD1  TRP  37           HD       TRP  37  -0.028  -6.151  -5.748
  253    HE1  TRP  37           1HE      TRP  37   1.598  -4.182  -6.067
  254    HE3  TRP  37           3HE      TRP  37  -3.366  -2.573  -7.229
  255    HZ2  TRP  37           2HZ      TRP  37   1.481  -1.470  -6.843
  256    HZ3  TRP  37           3HZ      TRP  37  -2.527  -0.317  -7.740
  257    HH2  TRP  37           HH       TRP  37  -0.154   0.221  -7.550
  258    H    LEU  38           H        LEU  38  -2.943  -7.176  -3.993
  259    HA   LEU  38           HA       LEU  38  -4.906  -9.032  -4.492
  260    HB2  LEU  38           1HB      LEU  38  -3.016  -8.633  -2.215
  261    HB3  LEU  38           2HB      LEU  38  -4.224  -9.914  -2.130
  262    HG   LEU  38           HG       LEU  38  -1.933 -10.608  -2.908
  263   HD11  LEU  38          1HD1      LEU  38  -3.162 -12.321  -3.600
  264   HD12  LEU  38          2HD1      LEU  38  -3.261 -11.535  -5.176
  265   HD13  LEU  38          3HD1      LEU  38  -4.526 -11.268  -3.977
  266   HD21  LEU  38          3HD2      LEU  38  -1.562 -10.182  -5.387
  267   HD22  LEU  38          1HD2      LEU  38  -1.245  -8.836  -4.292
  268   HD23  LEU  38          2HD2      LEU  38  -2.739  -8.877  -5.229
  269    H    CYS  39           H        CYS  39  -4.805  -6.610  -1.917
  270    HA   CYS  39           HA       CYS  39  -7.197  -7.479  -0.642
  271    HB2  CYS  39           1HB      CYS  39  -5.587  -4.934  -0.509
  272    HB3  CYS  39           2HB      CYS  39  -7.083  -5.138   0.397
  273    H    GLU  40           H        GLU  40  -6.462  -4.843  -2.909
  274    HA   GLU  40           HA       GLU  40  -9.019  -3.734  -3.049
  275    HB2  GLU  40           1HB      GLU  40  -7.187  -2.526  -3.983
  276    HB3  GLU  40           2HB      GLU  40  -6.782  -3.849  -5.068
  277    HG2  GLU  40           1HG      GLU  40  -9.385  -2.364  -5.232
  278    HG3  GLU  40           2HG      GLU  40  -7.935  -1.849  -6.091
  279    H    ARG  41           H        ARG  41  -7.569  -6.397  -4.861
  280    HA   ARG  41           HA       ARG  41  -9.852  -6.761  -6.558
  281    HB2  ARG  41           1HB      ARG  41  -7.423  -8.471  -6.016
  282    HB3  ARG  41           2HB      ARG  41  -8.676  -8.908  -7.170
  283    HG2  ARG  41           1HG      ARG  41  -8.161  -6.519  -8.137
  284    HG3  ARG  41           2HG      ARG  41  -6.616  -6.773  -7.322
  285    HD2  ARG  41           1HD      ARG  41  -6.428  -8.953  -8.521
  286    HD3  ARG  41           2HD      ARG  41  -7.879  -8.524  -9.426
  287    HE   ARG  41           HE       ARG  41  -6.524  -6.515 -10.166
  288   HH11  ARG  41          2HH1      ARG  41  -5.081  -9.569  -9.321
  289   HH12  ARG  41          1HH1      ARG  41  -3.696  -9.344 -10.337
  290   HH21  ARG  41          2HH2      ARG  41  -4.706  -6.208 -11.508
  291   HH22  ARG  41          1HH2      ARG  41  -3.484  -7.431 -11.581
  292    H    SER  42           H        SER  42  -9.380  -7.353  -3.353
  293    HA   SER  42           HA       SER  42 -10.806  -9.882  -3.231
  294    HB2  SER  42           1HB      SER  42  -8.909  -9.284  -1.666
  295    HB3  SER  42           2HB      SER  42  -9.995  -8.113  -0.918
  296    HG   SER  42           HG       SER  42  -9.895 -10.279   0.060
  297    H    GLN  43           H        GLN  43 -12.894 -10.160  -2.607
  298    HA   GLN  43           HA       GLN  43 -14.805  -8.257  -3.113
  299    HB2  GLN  43           1HB      GLN  43 -14.815 -10.744  -1.445
  300    HB3  GLN  43           2HB      GLN  43 -16.234  -9.705  -1.461
  301    HG2  GLN  43           1HG      GLN  43 -16.800 -11.101  -3.147
  302    HG3  GLN  43           2HG      GLN  43 -15.897  -9.905  -4.076
  303   HE21  GLN  43          1HE2      GLN  43 -13.619 -10.379  -4.482
  304   HE22  GLN  43          2HE2      GLN  43 -13.139 -12.024  -4.704
  305    H    GLU  44           H        GLU  44 -12.959  -8.743  -0.200
  306    HA   GLU  44           HA       GLU  44 -14.515  -7.400   1.665
  307    HB2  GLU  44           1HB      GLU  44 -12.194  -8.645   1.854
  308    HB3  GLU  44           2HB      GLU  44 -11.552  -7.017   1.683
  309    HG2  GLU  44           1HG      GLU  44 -12.721  -6.285   3.641
  310    HG3  GLU  44           2HG      GLU  44 -13.561  -7.829   3.769
  311    H    HIS  45           H        HIS  45 -12.392  -6.139  -0.829
  312    HA   HIS  45           HA       HIS  45 -13.217  -3.411  -0.076
  313    HB2  HIS  45           1HB      HIS  45 -10.632  -4.421  -1.249
  314    HB3  HIS  45           2HB      HIS  45 -11.097  -2.726  -1.348
  315    HD2  HIS  45           2HD      HIS  45  -9.264  -5.036   1.003
  316    HE1  HIS  45           1HE      HIS  45 -10.408  -1.673   3.324
  317    HE2  HIS  45           2HE      HIS  45  -8.922  -3.703   3.194
  318    H    ARG  46           H        ARG  46 -13.983  -5.732  -2.141
  319    HA   ARG  46           HA       ARG  46 -13.761  -4.665  -4.711
  320    HB2  ARG  46           1HB      ARG  46 -14.420  -6.923  -4.548
  321    HB3  ARG  46           2HB      ARG  46 -15.742  -6.546  -3.451
  322    HG2  ARG  46           1HG      ARG  46 -16.896  -6.921  -5.382
  323    HG3  ARG  46           2HG      ARG  46 -16.638  -5.179  -5.501
  324    HD2  ARG  46           1HD      ARG  46 -14.572  -6.980  -6.647
  325    HD3  ARG  46           2HD      ARG  46 -16.101  -6.823  -7.511
  326    HE   ARG  46           HE       ARG  46 -14.040  -4.825  -7.243
  327   HH11  ARG  46          2HH1      ARG  46 -17.397  -5.436  -7.930
  328   HH12  ARG  46          1HH1      ARG  46 -17.617  -3.968  -8.823
  329   HH21  ARG  46          2HH2      ARG  46 -14.316  -2.889  -8.416
  330   HH22  ARG  46          1HH2      ARG  46 -15.863  -2.520  -9.100
  331    H    GLY  47           H        GLY  47 -14.669  -2.970  -5.674
  332    HA2  GLY  47           1HA      GLY  47 -16.454  -1.552  -6.272
  333    HA3  GLY  47           2HA      GLY  47 -17.314  -2.061  -4.827
  334    H    HIS  48           H        HIS  48 -14.173  -1.385  -3.990
  335    HA   HIS  48           HA       HIS  48 -14.963   1.249  -2.971
  336    HB2  HIS  48           1HB      HIS  48 -12.594  -0.437  -2.146
  337    HB3  HIS  48           2HB      HIS  48 -13.216   0.991  -1.324
  338    HD2  HIS  48           2HD      HIS  48 -16.257  -0.970  -2.117
  339    HE1  HIS  48           1HE      HIS  48 -14.919  -2.521   1.599
  340    HE2  HIS  48           2HE      HIS  48 -16.792  -2.479  -0.085
  341    H    HIS  49           H        HIS  49 -14.219   3.008  -3.938
  342    HA   HIS  49           HA       HIS  49 -12.391   2.951  -6.079
  343    HB2  HIS  49           1HB      HIS  49 -13.609   5.148  -4.436
  344    HB3  HIS  49           2HB      HIS  49 -12.360   5.516  -5.622
  345    HD1  HIS  49           1HD      HIS  49 -15.933   4.555  -5.306
  346    HD2  HIS  49           2HD      HIS  49 -13.134   5.140  -8.319
  347    HE1  HIS  49           1HE      HIS  49 -17.257   4.663  -7.441
  348    HE2  HIS  49           2HE      HIS  49 -15.535   4.933  -9.259
  349    H    THR  50           H        THR  50 -10.259   2.769  -6.051
  350    HA   THR  50           HA       THR  50  -8.809   3.550  -3.608
  351    HB   THR  50           HB       THR  50  -6.983   2.019  -4.618
  352    HG1  THR  50           1HG      THR  50  -9.259   0.899  -5.910
  353   HG21  THR  50          3HG2      THR  50  -9.232   1.515  -2.937
  354   HG22  THR  50          1HG2      THR  50  -7.635   0.768  -2.895
  355   HG23  THR  50          2HG2      THR  50  -8.909   0.070  -3.895
  356    H    PHE  51           H        PHE  51  -7.070   4.896  -3.734
  357    HA   PHE  51           HA       PHE  51  -6.355   5.911  -6.405
  358    HB2  PHE  51           1HB      PHE  51  -6.375   7.616  -3.918
  359    HB3  PHE  51           2HB      PHE  51  -6.257   8.141  -5.594
  360    HD1  PHE  51           1HD      PHE  51  -8.562   6.425  -3.233
  361    HD2  PHE  51           2HD      PHE  51  -8.154   8.834  -6.718
  362    HE1  PHE  51           1HE      PHE  51 -11.002   6.732  -3.302
  363    HE2  PHE  51           2HE      PHE  51 -10.593   9.146  -6.792
  364    HZ   PHE  51           HZ       PHE  51 -12.021   8.095  -5.082
  365    HA   PRO  52           HA       PRO  52  -2.209   4.898  -5.320
  366    HB2  PRO  52           1HB      PRO  52  -0.913   6.507  -7.081
  367    HB3  PRO  52           2HB      PRO  52  -1.753   5.030  -7.568
  368    HG2  PRO  52           1HG      PRO  52  -2.677   7.873  -7.722
  369    HG3  PRO  52           2HG      PRO  52  -2.836   6.578  -8.923
  370    HD2  PRO  52           1HD      PRO  52  -4.870   7.312  -7.293
  371    HD3  PRO  52           2HD      PRO  52  -4.654   5.643  -7.858
  372    H    THR  53           H        THR  53  -2.536   5.970  -3.188
  373    HA   THR  53           HA       THR  53  -1.960   8.692  -2.759
  374    HB   THR  53           HB       THR  53  -3.090   7.364  -1.059
  375    HG1  THR  53           1HG      THR  53  -0.570   8.455  -0.318
  376   HG21  THR  53          3HG2      THR  53  -1.719   5.279  -1.530
  377   HG22  THR  53          1HG2      THR  53  -2.059   5.620   0.166
  378   HG23  THR  53          2HG2      THR  53  -0.470   5.987  -0.507
  379    H    SER  54           H        SER  54   0.089   5.823  -2.849
  380    HA   SER  54           HA       SER  54   2.451   7.322  -2.100
  381    HB2  SER  54           1HB      SER  54   1.999   4.443  -2.894
  382    HB3  SER  54           2HB      SER  54   3.603   5.105  -2.575
  383    HG   SER  54           HG       SER  54   2.211   4.068  -0.791
  384    H    GLY  55           H        GLY  55   1.373   5.506  -4.976
  385    HA2  GLY  55           1HA      GLY  55   3.437   5.960  -6.698
  386    HA3  GLY  55           2HA      GLY  55   1.757   5.919  -7.211
  387    HA   PRO  56           HA       PRO  56   3.535  10.446  -6.781
  388    HB2  PRO  56           1HB      PRO  56   5.846  10.602  -8.198
  389    HB3  PRO  56           2HB      PRO  56   5.804  10.277  -6.460
  390    HG2  PRO  56           1HG      PRO  56   6.116   8.360  -8.738
  391    HG3  PRO  56           2HG      PRO  56   6.984   8.412  -7.193
  392    HD2  PRO  56           1HD      PRO  56   4.941   6.697  -7.659
  393    HD3  PRO  56           2HD      PRO  56   5.271   7.375  -6.052
  394    H    SER  57           H        SER  57   2.019  11.238  -8.127
  395    HA   SER  57           HA       SER  57   2.520  11.011 -11.018
  396    HB2  SER  57           1HB      SER  57   0.639   9.523 -10.325
  397    HB3  SER  57           2HB      SER  57  -0.218  10.943  -9.726
  398    HG   SER  57           HG       SER  57   0.602  11.399 -12.230
  399    H    SER  58           H        SER  58   2.926  12.953 -11.813
  400    HA   SER  58           HA       SER  58   2.516  15.365 -10.453
  401    HB2  SER  58           1HB      SER  58   4.029  14.729 -12.536
  402    HB3  SER  58           2HB      SER  58   2.654  15.366 -13.438
  403    HG   SER  58           HG       SER  58   3.984  17.078 -13.047
  404    H    GLY  59           H        GLY  59   1.295  17.253 -11.613
  405    HA2  GLY  59           1HA      GLY  59  -1.324  16.354 -12.589
  406    HA3  GLY  59           2HA      GLY  59  -1.268  17.370 -11.156
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   0.353 -19.076  -5.147
    2    HA2  GLY   1           1HA      GLY   1  -0.033 -18.369  -2.404
    3    HA3  GLY   1           2HA      GLY   1  -0.041 -19.995  -3.070
    4    H    SER   2           H        SER   2   2.316 -20.600  -3.903
    5    HA   SER   2           HA       SER   2   3.995 -20.381  -1.532
    6    HB2  SER   2           1HB      SER   2   3.425 -22.566  -2.849
    7    HB3  SER   2           2HB      SER   2   4.702 -22.028  -3.940
    8    HG   SER   2           HG       SER   2   5.002 -22.352  -1.136
    9    H    SER   3           H        SER   3   4.294 -19.928  -5.048
   10    HA   SER   3           HA       SER   3   6.909 -19.025  -5.145
   11    HB2  SER   3           1HB      SER   3   6.354 -18.026  -7.279
   12    HB3  SER   3           2HB      SER   3   5.473 -19.546  -7.124
   13    HG   SER   3           HG       SER   3   4.134 -17.337  -6.171
   14    H    GLY   4           H        GLY   4   7.924 -17.256  -4.455
   15    HA2  GLY   4           1HA      GLY   4   7.593 -14.697  -4.529
   16    HA3  GLY   4           2HA      GLY   4   6.279 -15.048  -3.415
   17    H    SER   5           H        SER   5   7.204 -13.822  -1.760
   18    HA   SER   5           HA       SER   5   9.863 -14.180  -0.848
   19    HB2  SER   5           1HB      SER   5   7.490 -13.105   0.694
   20    HB3  SER   5           2HB      SER   5   9.192 -12.847   1.076
   21    HG   SER   5           HG       SER   5   7.824 -11.237  -0.283
   22    H    SER   6           H        SER   6  10.604 -16.028  -0.048
   23    HA   SER   6           HA       SER   6   9.117 -18.155   0.916
   24    HB2  SER   6           1HB      SER   6  11.498 -18.303   0.249
   25    HB3  SER   6           2HB      SER   6  11.947 -17.425   1.711
   26    HG   SER   6           HG       SER   6  10.607 -19.275   2.715
   27    H    GLY   7           H        GLY   7  10.598 -15.478   2.705
   28    HA2  GLY   7           1HA      GLY   7   8.914 -14.876   4.602
   29    HA3  GLY   7           2HA      GLY   7   9.375 -16.470   5.182
   30    H    SER   8           H        SER   8   9.739 -13.778   6.368
   31    HA   SER   8           HA       SER   8  11.301 -12.616   7.546
   32    HB2  SER   8           1HB      SER   8  11.734 -14.932   8.423
   33    HB3  SER   8           2HB      SER   8  13.022 -15.084   7.229
   34    HG   SER   8           HG       SER   8  12.963 -12.906   9.015
   35    HA   PRO   9           HA       PRO   9  13.729 -12.025   3.499
   36    HB2  PRO   9           1HB      PRO   9  12.328  -9.910   2.533
   37    HB3  PRO   9           2HB      PRO   9  11.925 -11.586   2.145
   38    HG2  PRO   9           1HG      PRO   9  10.685  -9.760   4.166
   39    HG3  PRO   9           2HG      PRO   9   9.898 -10.879   3.038
   40    HD2  PRO   9           1HD      PRO   9  10.285 -11.476   5.651
   41    HD3  PRO   9           2HD      PRO   9  10.304 -12.711   4.377
   42    H    GLU  10           H        GLU  10  12.471  -9.987   6.034
   43    HA   GLU  10           HA       GLU  10  13.169  -7.925   6.827
   44    HB2  GLU  10           1HB      GLU  10  15.385  -8.111   7.835
   45    HB3  GLU  10           2HB      GLU  10  14.480  -9.604   8.044
   46    HG2  GLU  10           1HG      GLU  10  16.537 -10.404   7.445
   47    HG3  GLU  10           2HG      GLU  10  15.727 -10.338   5.880
   48    H    GLY  11           H        GLY  11  13.188  -8.003   3.931
   49    HA2  GLY  11           1HA      GLY  11  15.542  -6.325   3.339
   50    HA3  GLY  11           2HA      GLY  11  14.626  -7.226   2.139
   51    H    GLN  12           H        GLN  12  14.042  -5.569   0.815
   52    HA   GLN  12           HA       GLN  12  13.162  -3.038   1.671
   53    HB2  GLN  12           1HB      GLN  12  12.271  -2.820  -0.654
   54    HB3  GLN  12           2HB      GLN  12  13.957  -3.312  -0.574
   55    HG2  GLN  12           1HG      GLN  12  13.232  -4.773  -2.142
   56    HG3  GLN  12           2HG      GLN  12  12.882  -5.723  -0.698
   57   HE21  GLN  12          1HE2      GLN  12  11.340  -6.842  -2.019
   58   HE22  GLN  12          2HE2      GLN  12   9.776  -6.160  -2.288
   59    H    LYS  13           H        LYS  13  11.436  -2.708   2.905
   60    HA   LYS  13           HA       LYS  13   8.892  -3.923   2.095
   61    HB2  LYS  13           1HB      LYS  13  10.149  -4.012   4.823
   62    HB3  LYS  13           2HB      LYS  13   8.401  -4.077   4.636
   63    HG2  LYS  13           1HG      LYS  13  10.354  -6.001   3.390
   64    HG3  LYS  13           2HG      LYS  13   9.404  -6.302   4.848
   65    HD2  LYS  13           1HD      LYS  13   7.405  -5.649   3.240
   66    HD3  LYS  13           2HD      LYS  13   8.544  -6.183   2.002
   67    HE2  LYS  13           1HE      LYS  13   8.829  -8.290   3.397
   68    HE3  LYS  13           2HE      LYS  13   7.415  -7.755   4.304
   69    HZ1  LYS  13           3HZ      LYS  13   7.204  -9.321   2.220
   70    HZ2  LYS  13           1HZ      LYS  13   7.208  -7.847   1.389
   71    HZ3  LYS  13           2HZ      LYS  13   6.031  -8.152   2.565
   72    H    VAL  14           H        VAL  14   7.823  -2.161   1.424
   73    HA   VAL  14           HA       VAL  14   7.658   0.122   3.283
   74    HB   VAL  14           HB       VAL  14   8.877   0.970   1.456
   75   HG11  VAL  14          1HG1      VAL  14   8.410   0.577  -0.845
   76   HG12  VAL  14          2HG1      VAL  14   8.380  -0.990  -0.033
   77   HG13  VAL  14          3HG1      VAL  14   6.868  -0.190  -0.465
   78   HG21  VAL  14          3HG2      VAL  14   5.989   1.631   0.885
   79   HG22  VAL  14          1HG2      VAL  14   6.968   2.366   2.155
   80   HG23  VAL  14          2HG2      VAL  14   7.395   2.608   0.461
   81    H    ASP  15           H        ASP  15   5.727  -0.220   4.236
   82    HA   ASP  15           HA       ASP  15   3.479  -0.449   4.517
   83    HB2  ASP  15           1HB      ASP  15   3.574   0.915   1.827
   84    HB3  ASP  15           2HB      ASP  15   2.062   0.580   2.666
   85    H    HIS  16           H        HIS  16   4.634  -2.791   3.829
   86    HA   HIS  16           HA       HIS  16   3.175  -3.983   1.620
   87    HB2  HIS  16           1HB      HIS  16   5.290  -4.982   3.514
   88    HB3  HIS  16           2HB      HIS  16   4.412  -6.086   2.460
   89    HD1  HIS  16           1HD      HIS  16   6.033  -6.682   0.682
   90    HD2  HIS  16           2HD      HIS  16   6.025  -2.604   1.477
   91    HE1  HIS  16           1HE      HIS  16   7.571  -5.661  -1.026
   92    HE2  HIS  16           2HE      HIS  16   7.617  -3.205  -0.471
   93    H    CYS  17           H        CYS  17   1.344  -5.109   1.793
   94    HA   CYS  17           HA       CYS  17  -0.226  -5.113   4.082
   95    HB2  CYS  17           1HB      CYS  17  -1.009  -5.496   1.722
   96    HB3  CYS  17           2HB      CYS  17  -0.397  -7.142   1.849
   97    H    ALA  18           H        ALA  18  -0.127  -6.217   5.914
   98    HA   ALA  18           HA       ALA  18   1.802  -8.252   6.357
   99    HB1  ALA  18           3HB      ALA  18   1.461  -7.336   8.368
  100    HB2  ALA  18           1HB      ALA  18  -0.160  -6.784   7.945
  101    HB3  ALA  18           2HB      ALA  18   0.094  -8.444   8.486
  102    H    ARG  19           H        ARG  19  -1.157  -8.371   4.844
  103    HA   ARG  19           HA       ARG  19  -1.752 -11.107   5.698
  104    HB2  ARG  19           1HB      ARG  19  -3.675  -9.686   5.679
  105    HB3  ARG  19           2HB      ARG  19  -3.301  -9.100   4.064
  106    HG2  ARG  19           1HG      ARG  19  -3.824 -11.243   3.108
  107    HG3  ARG  19           2HG      ARG  19  -4.050 -11.942   4.713
  108    HD2  ARG  19           1HD      ARG  19  -5.820 -10.048   4.980
  109    HD3  ARG  19           2HD      ARG  19  -5.780 -10.019   3.217
  110    HE   ARG  19           HE       ARG  19  -6.155 -12.617   3.692
  111   HH11  ARG  19          2HH1      ARG  19  -7.704  -9.799   5.027
  112   HH12  ARG  19          1HH1      ARG  19  -9.218 -10.598   5.295
  113   HH21  ARG  19          2HH2      ARG  19  -8.144 -13.679   4.040
  114   HH22  ARG  19          1HH2      ARG  19  -9.467 -12.805   4.734
  115    H    HIS  20           H        HIS  20  -1.293  -9.251   2.693
  116    HA   HIS  20           HA       HIS  20  -0.800 -11.752   1.254
  117    HB2  HIS  20           1HB      HIS  20  -1.143  -8.937   0.202
  118    HB3  HIS  20           2HB      HIS  20  -0.970 -10.385  -0.785
  119    HD2  HIS  20           2HD      HIS  20  -3.220 -12.223  -0.496
  120    HE1  HIS  20           1HE      HIS  20  -5.835  -9.127   0.759
  121    HE2  HIS  20           2HE      HIS  20  -5.660 -11.523   0.002
  122    H    GLY  21           H        GLY  21   0.719  -8.634   1.972
  123    HA2  GLY  21           1HA      GLY  21   3.044  -8.418   2.416
  124    HA3  GLY  21           2HA      GLY  21   3.329  -9.883   1.488
  125    H    GLU  22           H        GLU  22   1.178  -7.642   0.061
  126    HA   GLU  22           HA       GLU  22   3.197  -7.012  -1.956
  127    HB2  GLU  22           1HB      GLU  22   0.204  -6.985  -1.898
  128    HB3  GLU  22           2HB      GLU  22   1.052  -6.008  -3.088
  129    HG2  GLU  22           1HG      GLU  22   0.295  -8.389  -3.717
  130    HG3  GLU  22           2HG      GLU  22   1.903  -7.843  -4.191
  131    H    LYS  23           H        LYS  23   3.578  -4.885  -2.681
  132    HA   LYS  23           HA       LYS  23   3.757  -2.944  -0.653
  133    HB2  LYS  23           1HB      LYS  23   3.863  -2.389  -3.617
  134    HB3  LYS  23           2HB      LYS  23   4.641  -1.483  -2.326
  135    HG2  LYS  23           1HG      LYS  23   6.219  -3.198  -1.943
  136    HG3  LYS  23           2HG      LYS  23   5.320  -4.344  -2.940
  137    HD2  LYS  23           1HD      LYS  23   7.216  -3.571  -4.192
  138    HD3  LYS  23           2HD      LYS  23   5.757  -2.880  -4.906
  139    HE2  LYS  23           1HE      LYS  23   6.175  -0.797  -3.640
  140    HE3  LYS  23           2HE      LYS  23   7.676  -1.496  -3.034
  141    HZ1  LYS  23           3HZ      LYS  23   7.911  -1.819  -5.700
  142    HZ2  LYS  23           1HZ      LYS  23   8.580  -0.539  -4.820
  143    HZ3  LYS  23           2HZ      LYS  23   7.096  -0.339  -5.607
  144    H    LEU  24           H        LEU  24   2.305  -1.562   0.112
  145    HA   LEU  24           HA       LEU  24  -0.275  -1.324  -1.195
  146    HB2  LEU  24           1HB      LEU  24   0.717  -0.144   1.396
  147    HB3  LEU  24           2HB      LEU  24  -0.950  -0.123   0.823
  148    HG   LEU  24           HG       LEU  24   0.505  -2.701   1.332
  149   HD11  LEU  24          1HD1      LEU  24  -1.013  -1.009   3.308
  150   HD12  LEU  24          2HD1      LEU  24   0.675  -1.510   3.401
  151   HD13  LEU  24          3HD1      LEU  24  -0.609  -2.708   3.554
  152   HD21  LEU  24          3HD2      LEU  24  -1.693  -2.499   0.020
  153   HD22  LEU  24          1HD2      LEU  24  -2.428  -2.126   1.579
  154   HD23  LEU  24          2HD2      LEU  24  -1.616  -3.672   1.335
  155    H    LEU  25           H        LEU  25  -0.274   0.047  -2.879
  156    HA   LEU  25           HA       LEU  25   0.848   2.737  -2.447
  157    HB2  LEU  25           1HB      LEU  25   0.492   1.301  -5.073
  158    HB3  LEU  25           2HB      LEU  25   1.219   2.889  -4.836
  159    HG   LEU  25           HG       LEU  25   2.364   0.301  -3.789
  160   HD11  LEU  25          1HD1      LEU  25   2.709   1.762  -6.350
  161   HD12  LEU  25          2HD1      LEU  25   2.750   0.031  -6.017
  162   HD13  LEU  25          3HD1      LEU  25   4.136   1.041  -5.604
  163   HD21  LEU  25          3HD2      LEU  25   2.907   2.391  -2.528
  164   HD22  LEU  25          1HD2      LEU  25   3.638   3.022  -4.004
  165   HD23  LEU  25          2HD2      LEU  25   4.303   1.579  -3.239
  166    H    LEU  26           H        LEU  26  -1.934   1.346  -2.166
  167    HA   LEU  26           HA       LEU  26  -3.416   3.482  -3.551
  168    HB2  LEU  26           1HB      LEU  26  -4.453   0.707  -3.010
  169    HB3  LEU  26           2HB      LEU  26  -5.249   1.983  -3.929
  170    HG   LEU  26           HG       LEU  26  -2.626   0.865  -4.847
  171   HD11  LEU  26          1HD1      LEU  26  -4.511  -0.448  -6.342
  172   HD12  LEU  26          2HD1      LEU  26  -5.176  -0.540  -4.712
  173   HD13  LEU  26          3HD1      LEU  26  -3.556  -1.154  -5.038
  174   HD21  LEU  26          3HD2      LEU  26  -3.317   2.819  -6.000
  175   HD22  LEU  26          1HD2      LEU  26  -4.971   2.227  -6.152
  176   HD23  LEU  26          2HD2      LEU  26  -3.672   1.455  -7.061
  177    H    PHE  27           H        PHE  27  -5.079   4.463  -2.433
  178    HA   PHE  27           HA       PHE  27  -5.317   3.722   0.409
  179    HB2  PHE  27           1HB      PHE  27  -4.120   5.875   0.019
  180    HB3  PHE  27           2HB      PHE  27  -5.567   6.497  -0.768
  181    HD1  PHE  27           1HD      PHE  27  -7.645   6.813   0.556
  182    HD2  PHE  27           2HD      PHE  27  -3.924   5.822   2.370
  183    HE1  PHE  27           1HE      PHE  27  -8.515   7.553   2.736
  184    HE2  PHE  27           2HE      PHE  27  -4.788   6.560   4.553
  185    HZ   PHE  27           HZ       PHE  27  -7.086   7.426   4.738
  186    H    CYS  28           H        CYS  28  -7.218   2.758   0.694
  187    HA   CYS  28           HA       CYS  28  -9.463   3.126  -0.994
  188    HB2  CYS  28           1HB      CYS  28  -8.872   1.109   0.502
  189    HB3  CYS  28           2HB      CYS  28  -9.616   2.029   1.805
  190    H    GLN  29           H        GLN  29 -11.342   4.275  -0.712
  191    HA   GLN  29           HA       GLN  29 -11.170   6.507   1.158
  192    HB2  GLN  29           1HB      GLN  29 -13.021   7.468  -0.144
  193    HB3  GLN  29           2HB      GLN  29 -11.658   7.038  -1.169
  194    HG2  GLN  29           1HG      GLN  29 -13.324   6.192  -2.438
  195    HG3  GLN  29           2HG      GLN  29 -13.036   4.789  -1.411
  196   HE21  GLN  29          1HE2      GLN  29 -15.411   5.001  -2.657
  197   HE22  GLN  29          2HE2      GLN  29 -16.661   5.379  -1.527
  198    H    GLU  30           H        GLU  30 -13.297   3.808   0.337
  199    HA   GLU  30           HA       GLU  30 -15.409   4.407   2.067
  200    HB2  GLU  30           1HB      GLU  30 -14.367   1.773   1.031
  201    HB3  GLU  30           2HB      GLU  30 -15.825   1.903   2.003
  202    HG2  GLU  30           1HG      GLU  30 -15.562   3.573  -0.447
  203    HG3  GLU  30           2HG      GLU  30 -15.951   1.861  -0.604
  204    H    ASP  31           H        ASP  31 -12.417   2.606   2.616
  205    HA   ASP  31           HA       ASP  31 -13.113   2.304   5.447
  206    HB2  ASP  31           1HB      ASP  31 -10.880   1.083   3.811
  207    HB3  ASP  31           2HB      ASP  31 -11.133   0.796   5.530
  208    H    GLY  32           H        GLY  32 -10.726   3.765   3.309
  209    HA2  GLY  32           1HA      GLY  32  -9.480   5.691   3.730
  210    HA3  GLY  32           2HA      GLY  32 -10.003   5.633   5.407
  211    H    LYS  33           H        LYS  33  -8.554   2.913   3.740
  212    HA   LYS  33           HA       LYS  33  -6.075   3.326   5.272
  213    HB2  LYS  33           1HB      LYS  33  -5.987   0.895   5.700
  214    HB3  LYS  33           2HB      LYS  33  -7.384   1.656   6.450
  215    HG2  LYS  33           1HG      LYS  33  -8.866   0.573   5.118
  216    HG3  LYS  33           2HG      LYS  33  -7.756   0.504   3.748
  217    HD2  LYS  33           1HD      LYS  33  -7.037  -1.059   6.163
  218    HD3  LYS  33           2HD      LYS  33  -8.390  -1.646   5.193
  219    HE2  LYS  33           1HE      LYS  33  -7.047  -1.913   3.287
  220    HE3  LYS  33           2HE      LYS  33  -5.756  -0.913   3.951
  221    HZ1  LYS  33           3HZ      LYS  33  -5.243  -3.300   3.997
  222    HZ2  LYS  33           1HZ      LYS  33  -6.559  -3.561   5.027
  223    HZ3  LYS  33           2HZ      LYS  33  -5.254  -2.619   5.545
  224    H    VAL  34           H        VAL  34  -4.288   1.852   4.450
  225    HA   VAL  34           HA       VAL  34  -4.170   2.133   1.561
  226    HB   VAL  34           HB       VAL  34  -1.774   1.146   2.064
  227   HG11  VAL  34          1HG1      VAL  34  -2.190   3.914   3.088
  228   HG12  VAL  34          2HG1      VAL  34  -0.974   3.295   1.968
  229   HG13  VAL  34          3HG1      VAL  34  -2.632   3.543   1.421
  230   HG21  VAL  34          3HG2      VAL  34  -0.950   1.603   4.257
  231   HG22  VAL  34          1HG2      VAL  34  -2.473   2.356   4.734
  232   HG23  VAL  34          2HG2      VAL  34  -2.404   0.619   4.433
  233    H    ILE  35           H        ILE  35  -4.827   0.539   0.290
  234    HA   ILE  35           HA       ILE  35  -4.588  -2.233   1.253
  235    HB   ILE  35           HB       ILE  35  -6.386  -2.851  -0.176
  236   HG12  ILE  35          1HG1      ILE  35  -6.454  -0.026  -1.248
  237   HG13  ILE  35          2HG1      ILE  35  -5.656  -1.359  -2.074
  238   HG21  ILE  35          1HG2      ILE  35  -7.933  -0.635   0.514
  239   HG22  ILE  35          2HG2      ILE  35  -7.712  -2.114   1.448
  240   HG23  ILE  35          3HG2      ILE  35  -6.671  -0.721   1.743
  241   HD11  ILE  35          3HD1      ILE  35  -8.581  -0.996  -1.527
  242   HD12  ILE  35          1HD1      ILE  35  -7.762  -1.132  -3.082
  243   HD13  ILE  35          2HD1      ILE  35  -7.890  -2.539  -2.027
  244    H    CYS  36           H        CYS  36  -4.054  -3.880  -0.335
  245    HA   CYS  36           HA       CYS  36  -2.162  -2.856  -2.340
  246    HB2  CYS  36           1HB      CYS  36  -1.160  -5.151  -2.221
  247    HB3  CYS  36           2HB      CYS  36  -1.066  -4.244  -0.715
  248    H    TRP  37           H        TRP  37  -1.827  -4.707  -4.114
  249    HA   TRP  37           HA       TRP  37  -4.008  -4.615  -5.808
  250    HB2  TRP  37           1HB      TRP  37  -2.240  -6.990  -6.044
  251    HB3  TRP  37           2HB      TRP  37  -2.741  -5.831  -7.272
  252    HD1  TRP  37           HD       TRP  37   0.308  -6.909  -5.892
  253    HE1  TRP  37           1HE      TRP  37   2.095  -5.059  -5.797
  254    HE3  TRP  37           3HE      TRP  37  -2.716  -2.828  -6.474
  255    HZ2  TRP  37           2HZ      TRP  37   2.208  -2.242  -5.948
  256    HZ3  TRP  37           3HZ      TRP  37  -1.690  -0.592  -6.488
  257    HH2  TRP  37           HH       TRP  37   0.721  -0.307  -6.229
  258    H    LEU  38           H        LEU  38  -2.987  -7.319  -3.730
  259    HA   LEU  38           HA       LEU  38  -5.019  -9.102  -4.404
  260    HB2  LEU  38           1HB      LEU  38  -3.359  -8.727  -1.939
  261    HB3  LEU  38           2HB      LEU  38  -4.612  -9.965  -2.006
  262    HG   LEU  38           HG       LEU  38  -2.354 -10.844  -2.466
  263   HD11  LEU  38          1HD1      LEU  38  -4.267 -12.006  -3.370
  264   HD12  LEU  38          2HD1      LEU  38  -2.943 -12.053  -4.533
  265   HD13  LEU  38          3HD1      LEU  38  -4.290 -10.941  -4.775
  266   HD21  LEU  38          3HD2      LEU  38  -1.063 -10.192  -4.286
  267   HD22  LEU  38          1HD2      LEU  38  -1.675  -8.662  -3.657
  268   HD23  LEU  38          2HD2      LEU  38  -2.415  -9.388  -5.084
  269    H    CYS  39           H        CYS  39  -4.903  -6.694  -1.793
  270    HA   CYS  39           HA       CYS  39  -7.427  -7.257  -0.701
  271    HB2  CYS  39           1HB      CYS  39  -5.671  -4.814  -0.672
  272    HB3  CYS  39           2HB      CYS  39  -7.250  -4.810   0.106
  273    H    GLU  40           H        GLU  40  -6.429  -4.937  -3.190
  274    HA   GLU  40           HA       GLU  40  -8.907  -3.694  -3.568
  275    HB2  GLU  40           1HB      GLU  40  -6.951  -2.700  -4.514
  276    HB3  GLU  40           2HB      GLU  40  -6.594  -4.144  -5.451
  277    HG2  GLU  40           1HG      GLU  40  -8.557  -3.768  -6.824
  278    HG3  GLU  40           2HG      GLU  40  -8.979  -2.354  -5.860
  279    H    ARG  41           H        ARG  41  -7.531  -6.604  -5.024
  280    HA   ARG  41           HA       ARG  41  -9.920  -7.025  -6.629
  281    HB2  ARG  41           1HB      ARG  41  -7.444  -8.739  -6.359
  282    HB3  ARG  41           2HB      ARG  41  -8.722  -8.947  -7.548
  283    HG2  ARG  41           1HG      ARG  41  -8.142  -6.922  -8.648
  284    HG3  ARG  41           2HG      ARG  41  -7.041  -6.463  -7.347
  285    HD2  ARG  41           1HD      ARG  41  -5.585  -8.327  -7.889
  286    HD3  ARG  41           2HD      ARG  41  -6.708  -8.867  -9.137
  287    HE   ARG  41           HE       ARG  41  -4.850  -6.648  -9.297
  288   HH11  ARG  41          2HH1      ARG  41  -7.621  -8.253 -10.663
  289   HH12  ARG  41          1HH1      ARG  41  -7.431  -7.532 -12.227
  290   HH21  ARG  41          2HH2      ARG  41  -4.590  -5.692 -11.352
  291   HH22  ARG  41          1HH2      ARG  41  -5.706  -6.076 -12.618
  292    H    SER  42           H        SER  42  -9.667  -7.244  -3.564
  293    HA   SER  42           HA       SER  42 -10.732  -9.976  -3.296
  294    HB2  SER  42           1HB      SER  42  -8.699  -9.413  -1.940
  295    HB3  SER  42           2HB      SER  42  -9.658  -8.199  -1.094
  296    HG   SER  42           HG       SER  42 -10.332 -10.952  -1.227
  297    H    GLN  43           H        GLN  43 -12.703 -10.321  -2.346
  298    HA   GLN  43           HA       GLN  43 -14.748  -8.543  -2.670
  299    HB2  GLN  43           1HB      GLN  43 -14.490 -10.752  -0.628
  300    HB3  GLN  43           2HB      GLN  43 -15.993  -9.899  -0.953
  301    HG2  GLN  43           1HG      GLN  43 -16.019 -10.700  -3.218
  302    HG3  GLN  43           2HG      GLN  43 -14.431 -11.438  -3.013
  303   HE21  GLN  43          1HE2      GLN  43 -16.588 -12.893  -3.893
  304   HE22  GLN  43          2HE2      GLN  43 -17.041 -14.040  -2.684
  305    H    GLU  44           H        GLU  44 -12.510  -8.750  -0.001
  306    HA   GLU  44           HA       GLU  44 -13.844  -7.316   1.956
  307    HB2  GLU  44           1HB      GLU  44 -10.893  -7.180   1.313
  308    HB3  GLU  44           2HB      GLU  44 -11.639  -6.739   2.842
  309    HG2  GLU  44           1HG      GLU  44 -12.226  -8.988   3.306
  310    HG3  GLU  44           2HG      GLU  44 -11.803  -9.501   1.673
  311    H    HIS  45           H        HIS  45 -11.769  -6.070  -0.650
  312    HA   HIS  45           HA       HIS  45 -12.949  -3.408  -0.192
  313    HB2  HIS  45           1HB      HIS  45 -10.190  -4.136  -1.192
  314    HB3  HIS  45           2HB      HIS  45 -10.845  -2.501  -1.214
  315    HD2  HIS  45           2HD      HIS  45  -8.959  -4.825   1.132
  316    HE1  HIS  45           1HE      HIS  45 -10.376  -1.601   3.497
  317    HE2  HIS  45           2HE      HIS  45  -8.793  -3.556   3.380
  318    H    ARG  46           H        ARG  46 -13.512  -5.857  -2.035
  319    HA   ARG  46           HA       ARG  46 -13.079  -5.069  -4.693
  320    HB2  ARG  46           1HB      ARG  46 -13.792  -7.351  -3.885
  321    HB3  ARG  46           2HB      ARG  46 -15.414  -6.700  -3.691
  322    HG2  ARG  46           1HG      ARG  46 -15.503  -6.194  -6.076
  323    HG3  ARG  46           2HG      ARG  46 -13.871  -6.837  -6.273
  324    HD2  ARG  46           1HD      ARG  46 -16.078  -8.494  -5.096
  325    HD3  ARG  46           2HD      ARG  46 -15.860  -8.363  -6.840
  326    HE   ARG  46           HE       ARG  46 -14.347  -9.966  -5.077
  327   HH11  ARG  46          2HH1      ARG  46 -13.998  -7.907  -7.863
  328   HH12  ARG  46          1HH1      ARG  46 -12.593  -8.729  -8.457
  329   HH21  ARG  46          2HH2      ARG  46 -12.499 -11.057  -5.850
  330   HH22  ARG  46          1HH2      ARG  46 -11.742 -10.522  -7.312
  331    H    GLY  47           H        GLY  47 -13.949  -3.505  -5.884
  332    HA2  GLY  47           1HA      GLY  47 -15.596  -2.103  -6.742
  333    HA3  GLY  47           2HA      GLY  47 -16.701  -2.690  -5.507
  334    H    HIS  48           H        HIS  48 -13.681  -1.694  -4.304
  335    HA   HIS  48           HA       HIS  48 -14.927   0.695  -3.165
  336    HB2  HIS  48           1HB      HIS  48 -12.404  -0.799  -2.431
  337    HB3  HIS  48           2HB      HIS  48 -12.940   0.678  -1.636
  338    HD2  HIS  48           2HD      HIS  48 -15.874  -1.655  -2.326
  339    HE1  HIS  48           1HE      HIS  48 -14.670  -2.353   1.681
  340    HE2  HIS  48           2HE      HIS  48 -16.396  -2.839  -0.087
  341    H    HIS  49           H        HIS  49 -14.171   2.738  -3.479
  342    HA   HIS  49           HA       HIS  49 -12.498   3.169  -5.782
  343    HB2  HIS  49           1HB      HIS  49 -13.968   5.004  -3.899
  344    HB3  HIS  49           2HB      HIS  49 -12.886   5.626  -5.142
  345    HD1  HIS  49           1HD      HIS  49 -16.189   5.701  -4.816
  346    HD2  HIS  49           2HD      HIS  49 -13.864   3.708  -7.625
  347    HE1  HIS  49           1HE      HIS  49 -17.695   5.332  -6.795
  348    HE2  HIS  49           2HE      HIS  49 -16.292   4.049  -8.448
  349    H    THR  50           H        THR  50 -10.362   3.024  -5.625
  350    HA   THR  50           HA       THR  50  -9.059   4.066  -3.194
  351    HB   THR  50           HB       THR  50  -7.181   2.554  -3.673
  352    HG1  THR  50           1HG      THR  50  -7.211   2.132  -5.806
  353   HG21  THR  50          3HG2      THR  50  -8.261   1.166  -2.305
  354   HG22  THR  50          1HG2      THR  50  -9.037   0.431  -3.707
  355   HG23  THR  50          2HG2      THR  50  -9.818   1.771  -2.869
  356    H    PHE  51           H        PHE  51  -7.065   5.188  -3.443
  357    HA   PHE  51           HA       PHE  51  -6.468   6.136  -6.155
  358    HB2  PHE  51           1HB      PHE  51  -6.540   8.009  -3.793
  359    HB3  PHE  51           2HB      PHE  51  -6.417   8.420  -5.500
  360    HD1  PHE  51           1HD      PHE  51  -8.699   6.952  -2.973
  361    HD2  PHE  51           2HD      PHE  51  -8.327   8.866  -6.756
  362    HE1  PHE  51           1HE      PHE  51 -11.144   7.204  -3.082
  363    HE2  PHE  51           2HE      PHE  51 -10.772   9.122  -6.871
  364    HZ   PHE  51           HZ       PHE  51 -12.183   8.291  -5.032
  365    HA   PRO  52           HA       PRO  52  -2.269   5.446  -5.066
  366    HB2  PRO  52           1HB      PRO  52  -1.039   7.264  -6.663
  367    HB3  PRO  52           2HB      PRO  52  -1.776   5.782  -7.284
  368    HG2  PRO  52           1HG      PRO  52  -2.870   8.568  -7.241
  369    HG3  PRO  52           2HG      PRO  52  -2.926   7.365  -8.542
  370    HD2  PRO  52           1HD      PRO  52  -5.033   7.845  -6.912
  371    HD3  PRO  52           2HD      PRO  52  -4.703   6.241  -7.599
  372    H    THR  53           H        THR  53  -2.101   6.097  -2.925
  373    HA   THR  53           HA       THR  53  -1.864   8.900  -2.252
  374    HB   THR  53           HB       THR  53  -3.000   7.386  -0.695
  375    HG1  THR  53           1HG      THR  53  -0.631   8.103   0.644
  376   HG21  THR  53          3HG2      THR  53  -2.167   5.420  -0.022
  377   HG22  THR  53          1HG2      THR  53  -0.601   6.128   0.370
  378   HG23  THR  53          2HG2      THR  53  -0.952   5.623  -1.283
  379    H    SER  54           H        SER  54   0.240   6.130  -2.679
  380    HA   SER  54           HA       SER  54   2.562   7.523  -1.657
  381    HB2  SER  54           1HB      SER  54   2.219   4.820  -2.969
  382    HB3  SER  54           2HB      SER  54   3.773   5.448  -2.422
  383    HG   SER  54           HG       SER  54   3.231   4.664  -0.558
  384    H    GLY  55           H        GLY  55   1.325   6.451  -4.801
  385    HA2  GLY  55           1HA      GLY  55   3.284   6.887  -6.560
  386    HA3  GLY  55           2HA      GLY  55   1.657   7.477  -6.864
  387    HA   PRO  56           HA       PRO  56   4.641  11.027  -5.332
  388    HB2  PRO  56           1HB      PRO  56   7.070  10.813  -6.526
  389    HB3  PRO  56           2HB      PRO  56   6.721  10.135  -4.932
  390    HG2  PRO  56           1HG      PRO  56   6.793   8.772  -7.597
  391    HG3  PRO  56           2HG      PRO  56   7.438   8.220  -6.040
  392    HD2  PRO  56           1HD      PRO  56   5.085   7.328  -7.041
  393    HD3  PRO  56           2HD      PRO  56   5.377   7.501  -5.299
  394    H    SER  57           H        SER  57   4.079   9.561  -8.365
  395    HA   SER  57           HA       SER  57   4.981  11.283 -10.265
  396    HB2  SER  57           1HB      SER  57   2.454   9.699 -10.025
  397    HB3  SER  57           2HB      SER  57   2.631  10.819 -11.376
  398    HG   SER  57           HG       SER  57   4.550   9.720 -11.939
  399    H    SER  58           H        SER  58   1.886  11.651  -8.533
  400    HA   SER  58           HA       SER  58   1.508  14.311  -9.576
  401    HB2  SER  58           1HB      SER  58  -0.430  12.866  -9.181
  402    HB3  SER  58           2HB      SER  58  -0.034  12.782  -7.464
  403    HG   SER  58           HG       SER  58  -0.163  15.345  -8.214
  404    H    GLY  59           H        GLY  59   2.010  12.934  -6.322
  405    HA2  GLY  59           1HA      GLY  59   3.568  13.889  -4.775
  406    HA3  GLY  59           2HA      GLY  59   3.356  15.440  -5.574