*HEADER    HYDROLASE                               28-SEP-96   1YGW      
*TITLE     NMR STRUCTURE OF RIBONUCLEASE T1, 34 STRUCTURES               
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: RIBONUCLEASE T1;                                   
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: GUANYLORIBONUCLEASE, RNASE T1;                      
*COMPND   5 EC: 3.1.27.3;                                                
*COMPND   6 ENGINEERED: YES;                                             
*COMPND   7 MUTATION: ISOENZYME WITH LYSINE AT POSITION 25               
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE;                     
*SOURCE   3 ORGANISM_COMMON: FUNGUS;                                     
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: DH5 ALPHA;                         
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PA2T1-1;                          
*SOURCE   7 EXPRESSION_SYSTEM_GENE: RIBONUCLEASE T1                      
*KEYWDS    HYDROLASE, RIBONUCLEASE, ENDONUCLEASE, SIGNAL,                
*KEYWDS   2 RIBONUCLEASE T1 PRECURSOR, ENDORIBONUCLEASE                  
*EXPDTA    NMR, 34 STRUCTURES                                            
*AUTHOR    S.PFEIFFER,Y.KARIMI-NEJAD,H.RUTERJANS                         
*REVDAT   1   12-OCT-04 1YGW    0   

# torsional angle restraints in DIANA format
# Depositors:   S. Pfeiffer, Y. Karimi-Nejad, H. Rueterjans
# Molecule:     RIBONUCLEASE T1 (NMR structure of the enzyme)
# associated files: rnaset1.upl, rnaset1.pdb, rnaset1.txt, rnaset1.lol
   2 CYSS  CHI1     -5.0     5.0 
   3 ASP-  CHI1    -90.0   -30.0 
   4 TYR   CHI1    -84.0     2.0   
   4 TYR   PHI    -160.0  -100.0 
   5 THR   CHI1    -90.0   -30.0 
   5 THR   PHI    -157.0   -83.0
   5 THR   PSI      -5.0   245.0
   6 CYSS  CHI1    -78.0   -62.0 
   6 CYSS  PSI      -5.0   245.0
   6 CYSS  PHI    -153.0   -87.0 
   8 SER   CHI1     30.0    90.0 
   8 SER   PHI    -160.0  -100.0
   9 ASN   CHI1    -91.0   -61.0 
  10 CYSS  CHI1   -168.0  -140.0 
  10 CYSS  PSI      -5.0   245.0 
  10 CYSS  PHI    -165.0   -75.0 
  12 SER   PHI    -174.0   120.0 
  12 SER   PSI     -15.0   255.0
  13 SER   PHI     -80.0   -40.0
  14 SER   PHI     -80.0   -40.0
  15 ASP-  PHI     -80.0   -40.0
  15 ASP-  CHI1    -90.0   -30.0 
  16 VAL   CHI1    149.0   169.0 
  16 VAL   PHI     -88.0   -48.0 
  16 VAL   PSI    -107.0   -13.0 
  17 SER   PHI     -80.0   -40.0
  18 THR   CHI1    -90.0   -30.0 
  18 THR   PHI     -79.0   -39.0 
  18 THR   PSI    -148.0    28.0 
  19 ALA   PHI     -80.0   -40.0
  20 GLN   CHI1    -22.0     2.0 
  20 GLN   PHI     -70.0   -30.0 
  20 GLN   PSI    -145.0    25.0 
  21 ALA   PHI     -75.0   -35.0 
  21 ALA   PSI    -135.0    15.0 
  22 ALA   PHI     -90.0   -50.0 
  22 ALA   PSI    -164.0    83.0 
  24 TYR   CHI1    174.0   218.0 
  24 TYR   PHI     -77.0   -37.0 
  24 TYR   PSI    -148.0    28.0 
  25 LYS+  PSI    -142.0    22.0 
  25 LYS+  PHI     -78.0   -38.0 
  26 LEU   CHI1    150.0   210.0 
  26 LEU   PHI     -85.0   -35.0 
  26 LEU   PSI    -132.0    12.0 
  27 HIS+  CHI1    146.0   190.0 
  27 HIS+  PHI     -80.0   -40.0
  29 ASP-  CHI1    -90.0   -30.0  
  28 GLU-  CHI1      1.0    27.0 
  28 GLU-  PSI    -133.0    13.0 
  28 GLU-  PHI     -83.0   -43.0 
  31 GLU-  CHI1    -95.0   -23.0 
  31 GLU-  PSI      -5.0   245.0
  31 GLU-  PHI    -142.0   -98.0 
  32 THR   CHI1     30.0    90.0 
  33 VAL   PHI    -164.0   -76.0
  33 VAL   PSI     -15.0   255.0
  35 SER   PHI    -160.0  -100.0
  36 ASN   CHI1    -97.0   -41.0 
  37 SER   CHI1     30.0    90.0 
  37 SER   PHI    -180.0   -60.0 
  37 SER   PSI      -8.0   248.0
  38 TYR   CHI1    -87.0   -67.0 
  40 HIS+  CHI1     47.0    67.0 
  41 LYS+  PHI     -79.0   -39.0
  41 LYS+  PSI      -8.0   248.0
  42 TYR   CHI1    162.0   194.0 
  42 TYR   PHI    -158.0   -82.0 
  42 TYR   PSI    -129.0     9.0 
  43 ASN   CHI1    -94.0   -74.0 
  44 ASN   CHI1     79.0   113.0 
  44 ASN   PHI    -191.0   -49.0 
  44 ASN   PSI      -9.0   249.0
  45 TYR   CHI1    -88.0   -54.0 
  46 GLU-  CHI1    -82.0   -62.0 
  46 GLU-  PHI     -80.0   -40.0
  48 PHE   CHI1    -69.0   -49.0 
  48 PHE   PHI    -192.0   -48.0 
  48 PHE   PSI     -18.0   258.0
  49 ASP-  CHI1    -90.0   -30.0 
  49 ASP-  PHI    -175.0   -65.0 
  49 ASP-  PSI      -5.0   245.0
  50 PHE   CHI1    -90.0   -30.0 
  50 PHE   PHI    -179.0   -61.0 
  50 PHE   PSI      -5.0   245.0
  51 SER   PHI    -178.0   -62.0 
  51 SER   PSI       2.0   238.0
  52 VAL   CHI1    -53.0   -21.0 
  52 VAL   PHI    -153.0   -87.0 
  52 VAL   PSI     -15.0   255.0
  53 SER   PHI     -79.0   -39.0 
  53 SER   PSI      -7.0   247.0
  54 SER   CHI1     30.0    90.0 
  56 TYR   CHI1   -103.0   -59.0 
  56 TYR   PHI    -143.0   -97.0 
  56 TYR   PSI     -15.0   255.0
  57 TYR   CHI1    -70.0   -50.0 
  57 TYR   PHI    -160.0  -100.0
  58 GLU-  CHI1     32.0    56.0 
  58 GLU-  PSI      -5.0   245.0
  58 GLU-  PHI    -158.0   -82.0 
  59 TRP   PHI    -160.0  -100.0
  61 ILE   CHI1    150.0   210.0 
  61 ILE   PSI      -4.0   244.0
  61 ILE   PHI    -140.0  -100.0  
  62 LEU   CHI1    -90.0   -30.0 
  62 LEU   PHI    -158.0   -82.0  
  62 LEU   PSI     -15.0   255.0
  63 SER   PHI     -72.0   -32.0 
  63 SER   PSI    -161.0    87.0 
  64 SER   CHI1    -90.0   -30.0 
  64 SER   PHI    -187.0   -53.0 
  64 SER   PSI    -152.0    98.0 
  66 ASP-  CHI1    -90.0   -30.0 
  67 VAL   CHI1    133.0   153.0  
  68 TYR   PHI     -80.0   -40.0
  69 SER   CHI1     30.0    90.0 
  69 SER   PHI    -160.0  -100.0
  72 SER   PHI    -160.0  -100.0
  76 ASP-  CHI1    -90.0   -30.0 
  76 ASP-  PSI      -5.0   245.0
  76 ASP-  PHI    -168.0   -72.0 
  78 VAL   PHI    -154.0   -86.0 
  78 VAL   PSI      -7.0   247.0
  79 VAL   CHI1    146.0   166.0 
  79 VAL   PHI    -145.0   -95.0 
  79 VAL   PSI     -15.0   255.0
  80 PHE   PHI    -152.0   -88.0 
  80 PHE   PSI      -5.0   245.0
  81 ASN   PHI    -156.0   -84.0 
  81 ASN   PSI     -15.0   255.0
  82 GLU-  CHI1    153.0   233.0 
  82 GLU-  PHI     -80.0   -40.0
  83 ASN   PHI    -160.0  -100.0
  84 ASN   CHI1     83.0   103.0 
  84 ASN   PHI      25.0   120.0 
  84 ASN   PSI     -26.0    14.0 
  85 GLN   PHI    -153.0   -87.0 
  85 GLN   PSI      17.0   223.0 
  86 LEU   PHI    -192.0   -48.0 
  86 LEU   PSI     -15.0   255.0
  87 ALA   PHI    -164.0   -76.0 
  87 ALA   PSI    -156.0    92.0 
  90 ILE   CHI1     30.0    90.0 
  90 ILE   PHI    -152.0   -88.0 
  90 ILE   PSI     -15.0   255.0
  91 THR   PHI    -167.0   -73.0 
  91 THR   PSI     -15.0   255.0
  92 HIS+  CHI1    -81.0   -71.0 
  93 THR   CHI1    -90.0   -30.0 
  93 THR   PHI     -79.0   -39.0 
  93 THR   PSI     -15.0   255.0
  98 ASN   PHI    -160.0  -100.0
  99 ASN   PHI    -174.0   -66.0 
  99 ASN   PSI      -5.0   245.0
 100 PHE   CHI1    -83.0   -59.0 
 100 PHE   PHI    -140.0  -100.0  
 100 PHE   PSI     -15.0   255.0
 101 VAL   CHI1    -65.0   -45.0 
 101 VAL   PHI    -164.0   -76.0 
 101 VAL   PSI      -5.0   245.0
 102 GLU-  CHI1    -20.0    20.0 
 102 GLU-  PSI      -4.0   244.0
 102 GLU-  PHI    -187.0   -53.0 
 103 CYSS  CHI1    -78.0   -58.0 
 103 CYSS  PHI    -174.0   -66.0
 103 CYSS  PSI      -5.0   245.0
 104 THR   CHI1     30.0    90.0 
# upper distance restraints in DIANA format
# Depositors:   S. Pfeiffer, Y. Karimi-Nejad, H. Rueterjans
# Molecule:     RIBONUCLEASE T1 (NMR structure of the enzyme)
# associated files: rnaset1.pdb, rnaset1.aco, rnaset1.txt, rnaset1.lol
  1 ALA  HA      1 ALA  QB      4.37  1.00e+00
  1 ALA  HA      2 CYSS HN      4.23  1.00e+00
  1 ALA  QB      3 ASP- HN      7.46  1.00e+00
  2 CYSS HN      2 CYSS HA      4.42  1.00e+00
  2 CYSS HA      2 CYSS HB3     3.04  1.00e+00
  2 CYSS HA      2 CYSS HB2     3.37  1.00e+00
  2 CYSS HA      3 ASP- HN      2.64  1.00e+00
  2 CYSS HA     11 TYR  HN      3.77  1.00e+00
  2 CYSS HB3     2 CYSS HB2     2.15  1.00e+00
  2 CYSS HB3     3 ASP- HN      3.84  1.00e+00
  2 CYSS HB3     4 TYR  HN      3.63  1.00e+00
  2 CYSS HB3    10 CYSS HA      3.40  1.00e+00
  2 CYSS HB3    11 TYR  HN      3.29  1.00e+00
  3 ASP- HN      3 ASP- HA      3.38  1.00e+00
  3 ASP- HN      3 ASP- HB3     3.55  1.00e+00
  3 ASP- HN      3 ASP- HB2     2.98  1.00e+00
  3 ASP- HN      4 TYR  HD1     4.50  1.00e+00
  3 ASP- HN      4 TYR  HA      5.81  1.00e+00
  3 ASP- HN     12 SER  HA      3.14  1.00e+00
  3 ASP- HN     13 SER  HN      4.28  1.00e+00
  3 ASP- HA      3 ASP- HB3     2.66  1.00e+00
  3 ASP- HA      3 ASP- HB2     3.46  1.00e+00
  3 ASP- HA      4 TYR  HN      3.88  1.00e+00
  3 ASP- HB3     3 ASP- HB2     2.22  1.00e+00
  3 ASP- HB3     4 TYR  HD1     3.55  1.00e+00
  3 ASP- HB3     4 TYR  HE1     4.75  1.00e+00
  3 ASP- HB3     4 TYR  HN      3.69  1.00e+00
  3 ASP- HB3    12 SER  HA      7.08  1.00e+00
  3 ASP- HB3    13 SER  HN      3.80  1.00e+00
  3 ASP- HB2    12 SER  HA      2.66  1.00e+00
  3 ASP- HB2    13 SER  HN      3.02  1.00e+00
  4 TYR  CG      4 TYR  CZ      6.49  1.00e+00
  4 TYR  CG      4 TYR  HN      5.55  1.00e+00
  4 TYR  CG      4 TYR  HA      5.51  1.00e+00
  4 TYR  CG      4 TYR  HB3     1.79  1.00e+00
  4 TYR  HD1    11 TYR  HN      5.84  1.00e+00
  4 TYR  HD1    13 SER  HN      6.95  1.00e+00
  4 TYR  HD1    13 SER  HA      3.67  1.00e+00
  4 TYR  HD1    15 ASP- HN      4.48  1.00e+00
  4 TYR  CG     89 VAL  HB      2.62  1.00e+00
  4 TYR  CG     89 VAL  QG2     5.15  1.00e+00
  4 TYR  CZ      4 TYR  HA      6.76  1.00e+00
  4 TYR  HE1    13 SER  HN      4.74  1.00e+00
  4 TYR  HE1    13 SER  HA      4.73  1.00e+00
  4 TYR  HE1    13 SER  HB2     3.30  1.00e+00
  4 TYR  HE1    15 ASP- HN      5.01  1.00e+00
  4 TYR  HE1    16 VAL  HB      5.57  1.00e+00
  4 TYR  HE2    88 GLY  HA2     4.59  1.00e+00
  4 TYR  HE2    89 VAL  HN      4.57  1.00e+00
  4 TYR  HE2    89 VAL  HB      3.87  1.00e+00
  4 TYR  CZ     89 VAL  QG2     5.64  1.00e+00
  4 TYR  HN      4 TYR  HA      3.42  1.00e+00
  4 TYR  HN     10 CYSS HA      4.76  1.00e+00
  4 TYR  HN     11 TYR  HN      3.42  1.00e+00
  4 TYR  HN     12 SER  HA      4.23  1.00e+00
  4 TYR  HN     89 VAL  QG1     6.79  1.00e+00
  4 TYR  HA      4 TYR  HB3     3.03  1.00e+00
  4 TYR  HA      5 THR  HN      2.79  1.00e+00
  4 TYR  HA    104 THR  HN      4.58  1.00e+00
  4 TYR  HB3    11 TYR  HE2     3.37  1.00e+00
  5 THR  HN      5 THR  HA      3.65  1.00e+00
  5 THR  HN      5 THR  HB      3.05  1.00e+00
  5 THR  HN      5 THR  QG2     5.88  1.00e+00
  5 THR  HN    103 CYSS HB2     4.32  1.00e+00
  5 THR  HN    104 THR  QG2     7.91  1.00e+00
  5 THR  HA      5 THR  HB      3.73  1.00e+00
  5 THR  HA      5 THR  QG2     3.35  1.00e+00
  5 THR  HA      6 CYSS HN      2.67  1.00e+00
  5 THR  HA      9 ASN  HB3     3.53  1.00e+00
  5 THR  HA     11 TYR  HN      3.22  1.00e+00
  5 THR  HB      5 THR  QG2     4.14  1.00e+00
  5 THR  HB      6 CYSS HN      4.47  1.00e+00
  5 THR  QG2     6 CYSS HN      5.14  1.00e+00
  5 THR  QG2     7 GLY  HN      5.64  1.00e+00
  5 THR  QG2     8 SER  HN      6.87  1.00e+00
  5 THR  QG2     9 ASN  HN      5.36  1.00e+00
  5 THR  QG2    11 TYR  HN      7.11  1.00e+00
  5 THR  QG2   104 THR  HN      6.63  1.00e+00
  6 CYSS HN      6 CYSS HA      3.69  1.00e+00
  6 CYSS HN      6 CYSS HB2     3.20  1.00e+00
  6 CYSS HN      7 GLY  HN      4.63  1.00e+00
  6 CYSS HN      9 ASN  HN      3.96  1.00e+00
  6 CYSS HN      9 ASN  HA      4.34  1.00e+00
  6 CYSS HN      9 ASN  HB3     5.06  1.00e+00
  6 CYSS HN      9 ASN  HD22    2.99  1.00e+00
  6 CYSS HN      9 ASN  HD21    4.91  1.00e+00
  6 CYSS HN     10 CYSS HN      3.86  1.00e+00
  6 CYSS HN     11 TYR  HD2     4.69  1.00e+00
  6 CYSS HN     11 TYR  HE2     2.77  1.00e+00
  6 CYSS HA      6 CYSS HB3     2.79  1.00e+00
  6 CYSS HA      6 CYSS HB2     2.88  1.00e+00
  6 CYSS HA      7 GLY  HN      2.41  1.00e+00
  6 CYSS HA     91 THR  HB      6.39  1.00e+00
  6 CYSS HA     91 THR  QG2     3.85  1.00e+00
  6 CYSS HA    103 CYSS HA      2.71  1.00e+00
  6 CYSS HA    103 CYSS HB3     3.71  1.00e+00
  6 CYSS HA    103 CYSS HB2     3.88  1.00e+00
  6 CYSS HA    104 THR  HN      4.97  1.00e+00
  6 CYSS HB3    91 THR  HA      8.91  1.00e+00
  6 CYSS HB3    91 THR  HB      3.00  1.00e+00
  6 CYSS HB3    91 THR  QG2     4.01  1.00e+00
  6 CYSS HB2     9 ASN  HN      4.43  1.00e+00
  6 CYSS HB2     9 ASN  HD22    5.21  1.00e+00
  6 CYSS HB2     9 ASN  HD21    5.21  1.00e+00
  6 CYSS HB2    11 TYR  CZ      2.33  1.00e+00
  6 CYSS HB2    91 THR  HB      3.23  1.00e+00
  6 CYSS HB2    91 THR  QG2     5.39  1.00e+00
  7 GLY  HN      7 GLY  HA1     3.05  1.00e+00
  7 GLY  HN      7 GLY  HA2     2.81  1.00e+00
  7 GLY  HN     91 THR  QG2     5.23  1.00e+00
  7 GLY  HA1     7 GLY  HA2     2.16  1.00e+00
  7 GLY  HA1     8 SER  HN      2.83  1.00e+00
  7 GLY  HA1     9 ASN  HN      3.79  1.00e+00
  7 GLY  HA1   104 THR  QG2     4.76  1.00e+00
  7 GLY  HA2     8 SER  HN      3.26  1.00e+00
  8 SER  HN      8 SER  HA      3.64  1.00e+00
  8 SER  HN      8 SER  HB3     4.50  1.00e+00
  8 SER  HN      9 ASN  HN      2.82  1.00e+00
  8 SER  HN      9 ASN  HB2     4.49  1.00e+00
  8 SER  HA      8 SER  HB3     3.06  1.00e+00
  8 SER  HA      9 ASN  HN      3.94  1.00e+00
  8 SER  HB3     9 ASN  HD22    4.24  1.00e+00
  9 ASN  HN      9 ASN  HA      3.03  1.00e+00
  9 ASN  HN      9 ASN  HB3     3.50  1.00e+00
  9 ASN  HN      9 ASN  HB2     2.66  1.00e+00
  9 ASN  HA      9 ASN  HD22    3.74  1.00e+00
  9 ASN  HA      9 ASN  HD21    3.88  1.00e+00
  9 ASN  HA     10 CYSS HN      2.65  1.00e+00
  9 ASN  HB3     9 ASN  HB2     2.28  1.00e+00
  9 ASN  HB3     9 ASN  HD22    3.91  1.00e+00
  9 ASN  HB3     9 ASN  HD21    4.16  1.00e+00
  9 ASN  HB3    10 CYSS HN      3.70  1.00e+00
  9 ASN  HB3    11 TYR  CZ      2.33  1.00e+00
  9 ASN  HB3    61 ILE  QG2     5.40  1.00e+00
  9 ASN  HB2     9 ASN  HD22    3.49  1.00e+00
  9 ASN  HB2     9 ASN  HD21    3.80  1.00e+00
  9 ASN  HB2    10 CYSS HN      6.35  1.00e+00
  9 ASN  HB2    11 TYR  CZ      4.94  1.00e+00
  9 ASN  HB2    11 TYR  HN      3.53  1.00e+00
  9 ASN  HD22    9 ASN  HD21    2.57  1.00e+00
 10 CYSS HN     10 CYSS HA      3.47  1.00e+00
 10 CYSS HN     10 CYSS HB3     3.01  1.00e+00
 10 CYSS HN     10 CYSS HB2     3.17  1.00e+00
 10 CYSS HN     11 TYR  HN      3.75  1.00e+00
 10 CYSS HA     10 CYSS HB3     3.08  1.00e+00
 10 CYSS HA     10 CYSS HB2     2.95  1.00e+00
 10 CYSS HA     11 TYR  HN      2.62  1.00e+00
 10 CYSS HA     11 TYR  HA      5.65  1.00e+00
 10 CYSS HB3    10 CYSS HB2     2.14  1.00e+00
 10 CYSS HB2    11 TYR  HN      4.59  1.00e+00
 11 TYR  CG     11 TYR  CZ      7.22  1.00e+00
 11 TYR  CG     11 TYR  HN      5.76  1.00e+00
 11 TYR  CG     11 TYR  HA      2.58  1.00e+00
 11 TYR  CG     11 TYR  HB3     5.45  1.00e+00
 11 TYR  CG     11 TYR  HB2     2.85  1.00e+00
 11 TYR  HD2    12 SER  HN      5.31  1.00e+00
 11 TYR  CG     15 ASP- HB3     2.62  1.00e+00
 11 TYR  CG     15 ASP- HB2     5.91  1.00e+00
 11 TYR  HD2    16 VAL  QG2     5.61  1.00e+00 
 11 TYR  HD1    61 ILE  QG2     6.06  1.00e+00
 11 TYR  HE2    11 TYR  HN      4.94  1.00e+00 
 11 TYR  CZ     11 TYR  HA      6.93  1.00e+00
 11 TYR  HE1    11 TYR  HB2     6.02  1.00e+00
 11 TYR  CZ     61 ILE  HG13    5.79  1.00e+00
 11 TYR  HE1    61 ILE  HG12    4.43  1.00e+00 
 11 TYR  CZ     61 ILE  QD1     6.18  1.00e+00
 11 TYR  CZ     61 ILE  QG2     5.00  1.00e+00
 11 TYR  CZ     62 LEU  HN      6.97  1.00e+00
 11 TYR  HE1    63 SER  HN      4.25  1.00e+00 
 11 TYR  HE1    63 SER  HA      2.79  1.00e+00 
 11 TYR  HE1    63 SER  HB2     3.79  1.00e+00 
 11 TYR  CZ     76 ASP- HA      4.85  1.00e+00
 11 TYR  CZ     76 ASP- HB3     4.33  1.00e+00
 11 TYR  HE2    89 VAL  QG2     5.83  1.00e+00 
 11 TYR  HH     61 ILE  QG2     4.00  1.00e+00 
 11 TYR  HH     76 ASP- HB3     4.00  1.00e+00 
  6 CYSS HB2    11 TYR  HH      4.00  1.00e+00 
  9 ASN  HD22   11 TYR  HH      4.00  1.00e+00 
 11 TYR  HN     11 TYR  HA      3.24  1.00e+00
 11 TYR  HN     11 TYR  HB3     4.24  1.00e+00
 11 TYR  HN     12 SER  HN      7.63  1.00e+00
 11 TYR  HN     16 VAL  QG2     7.28  1.00e+00
 11 TYR  HA     11 TYR  HB3     2.81  1.00e+00
 11 TYR  HA     12 SER  HN      2.75  1.00e+00
 11 TYR  HB3    11 TYR  HB2     2.43  1.00e+00
 11 TYR  HB3    12 SER  HN      4.57  1.00e+00
 11 TYR  HB3    15 ASP- HN      4.54  1.00e+00
 11 TYR  HB3    16 VAL  HN      4.33  1.00e+00
 11 TYR  HB2    12 SER  HN      3.95  1.00e+00
 11 TYR  HB2    15 ASP- HN      5.32  1.00e+00
 12 SER  HN     12 SER  HB3     3.55  1.00e+00
 12 SER  HN     12 SER  HB2     3.44  1.00e+00
 12 SER  HN     15 ASP- HN      4.57  1.00e+00
 12 SER  HN     15 ASP- HA      9.46  1.00e+00
 12 SER  HN     15 ASP- HB3     4.25  1.00e+00
 12 SER  HN     15 ASP- HB2     2.71  1.00e+00
 12 SER  HN     16 VAL  HN      5.11  1.00e+00
 12 SER  HN     16 VAL  QG2     7.48  1.00e+00
 12 SER  HA     12 SER  HB3     2.75  1.00e+00
 12 SER  HA     12 SER  HB2     2.77  1.00e+00
 12 SER  HA     13 SER  HN      2.85  1.00e+00
 12 SER  HA     14 SER  HN      3.68  1.00e+00
 12 SER  HA     15 ASP- HN      5.97  1.00e+00
 12 SER  HA     16 VAL  HN      5.44  1.00e+00
 12 SER  HB3    12 SER  HB2     2.19  1.00e+00
 12 SER  HB3    13 SER  HN      3.17  1.00e+00
 12 SER  HB2    15 ASP- HN      4.46  1.00e+00
 13 SER  HN     13 SER  HA      3.24  1.00e+00
 13 SER  HN     13 SER  HB2     2.94  1.00e+00
 13 SER  HN     14 SER  HN      3.76  1.00e+00
 13 SER  HN     14 SER  HA      9.37  1.00e+00
 13 SER  HN     14 SER  HB3     4.04  1.00e+00
 13 SER  HN     15 ASP- HN      7.12  1.00e+00
 13 SER  HN     15 ASP- HB2     6.00  1.00e+00
 13 SER  HN     16 VAL  HB      5.47  1.00e+00
 13 SER  HN     16 VAL  QG2     7.38  1.00e+00
 13 SER  HA     13 SER  HB3     1.90  1.00e+00
 13 SER  HA     15 ASP- HN      3.82  1.00e+00
 13 SER  HA     16 VAL  HN      3.58  1.00e+00
 13 SER  HA     16 VAL  HB      2.25  1.00e+00
 13 SER  HA     16 VAL  QG2     3.18  1.00e+00
 14 SER  HN     14 SER  HA      3.09  1.00e+00
 14 SER  HN     14 SER  HB2     2.91  1.00e+00
 14 SER  HA     17 SER  HN      3.47  1.00e+00
 14 SER  HB2    15 ASP- HN      3.28  1.00e+00
 15 ASP- HN     15 ASP- HA      3.15  1.00e+00
 15 ASP- HN     15 ASP- HB3     3.56  1.00e+00
 15 ASP- HN     15 ASP- HB2     2.78  1.00e+00
 15 ASP- HN     16 VAL  HN      2.70  1.00e+00
 15 ASP- HN     16 VAL  HB      4.76  1.00e+00
 15 ASP- HN     16 VAL  QG2     6.45  1.00e+00
 15 ASP- HN     61 ILE  QD1     7.36  1.00e+00
 15 ASP- HA     15 ASP- HB3     2.66  1.00e+00
 15 ASP- HA     15 ASP- HB2     3.17  1.00e+00
 15 ASP- HA     16 VAL  HN      3.87  1.00e+00
 15 ASP- HB3    15 ASP- HB2     2.25  1.00e+00
 15 ASP- HB3    16 VAL  HN      4.10  1.00e+00
 15 ASP- HB3    61 ILE  QD1     5.18  1.00e+00
 15 ASP- HB2    16 VAL  HN      2.98  1.00e+00
 15 ASP- HB2    16 VAL  QG2     4.82  1.00e+00
 15 ASP- HB2    61 ILE  QD1     5.64  1.00e+00
 16 VAL  HN     16 VAL  HA      2.73  1.00e+00
 16 VAL  HN     16 VAL  HB      2.28  1.00e+00
 16 VAL  HN     16 VAL  QG1     3.62  1.00e+00
 16 VAL  HN     16 VAL  QG2     4.10  1.00e+00
 16 VAL  HN     17 SER  HN      3.06  1.00e+00
 16 VAL  HN     17 SER  QB      4.90  1.00e+00
 16 VAL  HN     61 ILE  HG13    4.75  1.00e+00
 16 VAL  HN     61 ILE  QD1     7.16  1.00e+00
 16 VAL  HA     16 VAL  HB      2.73  1.00e+00
 16 VAL  HA     16 VAL  QG1     2.61  1.00e+00
 16 VAL  HA     16 VAL  QG2     2.78  1.00e+00
 16 VAL  HA     17 SER  HN      6.49  1.00e+00
 16 VAL  HA     18 THR  HB      6.11  1.00e+00
 16 VAL  HA     19 ALA  HN      3.89  1.00e+00
 16 VAL  HA     19 ALA  QB      3.77  1.00e+00
 16 VAL  HA     61 ILE  QD1     3.14  1.00e+00
 16 VAL  HB     16 VAL  QG1     4.13  1.00e+00
 16 VAL  HB     16 VAL  QG2     4.25  1.00e+00
 16 VAL  HB     17 SER  HN      2.52  1.00e+00
 16 VAL  QG1    17 SER  HN      4.26  1.00e+00
 16 VAL  QG1    17 SER  HA      4.94  1.00e+00
 16 VAL  QG1    20 GLN  HN      4.03  1.00e+00
 16 VAL  QG1    78 VAL  HB      4.46  1.00e+00
 16 VAL  QG2    17 SER  HN      4.98  1.00e+00
 16 VAL  QG2    61 ILE  QD1     5.93  1.00e+00
 16 VAL  QG2    89 VAL  QG2     5.66  1.00e+00
 17 SER  HN     17 SER  HA      2.64  1.00e+00
 17 SER  HN     17 SER  QB      3.37  1.00e+00
 17 SER  HN     18 THR  HN      2.76  1.00e+00
 17 SER  HN     19 ALA  QB      7.11  1.00e+00
 17 SER  HN     89 VAL  QG2     6.99  1.00e+00
 17 SER  HA     20 GLN  HN      3.24  1.00e+00
 17 SER  HA     20 GLN  HB3     3.39  1.00e+00
 17 SER  HA     21 ALA  HN      4.14  1.00e+00
 18 THR  HN     18 THR  HA      2.72  1.00e+00
 18 THR  HN     18 THR  HB      2.63  1.00e+00
 18 THR  HN     18 THR  QG2     6.58  1.00e+00
 18 THR  HN     19 ALA  HN      2.89  1.00e+00
 18 THR  HN     19 ALA  QB      6.59  1.00e+00
 18 THR  HN     20 GLN  HN      4.00  1.00e+00
 18 THR  HA     18 THR  HB      2.69  1.00e+00
 18 THR  HA     18 THR  QG2     3.45  1.00e+00
 18 THR  HA     19 ALA  HN      3.53  1.00e+00
 18 THR  HA     20 GLN  HN      4.08  1.00e+00
 18 THR  HA     21 ALA  QB      5.18  1.00e+00
 18 THR  HB     18 THR  QG2     4.02  1.00e+00
 18 THR  HB     19 ALA  HN      2.33  1.00e+00
 18 THR  QG2    19 ALA  HN      5.30  1.00e+00
 18 THR  QG2    19 ALA  HA      3.85  1.00e+00
 19 ALA  HN     19 ALA  QB      3.13  1.00e+00
 19 ALA  HN     20 GLN  HN      2.98  1.00e+00
 19 ALA  HN     21 ALA  QB      7.19  1.00e+00
 19 ALA  HN     61 ILE  QD1     6.43  1.00e+00
 19 ALA  HN     78 VAL  QG2     6.01  1.00e+00
 19 ALA  HA     19 ALA  QB      2.86  1.00e+00
 19 ALA  HA     20 GLN  HN      4.05  1.00e+00
 19 ALA  HA     22 ALA  HN      4.92  1.00e+00
 19 ALA  HA     22 ALA  QB      3.77  1.00e+00
 19 ALA  HA     59 TRP  HD1     5.28  1.00e+00
 19 ALA  HA     59 TRP  HE1     3.43  1.00e+00
 19 ALA  QB     20 GLN  HN      3.36  1.00e+00
 19 ALA  QB     21 ALA  HN      5.99  1.00e+00
 19 ALA  QB     59 TRP  HD1     3.78  1.00e+00
 19 ALA  QB     59 TRP  HE1     4.26  1.00e+00
 19 ALA  QB     61 ILE  HA      4.48  1.00e+00
 19 ALA  QB     61 ILE  HB      5.08  1.00e+00
 19 ALA  QB     61 ILE  HG13    5.32  1.00e+00
 19 ALA  QB     61 ILE  HG12    4.66  1.00e+00
 19 ALA  QB     61 ILE  QD1     6.51  1.00e+00
 19 ALA  QB     61 ILE  QG2     6.36  1.00e+00
 19 ALA  QB     62 LEU  HN      5.62  1.00e+00
 20 GLN  HN     20 GLN  HA      3.30  1.00e+00
 20 GLN  HN     20 GLN  HB3     2.84  1.00e+00
 20 GLN  HN     20 GLN  HB2     2.81  1.00e+00
 20 GLN  HN     21 ALA  HN      3.15  1.00e+00
 20 GLN  HN     21 ALA  QB      8.96  1.00e+00
 20 GLN  HN     22 ALA  HN      4.07  1.00e+00
 20 GLN  HN     59 TRP  HD1     4.75  1.00e+00
 20 GLN  HN     61 ILE  QD1     7.22  1.00e+00
 20 GLN  HN     78 VAL  QG2     5.31  1.00e+00
 20 GLN  HA     20 GLN  HB3     3.16  1.00e+00
 20 GLN  HA     20 GLN  HB2     2.74  1.00e+00
 20 GLN  HA     20 GLN  HG3     3.28  1.00e+00
 20 GLN  HA     20 GLN  HG2     3.17  1.00e+00
 20 GLN  HA     21 ALA  HN      5.03  1.00e+00
 20 GLN  HA     22 ALA  HN      5.18  1.00e+00
 20 GLN  HA     23 GLY  HN      3.91  1.00e+00
 20 GLN  HA     23 GLY  HA2     3.60  1.00e+00
 20 GLN  HA     59 TRP  HD1     3.14  1.00e+00
 20 GLN  HA     78 VAL  QG2     4.58  1.00e+00
 20 GLN  HA     80 PHE  HD2     4.04  1.00e+00
 20 GLN  HB3    20 GLN  HB2     2.47  1.00e+00
 20 GLN  HB3    20 GLN  HG2     2.24  1.00e+00
 20 GLN  HB3    21 ALA  HN      3.24  1.00e+00
 20 GLN  HB3    80 PHE  HD1     3.49  1.00e+00 
 20 GLN  HB3    80 PHE  HB2     4.32  1.00e+00
 20 GLN  HB2    20 GLN  HG2     2.35  1.00e+00
 20 GLN  HB2    21 ALA  HN      2.96  1.00e+00
 20 GLN  HE21   20 GLN  HE22    2.49  1.00e+00
 20 GLN  HE21   20 GLN  HG3     3.31  1.00e+00
 20 GLN  HE21   20 GLN  HG2     3.57  1.00e+00
 20 GLN  HE21   80 PHE  HB3     4.73  1.00e+00
 20 GLN  HE21   80 PHE  HB2     4.97  1.00e+00
 20 GLN  HE21   84 ASN  HN      5.33  1.00e+00
 20 GLN  HE21   84 ASN  HA      4.29  1.00e+00
 20 GLN  HE21   85 GLN  HA      4.52  1.00e+00
 20 GLN  HE21   86 LEU  HN      4.11  1.00e+00
 20 GLN  HE21   86 LEU  HA      4.89  1.00e+00
 20 GLN  HE21   86 LEU  QD2     7.50  1.00e+00
 20 GLN  HE22   20 GLN  HG3     3.73  1.00e+00
 20 GLN  HE22   80 PHE  HB3     5.45  1.00e+00
 20 GLN  HE22   80 PHE  HB2     4.75  1.00e+00
 20 GLN  HE22   84 ASN  HA      4.74  1.00e+00
 20 GLN  HE22   85 GLN  HA      4.00  1.00e+00
 20 GLN  HE22   86 LEU  HN      3.37  1.00e+00
 20 GLN  HE22   86 LEU  HA      4.46  1.00e+00
 20 GLN  HE22   86 LEU  QB      4.31  1.00e+00
 20 GLN  HE22   86 LEU  QD2     7.18  1.00e+00
 20 GLN  HE22   87 ALA  HN      5.35  1.00e+00
 20 GLN  HG3    20 GLN  HG2     2.19  1.00e+00
 20 GLN  HG2    80 PHE  HD2     3.87  1.00e+00 
 21 ALA  HN     21 ALA  HA      2.95  1.00e+00
 21 ALA  HN     21 ALA  QB      3.12  1.00e+00
 21 ALA  HN     22 ALA  HN      3.05  1.00e+00
 21 ALA  HN     22 ALA  QB      6.88  1.00e+00
 21 ALA  HN     23 GLY  HN      5.47  1.00e+00
 21 ALA  HN     78 VAL  QG2     7.10  1.00e+00
 21 ALA  HA     21 ALA  QB      2.70  1.00e+00
 21 ALA  HA     22 ALA  HN      5.08  1.00e+00
 21 ALA  HA     24 TYR  HN      3.39  1.00e+00
 21 ALA  HA     24 TYR  HB3     3.92  1.00e+00
 21 ALA  HA     25 LYS+ HN      4.12  1.00e+00
 21 ALA  HA     25 LYS+ QB      5.05  1.00e+00
 21 ALA  QB     22 ALA  HN      4.48  1.00e+00
 21 ALA  QB     23 GLY  HN      5.74  1.00e+00
 22 ALA  HN     22 ALA  HA      3.00  1.00e+00
 22 ALA  HN     22 ALA  QB      2.96  1.00e+00
 22 ALA  HN     23 GLY  HN      3.05  1.00e+00
 22 ALA  HN     23 GLY  HA1     3.99  1.00e+00
 22 ALA  HN     24 TYR  HN      3.64  1.00e+00
 22 ALA  HN     59 TRP  HE1     6.18  1.00e+00
 22 ALA  HN     67 VAL  QG1     5.57  1.00e+00
 22 ALA  HA     22 ALA  QB      2.53  1.00e+00
 22 ALA  HA     23 GLY  HN      3.53  1.00e+00
 22 ALA  HA     24 TYR  HN      4.86  1.00e+00
 22 ALA  HA     25 LYS+ HN      3.47  1.00e+00
 22 ALA  HA     25 LYS+ QB      4.29  1.00e+00
 22 ALA  QB     23 GLY  HN      3.53  1.00e+00
 22 ALA  QB     24 TYR  HN      6.00  1.00e+00
 22 ALA  QB     59 TRP  HD1     6.30  1.00e+00
 22 ALA  QB     59 TRP  HE1     3.96  1.00e+00
 22 ALA  QB     59 TRP  HH2     4.92  1.00e+00
 22 ALA  QB     59 TRP  HZ2     3.22  1.00e+00
 22 ALA  QB     67 VAL  QG1     4.12  1.00e+00
 22 ALA  QB     68 TYR  HN      8.81  1.00e+00
 23 GLY  HN     23 GLY  HA1     2.69  1.00e+00
 23 GLY  HN     24 TYR  HN      3.29  1.00e+00
 23 GLY  HN     59 TRP  HE1     3.74  1.00e+00
 23 GLY  HN     67 VAL  QG2     7.25  1.00e+00
 23 GLY  HN     78 VAL  QG2     6.42  1.00e+00
 23 GLY  HA2    26 LEU  HN      4.58  1.00e+00
 23 GLY  HA2    26 LEU  QD1     5.40  1.00e+00
 23 GLY  HA2    59 TRP  HD1     3.80  1.00e+00
 24 TYR  CG     24 TYR  HA      5.25  1.00e+00
 24 TYR  CG     24 TYR  HB3     5.24  1.00e+00
 24 TYR  CG     24 TYR  HB2     5.13  1.00e+00
 24 TYR  CG     80 PHE  HE1     7.43  1.00e+00
 24 TYR  HN     24 TYR  HA      3.03  1.00e+00
 24 TYR  HN     24 TYR  HB3     3.21  1.00e+00
 24 TYR  HN     24 TYR  HB2     2.69  1.00e+00
 24 TYR  HN     24 TYR  QR      6.01  1.00e+00
 24 TYR  HN     25 LYS+ HN      3.35  1.00e+00
 24 TYR  HN     80 PHE  CZ      3.35  1.00e+00
 24 TYR  HN     80 PHE  HZ      4.30  1.00e+00
 24 TYR  HA     24 TYR  HB3     3.00  1.00e+00
 24 TYR  HA     24 TYR  HB2     3.07  1.00e+00
 24 TYR  HA     25 LYS+ HN      4.33  1.00e+00
 24 TYR  HA     27 HIS+ HN      4.50  1.00e+00
 24 TYR  HA     27 HIS+ HB3     2.59  1.00e+00
 24 TYR  HA     27 HIS+ HB2     2.66  1.00e+00
 24 TYR  HA     27 HIS+ HD2     5.32  1.00e+00
 24 TYR  HA     28 GLU- HN      3.37  1.00e+00
 24 TYR  HA     80 PHE  HZ      3.62  1.00e+00
 24 TYR  HB3    25 LYS+ HN      3.95  1.00e+00
 24 TYR  HB3    80 PHE  HD1     4.81  1.00e+00
 24 TYR  HB2    25 LYS+ HN      2.38  1.00e+00
 24 TYR  QR     28 GLU- HN      6.46  1.00e+00
 25 LYS+ HN     25 LYS+ HA      2.87  1.00e+00
 25 LYS+ HN     25 LYS+ HD3     3.43  1.00e+00
 25 LYS+ HN     25 LYS+ QB      2.55  1.00e+00
 25 LYS+ HN     25 LYS+ QG      6.02  1.00e+00
 25 LYS+ HN     26 LEU  HN      2.97  1.00e+00
 25 LYS+ HN     28 GLU- HN      3.54  1.00e+00
 25 LYS+ HA     25 LYS+ HD2     3.16  1.00e+00
 25 LYS+ HA     25 LYS+ QB      3.24  1.00e+00
 25 LYS+ HA     25 LYS+ QG      4.52  1.00e+00
 25 LYS+ HA     26 LEU  HN      3.81  1.00e+00
 25 LYS+ HA     28 GLU- HN      3.64  1.00e+00
 25 LYS+ HA     28 GLU- HB2     3.21  1.00e+00
 25 LYS+ HA     29 ASP- HN      3.84  1.00e+00
 25 LYS+ HD3    25 LYS+ QE      3.40  1.00e+00
 25 LYS+ HD3    25 LYS+ QG      2.72  1.00e+00
 25 LYS+ HD3    29 ASP- HN      4.94  1.00e+00
 25 LYS+ HD2    25 LYS+ QG      2.65  1.00e+00
 25 LYS+ QB     25 LYS+ QG      3.06  1.00e+00
 25 LYS+ QB     26 LEU  HN      3.65  1.00e+00
 25 LYS+ QE     25 LYS+ QG      4.53  1.00e+00
 25 LYS+ QG     29 ASP- HN      5.73  1.00e+00
 26 LEU  HN     26 LEU  HA      3.13  1.00e+00
 26 LEU  HN     26 LEU  HB3     2.41  1.00e+00
 26 LEU  HN     26 LEU  QD2     5.16  1.00e+00
 26 LEU  HN     27 HIS+ HN      2.58  1.00e+00
 26 LEU  HN     27 HIS+ HB2     5.16  1.00e+00
 26 LEU  HA     26 LEU  HB3     2.53  1.00e+00
 26 LEU  HA     26 LEU  HB2     2.81  1.00e+00
 26 LEU  HA     26 LEU  HG      3.10  1.00e+00
 26 LEU  HA     26 LEU  QD2     4.37  1.00e+00
 26 LEU  HA     29 ASP- HN      3.54  1.00e+00
 26 LEU  HA     29 ASP- HB3     6.00  1.00e+00
 26 LEU  HA     29 ASP- HB2     2.88  1.00e+00
 26 LEU  HB3    26 LEU  HB2     2.15  1.00e+00
 26 LEU  HB3    26 LEU  QD1     4.29  1.00e+00
 26 LEU  HB3    27 HIS+ HN      2.87  1.00e+00
 26 LEU  HB3    32 THR  HA      7.99  1.00e+00
 26 LEU  HB2    26 LEU  QD1     4.66  1.00e+00
 26 LEU  HB2    39 PRO  HD3     3.31  1.00e+00
 26 LEU  HG     26 LEU  QD1     4.18  1.00e+00
 26 LEU  HG     26 LEU  QD2     4.01  1.00e+00
 26 LEU  HG     27 HIS+ HN      3.47  1.00e+00
 26 LEU  HG     31 GLU- HN      3.38  1.00e+00
 26 LEU  HG     32 THR  HA      4.10  1.00e+00
 26 LEU  HG     39 PRO  HD2     3.34  1.00e+00
 26 LEU  QD1    39 PRO  HD2     5.02  1.00e+00
 26 LEU  QD2    27 HIS+ HN      6.42  1.00e+00
 26 LEU  QD2    30 GLY  HN      7.73  1.00e+00
 26 LEU  QD2    31 GLU- HN      6.08  1.00e+00
 26 LEU  QD2    31 GLU- HB2     5.00  1.00e+00
 26 LEU  QD2    32 THR  HN      6.19  1.00e+00
 26 LEU  QD2    32 THR  HA      5.45  1.00e+00
 26 LEU  QD2    33 VAL  HN      5.73  1.00e+00
 26 LEU  QD2    33 VAL  QG2     6.63  1.00e+00
 26 LEU  QD2    59 TRP  HH2     4.62  1.00e+00
 26 LEU  QD2    59 TRP  HZ3     4.86  1.00e+00
 27 HIS+ HN     27 HIS+ HB3     4.89  1.00e+00
 27 HIS+ HN     27 HIS+ HB2     2.29  1.00e+00
 27 HIS+ HN     28 GLU- HN      2.39  1.00e+00
 27 HIS+ HN     39 PRO  HG3     3.42  1.00e+00
 27 HIS+ HA     27 HIS+ HB3     3.29  1.00e+00
 27 HIS+ HA     27 HIS+ HB2     3.16  1.00e+00
 27 HIS+ HA     28 GLU- HN      3.92  1.00e+00
 27 HIS+ HA     29 ASP- HN      4.18  1.00e+00
 27 HIS+ HA     30 GLY  HN      4.04  1.00e+00
 27 HIS+ HA     31 GLU- HN      4.21  1.00e+00
 27 HIS+ HB3    27 HIS+ HB2     2.41  1.00e+00
 27 HIS+ HB3    27 HIS+ HD2     3.14  1.00e+00
 27 HIS+ HB3    28 GLU- HN      3.08  1.00e+00
 27 HIS+ HB3    80 PHE  HE1     2.95  1.00e+00 
 27 HIS+ HB2    27 HIS+ HD2     4.07  1.00e+00
 27 HIS+ HB2    80 PHE  CZ      3.84  1.00e+00 
 27 HIS+ HD2    28 GLU- HN      4.85  1.00e+00
 27 HIS+ HD2    28 GLU- HA      3.94  1.00e+00
 27 HIS+ HD2    28 GLU- HG2     3.60  1.00e+00
 27 HIS+ HD2    80 PHE  HE1     2.65  1.00e+00 
 27 HIS+ HD2    82 GLU- HA      4.94  1.00e+00
 27 HIS+ HD2    82 GLU- HG2     4.97  1.00e+00
 27 HIS+ HE1    57 TYR  HE2     4.08  1.00e+00
 27 HIS+ HE1    57 TYR  QR      6.73  1.00e+00
 28 GLU- HN     28 GLU- HA      3.12  1.00e+00
 28 GLU- HN     28 GLU- HB2     2.53  1.00e+00
 28 GLU- HN     29 ASP- HN      3.13  1.00e+00
 28 GLU- HA     28 GLU- HB3     2.68  1.00e+00
 28 GLU- HA     28 GLU- HB2     2.68  1.00e+00
 28 GLU- HA     28 GLU- HG3     3.69  1.00e+00
 28 GLU- HA     29 ASP- HN      3.70  1.00e+00
 28 GLU- HA     30 GLY  HN      5.23  1.00e+00
 28 GLU- HB3    28 GLU- HB2     1.62  1.00e+00
 28 GLU- HB3    29 ASP- HN      3.00  1.00e+00
 28 GLU- HB2    28 GLU- HG3     2.31  1.00e+00
 28 GLU- HG3    29 ASP- HN      4.63  1.00e+00
 29 ASP- HN     29 ASP- HB2     2.73  1.00e+00
 29 ASP- HN     31 GLU- HN      3.17  1.00e+00
 29 ASP- HA     30 GLY  HN      3.71  1.00e+00
 29 ASP- HB3    31 GLU- HN      3.53  1.00e+00
 29 ASP- HB3    31 GLU- HB2     3.27  1.00e+00
 29 ASP- HB2    30 GLY  HN      3.54  1.00e+00
 29 ASP- HB2    31 GLU- HN      4.36  1.00e+00
 29 ASP- HB2    31 GLU- HG2     2.76  1.00e+00
 30 GLY  HN     30 GLY  HA1     2.84  1.00e+00
 30 GLY  HN     30 GLY  HA2     2.61  1.00e+00
 30 GLY  HN     31 GLU- HN      2.56  1.00e+00
 30 GLY  HN     31 GLU- HG3     4.61  1.00e+00
 30 GLY  HA1    30 GLY  HA2     1.80  1.00e+00
 30 GLY  HA1    31 GLU- HN      3.20  1.00e+00
 30 GLY  HA2    31 GLU- HN      3.25  1.00e+00
 31 GLU- HN     31 GLU- HA      3.21  1.00e+00
 31 GLU- HN     31 GLU- HB3     3.36  1.00e+00
 31 GLU- HN     31 GLU- HB2     2.78  1.00e+00
 31 GLU- HN     31 GLU- HG3     3.32  1.00e+00
 31 GLU- HN     32 THR  QG2     6.76  1.00e+00
 31 GLU- HA     31 GLU- HB2     3.55  1.00e+00
 31 GLU- HA     31 GLU- HG2     3.08  1.00e+00
 31 GLU- HA     32 THR  HN      2.55  1.00e+00
 31 GLU- HB3    31 GLU- HB2     2.18  1.00e+00
 31 GLU- HB3    32 THR  HN      2.95  1.00e+00
 31 GLU- HB2    31 GLU- HG3     2.56  1.00e+00
 31 GLU- HB2    31 GLU- HG2     2.23  1.00e+00
 31 GLU- HB2    32 THR  HN      3.56  1.00e+00
 31 GLU- HG2    32 THR  HN      3.88  1.00e+00
 32 THR  HN     32 THR  HA      3.30  1.00e+00
 32 THR  HN     32 THR  HB      3.91  1.00e+00
 32 THR  HN     32 THR  QG2     4.49  1.00e+00
 32 THR  HA     32 THR  HB      2.81  1.00e+00
 32 THR  HA     32 THR  QG2     4.35  1.00e+00
 32 THR  HA     33 VAL  HN      2.85  1.00e+00
 32 THR  HA     33 VAL  QG1     5.60  1.00e+00
 32 THR  HA     33 VAL  QG2     6.47  1.00e+00
 32 THR  HA     38 TYR  HN      4.01  1.00e+00
 32 THR  HA     39 PRO  HD3     3.30  1.00e+00
 32 THR  HA     39 PRO  HD2     3.60  1.00e+00
 32 THR  HB     32 THR  QG2     3.78  1.00e+00
 32 THR  HB     33 VAL  HN      2.95  1.00e+00
 32 THR  HB     37 SER  HA      2.22  1.00e+00
 32 THR  HB     38 TYR  HN      4.99  1.00e+00
 32 THR  QG2    37 SER  HN      7.37  1.00e+00
 32 THR  QG2    37 SER  HA      5.50  1.00e+00
 32 THR  QG2    38 TYR  HN      4.91  1.00e+00
 33 VAL  HN     33 VAL  HA      3.35  1.00e+00
 33 VAL  HN     33 VAL  HB      4.07  1.00e+00
 33 VAL  HN     33 VAL  QG1     5.65  1.00e+00
 33 VAL  HN     33 VAL  QG2     3.19  1.00e+00
 33 VAL  HN     34 GLY  HN      3.94  1.00e+00
 33 VAL  HN     37 SER  HA      6.39  1.00e+00
 33 VAL  HN     38 TYR  HN      3.10  1.00e+00
 33 VAL  HN     38 TYR  HB2     5.68  1.00e+00
 33 VAL  HN     39 PRO  HD3     4.72  1.00e+00
 33 VAL  HN     59 TRP  HZ3     3.97  1.00e+00
 33 VAL  HA     33 VAL  HB      2.75  1.00e+00
 33 VAL  HA     33 VAL  QG2     3.81  1.00e+00
 33 VAL  HA     34 GLY  HN      2.53  1.00e+00
 33 VAL  HB     33 VAL  QG1     4.53  1.00e+00
 33 VAL  HB     33 VAL  QG2     4.58  1.00e+00
 33 VAL  HB     34 GLY  HN      3.21  1.00e+00
 33 VAL  QG1    34 GLY  HN      6.45  1.00e+00
 33 VAL  QG1    59 TRP  HE3     4.37  1.00e+00
 33 VAL  QG1    59 TRP  HH2     4.43  1.00e+00
 33 VAL  QG1    59 TRP  HZ3     4.81  1.00e+00
 33 VAL  QG1    68 TYR  QB      7.50  1.00e+00
 33 VAL  QG1    69 SER  HN      8.02  1.00e+00
 33 VAL  QG2    38 TYR  CG      6.26  1.00e+00
 33 VAL  QG2    59 TRP  HE3     3.96  1.00e+00
 33 VAL  QG2    59 TRP  HH2     3.64  1.00e+00
 33 VAL  QG2    59 TRP  HZ2     4.36  1.00e+00
 33 VAL  QG2    59 TRP  HZ3     4.86  1.00e+00
 33 VAL  QG2    68 TYR  HA      5.39  1.00e+00
 33 VAL  QG2    69 SER  HN      6.86  1.00e+00
 33 VAL  QG2    69 SER  HA      4.37  1.00e+00
 34 GLY  HN     34 GLY  HA1     2.84  1.00e+00
 34 GLY  HN     70 GLY  HA1     3.77  1.00e+00
 34 GLY  HA1    34 GLY  HA2     2.21  1.00e+00
 34 GLY  HA1    70 GLY  HA1     3.45  1.00e+00
 34 GLY  HA2    70 GLY  HA1     3.34  1.00e+00
 35 SER  HN     35 SER  HB2     4.37  1.00e+00
 36 ASN  HN     36 ASN  HB3     4.80  1.00e+00
 36 ASN  HN     36 ASN  HB2     3.91  1.00e+00
 36 ASN  HN     37 SER  HN      3.89  1.00e+00
 36 ASN  HA     36 ASN  HB3     2.92  1.00e+00
 36 ASN  HA     36 ASN  HB2     2.96  1.00e+00
 36 ASN  HA     37 SER  HN      4.46  1.00e+00
 36 ASN  HB3    36 ASN  HB2     1.90  1.00e+00
 36 ASN  HB3    37 SER  HN      4.36  1.00e+00
 36 ASN  HB3    38 TYR  CG      3.04  1.00e+00
 36 ASN  HB3    38 TYR  HE2     3.16  1.00e+00 
 36 ASN  HB2    36 ASN  HD21    4.70  1.00e+00
 36 ASN  HB2    36 ASN  HD22    4.88  1.00e+00
 36 ASN  HB2    37 SER  HN      4.65  1.00e+00
 36 ASN  HB2    38 TYR  HE2     4.51  1.00e+00
 36 ASN  HD21   36 ASN  HD22    2.45  1.00e+00
 36 ASN  HD21   38 TYR  CZ      2.78  1.00e+00 
 36 ASN  HD22   38 TYR  CZ      3.01  1.00e+00 
 37 SER  HN     37 SER  HA      2.53  1.00e+00
 37 SER  HN     37 SER  HB2     3.12  1.00e+00
 37 SER  HN     38 TYR  HN      9.12  1.00e+00
 37 SER  HN     38 TYR  HB3     5.25  1.00e+00
 37 SER  HN     38 TYR  HB2     5.77  1.00e+00
 37 SER  HN     40 HIS+ HD2     3.72  1.00e+00
 37 SER  HA     37 SER  HB2     2.21  1.00e+00
 37 SER  HA     38 TYR  HN      2.38  1.00e+00
 38 TYR  CG     38 TYR  CZ      6.39  1.00e+00
 38 TYR  HD2    38 TYR  HN      4.47  1.00e+00
 38 TYR  CG     38 TYR  HA      4.07  1.00e+00
 38 TYR  CG     38 TYR  HB3     2.57  1.00e+00
 38 TYR  CG     38 TYR  HB2     2.86  1.00e+00
 38 TYR  CG     39 PRO  HA      3.46  1.00e+00
 38 TYR  CG     40 HIS+ HN      5.66  1.00e+00
 38 TYR  HD1    58 GLU- QG      5.92  1.00e+00
 38 TYR  HD1    59 TRP  HN      5.24  1.00e+00 
 38 TYR  HD1    59 TRP  HA      4.94  1.00e+00
 38 TYR  HD1    60 PRO  HD3     3.63  1.00e+00 
 38 TYR  HD1    60 PRO  HD2     3.46  1.00e+00 
 38 TYR  CG     71 GLY  HA2     4.77  1.00e+00
 38 TYR  HD1    73 PRO  QG      5.59  1.00e+00
 38 TYR  CZ     39 PRO  HA      6.97  1.00e+00
 38 TYR  HE1    58 GLU- QG      5.48  1.00e+00
 38 TYR  HE1    60 PRO  HD3     3.48  1.00e+00 
 38 TYR  HN     38 TYR  HA      3.81  1.00e+00
 38 TYR  HN     38 TYR  HB3     3.20  1.00e+00
 38 TYR  HN     38 TYR  HB2     2.67  1.00e+00
 38 TYR  HN     40 HIS+ HD2     6.03  1.00e+00
 38 TYR  HA     38 TYR  HB3     2.79  1.00e+00
 38 TYR  HA     38 TYR  HB2     4.50  1.00e+00
 38 TYR  HA     39 PRO  HA      2.69  1.00e+00
 38 TYR  HA     40 HIS+ HN      3.90  1.00e+00
 38 TYR  HA     59 TRP  HE3     5.07  1.00e+00
 38 TYR  HB3    38 TYR  HB2     2.40  1.00e+00
 38 TYR  HB3    59 TRP  HE3     2.52  1.00e+00
 38 TYR  HB3    59 TRP  HZ3     3.29  1.00e+00
 38 TYR  HB2    39 PRO  HA      3.72  1.00e+00
 38 TYR  HB2    59 TRP  HE3     3.72  1.00e+00
 38 TYR  HB2    59 TRP  HZ3     4.29  1.00e+00
 39 PRO  HA     39 PRO  HB3     3.43  1.00e+00
 39 PRO  HA     39 PRO  HB2     2.62  1.00e+00
 39 PRO  HA     39 PRO  HG2     3.86  1.00e+00
 39 PRO  HA     40 HIS+ HN      2.51  1.00e+00
 39 PRO  HA     59 TRP  HE3     3.34  1.00e+00
 39 PRO  HA     59 TRP  HZ3     5.06  1.00e+00
 39 PRO  HB3    59 TRP  HB2     3.48  1.00e+00
 39 PRO  HB3    59 TRP  HE3     3.95  1.00e+00
 39 PRO  HB3    80 PHE  HE2     3.87  1.00e+00 
 39 PRO  HB3    80 PHE  HZ      4.03  1.00e+00
 39 PRO  HB2    39 PRO  HG3     2.80  1.00e+00
 39 PRO  HB2    39 PRO  HG2     2.94  1.00e+00
 39 PRO  HB2    40 HIS+ HN      4.07  1.00e+00
 39 PRO  HB2    59 TRP  HE3     4.98  1.00e+00
 39 PRO  HB2    80 PHE  HZ      3.52  1.00e+00
 39 PRO  HD3    39 PRO  HD2     2.31  1.00e+00
 39 PRO  HD3    39 PRO  HG3     3.17  1.00e+00
 39 PRO  HD3    39 PRO  HG2     3.12  1.00e+00
 39 PRO  HD3    59 TRP  HZ3     3.81  1.00e+00
 39 PRO  HD2    39 PRO  HG3     3.28  1.00e+00
 39 PRO  HD2    39 PRO  HG2     3.47  1.00e+00
 39 PRO  HD2    59 TRP  HE3     4.47  1.00e+00
 39 PRO  HD2    59 TRP  HH2     4.25  1.00e+00
 39 PRO  HD2    59 TRP  HZ3     3.46  1.00e+00
 39 PRO  HG3    39 PRO  HG2     2.36  1.00e+00
 39 PRO  HG2    80 PHE  HZ      3.85  1.00e+00
 40 HIS+ HN     40 HIS+ HA      3.69  1.00e+00
 40 HIS+ HN     40 HIS+ HB3     3.73  1.00e+00
 40 HIS+ HN     40 HIS+ HB2     4.03  1.00e+00
 40 HIS+ HN     57 TYR  HB3     4.78  1.00e+00
 40 HIS+ HN     57 TYR  HB2     4.79  1.00e+00
 40 HIS+ HN     58 GLU- HN      3.15  1.00e+00
 40 HIS+ HN     58 GLU- HB3     5.20  1.00e+00
 40 HIS+ HN     58 GLU- QG      4.08  1.00e+00
 40 HIS+ HA     40 HIS+ HB3     3.73  1.00e+00
 40 HIS+ HA     40 HIS+ HB2     2.71  1.00e+00
 40 HIS+ HA     41 LYS+ HN      3.34  1.00e+00
 40 HIS+ HA     57 TYR  HD2     5.26  1.00e+00
 40 HIS+ HB3    40 HIS+ HD2     4.08  1.00e+00
 40 HIS+ HB3    41 LYS+ HN      4.17  1.00e+00
 40 HIS+ HB2    41 LYS+ HN      4.70  1.00e+00
 40 HIS+ HD2    58 GLU- QG      4.09  1.00e+00
 41 LYS+ HN     41 LYS+ HB2     3.09  1.00e+00
 41 LYS+ HN     41 LYS+ HG3     4.91  1.00e+00
 41 LYS+ HN     41 LYS+ HG2     5.07  1.00e+00
 41 LYS+ HN     57 TYR  QR      6.88  1.00e+00
 41 LYS+ HA     41 LYS+ HB2     2.69  1.00e+00
 41 LYS+ HA     41 LYS+ HG3     3.54  1.00e+00
 41 LYS+ HA     42 TYR  HN      2.66  1.00e+00
 41 LYS+ HA     57 TYR  HD2     2.91  1.00e+00 
 41 LYS+ HA     57 TYR  HA      2.58  1.00e+00
 41 LYS+ HA     58 GLU- HN      3.96  1.00e+00
 41 LYS+ HB2    41 LYS+ HG2     2.89  1.00e+00
 41 LYS+ HB2    42 TYR  HN      3.53  1.00e+00
 41 LYS+ HG3    41 LYS+ HG2     2.16  1.00e+00
 41 LYS+ HG3    42 TYR  HN      3.77  1.00e+00
 41 LYS+ HG2    41 LYS+ QD      3.14  1.00e+00
 41 LYS+ HG2    42 TYR  HN      3.92  1.00e+00
 41 LYS+ HG2    43 ASN  HN      5.43  1.00e+00
 41 LYS+ QD     43 ASN  HN      5.39  1.00e+00
 41 LYS+ QD     43 ASN  HD21    5.28  1.00e+00
 41 LYS+ QD     56 TYR  HN      5.45  1.00e+00
 42 TYR  CG     42 TYR  CZ      6.56  1.00e+00
 42 TYR  HD1    42 TYR  HN      4.33  1.00e+00 
 42 TYR  CG     42 TYR  HA      4.42  1.00e+00
 42 TYR  CG     42 TYR  HB3     2.10  1.00e+00
 42 TYR  CG     42 TYR  HB2     2.27  1.00e+00
 42 TYR  HD1    43 ASN  HN      6.00  1.00e+00
 42 TYR  HD1    44 ASN  HN      6.08  1.00e+00
 42 TYR  HD1    44 ASN  HA      6.63  1.00e+00
 42 TYR  HD1    44 ASN  HB3     5.67  1.00e+00
 42 TYR  CG     50 PHE  HE2     4.15  1.00e+00
 42 TYR  HD1    50 PHE  HZ      3.62  1.00e+00
 42 TYR  CG     56 TYR  HN      6.35  1.00e+00
 42 TYR  HD1    56 TYR  HB2     3.79  1.00e+00
 42 TYR  HD2    58 GLU- HB3     4.82  1.00e+00
 42 TYR  CG     79 VAL  QG1     8.82  1.00e+00
 42 TYR  CG     79 VAL  QG2     6.06  1.00e+00 
 42 TYR  HD2    90 ILE  QD1     6.44  1.00e+00
 42 TYR  CZ     42 TYR  HA      6.29  1.00e+00
 42 TYR  HE2    42 TYR  HB3     4.49  1.00e+00 
 42 TYR  HE1    42 TYR  HB2     4.70  1.00e+00 
 42 TYR  HE1    44 ASN  HN      3.89  1.00e+00 
 42 TYR  CZ     50 PHE  HZ      2.34  1.00e+00
 42 TYR  CZ     79 VAL  QG1     9.19  1.00e+00
 42 TYR  CZ     79 VAL  QG2     7.81  1.00e+00
 42 TYR  HE2    90 ILE  QD1     5.08  1.00e+00
 42 TYR  HE2   100 PHE  CG      4.74  1.00e+00 
 42 TYR  HN     42 TYR  HA      4.00  1.00e+00
 42 TYR  HN     42 TYR  HB3     2.60  1.00e+00
 42 TYR  HN     42 TYR  HB2     3.44  1.00e+00
 42 TYR  HN     43 ASN  HN      3.50  1.00e+00
 42 TYR  HN     43 ASN  HB2     3.81  1.00e+00
 42 TYR  HN     56 TYR  HN      3.73  1.00e+00
 42 TYR  HN     56 TYR  HB2     3.15  1.00e+00
 42 TYR  HN     56 TYR  QR      7.46  1.00e+00
 42 TYR  HN     57 TYR  HA      3.92  1.00e+00
 42 TYR  HN     57 TYR  QR      6.79  1.00e+00
 42 TYR  HN     79 VAL  QG1     7.53  1.00e+00
 42 TYR  HA     42 TYR  HB3     2.26  1.00e+00
 42 TYR  HA     42 TYR  HB2     4.75  1.00e+00
 42 TYR  HA     43 ASN  HN      2.41  1.00e+00
 42 TYR  HA     44 ASN  HN      5.19  1.00e+00
 42 TYR  HA     58 GLU- QG      3.98  1.00e+00
 42 TYR  HB3    42 TYR  HB2     2.20  1.00e+00
 42 TYR  HB3    43 ASN  HN      4.71  1.00e+00
 42 TYR  HB3    56 TYR  CG      6.62  1.00e+00
 42 TYR  HB3    56 TYR  HB3     3.33  1.00e+00
 42 TYR  HB3    56 TYR  HB2     2.83  1.00e+00
 42 TYR  HB3    58 GLU- HN      4.62  1.00e+00
 42 TYR  HB3    79 VAL  QG1     3.40  1.00e+00
 42 TYR  HB2    43 ASN  HN      4.30  1.00e+00
 42 TYR  HB2    79 VAL  QG2     3.84  1.00e+00
 43 ASN  HN     43 ASN  HA      3.65  1.00e+00
 43 ASN  HN     43 ASN  HB3     3.54  1.00e+00
 43 ASN  HN     43 ASN  HD21    4.16  1.00e+00
 43 ASN  HN     43 ASN  HD22    3.84  1.00e+00
 43 ASN  HN     44 ASN  HN      4.10  1.00e+00
 43 ASN  HA     43 ASN  HB3     2.95  1.00e+00
 43 ASN  HA     43 ASN  HB2     2.48  1.00e+00
 43 ASN  HB3    44 ASN  HN      3.53  1.00e+00
 43 ASN  HD21   43 ASN  HD22    2.27  1.00e+00
 44 ASN  HN     44 ASN  HA      2.89  1.00e+00
 44 ASN  HN     44 ASN  HB2     4.90  1.00e+00
 44 ASN  HN     44 ASN  HD21    4.96  1.00e+00
 44 ASN  HN     45 TYR  HN      4.36  1.00e+00
 44 ASN  HN     56 TYR  HB3     4.91  1.00e+00
 44 ASN  HA     44 ASN  HB3     2.87  1.00e+00
 44 ASN  HA     44 ASN  HB2     3.07  1.00e+00
 44 ASN  HA     45 TYR  HN      2.62  1.00e+00
 44 ASN  HA     50 PHE  HE2     3.76  1.00e+00 
 44 ASN  HB3    44 ASN  HB2     2.32  1.00e+00
 44 ASN  HB3    44 ASN  HD22    4.72  1.00e+00
 44 ASN  HB3    50 PHE  CG      4.41  1.00e+00
 44 ASN  HB2    44 ASN  HD22    3.84  1.00e+00
 44 ASN  HB2    44 ASN  HD21    3.33  1.00e+00
 44 ASN  HB2    47 GLY  HN      3.87  1.00e+00
 44 ASN  HB2    48 PHE  HN      4.27  1.00e+00
 44 ASN  HD22   44 ASN  HD21    2.41  1.00e+00
 44 ASN  HD22   45 TYR  CZ      6.32  1.00e+00
 44 ASN  HD22   48 PHE  HN      3.78  1.00e+00
 44 ASN  HD22   50 PHE  CG      6.02  1.00e+00
 44 ASN  HD21   47 GLY  HN      2.66  1.00e+00
 44 ASN  HD21   48 PHE  HN      4.62  1.00e+00
 45 TYR  CG     45 TYR  CZ      6.31  1.00e+00
 45 TYR  CG     45 TYR  HN      5.74  1.00e+00
 45 TYR  CG     45 TYR  HB3     2.72  1.00e+00
 45 TYR  CG     45 TYR  HB2     4.98  1.00e+00
 45 TYR  CG     46 GLU- HN      6.27  1.00e+00
 45 TYR  HE1    45 TYR  HA      3.75  1.00e+00 
 45 TYR  HE1    45 TYR  HB2     4.70  1.00e+00 
 45 TYR  CZ     46 GLU- HN      7.00  1.00e+00
 45 TYR  HN     45 TYR  HB3     3.21  1.00e+00
 45 TYR  HN     45 TYR  HB2     2.72  1.00e+00
 45 TYR  HN     46 GLU- HN      2.96  1.00e+00
 45 TYR  HA     45 TYR  HB3     2.74  1.00e+00
 45 TYR  HA     45 TYR  HB2     3.11  1.00e+00
 45 TYR  HA     46 GLU- HN      3.74  1.00e+00
 45 TYR  HA     47 GLY  HN      4.16  1.00e+00
 45 TYR  HB3    45 TYR  HB2     2.17  1.00e+00
 45 TYR  HB3    46 GLU- HN      3.58  1.00e+00
 45 TYR  HB3    47 GLY  HN      4.58  1.00e+00
 45 TYR  HB2    46 GLU- HN      3.78  1.00e+00
 46 GLU- HN     46 GLU- HA      3.21  1.00e+00
 46 GLU- HN     46 GLU- HB3     3.46  1.00e+00
 46 GLU- HN     46 GLU- HB2     3.12  1.00e+00
 46 GLU- HN     46 GLU- HG3     3.93  1.00e+00
 46 GLU- HN     47 GLY  HN      3.27  1.00e+00
 46 GLU- HA     46 GLU- HB3     2.88  1.00e+00
 46 GLU- HA     46 GLU- HB2     3.95  1.00e+00
 46 GLU- HA     46 GLU- HG3     3.00  1.00e+00
 46 GLU- HA     46 GLU- HG2     3.41  1.00e+00
 46 GLU- HB3    46 GLU- HB2     2.25  1.00e+00
 46 GLU- HB3    46 GLU- HG3     3.14  1.00e+00
 46 GLU- HB3    46 GLU- HG2     3.03  1.00e+00
 46 GLU- HB3    47 GLY  HN      6.34  1.00e+00
 46 GLU- HB2    46 GLU- HG3     3.43  1.00e+00
 46 GLU- HB2    46 GLU- HG2     3.21  1.00e+00
 46 GLU- HB2    47 GLY  HN      3.12  1.00e+00
 46 GLU- HB2    48 PHE  HN      4.32  1.00e+00
 46 GLU- HB2    48 PHE  HZ      3.09  1.00e+00
 46 GLU- HG3    46 GLU- HG2     2.31  1.00e+00
 46 GLU- HG3    48 PHE  HZ      4.00  1.00e+00
 46 GLU- HG3   100 PHE  HN      3.74  1.00e+00
 46 GLU- HG2   100 PHE  HN      3.19  1.00e+00
 47 GLY  HN     47 GLY  HA1     2.91  1.00e+00
 47 GLY  HN     47 GLY  HA2     2.74  1.00e+00
 47 GLY  HN     48 PHE  HN      3.07  1.00e+00
 47 GLY  HA1    47 GLY  HA2     2.00  1.00e+00
 47 GLY  HA1    48 PHE  HN      3.53  1.00e+00
 47 GLY  HA2    48 PHE  HN      3.27  1.00e+00
 48 PHE  CG     48 PHE  CZ      6.68  1.00e+00
 48 PHE  HD1    48 PHE  HN      2.95  1.00e+00 
 48 PHE  CG     48 PHE  HB3     3.10  1.00e+00
 48 PHE  HD1    48 PHE  HZ      2.76  1.00e+00 
 48 PHE  HD2    49 ASP- HN      4.48  1.00e+00
 48 PHE  HD2    50 PHE  HE1     3.50  1.00e+00
 48 PHE  CZ     48 PHE  HA      6.51  1.00e+00
 48 PHE  HE1    48 PHE  HZ      2.82  1.00e+00 
 48 PHE  CZ     90 ILE  HG13    6.38  1.00e+00
 48 PHE  CZ     90 ILE  QD1     8.05  1.00e+00
 48 PHE  CZ     90 ILE  QG2     4.59  1.00e+00
 48 PHE  CZ    100 PHE  HB3     4.60  1.00e+00
 48 PHE  HE1   100 PHE  HB2     3.74  1.00e+00
 48 PHE  HE2   101 VAL  HB      6.98  1.00e+00
 48 PHE  HE2   102 GLU- HN      5.57  1.00e+00
 48 PHE  HE2   102 GLU- HA      5.36  1.00e+00
 48 PHE  HN     48 PHE  HA      2.80  1.00e+00
 48 PHE  HN     48 PHE  HB3     3.82  1.00e+00
 48 PHE  HN     48 PHE  HB2     2.97  1.00e+00
 48 PHE  HN     49 ASP- HN      5.30  1.00e+00
 48 PHE  HN     50 PHE  CG      6.42  1.00e+00
 48 PHE  HA     48 PHE  HB3     3.04  1.00e+00
 48 PHE  HA     48 PHE  HB2     3.83  1.00e+00
 48 PHE  HA     49 ASP- HN      2.89  1.00e+00
 48 PHE  HB3    48 PHE  HB2     2.41  1.00e+00
 48 PHE  HB3    49 ASP- HN      3.90  1.00e+00
 48 PHE  HB3    50 PHE  CG      6.31  1.00e+00
 48 PHE  HB3    50 PHE  CZ      4.31  1.00e+00
 48 PHE  HB3    50 PHE  HN      4.59  1.00e+00
 48 PHE  HB3    50 PHE  HZ      3.04  1.00e+00
 48 PHE  HB2    49 ASP- HN      4.13  1.00e+00
 48 PHE  HB2    50 PHE  CG      5.25  1.00e+00
 48 PHE  HB2    50 PHE  CZ      4.53  1.00e+00
 48 PHE  HB2    50 PHE  HN      4.34  1.00e+00
 48 PHE  HB2    50 PHE  HZ      4.03  1.00e+00
 48 PHE  HB2    90 ILE  QG2     6.02  1.00e+00
 48 PHE  HZ     50 PHE  CZ      5.63  1.00e+00
 48 PHE  HZ     90 ILE  QD1     4.75  1.00e+00
 48 PHE  HZ     90 ILE  QG2     4.19  1.00e+00
 48 PHE  HZ    100 PHE  HB3     3.63  1.00e+00
 48 PHE  HZ    100 PHE  HB2     3.68  1.00e+00
 48 PHE  HZ    101 VAL  HN      4.99  1.00e+00
 48 PHE  HZ    101 VAL  HA      2.41  1.00e+00
 48 PHE  HZ    101 VAL  HB      4.82  1.00e+00
 48 PHE  HZ    101 VAL  QG2     7.00  1.00e+00
 48 PHE  HZ    102 GLU- HN      3.51  1.00e+00
 49 ASP- HN     49 ASP- HA      4.08  1.00e+00
 49 ASP- HN     49 ASP- HB2     3.19  1.00e+00
 49 ASP- HN     50 PHE  HN      4.11  1.00e+00
 49 ASP- HA     49 ASP- HB2     3.31  1.00e+00
 49 ASP- HA     50 PHE  HN      2.96  1.00e+00
 49 ASP- HB3    50 PHE  HN      4.01  1.00e+00
 49 ASP- HB2    50 PHE  HN      3.86  1.00e+00
 50 PHE  CG     50 PHE  HN      5.91  1.00e+00
 50 PHE  CG     50 PHE  HA      2.62  1.00e+00 
 50 PHE  CG     50 PHE  HB3     2.64  1.00e+00 
 50 PHE  HD1    51 SER  HN      5.38  1.00e+00
 50 PHE  HD2    79 VAL  QG1     7.51  1.00e+00
 50 PHE  CG     87 ALA  QB      3.50  1.00e+00
 50 PHE  HE2    79 VAL  QG1     5.39  1.00e+00
 50 PHE  HE2    79 VAL  QG2     5.80  1.00e+00 
 50 PHE  CZ     90 ILE  QD1    12.79  1.00e+00
 50 PHE  HE1    90 ILE  QG2     4.91  1.00e+00
 50 PHE  HN     50 PHE  HA      3.80  1.00e+00
 50 PHE  HN     50 PHE  HB3     2.82  1.00e+00
 50 PHE  HN     51 SER  HN      4.25  1.00e+00
 50 PHE  HN     52 VAL  HN      4.03  1.00e+00
 50 PHE  HN     87 ALA  QB      7.64  1.00e+00
 50 PHE  HA     50 PHE  HB3     2.73  1.00e+00
 50 PHE  HA     50 PHE  HB2     2.77  1.00e+00
 50 PHE  HA     51 SER  HN      2.73  1.00e+00
 50 PHE  HA     52 VAL  HN      4.13  1.00e+00
 50 PHE  HA     87 ALA  QB      5.41  1.00e+00
 50 PHE  HB3    51 SER  HN      3.24  1.00e+00
 50 PHE  HB3    52 VAL  HN      3.05  1.00e+00
 50 PHE  HB3    87 ALA  QB      4.75  1.00e+00
 50 PHE  HB2    87 ALA  QB      4.98  1.00e+00
 50 PHE  HZ     79 VAL  QG1     5.53  1.00e+00
 50 PHE  HZ     90 ILE  QD1     4.45  1.00e+00
 50 PHE  HZ     90 ILE  QG2     3.17  1.00e+00
 51 SER  HN     51 SER  HA      4.40  1.00e+00
 51 SER  HN     51 SER  HB3     3.13  1.00e+00
 51 SER  HN     52 VAL  HN      3.15  1.00e+00
 51 SER  HN     52 VAL  QG1     6.70  1.00e+00
 51 SER  HN     52 VAL  QG2     6.36  1.00e+00
 51 SER  HN     87 ALA  QB      7.41  1.00e+00
 51 SER  HA     51 SER  HB3     2.36  1.00e+00
 51 SER  HA     51 SER  HB2     2.53  1.00e+00
 51 SER  HA     52 VAL  HN      3.55  1.00e+00
 51 SER  HB3    51 SER  HB2     1.45  1.00e+00
 52 VAL  HN     52 VAL  HA      3.19  1.00e+00
 52 VAL  HN     52 VAL  HB      3.93  1.00e+00
 52 VAL  HN     52 VAL  QG1     3.86  1.00e+00
 52 VAL  HN     52 VAL  QG2     3.43  1.00e+00
 52 VAL  HN     53 SER  HN      4.38  1.00e+00
 52 VAL  HN     56 TYR  QR      5.83  1.00e+00
 52 VAL  HN     87 ALA  HA      4.42  1.00e+00
 52 VAL  HN     87 ALA  QB      6.45  1.00e+00
 52 VAL  HA     52 VAL  HB      2.59  1.00e+00
 52 VAL  HA     52 VAL  QG1     3.34  1.00e+00
 52 VAL  HA     52 VAL  QG2     7.85  1.00e+00
 52 VAL  HA     53 SER  HN      2.83  1.00e+00
 52 VAL  HA     81 ASN  HD22    5.08  1.00e+00
 52 VAL  HA     85 GLN  QB      5.08  1.00e+00
 52 VAL  HB     52 VAL  QG1     4.20  1.00e+00
 52 VAL  HB     52 VAL  QG2     4.30  1.00e+00
 52 VAL  HB     53 SER  HN      2.77  1.00e+00
 52 VAL  HB     81 ASN  HD21    3.40  1.00e+00
 52 VAL  HB     81 ASN  HD22    3.24  1.00e+00
 52 VAL  QG1    53 SER  HN      4.93  1.00e+00
 52 VAL  QG1    81 ASN  HD21    6.48  1.00e+00
 52 VAL  QG1    81 ASN  HD22    5.95  1.00e+00
 52 VAL  QG1    85 GLN  HN      7.44  1.00e+00
 52 VAL  QG1    85 GLN  HE21    6.27  1.00e+00
 52 VAL  QG1    85 GLN  HE22    5.84  1.00e+00
 52 VAL  QG1    85 GLN  QB      3.77  1.00e+00
 52 VAL  QG1    87 ALA  HA      4.46  1.00e+00
 52 VAL  QG1    87 ALA  QB      7.69  1.00e+00
 52 VAL  QG2    53 SER  HN      5.97  1.00e+00
 52 VAL  QG2    56 TYR  HD1     5.41  1.00e+00 
 52 VAL  QG2    56 TYR  HE1     4.52  1.00e+00 
 52 VAL  QG2    81 ASN  HN      5.94  1.00e+00
 52 VAL  QG2    81 ASN  HD21    5.57  1.00e+00
 52 VAL  QG2    81 ASN  HD22    5.78  1.00e+00
 52 VAL  QG2    85 GLN  HN      6.83  1.00e+00
 52 VAL  QG2    85 GLN  QB      5.64  1.00e+00
 52 VAL  QG2    86 LEU  HN      5.22  1.00e+00
 52 VAL  QG2    87 ALA  HA      4.32  1.00e+00
 53 SER  HN     53 SER  HA      3.42  1.00e+00
 53 SER  HN     53 SER  HB3     2.96  1.00e+00
 53 SER  HN     81 ASN  HD21    4.24  1.00e+00
 53 SER  HN     81 ASN  HD22    4.63  1.00e+00
 53 SER  HA     53 SER  HB3     2.42  1.00e+00
 53 SER  HA     54 SER  HN      2.52  1.00e+00
 53 SER  HB3    54 SER  HN      3.01  1.00e+00
 53 SER  HB3    81 ASN  HD21    4.38  1.00e+00
 54 SER  HN     54 SER  HA      3.05  1.00e+00
 54 SER  HN     54 SER  HB3     2.91  1.00e+00
 54 SER  HN     54 SER  HB2     5.43  1.00e+00
 54 SER  HN     55 PRO  HA      4.71  1.00e+00
 54 SER  HN     56 TYR  QR      6.14  1.00e+00
 54 SER  HA     54 SER  HB3     2.89  1.00e+00
 54 SER  HA     54 SER  HB2     2.85  1.00e+00
 54 SER  HA     55 PRO  HA      3.98  1.00e+00
 54 SER  HA     56 TYR  HE1     4.97  1.00e+00
 54 SER  HA     56 TYR  HN      3.55  1.00e+00
 54 SER  HB3    54 SER  HB2     2.33  1.00e+00
 54 SER  HB3    55 PRO  HA      3.37  1.00e+00
 54 SER  HB3    56 TYR  CZ      4.60  1.00e+00
 54 SER  HB3    56 TYR  HN      4.18  1.00e+00
 54 SER  HB2    55 PRO  HA      2.51  1.00e+00
 54 SER  HB2    55 PRO  HB3     4.11  1.00e+00
 54 SER  HB2    56 TYR  CG      6.64  1.00e+00
 54 SER  HB2    56 TYR  CZ      6.20  1.00e+00
 54 SER  HB2    56 TYR  HN      3.44  1.00e+00
 55 PRO  HA     55 PRO  HB3     2.73  1.00e+00
 55 PRO  HA     55 PRO  HB2     2.80  1.00e+00
 55 PRO  HA     55 PRO  HG3     2.84  1.00e+00
 55 PRO  HA     55 PRO  HG2     3.41  1.00e+00
 55 PRO  HA     56 TYR  HN      2.67  1.00e+00
 55 PRO  HB3    55 PRO  HB2     2.14  1.00e+00
 55 PRO  HB3    55 PRO  HD3     3.16  1.00e+00
 55 PRO  HB3    55 PRO  HD2     2.83  1.00e+00
 55 PRO  HB3    55 PRO  HG3     2.51  1.00e+00
 55 PRO  HB3    55 PRO  HG2     2.40  1.00e+00
 55 PRO  HB3    56 TYR  HN      3.68  1.00e+00
 55 PRO  HB3    57 TYR  HE2     3.17  1.00e+00 
 55 PRO  HB2    56 TYR  HN      3.49  1.00e+00
 55 PRO  HB2    57 TYR  HD2     3.36  1.00e+00 
 55 PRO  HB2    57 TYR  HE2     3.01  1.00e+00 
 55 PRO  HD3    55 PRO  HG3     2.55  1.00e+00
 55 PRO  HD3    55 PRO  HG2     2.49  1.00e+00
 55 PRO  HD3    82 GLU- HB2     2.98  1.00e+00
 55 PRO  HD2    55 PRO  HG3     2.61  1.00e+00
 55 PRO  HD2    55 PRO  HG2     2.52  1.00e+00
 55 PRO  HG3    55 PRO  HG2     1.72  1.00e+00
 56 TYR  CG     56 TYR  HA      4.86  1.00e+00
 56 TYR  CG     56 TYR  HB2     2.17  1.00e+00
 56 TYR  CG     79 VAL  QG1     4.53  1.00e+00
 56 TYR  HD1    81 ASN  HA      3.91  1.00e+00 
 56 TYR  HD1    81 ASN  HB3     3.30  1.00e+00 
 56 TYR  HE1    56 TYR  HA      4.11  1.00e+00 
 56 TYR  CZ     81 ASN  HA      7.00  1.00e+00
 56 TYR  HE1    87 ALA  QB      4.98  1.00e+00 
 56 TYR  HN     56 TYR  HA      3.80  1.00e+00
 56 TYR  HN     56 TYR  HB3     3.60  1.00e+00
 56 TYR  HN     56 TYR  HB2     3.40  1.00e+00
 56 TYR  HN     56 TYR  QR      6.16  1.00e+00
 56 TYR  HN     57 TYR  QR      7.60  1.00e+00
 56 TYR  HA     56 TYR  HB3     2.90  1.00e+00
 56 TYR  HA     56 TYR  HB2     3.41  1.00e+00
 56 TYR  HA     57 TYR  HD2     4.24  1.00e+00 
 56 TYR  HA     57 TYR  HN      2.63  1.00e+00
 56 TYR  HA     79 VAL  QG1     4.34  1.00e+00
 56 TYR  HA     81 ASN  HA      2.88  1.00e+00
 56 TYR  HA     81 ASN  HB2     4.46  1.00e+00
 56 TYR  HB3    56 TYR  HB2     2.37  1.00e+00
 56 TYR  HB3    79 VAL  QG1     3.35  1.00e+00
 56 TYR  HB3    81 ASN  HA      5.73  1.00e+00
 56 TYR  HB2    57 TYR  HN      3.71  1.00e+00
 56 TYR  HB2    79 VAL  QG1     3.36  1.00e+00
 56 TYR  QR     57 TYR  HN      6.37  1.00e+00
 56 TYR  QR     81 ASN  HD21    6.97  1.00e+00
 56 TYR  QR     87 ALA  HN      7.23  1.00e+00
 57 TYR  CG     57 TYR  HA      5.44  1.00e+00
 57 TYR  CG     57 TYR  HB3     2.27  1.00e+00
 57 TYR  CG     57 TYR  HB2     1.95  1.00e+00
 57 TYR  HD1    80 PHE  HD1     3.47  1.00e+00 
 57 TYR  HD1    80 PHE  CZ      5.41  1.00e+00 
 57 TYR  HD1    81 ASN  HA      3.78  1.00e+00 
 57 TYR  HE2    57 TYR  HA      3.97  1.00e+00 
 57 TYR  CZ     57 TYR  HB2     5.46  1.00e+00
 57 TYR  CZ     80 PHE  CG      8.59  1.00e+00
 57 TYR  HE1    80 PHE  HE1     3.28  1.00e+00 
 57 TYR  HE1    81 ASN  HA      6.83  1.00e+00
 57 TYR  CZ     82 GLU- HA      4.98  1.00e+00
 57 TYR  CZ     82 GLU- HG3     6.14  1.00e+00
 57 TYR  HN     57 TYR  HB3     3.92  1.00e+00
 57 TYR  HN     57 TYR  HB2     3.42  1.00e+00
 57 TYR  HN     57 TYR  QR      5.88  1.00e+00
 57 TYR  HN     79 VAL  QG1     6.77  1.00e+00
 57 TYR  HN     80 PHE  HD2     3.69  1.00e+00
 57 TYR  HN     80 PHE  HN      3.05  1.00e+00
 57 TYR  HN     81 ASN  HN      3.36  1.00e+00
 57 TYR  HN     81 ASN  HA      3.79  1.00e+00
 57 TYR  HN     81 ASN  HB3     4.35  1.00e+00
 57 TYR  HA     57 TYR  HB2     4.55  1.00e+00
 57 TYR  HA     58 GLU- HN      2.55  1.00e+00
 57 TYR  HB3    57 TYR  HB2     2.47  1.00e+00
 57 TYR  HB3    80 PHE  CG      3.36  1.00e+00
 57 TYR  HB2    58 GLU- HN      4.17  1.00e+00
 57 TYR  HB2    80 PHE  HE2     4.46  1.00e+00 
 57 TYR  HB2    80 PHE  HZ      5.03  1.00e+00
 57 TYR  QR     58 GLU- HN      6.82  1.00e+00
 57 TYR  QR     81 ASN  HN      7.76  1.00e+00
 57 TYR  QR     82 GLU- HN      5.93  1.00e+00
 58 GLU- HN     58 GLU- HA      3.54  1.00e+00
 58 GLU- HN     58 GLU- HB3     4.70  1.00e+00
 58 GLU- HN     58 GLU- HB2     3.70  1.00e+00
 58 GLU- HN     58 GLU- QG      3.65  1.00e+00
 58 GLU- HN     59 TRP  HN      6.13  1.00e+00
 58 GLU- HN     79 VAL  QG2     5.71  1.00e+00
 58 GLU- HA     58 GLU- HB3     2.92  1.00e+00
 58 GLU- HA     58 GLU- HB2     2.84  1.00e+00
 58 GLU- HA     58 GLU- QG      5.16  1.00e+00
 58 GLU- HA     59 TRP  HN      2.20  1.00e+00
 58 GLU- HA     59 TRP  HA      4.46  1.00e+00
 58 GLU- HA     79 VAL  HA      2.84  1.00e+00
 58 GLU- HA     79 VAL  QG1     6.36  1.00e+00
 58 GLU- HA     79 VAL  QG2     4.34  1.00e+00
 58 GLU- HA     80 PHE  HN      3.10  1.00e+00
 58 GLU- HB3    58 GLU- HB2     1.98  1.00e+00
 58 GLU- HB3    59 TRP  HN      4.15  1.00e+00
 58 GLU- HB2    59 TRP  HN      3.51  1.00e+00
 58 GLU- HB2    79 VAL  QG2     4.31  1.00e+00
 58 GLU- QG     59 TRP  HN      6.04  1.00e+00
 59 TRP  HN     59 TRP  HA      3.39  1.00e+00
 59 TRP  HN     59 TRP  HB3     3.10  1.00e+00
 59 TRP  HN     59 TRP  HB2     3.27  1.00e+00
 59 TRP  HN     59 TRP  HD1     5.20  1.00e+00
 59 TRP  HN     60 PRO  HA      5.58  1.00e+00
 59 TRP  HN     77 ARG+ HA      5.16  1.00e+00
 59 TRP  HN     77 ARG+ HD2     4.44  1.00e+00
 59 TRP  HN     77 ARG+ QB      4.11  1.00e+00
 59 TRP  HN     78 VAL  HN      3.48  1.00e+00
 59 TRP  HN     78 VAL  HA      5.25  1.00e+00
 59 TRP  HN     78 VAL  QG2     5.58  1.00e+00
 59 TRP  HN     79 VAL  HA      3.26  1.00e+00
 59 TRP  HN     79 VAL  QG2     4.07  1.00e+00
 59 TRP  HN     80 PHE  HE2     4.63  1.00e+00 
 59 TRP  HA     59 TRP  HB3     3.28  1.00e+00
 59 TRP  HA     59 TRP  HB2     2.55  1.00e+00
 59 TRP  HA     59 TRP  HE3     3.50  1.00e+00
 59 TRP  HA     60 PRO  HD3     3.13  1.00e+00
 59 TRP  HA     60 PRO  HD2     2.80  1.00e+00
 59 TRP  HB3    59 TRP  HB2     2.37  1.00e+00
 59 TRP  HB3    59 TRP  HD1     2.86  1.00e+00
 59 TRP  HB3    78 VAL  HN      6.00  1.00e+00
 59 TRP  HB3    78 VAL  QG2     5.30  1.00e+00
 59 TRP  HB3    80 PHE  HE2     3.12  1.00e+00 
 59 TRP  HB2    59 TRP  HE1     4.89  1.00e+00
 59 TRP  HB2    59 TRP  HE3     3.04  1.00e+00
 59 TRP  HB2    78 VAL  HN      5.36  1.00e+00
 59 TRP  HB2    80 PHE  HE2     2.86  1.00e+00 
 59 TRP  HD1    59 TRP  HE1     2.78  1.00e+00
 59 TRP  HD1    78 VAL  QG2     4.61  1.00e+00
 59 TRP  HD1    80 PHE  CG      6.31  1.00e+00
 59 TRP  HE1    59 TRP  HZ2     2.90  1.00e+00
 59 TRP  HE1    59 TRP  HZ3     4.03  1.00e+00
 59 TRP  HE1    61 ILE  QD1     7.00  1.00e+00
 59 TRP  HE1    67 VAL  HA      4.20  1.00e+00
 59 TRP  HE1    67 VAL  QG1     6.79  1.00e+00
 59 TRP  HE1    67 VAL  QG2     5.16  1.00e+00
 59 TRP  HE1    68 TYR  QB      5.82  1.00e+00
 59 TRP  HE3    59 TRP  HH2     3.36  1.00e+00
 59 TRP  HE3    59 TRP  HZ3     2.82  1.00e+00
 59 TRP  HE3    60 PRO  HD3     4.58  1.00e+00
 59 TRP  HE3    60 PRO  HD2     3.66  1.00e+00
 59 TRP  HH2    59 TRP  HZ2     2.63  1.00e+00
 59 TRP  HH2    68 TYR  QB      4.93  1.00e+00
 59 TRP  HH2    69 SER  HN      4.80  1.00e+00
 59 TRP  HZ2    59 TRP  HZ3     3.35  1.00e+00
 59 TRP  HZ2    62 LEU  QD1     5.21  1.00e+00
 59 TRP  HZ2    67 VAL  QG1     7.13  1.00e+00
 59 TRP  HZ2    68 TYR  HN      3.51  1.00e+00
 59 TRP  HZ2    68 TYR  HA      4.09  1.00e+00
 59 TRP  HZ2    68 TYR  QB      3.03  1.00e+00
 60 PRO  HA     60 PRO  HB3     3.37  1.00e+00
 60 PRO  HA     60 PRO  HB2     3.00  1.00e+00
 60 PRO  HA     60 PRO  HG2     3.77  1.00e+00
 60 PRO  HA     61 ILE  HN      2.21  1.00e+00
 60 PRO  HA     61 ILE  QG2     5.52  1.00e+00
 60 PRO  HA     77 ARG+ HA      2.61  1.00e+00
 60 PRO  HA     77 ARG+ HD3     2.88  1.00e+00
 60 PRO  HA     77 ARG+ HD2     2.93  1.00e+00
 60 PRO  HA     77 ARG+ QB      3.57  1.00e+00
 60 PRO  HA     78 VAL  HN      4.12  1.00e+00
 60 PRO  HB3    60 PRO  HB2     2.50  1.00e+00
 60 PRO  HB3    60 PRO  HD3     3.45  1.00e+00
 60 PRO  HB3    60 PRO  HG3     3.29  1.00e+00
 60 PRO  HB3    60 PRO  HG2     3.48  1.00e+00
 60 PRO  HB3    68 TYR  HN      5.96  1.00e+00
 60 PRO  HB3    68 TYR  QB      3.78  1.00e+00
 60 PRO  HB2    60 PRO  HG3     3.33  1.00e+00
 60 PRO  HB2    60 PRO  HG2     3.23  1.00e+00
 60 PRO  HB2    61 ILE  HN      3.75  1.00e+00
 60 PRO  HB2    62 LEU  QD2     5.12  1.00e+00
 60 PRO  HB2    73 PRO  HA      4.54  1.00e+00
 60 PRO  HB2    77 ARG+ HA      4.82  1.00e+00
 60 PRO  HD3    60 PRO  HD2     2.63  1.00e+00
 60 PRO  HD3    60 PRO  HG3     3.06  1.00e+00
 60 PRO  HD3    60 PRO  HG2     3.34  1.00e+00
 60 PRO  HD2    60 PRO  HG3     3.44  1.00e+00
 60 PRO  HD2    60 PRO  HG2     3.25  1.00e+00
 60 PRO  HG3    60 PRO  HG2     2.54  1.00e+00
 60 PRO  HG3    73 PRO  HB2     3.66  1.00e+00
 60 PRO  HG2    73 PRO  HB3     3.52  1.00e+00
 60 PRO  HG2    73 PRO  HB2     3.49  1.00e+00
 61 ILE  HN     61 ILE  HB      3.41  1.00e+00
 61 ILE  HN     61 ILE  QG2     4.55  1.00e+00
 61 ILE  HN     62 LEU  HN      4.18  1.00e+00
 61 ILE  HN     76 ASP- HB2     4.61  1.00e+00
 61 ILE  HN     77 ARG+ HN      4.86  1.00e+00
 61 ILE  HN     77 ARG+ HA      4.39  1.00e+00
 61 ILE  HN     77 ARG+ HD3     3.85  1.00e+00
 61 ILE  HA     61 ILE  HB      2.32  1.00e+00
 61 ILE  HA     61 ILE  HG13    3.13  1.00e+00
 61 ILE  HA     61 ILE  HG12    2.94  1.00e+00
 61 ILE  HA     61 ILE  QD1     5.31  1.00e+00
 61 ILE  HA     61 ILE  QG2     4.60  1.00e+00
 61 ILE  HA     62 LEU  HN      2.89  1.00e+00
 61 ILE  HB     61 ILE  QD1     4.21  1.00e+00
 61 ILE  HB     61 ILE  QG2     4.42  1.00e+00
 61 ILE  HB     78 VAL  HN      3.24  1.00e+00
 61 ILE  HG13   61 ILE  HG12    2.47  1.00e+00
 61 ILE  HG13   61 ILE  QD1     4.16  1.00e+00
 61 ILE  HG13   61 ILE  QG2     4.26  1.00e+00
 61 ILE  HG13   62 LEU  HN      3.63  1.00e+00
 61 ILE  HG12   61 ILE  QD1     4.10  1.00e+00
 61 ILE  HG12   62 LEU  HN      3.21  1.00e+00
 61 ILE  QD1    61 ILE  QG2     3.62  1.00e+00
 61 ILE  QD1    78 VAL  HA      5.75  1.00e+00
 61 ILE  QD1    78 VAL  QG2     7.02  1.00e+00
 61 ILE  QG2    62 LEU  HN      6.65  1.00e+00
 61 ILE  QG2    63 SER  HN      6.68  1.00e+00
 61 ILE  QG2    76 ASP- HB3     3.56  1.00e+00
 61 ILE  QG2    76 ASP- HB2     4.58  1.00e+00
 61 ILE  QG2    77 ARG+ HN      4.66  1.00e+00
 61 ILE  QG2    77 ARG+ HA      4.01  1.00e+00
 61 ILE  QG2    78 VAL  HN      4.80  1.00e+00
 61 ILE  QG2    78 VAL  QG1     5.75  1.00e+00
 61 ILE  QG2    89 VAL  QG1     6.19  1.00e+00
 61 ILE  QG2    89 VAL  QG2     6.00  1.00e+00
 62 LEU  HN     62 LEU  HA      3.83  1.00e+00
 62 LEU  HN     62 LEU  HB3     4.19  1.00e+00
 62 LEU  HN     62 LEU  HB2     3.26  1.00e+00
 62 LEU  HN     62 LEU  HG      3.27  1.00e+00
 62 LEU  HN     62 LEU  QD1     5.84  1.00e+00
 62 LEU  HN     62 LEU  QD2     5.36  1.00e+00
 62 LEU  HN     65 GLY  HN      4.01  1.00e+00
 62 LEU  HN     66 ASP- HN      3.75  1.00e+00
 62 LEU  HN     67 VAL  HA      4.95  1.00e+00
 62 LEU  HA     62 LEU  HB3     2.97  1.00e+00
 62 LEU  HA     62 LEU  HB2     3.23  1.00e+00
 62 LEU  HA     62 LEU  HG      3.79  1.00e+00
 62 LEU  HA     62 LEU  QD2     3.27  1.00e+00
 62 LEU  HA     63 SER  HN      2.52  1.00e+00
 62 LEU  HB3    62 LEU  HB2     2.28  1.00e+00
 62 LEU  HB3    62 LEU  QD1     4.32  1.00e+00
 62 LEU  HB3    62 LEU  QD2     3.42  1.00e+00
 62 LEU  HB3    63 SER  HN      3.70  1.00e+00
 62 LEU  HB3    64 SER  HN      3.06  1.00e+00
 62 LEU  HB3    65 GLY  HN      3.87  1.00e+00
 62 LEU  HB3    66 ASP- HN      4.18  1.00e+00
 62 LEU  HB3    68 TYR  HN      5.28  1.00e+00
 62 LEU  HB2    62 LEU  HG      2.80  1.00e+00
 62 LEU  HB2    62 LEU  QD2     4.78  1.00e+00
 62 LEU  HB2    63 SER  HN      5.44  1.00e+00
 62 LEU  HB2    64 SER  HN      3.27  1.00e+00
 62 LEU  HB2    65 GLY  HN      3.81  1.00e+00
 62 LEU  HG     62 LEU  QD1     4.65  1.00e+00
 62 LEU  HG     62 LEU  QD2     4.12  1.00e+00
 62 LEU  HG     68 TYR  HN      6.28  1.00e+00
 62 LEU  QD1    64 SER  HN      5.66  1.00e+00
 62 LEU  QD1    65 GLY  HN      7.12  1.00e+00
 62 LEU  QD1    66 ASP- HN      3.61  1.00e+00
 62 LEU  QD1    66 ASP- HB3     3.40  1.00e+00
 62 LEU  QD1    66 ASP- HB2     3.18  1.00e+00
 62 LEU  QD1    67 VAL  HN      4.40  1.00e+00
 62 LEU  QD1    68 TYR  HN      5.91  1.00e+00
 62 LEU  QD1    68 TYR  HA      4.48  1.00e+00
 62 LEU  QD1    68 TYR  QB      6.41  1.00e+00
 62 LEU  QD1    69 SER  HN      4.96  1.00e+00
 62 LEU  QD2    63 SER  HN      4.26  1.00e+00
 62 LEU  QD2    68 TYR  QB      6.62  1.00e+00
 62 LEU  QD2    73 PRO  HA      4.47  1.00e+00
 63 SER  HN     63 SER  HA      3.77  1.00e+00
 63 SER  HN     63 SER  HB3     2.97  1.00e+00
 63 SER  HN     64 SER  HN      3.82  1.00e+00
 63 SER  HA     63 SER  HB2     2.80  1.00e+00
 64 SER  HN     64 SER  HA      3.06  1.00e+00
 64 SER  HN     64 SER  HB3     2.92  1.00e+00
 64 SER  HN     64 SER  HB2     3.45  1.00e+00
 64 SER  HN     65 GLY  HN      2.95  1.00e+00
 64 SER  HA     64 SER  HB3     2.39  1.00e+00
 64 SER  HA     64 SER  HB2     2.66  1.00e+00
 64 SER  HA     65 GLY  HN      4.47  1.00e+00
 64 SER  HA     66 ASP- HN      5.36  1.00e+00
 64 SER  HB3    64 SER  HB2     1.80  1.00e+00
 64 SER  HB2    66 ASP- HN      4.03  1.00e+00
 65 GLY  HN     65 GLY  HA1     2.95  1.00e+00
 65 GLY  HN     65 GLY  HA2     2.70  1.00e+00
 65 GLY  HN     66 ASP- HN      3.16  1.00e+00
 65 GLY  HA1    65 GLY  HA2     2.10  1.00e+00
 65 GLY  HA1    66 ASP- HN      3.68  1.00e+00
 65 GLY  HA2    66 ASP- HN      3.53  1.00e+00
 66 ASP- HN     66 ASP- HA      4.01  1.00e+00
 66 ASP- HN     66 ASP- HB3     4.31  1.00e+00
 66 ASP- HN     66 ASP- HB2     2.52  1.00e+00
 66 ASP- HA     66 ASP- HB3     2.59  1.00e+00
 66 ASP- HA     66 ASP- HB2     2.79  1.00e+00
 66 ASP- HA     67 VAL  HN      3.34  1.00e+00
 66 ASP- HB3    66 ASP- HB2     2.10  1.00e+00
 66 ASP- HB3    67 VAL  HN      2.99  1.00e+00
 66 ASP- HB2    67 VAL  HN      3.62  1.00e+00
 67 VAL  HN     67 VAL  HA      3.25  1.00e+00
 67 VAL  HN     67 VAL  HB      2.63  1.00e+00
 67 VAL  HN     67 VAL  QG1     5.49  1.00e+00
 67 VAL  HN     68 TYR  HN      4.52  1.00e+00
 67 VAL  HA     67 VAL  HB      3.40  1.00e+00
 67 VAL  HA     67 VAL  QG2     3.22  1.00e+00
 67 VAL  HA     68 TYR  HN      2.68  1.00e+00
 67 VAL  HB     67 VAL  QG2     4.40  1.00e+00
 67 VAL  HB     68 TYR  HN      4.65  1.00e+00
 67 VAL  QG1    68 TYR  HN      3.71  1.00e+00
 67 VAL  QG2    68 TYR  HN      5.13  1.00e+00
 68 TYR  HN     68 TYR  QB      2.94  1.00e+00
 68 TYR  HN     69 SER  HN      4.95  1.00e+00
 68 TYR  HA     68 TYR  QB      3.50  1.00e+00
 68 TYR  QB     69 SER  HN      4.43  1.00e+00
 69 SER  HN     69 SER  HA      3.45  1.00e+00
 69 SER  HN     69 SER  HB3     5.16  1.00e+00
 69 SER  HN     70 GLY  HN      2.89  1.00e+00
 69 SER  HN     70 GLY  HA1     4.27  1.00e+00
 69 SER  HA     69 SER  HB3     2.80  1.00e+00
 69 SER  HA     69 SER  HB2     2.58  1.00e+00
 69 SER  HA     70 GLY  HN      3.21  1.00e+00
 69 SER  HB3    69 SER  HB2     2.07  1.00e+00
 70 GLY  HA1    70 GLY  HA2     2.17  1.00e+00
 70 GLY  HA1    71 GLY  HN      3.80  1.00e+00
 71 GLY  HN     71 GLY  HA1     3.37  1.00e+00
 71 GLY  HN     71 GLY  HA2     3.87  1.00e+00
 71 GLY  HA1    71 GLY  HA2     2.06  1.00e+00
 72 SER  HA     72 SER  QB      3.17  1.00e+00
 72 SER  HA     73 PRO  HD3     2.34  1.00e+00
 72 SER  HA     73 PRO  HD2     2.32  1.00e+00
 72 SER  HA     73 PRO  QG      4.39  1.00e+00
 72 SER  HA     74 GLY  HN      4.92  1.00e+00
 73 PRO  HA     73 PRO  HB3     2.73  1.00e+00
 73 PRO  HA     73 PRO  HB2     2.86  1.00e+00
 73 PRO  HA     73 PRO  QG      4.31  1.00e+00
 73 PRO  HB3    73 PRO  HB2     2.21  1.00e+00
 73 PRO  HB3    73 PRO  HD3     4.31  1.00e+00
 73 PRO  HB3    73 PRO  QG      3.04  1.00e+00
 73 PRO  HB3    74 GLY  HN      4.73  1.00e+00
 73 PRO  HB2    73 PRO  HD2     3.86  1.00e+00
 73 PRO  HB2    73 PRO  QG      3.51  1.00e+00
 73 PRO  HB2    74 GLY  HN     10.72  1.00e+00
 73 PRO  HD3    73 PRO  HD2     1.96  1.00e+00
 73 PRO  HD3    73 PRO  QG      3.17  1.00e+00
 73 PRO  HD2    73 PRO  QG      3.16  1.00e+00
 73 PRO  QG     74 GLY  HN      5.01  1.00e+00
 74 GLY  HN     74 GLY  HA1     2.56  1.00e+00
 74 GLY  HN     74 GLY  HA2     2.52  1.00e+00
 74 GLY  HN     75 ALA  HN      4.05  1.00e+00
 74 GLY  HA1    74 GLY  HA2     1.65  1.00e+00
 74 GLY  HA2    75 ALA  HN      2.69  1.00e+00
 74 GLY  HA2    76 ASP- HN      4.05  1.00e+00
 75 ALA  HN     75 ALA  HA      3.57  1.00e+00
 75 ALA  HN     75 ALA  QB      4.47  1.00e+00
 75 ALA  HN     76 ASP- HN      3.44  1.00e+00
 75 ALA  HN     76 ASP- HB2     5.01  1.00e+00
 75 ALA  HN     92 HIS+ HN      4.00  1.00e+00
 75 ALA  HA     75 ALA  QB      2.76  1.00e+00
 75 ALA  HA     92 HIS+ HD2     2.99  1.00e+00
 75 ALA  QB     76 ASP- HN      5.44  1.00e+00
 75 ALA  QB     77 ARG+ HG3     4.51  1.00e+00
 75 ALA  QB     92 HIS+ HN      3.94  1.00e+00
 75 ALA  QB     92 HIS+ HA      7.97  1.00e+00
 75 ALA  QB     92 HIS+ HB3     5.26  1.00e+00
 75 ALA  QB     92 HIS+ HB2     3.84  1.00e+00
 75 ALA  QB     93 THR  HN      4.72  1.00e+00
 76 ASP- HN     76 ASP- HA      3.75  1.00e+00
 76 ASP- HN     76 ASP- HB3     3.74  1.00e+00
 76 ASP- HN     76 ASP- HB2     3.12  1.00e+00
 76 ASP- HN     91 THR  HB      5.49  1.00e+00
 76 ASP- HA     76 ASP- HB3     2.73  1.00e+00
 76 ASP- HA     76 ASP- HB2     4.89  1.00e+00
 76 ASP- HA     77 ARG+ HN      2.73  1.00e+00
 76 ASP- HA     91 THR  HN      5.04  1.00e+00
 76 ASP- HA     91 THR  HA      2.82  1.00e+00
 76 ASP- HA     91 THR  HB      3.70  1.00e+00
 76 ASP- HA     91 THR  QG2     6.26  1.00e+00
 76 ASP- HA     92 HIS+ HN      3.92  1.00e+00
 76 ASP- HB3    76 ASP- HB2     2.28  1.00e+00
 76 ASP- HB3    77 ARG+ HN      3.25  1.00e+00
 76 ASP- HB3    91 THR  HA      6.02  1.00e+00
 76 ASP- HB2    77 ARG+ HN      5.48  1.00e+00
 77 ARG+ HN     77 ARG+ HA      4.22  1.00e+00
 77 ARG+ HN     77 ARG+ HG2     4.53  1.00e+00
 77 ARG+ HN     77 ARG+ QB      4.01  1.00e+00
 77 ARG+ HN     78 VAL  HN      6.05  1.00e+00
 77 ARG+ HN     89 VAL  HA      3.96  1.00e+00
 77 ARG+ HN     89 VAL  QG1     5.42  1.00e+00
 77 ARG+ HN     90 ILE  HN      4.11  1.00e+00
 77 ARG+ HN     90 ILE  HA      5.93  1.00e+00
 77 ARG+ HN     90 ILE  HG13    3.68  1.00e+00
 77 ARG+ HN     90 ILE  HG12    4.46  1.00e+00
 77 ARG+ HN     91 THR  HA      3.67  1.00e+00
 77 ARG+ HN     91 THR  HB      4.72  1.00e+00
 77 ARG+ HN    100 PHE  HE2     4.94  1.00e+00 
 77 ARG+ HA     77 ARG+ HD3     3.04  1.00e+00
 77 ARG+ HA     77 ARG+ HD2     3.31  1.00e+00
 77 ARG+ HA     77 ARG+ QB      3.46  1.00e+00
 77 ARG+ HA     78 VAL  HN      2.30  1.00e+00
 77 ARG+ HD3    77 ARG+ HD2     2.41  1.00e+00
 77 ARG+ HD3    77 ARG+ HG3     3.70  1.00e+00
 77 ARG+ HD3    78 VAL  HN      4.38  1.00e+00
 77 ARG+ HD2    77 ARG+ HG2     3.79  1.00e+00
 77 ARG+ HD2    77 ARG+ QB      4.03  1.00e+00
 77 ARG+ HD2    78 VAL  HN      4.74  1.00e+00
 77 ARG+ HG3   100 PHE  CZ      5.65  1.00e+00
 77 ARG+ HG2    92 HIS+ HD2     3.75  1.00e+00
 77 ARG+ HG2   100 PHE  HD2     3.19  1.00e+00 
 77 ARG+ QB     90 ILE  HN      4.38  1.00e+00
 77 ARG+ QB     90 ILE  HG12    4.14  1.00e+00
 77 ARG+ QB     90 ILE  QD1     5.56  1.00e+00
 77 ARG+ QB    100 PHE  HD2     4.84  1.00e+00 
 77 ARG+ QH1    77 ARG+ HG3     4.62  1.00e+00 
 73 PRO  HD2    77 ARG+ QH1     4.53  1.00e+00 
 77 ARG+ QH2    77 ARG+ HG3     4.60  1.00e+00 
 73 PRO  HA     77 ARG+ QH2     4.24  1.00e+00 
 73 PRO  HD2    77 ARG+ QH2     3.75  1.00e+00 
 73 PRO  QG     77 ARG+ QH2     5.82  1.00e+00 
 78 VAL  HN     78 VAL  HA      3.65  1.00e+00
 78 VAL  HN     78 VAL  HB      3.22  1.00e+00
 78 VAL  HN     78 VAL  QG2     4.79  1.00e+00
 78 VAL  HN     79 VAL  QG2     6.68  1.00e+00
 78 VAL  HN     89 VAL  QG1     8.71  1.00e+00
 78 VAL  HA     78 VAL  HB      2.46  1.00e+00
 78 VAL  HA     78 VAL  QG2     4.23  1.00e+00
 78 VAL  HA     79 VAL  HN      2.70  1.00e+00
 78 VAL  HA     79 VAL  HA      5.86  1.00e+00
 78 VAL  HA     79 VAL  QG2     5.43  1.00e+00
 78 VAL  HA     88 GLY  HN      5.15  1.00e+00
 78 VAL  HA     89 VAL  HA      2.78  1.00e+00
 78 VAL  HA     89 VAL  QG2     5.03  1.00e+00
 78 VAL  HA     90 ILE  HN      4.84  1.00e+00
 78 VAL  HB     78 VAL  QG2     4.34  1.00e+00
 78 VAL  HB     79 VAL  HN      3.81  1.00e+00
 78 VAL  HB     86 LEU  QD2     4.88  1.00e+00
 78 VAL  QG2    79 VAL  HN      5.11  1.00e+00
 78 VAL  QG2    80 PHE  HD2     5.05  1.00e+00 
 78 VAL  QG2    80 PHE  HE2     5.85  1.00e+00 
 78 VAL  QG2    80 PHE  HN      5.94  1.00e+00
 78 VAL  QG2    89 VAL  QG2     6.25  1.00e+00
 79 VAL  HN     79 VAL  HA      3.44  1.00e+00
 79 VAL  HN     79 VAL  HB      3.12  1.00e+00
 79 VAL  HN     79 VAL  QG1     6.39  1.00e+00
 79 VAL  HN     79 VAL  QG2     4.87  1.00e+00
 79 VAL  HN     87 ALA  HN      3.10  1.00e+00
 79 VAL  HN     87 ALA  QB      3.57  1.00e+00
 79 VAL  HN     88 GLY  HN      3.20  1.00e+00
 79 VAL  HN     90 ILE  HN      5.27  1.00e+00
 79 VAL  HA     79 VAL  HB      3.30  1.00e+00
 79 VAL  HA     79 VAL  QG1     3.08  1.00e+00
 79 VAL  HA     79 VAL  QG2     4.33  1.00e+00
 79 VAL  HA     80 PHE  HD2     4.61  1.00e+00
 79 VAL  HA     80 PHE  HN      2.15  1.00e+00
 79 VAL  HA     80 PHE  HA      5.47  1.00e+00
 79 VAL  HA     90 ILE  QD1     4.45  1.00e+00
 79 VAL  HB     79 VAL  QG1     4.16  1.00e+00
 79 VAL  HB     79 VAL  QG2     4.19  1.00e+00
 79 VAL  HB     87 ALA  HN      3.04  1.00e+00
 79 VAL  HB     87 ALA  QB      4.94  1.00e+00
 79 VAL  HB     88 GLY  HN      2.42  1.00e+00
 79 VAL  QG1    79 VAL  QG2     5.53  1.00e+00
 79 VAL  QG1    80 PHE  HN      5.08  1.00e+00
 79 VAL  QG1    80 PHE  HA      6.55  1.00e+00
 79 VAL  QG1    87 ALA  HN      5.47  1.00e+00
 79 VAL  QG1    87 ALA  QB      5.81  1.00e+00
 79 VAL  QG1    88 GLY  HN      5.98  1.00e+00
 79 VAL  QG1    90 ILE  QD1     7.32  1.00e+00
 79 VAL  QG2    80 PHE  HN      5.50  1.00e+00
 79 VAL  QG2    90 ILE  HG13    5.31  1.00e+00
 79 VAL  QG2    90 ILE  HG12    4.19  1.00e+00
 79 VAL  QG2    90 ILE  QD1     3.74  1.00e+00
 79 VAL  QG2    90 ILE  QG2     6.87  1.00e+00
 79 VAL  QG2   100 PHE  CZ      9.63  1.00e+00
 80 PHE  CG     80 PHE  CZ      6.74  1.00e+00
 80 PHE  CG     80 PHE  HN      4.85  1.00e+00
 80 PHE  CG     80 PHE  HA      5.17  1.00e+00
 80 PHE  CG     80 PHE  HB3     2.44  1.00e+00
 80 PHE  CG     80 PHE  HB2     2.42  1.00e+00
 80 PHE  HD1    80 PHE  HZ      3.48  1.00e+00 
 80 PHE  HD1    81 ASN  HN      5.06  1.00e+00
 80 PHE  CG     81 ASN  HA      6.14  1.00e+00
 80 PHE  CG     84 ASN  HA      5.93  1.00e+00
 80 PHE  HE2    80 PHE  HN      6.40  1.00e+00
 80 PHE  CZ     80 PHE  HZ      4.63  1.00e+00
 80 PHE  HE1    82 GLU- HA      5.13  1.00e+00
 80 PHE  HE1    84 ASN  HN      4.46  1.00e+00
 80 PHE  HN     80 PHE  HA      3.06  1.00e+00
 80 PHE  HN     80 PHE  HB3     7.00  1.00e+00
 80 PHE  HN     80 PHE  HB2     4.22  1.00e+00
 80 PHE  HN     87 ALA  HN      4.14  1.00e+00
 80 PHE  HA     80 PHE  HB3     2.78  1.00e+00
 80 PHE  HA     80 PHE  HB2     2.91  1.00e+00
 80 PHE  HA     81 ASN  HN      2.62  1.00e+00
 80 PHE  HA     81 ASN  HA      9.69  1.00e+00
 80 PHE  HA     86 LEU  HA      2.69  1.00e+00
 80 PHE  HA     87 ALA  HN      2.62  1.00e+00
 80 PHE  HA     87 ALA  QB      7.08  1.00e+00
 80 PHE  HB3    80 PHE  HB2     2.40  1.00e+00
 80 PHE  HB3    81 ASN  HN      3.04  1.00e+00
 80 PHE  HB3    85 GLN  HN      4.02  1.00e+00
 80 PHE  HB3    87 ALA  HN      2.78  1.00e+00
 80 PHE  HB2    81 ASN  HN      3.22  1.00e+00
 80 PHE  HB2    84 ASN  HN      4.53  1.00e+00
 80 PHE  HB2    84 ASN  HA      3.58  1.00e+00
 80 PHE  HB2    85 GLN  HN      4.12  1.00e+00
 80 PHE  HB2    86 LEU  HA      2.29  1.00e+00
 80 PHE  HB2    87 ALA  HN      3.60  1.00e+00
 81 ASN  HN     81 ASN  HA      3.54  1.00e+00
 81 ASN  HN     84 ASN  HN      5.53  1.00e+00
 81 ASN  HN     84 ASN  HA      4.48  1.00e+00
 81 ASN  HN     85 GLN  HN      3.06  1.00e+00
 81 ASN  HN     85 GLN  QB      4.80  1.00e+00
 81 ASN  HN     86 LEU  HA      4.38  1.00e+00
 81 ASN  HA     81 ASN  HB3     2.72  1.00e+00
 81 ASN  HA     81 ASN  HB2     2.85  1.00e+00
 81 ASN  HA     81 ASN  HD21    5.15  1.00e+00
 81 ASN  HA     82 GLU- HN      3.64  1.00e+00
 81 ASN  HA     83 ASN  HN      5.58  1.00e+00
 81 ASN  HB3    81 ASN  HB2     2.39  1.00e+00
 81 ASN  HB3    81 ASN  HD21    3.46  1.00e+00
 81 ASN  HB3    83 ASN  HN      7.79  1.00e+00
 81 ASN  HB3    85 GLN  HN      5.44  1.00e+00
 81 ASN  HB2    81 ASN  HD21    3.47  1.00e+00
 81 ASN  HB2    81 ASN  HD22    4.11  1.00e+00
 81 ASN  HD21   81 ASN  HD22    2.56  1.00e+00
 81 ASN  HD21   85 GLN  QB      4.38  1.00e+00
 81 ASN  HD22   83 ASN  HB3     4.70  1.00e+00
 81 ASN  HD22   83 ASN  HB2     4.15  1.00e+00
 81 ASN  HD22   85 GLN  QB      4.02  1.00e+00
 81 ASN  HD22   86 LEU  HN      3.36  1.00e+00
 82 GLU- HN     82 GLU- HA      2.59  1.00e+00
 82 GLU- HN     82 GLU- HB2     2.61  1.00e+00
 82 GLU- HN     83 ASN  HN      2.83  1.00e+00
 82 GLU- HN     84 ASN  HN      4.94  1.00e+00
 82 GLU- HA     82 GLU- HB2     2.60  1.00e+00
 82 GLU- HA     82 GLU- HG3     3.36  1.00e+00
 82 GLU- HA     83 ASN  HN      5.50  1.00e+00
 82 GLU- HA     84 ASN  HN      4.74  1.00e+00
 82 GLU- HB2    82 GLU- HG2     2.36  1.00e+00
 82 GLU- HB2    83 ASN  HN      3.40  1.00e+00
 82 GLU- HG3    82 GLU- HG2     1.69  1.00e+00
 83 ASN  HN     83 ASN  HA      3.38  1.00e+00
 83 ASN  HN     83 ASN  HB3     3.51  1.00e+00
 83 ASN  HN     83 ASN  HB2     2.64  1.00e+00
 83 ASN  HN     83 ASN  HD22    2.66  1.00e+00
 83 ASN  HN     84 ASN  HN      2.57  1.00e+00
 83 ASN  HN     85 GLN  HN      4.30  1.00e+00
 83 ASN  HN     85 GLN  QB      5.09  1.00e+00
 83 ASN  HA     83 ASN  HB3     2.48  1.00e+00
 83 ASN  HA     83 ASN  HB2     6.84  1.00e+00
 83 ASN  HA     84 ASN  HN      3.40  1.00e+00
 83 ASN  HB3    83 ASN  HB2     2.15  1.00e+00
 83 ASN  HB3    83 ASN  HD22    4.58  1.00e+00
 83 ASN  HB3    83 ASN  HD21    4.57  1.00e+00
 83 ASN  HB3    84 ASN  HN      4.64  1.00e+00
 83 ASN  HB3    85 GLN  HG3     3.77  1.00e+00
 83 ASN  HB2    83 ASN  HD22    3.77  1.00e+00
 83 ASN  HB2    83 ASN  HD21    4.14  1.00e+00
 83 ASN  HB2    84 ASN  HN      4.17  1.00e+00
 83 ASN  HB2    85 GLN  HN      6.80  1.00e+00
 83 ASN  HD22   83 ASN  HD21    2.08  1.00e+00
 83 ASN  HD22   84 ASN  HD21    3.51  1.00e+00
 83 ASN  HD21   85 GLN  HE22    2.56  1.00e+00
 84 ASN  HN     84 ASN  HA      2.50  1.00e+00
 84 ASN  HN     84 ASN  HB3     3.82  1.00e+00
 84 ASN  HN     84 ASN  HB2     4.08  1.00e+00
 84 ASN  HN     85 GLN  HN      3.10  1.00e+00
 84 ASN  HN     85 GLN  HE21    4.12  1.00e+00
 84 ASN  HN     85 GLN  QB      5.63  1.00e+00
 84 ASN  HA     84 ASN  HB3     2.92  1.00e+00
 84 ASN  HA     84 ASN  HB2     3.27  1.00e+00
 84 ASN  HA     85 GLN  HN      3.34  1.00e+00
 84 ASN  HB3    84 ASN  HB2     2.30  1.00e+00
 84 ASN  HB2    84 ASN  HD21    4.74  1.00e+00
 84 ASN  HB2    84 ASN  HD22    4.37  1.00e+00
 84 ASN  HB2    85 GLN  HN      5.54  1.00e+00
 84 ASN  HD21   84 ASN  HD22    3.08  1.00e+00
 85 GLN  HN     85 GLN  HA      3.41  1.00e+00
 85 GLN  HN     85 GLN  HG3     3.21  1.00e+00
 85 GLN  HN     85 GLN  HG2     3.77  1.00e+00
 85 GLN  HN     85 GLN  QB      3.65  1.00e+00
 85 GLN  HA     85 GLN  HG3     3.09  1.00e+00
 85 GLN  HA     85 GLN  HG2     2.97  1.00e+00
 85 GLN  HA     85 GLN  QB      2.88  1.00e+00
 85 GLN  HA     86 LEU  HN      2.55  1.00e+00
 85 GLN  HA     86 LEU  QB      4.22  1.00e+00
 85 GLN  HE21   85 GLN  HE22    2.27  1.00e+00
 85 GLN  HE21   85 GLN  HG3     3.93  1.00e+00
 85 GLN  HE21   85 GLN  HG2     3.49  1.00e+00
 85 GLN  HE21   85 GLN  QB      4.91  1.00e+00
 85 GLN  HE22   85 GLN  HG3     3.95  1.00e+00
 85 GLN  HE22   85 GLN  HG2     3.56  1.00e+00
 85 GLN  HE22   85 GLN  QB      4.88  1.00e+00
 85 GLN  HG3    85 GLN  HG2     1.96  1.00e+00
 85 GLN  HG3    85 GLN  QB      2.68  1.00e+00
 85 GLN  HG3    86 LEU  HN      4.98  1.00e+00
 85 GLN  HG2    85 GLN  QB      3.04  1.00e+00
 85 GLN  HG2    86 LEU  HN      4.53  1.00e+00
 85 GLN  QB     86 LEU  HN      3.89  1.00e+00
 86 LEU  HN     86 LEU  HA      3.27  1.00e+00
 86 LEU  HN     86 LEU  QB      2.56  1.00e+00
 86 LEU  HN     87 ALA  HN      4.22  1.00e+00
 86 LEU  HA     86 LEU  QB      2.47  1.00e+00
 86 LEU  HA     86 LEU  QD1     5.67  1.00e+00
 86 LEU  HA     86 LEU  QD2     4.23  1.00e+00
 86 LEU  HA     87 ALA  HN      2.07  1.00e+00
 86 LEU  HG     86 LEU  QB      2.55  1.00e+00
 86 LEU  HG     86 LEU  QD1     3.82  1.00e+00
 86 LEU  HG     86 LEU  QD2     4.56  1.00e+00
 86 LEU  HG     88 GLY  HN      2.93  1.00e+00
 86 LEU  QB     86 LEU  QD1     4.82  1.00e+00
 86 LEU  QB     86 LEU  QD2     4.95  1.00e+00
 86 LEU  QB     87 ALA  HN      4.44  1.00e+00
 86 LEU  QB     88 GLY  HN      5.42  1.00e+00
 86 LEU  QD2    87 ALA  HN      4.83  1.00e+00
 86 LEU  QD2    87 ALA  QB      5.96  1.00e+00
 86 LEU  QD2    88 GLY  HN      4.71  1.00e+00
 86 LEU  QD2    88 GLY  HA2     5.65  1.00e+00
 87 ALA  HN     87 ALA  HA      3.24  1.00e+00
 87 ALA  HN     87 ALA  QB      4.75  1.00e+00
 87 ALA  HN     88 GLY  HN      2.56  1.00e+00
 87 ALA  HN     88 GLY  HA2     4.14  1.00e+00
 87 ALA  HA     87 ALA  QB      2.74  1.00e+00
 87 ALA  HA     88 GLY  HN      4.08  1.00e+00
 87 ALA  QB     88 GLY  HN      3.65  1.00e+00
 87 ALA  QB     90 ILE  QG2     5.81  1.00e+00
 88 GLY  HN     88 GLY  HA2     2.95  1.00e+00
 88 GLY  HN     89 VAL  HN      4.40  1.00e+00
 88 GLY  HA2    89 VAL  HN      2.63  1.00e+00
 89 VAL  HN     89 VAL  HB      2.58  1.00e+00
 89 VAL  HN     89 VAL  QG1     7.00  1.00e+00
 89 VAL  HN     89 VAL  QG2     4.93  1.00e+00
 89 VAL  HN     90 ILE  HN      4.52  1.00e+00
 89 VAL  HN     90 ILE  QG2     6.17  1.00e+00
 89 VAL  HN    102 GLU- HA      2.24  1.00e+00
 89 VAL  HA     89 VAL  QG1     4.38  1.00e+00
 89 VAL  HA     89 VAL  QG2     3.32  1.00e+00
 89 VAL  HA     90 ILE  HN      3.08  1.00e+00
 89 VAL  HB     89 VAL  QG1     4.16  1.00e+00
 89 VAL  HB     89 VAL  QG2     4.27  1.00e+00
 89 VAL  HB     90 ILE  HN      4.13  1.00e+00
 89 VAL  HB    103 CYSS HN      4.48  1.00e+00
 89 VAL  HB    103 CYSS HB2     3.20  1.00e+00
 89 VAL  QG1    89 VAL  QG2     5.33  1.00e+00
 89 VAL  QG1    90 ILE  HN      3.63  1.00e+00
 89 VAL  QG1   103 CYSS HN      6.03  1.00e+00
 89 VAL  QG1   103 CYSS HB3     5.60  1.00e+00
 89 VAL  QG1   103 CYSS HB2     4.88  1.00e+00
 89 VAL  QG1   104 THR  HN      6.99  1.00e+00
 89 VAL  QG2    90 ILE  HN      5.33  1.00e+00
 89 VAL  QG2   103 CYSS HN      7.01  1.00e+00
 90 ILE  HN     90 ILE  HA      3.66  1.00e+00
 90 ILE  HN     90 ILE  HB      9.66  1.00e+00
 90 ILE  HN     90 ILE  HG13    2.92  1.00e+00
 90 ILE  HN     90 ILE  HG12    3.46  1.00e+00
 90 ILE  HN     90 ILE  QG2     3.29  1.00e+00
 90 ILE  HA     90 ILE  HB      2.96  1.00e+00
 90 ILE  HA     90 ILE  QD1     6.38  1.00e+00
 90 ILE  HA     90 ILE  QG2     3.13  1.00e+00
 90 ILE  HA     91 THR  HN      2.55  1.00e+00
 90 ILE  HA     91 THR  HA      7.49  1.00e+00
 90 ILE  HA    101 VAL  HN      3.93  1.00e+00
 90 ILE  HA    102 GLU- HN      5.04  1.00e+00
 90 ILE  HA    102 GLU- HA      2.35  1.00e+00
 90 ILE  HA    103 CYSS HN      2.86  1.00e+00
 90 ILE  HB     90 ILE  HG13    3.77  1.00e+00
 90 ILE  HB     90 ILE  HG12    3.54  1.00e+00
 90 ILE  HB     90 ILE  QD1     3.57  1.00e+00
 90 ILE  HB     90 ILE  QG2     4.32  1.00e+00
 90 ILE  HB     91 THR  HN      2.56  1.00e+00
 90 ILE  HB    100 PHE  HB3     3.44  1.00e+00
 90 ILE  HB    100 PHE  HB2     3.56  1.00e+00
 90 ILE  HB    101 VAL  HN      3.42  1.00e+00
 90 ILE  HB    103 CYSS HN      5.22  1.00e+00
 90 ILE  HG13   90 ILE  HG12    2.58  1.00e+00
 90 ILE  HG13   90 ILE  QD1     4.71  1.00e+00
 90 ILE  HG13   91 THR  HN      3.76  1.00e+00
 90 ILE  HG13  100 PHE  CG      6.10  1.00e+00
 90 ILE  HG12   90 ILE  QD1     4.93  1.00e+00
 90 ILE  HG12   90 ILE  QG2     4.45  1.00e+00
 90 ILE  HG12   91 THR  HN      4.37  1.00e+00
 90 ILE  HG12  100 PHE  HD2     4.12  1.00e+00 
 90 ILE  QD1    90 ILE  QG2     3.70  1.00e+00
 90 ILE  QD1    91 THR  HN      8.57  1.00e+00
 90 ILE  QD1   100 PHE  CG      7.26  1.00e+00
 90 ILE  QD1   100 PHE  HB3     4.31  1.00e+00
 90 ILE  QD1   100 PHE  HB2     4.94  1.00e+00
 90 ILE  QD1   100 PHE  HZ      5.31  1.00e+00
 90 ILE  QD1   101 VAL  HN      6.62  1.00e+00
 90 ILE  QG2    91 THR  HN      5.63  1.00e+00
 90 ILE  QG2   100 PHE  CZ      6.30  1.00e+00
 90 ILE  QG2   100 PHE  HB3     5.83  1.00e+00
 90 ILE  QG2   100 PHE  HB2     4.53  1.00e+00
 90 ILE  QG2   101 VAL  HN      5.93  1.00e+00
 90 ILE  QG2   102 GLU- HN      6.95  1.00e+00
 90 ILE  QG2   102 GLU- HA      3.18  1.00e+00
 90 ILE  QG2   103 CYSS HN      7.83  1.00e+00
 91 THR  HN     91 THR  HA      3.47  1.00e+00
 91 THR  HN     91 THR  HB      3.53  1.00e+00
 91 THR  HN     91 THR  QG2     3.34  1.00e+00
 91 THR  HN     95 ALA  QB      6.05  1.00e+00
 91 THR  HN    100 PHE  HD2     5.60  1.00e+00
 91 THR  HN    100 PHE  HE2     6.97  1.00e+00
 91 THR  HN    100 PHE  HA      4.03  1.00e+00
 91 THR  HN    100 PHE  HB3     3.61  1.00e+00
 91 THR  HN    100 PHE  HB2     4.22  1.00e+00
 91 THR  HN    101 VAL  QG1     9.04  1.00e+00
 91 THR  HN    101 VAL  QG2     4.65  1.00e+00
 91 THR  HN    102 GLU- HA      3.58  1.00e+00
 91 THR  HN    103 CYSS HN      4.22  1.00e+00
 91 THR  HA     91 THR  HB      3.05  1.00e+00
 91 THR  HA     91 THR  QG2     4.76  1.00e+00
 91 THR  HA     92 HIS+ HN      2.94  1.00e+00
 91 THR  HA     92 HIS+ HA      7.04  1.00e+00
 91 THR  HA     93 THR  HN      4.32  1.00e+00
 91 THR  HA    100 PHE  HD2     3.94  1.00e+00 
 91 THR  HA    100 PHE  HE2     4.40  1.00e+00
 91 THR  HB     91 THR  QG2     4.07  1.00e+00
 91 THR  HB     92 HIS+ HN      3.50  1.00e+00
 91 THR  HB    101 VAL  QG2     5.83  1.00e+00
 91 THR  QG2    92 HIS+ HN      5.76  1.00e+00
 91 THR  QG2    93 THR  HN      3.34  1.00e+00
 91 THR  QG2   101 VAL  HN      5.60  1.00e+00
 91 THR  QG2   101 VAL  QG2     3.77  1.00e+00
 91 THR  QG2   102 GLU- HA      4.63  1.00e+00
 91 THR  QG2   103 CYSS HA      5.53  1.00e+00
 92 HIS+ HN     92 HIS+ HA      3.61  1.00e+00
 92 HIS+ HN     92 HIS+ HB3     3.50  1.00e+00
 92 HIS+ HN     92 HIS+ HB2     3.01  1.00e+00
 92 HIS+ HN     95 ALA  QB      6.03  1.00e+00
 92 HIS+ HN    100 PHE  HE2     3.86  1.00e+00 
 92 HIS+ HN    100 PHE  HA      5.06  1.00e+00
 92 HIS+ HA     92 HIS+ HB3     3.13  1.00e+00
 92 HIS+ HA     92 HIS+ HB2     3.20  1.00e+00
 92 HIS+ HA     92 HIS+ HD2     4.84  1.00e+00
 92 HIS+ HA     93 THR  HN      3.12  1.00e+00
 92 HIS+ HA     95 ALA  HN      5.98  1.00e+00
 92 HIS+ HA     95 ALA  QB      3.65  1.00e+00
 92 HIS+ HA    100 PHE  HD2     4.24  1.00e+00
 92 HIS+ HA    100 PHE  HA      2.86  1.00e+00
 92 HIS+ HB3    92 HIS+ HB2     2.26  1.00e+00
 92 HIS+ HB3    92 HIS+ HD2     3.87  1.00e+00
 92 HIS+ HB3    93 THR  HN      5.85  1.00e+00
 92 HIS+ HB2    92 HIS+ HD2     3.45  1.00e+00
 92 HIS+ HB2    93 THR  HN      3.80  1.00e+00
 92 HIS+ HD2   100 PHE  HD2     2.56  1.00e+00 
 93 THR  HN     93 THR  HA      3.71  1.00e+00
 93 THR  HN     93 THR  QG2     4.64  1.00e+00
 93 THR  HN     94 GLY  HN      3.88  1.00e+00
 93 THR  HN     94 GLY  HA2     4.78  1.00e+00
 93 THR  HN    101 VAL  QG2     7.11  1.00e+00
 93 THR  HA     93 THR  HB      2.92  1.00e+00
 93 THR  HA     93 THR  QG2     4.33  1.00e+00
 93 THR  HA     94 GLY  HN      2.62  1.00e+00
 93 THR  HA     95 ALA  HN      3.92  1.00e+00
 93 THR  HB     93 THR  QG2     3.90  1.00e+00
 93 THR  HB     94 GLY  HN      4.36  1.00e+00
 93 THR  HB     95 ALA  HN      5.40  1.00e+00
 93 THR  QG2    94 GLY  HN      5.02  1.00e+00
 93 THR  QG2    95 ALA  HN      5.30  1.00e+00
 94 GLY  HN     94 GLY  HA1     3.40  1.00e+00
 94 GLY  HN     94 GLY  HA2     2.84  1.00e+00
 94 GLY  HN     95 ALA  HN      3.18  1.00e+00
 94 GLY  HA1    94 GLY  HA2     2.14  1.00e+00
 94 GLY  HA1    95 ALA  HN      3.61  1.00e+00
 94 GLY  HA2    95 ALA  HN      3.47  1.00e+00
 95 ALA  HN     95 ALA  HA      3.84  1.00e+00
 95 ALA  HN     95 ALA  QB      3.32  1.00e+00
 95 ALA  HN     96 SER  HN      5.41  1.00e+00
 95 ALA  HN     97 GLY  HN      3.84  1.00e+00
 95 ALA  HN    101 VAL  QG1     7.08  1.00e+00
 95 ALA  HN    101 VAL  QG2     5.40  1.00e+00
 95 ALA  HA     95 ALA  QB      3.04  1.00e+00
 95 ALA  HA     96 SER  HN      2.98  1.00e+00
 95 ALA  HA     96 SER  QB      4.32  1.00e+00
 95 ALA  HA    101 VAL  QG1     3.72  1.00e+00
 95 ALA  HA    101 VAL  QG2     4.91  1.00e+00
 95 ALA  QB     96 SER  HN      4.14  1.00e+00
 95 ALA  QB     97 GLY  HN      7.09  1.00e+00
 95 ALA  QB     99 ASN  HN      5.24  1.00e+00
 95 ALA  QB     99 ASN  HB3     4.63  1.00e+00
 95 ALA  QB     99 ASN  HB2     4.86  1.00e+00
 95 ALA  QB    100 PHE  HN      5.50  1.00e+00
 95 ALA  QB    100 PHE  HA      3.59  1.00e+00
 95 ALA  QB    101 VAL  HN      5.61  1.00e+00
 95 ALA  QB    101 VAL  QG1     4.26  1.00e+00
 95 ALA  QB    101 VAL  QG2     4.62  1.00e+00
 96 SER  HN     96 SER  QB      3.65  1.00e+00
 96 SER  HN     97 GLY  HN      2.72  1.00e+00
 96 SER  HN     97 GLY  HA2     4.07  1.00e+00
 96 SER  HN    101 VAL  QG1     6.47  1.00e+00
 96 SER  HN    101 VAL  QG2     6.80  1.00e+00
 96 SER  HA     99 ASN  HD22    3.07  1.00e+00
 97 GLY  HN     97 GLY  HA1     2.57  1.00e+00
 97 GLY  HN     99 ASN  HN      4.31  1.00e+00
 97 GLY  HA1    98 ASN  HN      2.90  1.00e+00
 97 GLY  HA1    99 ASN  HN      3.65  1.00e+00
 98 ASN  HN     98 ASN  HA      2.28  1.00e+00
 98 ASN  HN     99 ASN  HN      3.44  1.00e+00
 98 ASN  HA     98 ASN  HD21    3.20  1.00e+00
 98 ASN  HA     98 ASN  HD22    3.26  1.00e+00
 98 ASN  HA     99 ASN  HN      3.00  1.00e+00
 98 ASN  HD21   98 ASN  HD22    2.11  1.00e+00
 98 ASN  HD22  100 PHE  HZ      3.86  1.00e+00
 99 ASN  HN     99 ASN  HA      3.24  1.00e+00
 99 ASN  HN     99 ASN  HD22    3.98  1.00e+00
 99 ASN  HN    100 PHE  HN      4.47  1.00e+00
 99 ASN  HA     99 ASN  HB3     2.68  1.00e+00
 99 ASN  HA     99 ASN  HB2     2.64  1.00e+00
 99 ASN  HA    100 PHE  HN      3.05  1.00e+00
 99 ASN  HD21   99 ASN  HD22    2.18  1.00e+00
 99 ASN  HD21  100 PHE  HN      3.96  1.00e+00
100 PHE  CG    100 PHE  CZ      6.37  1.00e+00
100 PHE  HD1   100 PHE  HN      3.54  1.00e+00 
100 PHE  CG    100 PHE  HA      4.08  1.00e+00
100 PHE  CG    100 PHE  HB2     2.02  1.00e+00
100 PHE  HD2   101 VAL  HN      5.27  1.00e+00
100 PHE  HN    100 PHE  HA      3.82  1.00e+00
100 PHE  HN    100 PHE  HB2     2.89  1.00e+00
100 PHE  HA    100 PHE  HB3     3.21  1.00e+00
100 PHE  HA    100 PHE  HB2     3.41  1.00e+00
100 PHE  HA    101 VAL  HN      2.80  1.00e+00
100 PHE  HA    101 VAL  QG2     5.91  1.00e+00
100 PHE  HB3   100 PHE  HB2     2.30  1.00e+00
100 PHE  HB3   101 VAL  HN      3.26  1.00e+00
101 VAL  HN    101 VAL  HA      3.47  1.00e+00
101 VAL  HN    101 VAL  HB      5.00  1.00e+00
101 VAL  HN    101 VAL  QG1     5.54  1.00e+00
101 VAL  HN    101 VAL  QG2     3.26  1.00e+00
101 VAL  HN    102 GLU- HN      4.18  1.00e+00
101 VAL  HN    102 GLU- HA      3.98  1.00e+00
101 VAL  HA    101 VAL  HB      2.36  1.00e+00
101 VAL  HA    101 VAL  QG2     3.31  1.00e+00
101 VAL  HA    102 GLU- HN      2.08  1.00e+00
101 VAL  HB    101 VAL  QG1     4.32  1.00e+00
101 VAL  HB    101 VAL  QG2     4.39  1.00e+00
101 VAL  HB    102 GLU- HN      2.38  1.00e+00
101 VAL  QG1   102 GLU- HN      5.57  1.00e+00
101 VAL  QG2   102 GLU- HN      6.63  1.00e+00
102 GLU- HN    102 GLU- HA      2.62  1.00e+00
102 GLU- HN    102 GLU- HG2     4.12  1.00e+00
102 GLU- HA    102 GLU- HB3     3.08  1.00e+00
102 GLU- HA    103 CYSS HN      2.09  1.00e+00
102 GLU- HG2   103 CYSS HN      3.78  1.00e+00
103 CYSS HN    103 CYSS HA      2.98  1.00e+00
103 CYSS HN    103 CYSS HB3     2.96  1.00e+00
103 CYSS HN    103 CYSS HB2     3.41  1.00e+00
103 CYSS HN    104 THR  QG2     6.35  1.00e+00
103 CYSS HA    103 CYSS HB3     2.87  1.00e+00
103 CYSS HA    103 CYSS HB2     3.21  1.00e+00
103 CYSS HA    104 THR  HN      2.72  1.00e+00
103 CYSS HA    104 THR  HA      5.92  1.00e+00
103 CYSS HA    104 THR  QG2     5.73  1.00e+00
103 CYSS HB3   103 CYSS HB2     2.35  1.00e+00
103 CYSS HB3   104 THR  HN      3.13  1.00e+00
103 CYSS HB2   104 THR  HN      3.64  1.00e+00
104 THR  HN    104 THR  HA      2.71  1.00e+00
104 THR  HN    104 THR  QG2     4.00  1.00e+00
104 THR  HA    104 THR  QG2     3.52  1.00e+00
# lower distance restraints in DIANA format
# Depositors:   S. Pfeiffer, Y. Karimi-Nejad, H. Rueterjans
# Molecule:     RIBONUCLEASE T1 (NMR structure of the enzyme)
# associated files: rnaset1.upl, rnaset1.aco, rnaset1.txt, rnaset1.pdb
  2 CYSS HA      2 CYSS HN      2.84  1.00e+00
  3 ASP- HN      2 CYSS HA      2.37  1.00e+00
  3 ASP- HB3     3 ASP- HA      2.55  1.00e+00
  3 ASP- HB2     3 ASP- HA      3.14  1.00e+00
  4 TYR  CG      4 TYR  HB3     0.99  1.00e+00
  4 TYR  CZ      3 ASP- HB3     3.99  1.00e+00
  4 TYR  HB3     4 TYR  HA      2.75  1.00e+00
  5 THR  HN      4 TYR  CG      1.72  1.00e+00
  5 THR  HN      4 TYR  HA      2.59  1.00e+00
  5 THR  HN      4 TYR  HB3     2.34  1.00e+00
  5 THR  HB      5 THR  HA      2.76  1.00e+00
  5 THR  QG2     5 THR  HA      2.90  1.00e+00
  6 CYSS HB3     6 CYSS HA      2.42  1.00e+00
  7 GLY  HN      6 CYSS HA      2.07  1.00e+00
  8 SER  HB3     8 SER  HN      3.72  1.00e+00
  8 SER  HB3     8 SER  HA      2.77  1.00e+00
  9 ASN  HN      8 SER  HN      2.41  1.00e+00
  9 ASN  HN      8 SER  HA      2.97  1.00e+00
  9 ASN  HB3     5 THR  HA      2.91  1.00e+00
  9 ASN  HB2     9 ASN  HN      2.04  1.00e+00
 10 CYSS HA     10 CYSS HN      2.86  1.00e+00
 10 CYSS HB3    10 CYSS HN      2.60  1.00e+00
 10 CYSS HB2    10 CYSS HN      2.98  1.00e+00
 10 CYSS HB2    10 CYSS HA      2.28  1.00e+00
 11 TYR  CG     11 TYR  HA      2.18  1.00e+00
 11 TYR  CG     11 TYR  HB2     1.95  1.00e+00
 11 TYR  CZ      6 CYSS HN      3.21  1.00e+00
 11 TYR  CZ      6 CYSS HB2     1.83  1.00e+00
 11 TYR  CZ      9 ASN  HB3     2.36  1.00e+00
 11 TYR  CZ      9 ASN  HB2     3.53  1.00e+00
 11 TYR  HN      5 THR  HA      2.56  1.00e+00
 11 TYR  HN     10 CYSS HB2     3.61  1.00e+00
 11 TYR  HA     10 CYSS HA      3.65  1.00e+00
 11 TYR  HA     11 TYR  HN      2.92  1.00e+00
 11 TYR  HB3    11 TYR  HN      2.09  1.00e+00
 11 TYR  HB3    11 TYR  HA      2.54  1.00e+00
 12 SER  HN     11 TYR  HB3     3.46  1.00e+00
 12 SER  HA      3 ASP- HB3     3.50  1.00e+00
 12 SER  HA      3 ASP- HB2     2.46  1.00e+00
 13 SER  HN      3 ASP- HB3     3.44  1.00e+00
 13 SER  HN      3 ASP- HB2     2.87  1.00e+00
 13 SER  HN      4 TYR  CG      1.90  1.00e+00
 13 SER  HN     12 SER  HA      2.39  1.00e+00
 13 SER  HA      4 TYR  CZ      3.60  1.00e+00
 13 SER  HA     13 SER  HN      2.80  1.00e+00
 14 SER  HN     12 SER  HA      3.65  1.00e+00
 15 ASP- HN     12 SER  HN      3.82  1.00e+00
 15 ASP- HN     13 SER  HA      3.51  1.00e+00
 15 ASP- HB3    11 TYR  CG      1.72  1.00e+00
 15 ASP- HB3    12 SER  HN      3.49  1.00e+00
 15 ASP- HB3    15 ASP- HA      2.53  1.00e+00
 15 ASP- HB2    12 SER  HN      2.55  1.00e+00
 15 ASP- HB2    15 ASP- HN      2.59  1.00e+00
 16 VAL  HN     15 ASP- HN      2.51  1.00e+00
 16 VAL  HN     15 ASP- HB3     2.65  1.00e+00
 16 VAL  HN     15 ASP- HB2     2.40  1.00e+00
 16 VAL  HA     16 VAL  HN      2.59  1.00e+00
 16 VAL  HB     13 SER  HA      2.13  1.00e+00
 16 VAL  HB     16 VAL  HN      2.13  1.00e+00
 16 VAL  HB     16 VAL  HA      2.52  1.00e+00
 16 VAL  QG1    16 VAL  HN      2.50  1.00e+00
 16 VAL  QG1    16 VAL  HA      2.51  1.00e+00
 16 VAL  QG2    13 SER  HA      3.06  1.00e+00
 16 VAL  QG2    15 ASP- HB2     3.35  1.00e+00
 16 VAL  QG2    16 VAL  HN      2.84  1.00e+00
 16 VAL  QG2    16 VAL  HA      2.66  1.00e+00
 17 SER  HN     16 VAL  HA      3.95  1.00e+00
 17 SER  HN     16 VAL  HB      2.40  1.00e+00
 17 SER  HN     16 VAL  QG1     3.61  1.00e+00
 17 SER  HA     17 SER  HN      2.47  1.00e+00
 18 THR  HN     17 SER  HN      2.66  1.00e+00
 18 THR  QG2    18 THR  HA      3.14  1.00e+00
 19 ALA  HN     16 VAL  HA      3.74  1.00e+00
 19 ALA  HN     18 THR  HB      2.26  1.00e+00
 19 ALA  HA     18 THR  QG2     3.60  1.00e+00
 19 ALA  QB     16 VAL  HA      3.50  1.00e+00
 19 ALA  QB     19 ALA  HN      3.04  1.00e+00
 19 ALA  QB     19 ALA  HA      2.67  1.00e+00
 20 GLN  HN     16 VAL  QG1     3.30  1.00e+00
 20 GLN  HN     17 SER  HA      3.08  1.00e+00
 20 GLN  HN     19 ALA  HN      2.73  1.00e+00
 20 GLN  HN     19 ALA  HA      3.70  1.00e+00
 20 GLN  HN     19 ALA  QB      3.11  1.00e+00
 20 GLN  HA     20 GLN  HN      2.93  1.00e+00
 20 GLN  HB3    20 GLN  HN      2.39  1.00e+00
 20 GLN  HB2    20 GLN  HN      2.33  1.00e+00
 20 GLN  HB2    20 GLN  HA      2.26  1.00e+00
 21 ALA  HN     20 GLN  HN      2.98  1.00e+00
 21 ALA  HN     20 GLN  HA      3.34  1.00e+00
 21 ALA  HN     20 GLN  HB3     2.70  1.00e+00
 21 ALA  HN     20 GLN  HB2     2.52  1.00e+00
 21 ALA  HA     21 ALA  HN      2.80  1.00e+00
 21 ALA  QB     21 ALA  HN      2.96  1.00e+00
 21 ALA  QB     21 ALA  HA      2.65  1.00e+00
 22 ALA  HN     19 ALA  HA      2.85  1.00e+00
 22 ALA  HN     20 GLN  HN      3.78  1.00e+00
 22 ALA  HN     21 ALA  HN      2.89  1.00e+00
 22 ALA  HA     22 ALA  HN      2.82  1.00e+00
 22 ALA  QB     19 ALA  HA      3.69  1.00e+00
 22 ALA  QB     22 ALA  HN      2.84  1.00e+00
 22 ALA  QB     22 ALA  HA      2.29  1.00e+00
 23 GLY  HN     22 ALA  HA      3.35  1.00e+00
 23 GLY  HN     22 ALA  QB      3.44  1.00e+00
 24 TYR  HN     21 ALA  HA      3.26  1.00e+00
 24 TYR  HA     24 TYR  HN      2.81  1.00e+00
 24 TYR  HB3    21 ALA  HA      2.94  1.00e+00
 24 TYR  HB3    24 TYR  HN      2.60  1.00e+00
 24 TYR  HB3    24 TYR  HA      2.64  1.00e+00
 25 LYS+ HN     21 ALA  HA      3.67  1.00e+00
 25 LYS+ HN     22 ALA  HA      3.31  1.00e+00
 25 LYS+ HN     24 TYR  HB3     3.31  1.00e+00
 25 LYS+ HN     24 TYR  HB2     2.31  1.00e+00
 25 LYS+ HA     25 LYS+ HN      2.58  1.00e+00
 25 LYS+ QB     22 ALA  HA      3.42  1.00e+00
 25 LYS+ QB     25 LYS+ HN      2.41  1.00e+00
 25 LYS+ QG     25 LYS+ HA      3.39  1.00e+00
 25 LYS+ QG     25 LYS+ QB      2.95  1.00e+00
 26 LEU  HB3    25 LYS+ HN      3.47  1.00e+00
 26 LEU  HB3    26 LEU  HN      2.11  1.00e+00
 26 LEU  HB3    26 LEU  HA      2.02  1.00e+00
 27 HIS+ HN     24 TYR  HA      3.50  1.00e+00
 27 HIS+ HN     26 LEU  HN      2.30  1.00e+00
 27 HIS+ HN     26 LEU  HB3     2.71  1.00e+00
 27 HIS+ HB3    27 HIS+ HN      2.42  1.00e+00
 27 HIS+ HB2    27 HIS+ HN      2.12  1.00e+00
 27 HIS+ HB2    27 HIS+ HA      2.16  1.00e+00
 27 HIS+ HD2    27 HIS+ HB3     2.95  1.00e+00
 28 GLU- HN     24 TYR  HA      3.17  1.00e+00
 28 GLU- HN     25 LYS+ HN      3.02  1.00e+00
 28 GLU- HN     27 HIS+ HN      2.13  1.00e+00
 28 GLU- HN     27 HIS+ HB3     2.90  1.00e+00
 28 GLU- HA     27 HIS+ HD2     3.73  1.00e+00
 28 GLU- HA     28 GLU- HN      2.90  1.00e+00
 29 ASP- HN     27 HIS+ HA      3.49  1.00e+00
 29 ASP- HN     28 GLU- HA      3.29  1.00e+00
 29 ASP- HB3    26 LEU  HA      2.88  1.00e+00
 29 ASP- HB2    26 LEU  HA      2.58  1.00e+00
 29 ASP- HB2    29 ASP- HN      2.27  1.00e+00
 30 GLY  HN     28 GLU- HA      3.96  1.00e+00
 30 GLY  HN     29 ASP- HB3     2.52  1.00e+00
 31 GLU- HN     26 LEU  HG      2.55  1.00e+00
 31 GLU- HN     27 HIS+ HA      3.88  1.00e+00
 31 GLU- HN     29 ASP- HN      3.02  1.00e+00
 31 GLU- HN     29 ASP- HB3     3.31  1.00e+00
 31 GLU- HN     30 GLY  HN      2.27  1.00e+00
 31 GLU- HB2    29 ASP- HB3     2.53  1.00e+00
 31 GLU- HB2    31 GLU- HN      2.25  1.00e+00
 31 GLU- HB2    31 GLU- HA      3.12  1.00e+00
 32 THR  HA     26 LEU  HG      3.58  1.00e+00
 32 THR  QG2    32 THR  HN      3.23  1.00e+00
 33 VAL  HA     33 VAL  HN      2.89  1.00e+00
 33 VAL  HB     33 VAL  HN      3.76  1.00e+00
 33 VAL  HB     33 VAL  HA      2.45  1.00e+00
 33 VAL  QG1    33 VAL  HN      3.80  1.00e+00
 33 VAL  QG2    33 VAL  HN      3.01  1.00e+00
 33 VAL  QG2    33 VAL  HA      2.99  1.00e+00
 34 GLY  HN     33 VAL  HA      1.98  1.00e+00
 34 GLY  HN     33 VAL  HB      2.58  1.00e+00
 34 GLY  HN     33 VAL  QG1     2.93  1.00e+00
 37 SER  HA     32 THR  HB      1.97  1.00e+00
 37 SER  HA     33 VAL  HN      3.39  1.00e+00
 37 SER  HA     37 SER  HN      2.20  1.00e+00
 38 TYR  CG     36 ASN  HB3     3.07  1.00e+00
 38 TYR  CG     38 TYR  HN      2.99  1.00e+00
 38 TYR  CG     38 TYR  HA      2.70  1.00e+00
 38 TYR  CG     38 TYR  HB3     1.91  1.00e+00
 38 TYR  CG     38 TYR  HB2     1.79  1.00e+00
 38 TYR  CZ     36 ASN  HB2     3.38  1.00e+00
 38 TYR  HN     32 THR  HA      3.23  1.00e+00
 38 TYR  HN     32 THR  HB      3.28  1.00e+00
 38 TYR  HN     32 THR  QG2     3.39  1.00e+00
 38 TYR  HN     33 VAL  HN      2.79  1.00e+00
 38 TYR  HN     37 SER  HA      2.02  1.00e+00
 38 TYR  HA     38 TYR  HN      3.39  1.00e+00
 38 TYR  HB3    38 TYR  HN      2.20  1.00e+00
 38 TYR  HB3    38 TYR  HA      2.65  1.00e+00
 38 TYR  HB2    38 TYR  HN      2.37  1.00e+00
 39 PRO  HA     38 TYR  CG      2.63  1.00e+00
 39 PRO  HA     38 TYR  HA      2.58  1.00e+00
 39 PRO  HA     38 TYR  HB3     2.32  1.00e+00
 39 PRO  HB2    39 PRO  HA      2.48  1.00e+00
 40 HIS+ HN     38 TYR  HA      3.68  1.00e+00
 40 HIS+ HN     39 PRO  HA      2.38  1.00e+00
 40 HIS+ HA     40 HIS+ HN      2.98  1.00e+00
 40 HIS+ HB3    40 HIS+ HA      3.02  1.00e+00
 40 HIS+ HB2    40 HIS+ HN      3.57  1.00e+00
 40 HIS+ HB2    40 HIS+ HA      2.25  1.00e+00
 41 LYS+ HN     40 HIS+ HA      2.09  1.00e+00
 41 LYS+ HN     40 HIS+ HB3     3.76  1.00e+00
 41 LYS+ HN     40 HIS+ HB2     2.61  1.00e+00
 42 TYR  CG     42 TYR  HA      2.84  1.00e+00
 42 TYR  CG     42 TYR  HB3     1.60  1.00e+00
 42 TYR  CG     42 TYR  HB2     1.55  1.00e+00
 42 TYR  HA     42 TYR  HN      2.57  1.00e+00
 42 TYR  HB3    42 TYR  HN      2.28  1.00e+00
 42 TYR  HB3    42 TYR  HA      2.16  1.00e+00
 42 TYR  HB2    42 TYR  HA      2.90  1.00e+00
 43 ASN  HN     42 TYR  CG      2.01  1.00e+00
 43 ASN  HN     42 TYR  HA      1.98  1.00e+00
 43 ASN  HB2    42 TYR  HN      2.49  1.00e+00
 43 ASN  HB2    43 ASN  HA      2.11  1.00e+00
 44 ASN  HN     43 ASN  HN      3.08  1.00e+00
 44 ASN  HA     44 ASN  HN      2.44  1.00e+00
 44 ASN  HB3    42 TYR  CG      3.78  1.00e+00
 44 ASN  HB3    44 ASN  HA      2.42  1.00e+00
 44 ASN  HB2    44 ASN  HN      3.74  1.00e+00
 44 ASN  HB2    44 ASN  HA      2.57  1.00e+00
 45 TYR  CG     45 TYR  HB3     1.81  1.00e+00
 45 TYR  CG     45 TYR  HB2     3.67  1.00e+00
 45 TYR  HN     44 ASN  HN      3.13  1.00e+00
 45 TYR  HN     44 ASN  HA      2.26  1.00e+00
 45 TYR  HB3    45 TYR  HA      2.69  1.00e+00
 45 TYR  HB2    45 TYR  HN      2.23  1.00e+00
 45 TYR  HB2    45 TYR  HA      2.95  1.00e+00
 46 GLU- HN     45 TYR  HN      2.45  1.00e+00
 46 GLU- HN     45 TYR  HA      3.30  1.00e+00
 46 GLU- HN     45 TYR  HB3     3.06  1.00e+00
 46 GLU- HN     45 TYR  HB2     2.83  1.00e+00
 46 GLU- HA     46 GLU- HN      2.87  1.00e+00
 46 GLU- HB3    46 GLU- HN      2.69  1.00e+00
 46 GLU- HB3    46 GLU- HA      2.42  1.00e+00
 46 GLU- HB2    46 GLU- HA      2.55  1.00e+00
 47 GLY  HN     44 ASN  HB2     3.42  1.00e+00
 47 GLY  HN     45 TYR  HA      3.36  1.00e+00
 47 GLY  HN     46 GLU- HN      2.76  1.00e+00
 47 GLY  HN     46 GLU- HB3     3.35  1.00e+00
 47 GLY  HN     46 GLU- HB2     2.67  1.00e+00
 48 PHE  CG     48 PHE  HB3     2.63  1.00e+00
 48 PHE  HN     47 GLY  HN      2.65  1.00e+00
 48 PHE  HB3    48 PHE  HN      3.36  1.00e+00
 48 PHE  HB2    48 PHE  HN      2.63  1.00e+00
 48 PHE  HB2    48 PHE  HA      3.53  1.00e+00
 48 PHE  HZ     46 GLU- HB2     2.18  1.00e+00
 49 ASP- HN     48 PHE  CG      3.41  1.00e+00
 49 ASP- HN     48 PHE  HA      2.65  1.00e+00
 49 ASP- HN     48 PHE  HB3     3.65  1.00e+00
 49 ASP- HB2    49 ASP- HN      2.97  1.00e+00
 49 ASP- HB2    49 ASP- HA      3.05  1.00e+00
 50 PHE  CG     44 ASN  HB3     3.89  1.00e+00
 50 PHE  CZ     42 TYR  CG      2.65  1.00e+00
 50 PHE  CZ     48 PHE  HB2     3.84  1.00e+00
 50 PHE  HN     49 ASP- HA      2.65  1.00e+00
 50 PHE  HA     50 PHE  HN      3.22  1.00e+00
 50 PHE  HZ     42 TYR  CG      2.78  1.00e+00
 50 PHE  HZ     42 TYR  CZ      1.73  1.00e+00
 50 PHE  HZ     48 PHE  HB3     2.87  1.00e+00
 50 PHE  HZ     48 PHE  HB2     3.17  1.00e+00
 51 SER  HN     50 PHE  CG      3.95  1.00e+00
 51 SER  HN     50 PHE  HA      2.37  1.00e+00
 52 VAL  HN     51 SER  HN      2.79  1.00e+00
 52 VAL  HN     51 SER  HA      3.34  1.00e+00
 52 VAL  HB     52 VAL  HN      3.34  1.00e+00
 52 VAL  QG1    52 VAL  HN      3.70  1.00e+00
 52 VAL  QG1    52 VAL  HA      3.23  1.00e+00
 52 VAL  QG2    52 VAL  HN      3.27  1.00e+00
 53 SER  HN     52 VAL  HA      2.33  1.00e+00
 53 SER  HN     52 VAL  HB      2.19  1.00e+00
 53 SER  HA     52 VAL  HA      3.46  1.00e+00
 54 SER  HA     54 SER  HN      2.18  1.00e+00
 54 SER  HB3    54 SER  HN      2.25  1.00e+00
 54 SER  HB3    54 SER  HA      2.19  1.00e+00
 54 SER  HB2    54 SER  HN      2.30  1.00e+00
 55 PRO  HA     54 SER  HN      2.52  1.00e+00
 55 PRO  HA     54 SER  HA      2.49  1.00e+00
 55 PRO  HA     54 SER  HB3     2.67  1.00e+00
 56 TYR  CG     42 TYR  CG      1.54  1.00e+00
 56 TYR  CG     56 TYR  HB2     1.30  1.00e+00
 56 TYR  CZ     54 SER  HA      2.71  1.00e+00
 56 TYR  HN     54 SER  HB3     3.84  1.00e+00
 56 TYR  HB3    56 TYR  HA      2.77  1.00e+00
 56 TYR  HB2    42 TYR  CG      2.36  1.00e+00
 56 TYR  HB2    42 TYR  HN      1.84  1.00e+00
 56 TYR  HB2    42 TYR  HB3     2.49  1.00e+00
 56 TYR  HB2    56 TYR  HN      2.99  1.00e+00
 56 TYR  HB2    56 TYR  HA      3.01  1.00e+00
 57 TYR  CG     57 TYR  HB3     1.58  1.00e+00
 57 TYR  CG     57 TYR  HB2     1.73  1.00e+00
 57 TYR  CZ     27 HIS+ HE1     3.34  1.00e+00
 57 TYR  HN     56 TYR  HA      2.17  1.00e+00
 57 TYR  HN     56 TYR  HB3     2.26  1.00e+00
 57 TYR  HA     41 LYS+ HA      2.42  1.00e+00
 57 TYR  HA     42 TYR  HN      2.76  1.00e+00
 58 GLU- HN     40 HIS+ HN      2.81  1.00e+00
 58 GLU- HN     57 TYR  HA      2.26  1.00e+00
 58 GLU- HA     58 GLU- HN      2.77  1.00e+00
 58 GLU- HB3    58 GLU- HN      3.00  1.00e+00
 58 GLU- HB2    58 GLU- HN      3.49  1.00e+00
 58 GLU- HB2    58 GLU- HA      2.37  1.00e+00
 58 GLU- QG     38 TYR  CZ      3.32  1.00e+00
 58 GLU- QG     40 HIS+ HD2     3.87  1.00e+00
 58 GLU- QG     42 TYR  HA      3.97  1.00e+00
 58 GLU- QG     58 GLU- HN      2.88  1.00e+00
 58 GLU- QG     58 GLU- HA      3.99  1.00e+00
 59 TRP  HN     58 GLU- HN      2.64  1.00e+00
 59 TRP  HN     58 GLU- HA      2.00  1.00e+00
 59 TRP  HA     38 TYR  CG      3.00  1.00e+00
 59 TRP  HA     58 GLU- HA      3.79  1.00e+00
 59 TRP  HA     59 TRP  HN      3.09  1.00e+00
 59 TRP  HB3    59 TRP  HN      2.19  1.00e+00
 59 TRP  HB2    39 PRO  HB3     2.20  1.00e+00
 59 TRP  HB2    59 TRP  HN      2.42  1.00e+00
 59 TRP  HB2    59 TRP  HA      2.39  1.00e+00
 59 TRP  HD1    19 ALA  QB      3.58  1.00e+00
 59 TRP  HD1    20 GLN  HA      3.00  1.00e+00
 59 TRP  HD1    59 TRP  HB3     2.75  1.00e+00
 59 TRP  HE1    19 ALA  HA      3.34  1.00e+00
 59 TRP  HE1    19 ALA  QB      3.90  1.00e+00
 59 TRP  HE1    22 ALA  QB      3.65  1.00e+00
 59 TRP  HE1    23 GLY  HN      3.47  1.00e+00
 59 TRP  HE1    59 TRP  HD1     2.49  1.00e+00
 59 TRP  HE3    33 VAL  QG2     3.96  1.00e+00
 59 TRP  HE3    38 TYR  HB3     2.21  1.00e+00
 59 TRP  HE3    39 PRO  HB2     2.21  1.00e+00
 59 TRP  HE3    59 TRP  HB2     2.74  1.00e+00
 59 TRP  HH2    22 ALA  QB      3.72  1.00e+00
 59 TRP  HH2    33 VAL  QG2     3.12  1.00e+00
 59 TRP  HZ2    22 ALA  QB      2.86  1.00e+00
 59 TRP  HZ2    33 VAL  QG2     3.34  1.00e+00
 59 TRP  HZ2    59 TRP  HE1     2.71  1.00e+00
 59 TRP  HZ3    33 VAL  QG1     1.74  1.00e+00
 59 TRP  HZ3    38 TYR  HB3     2.42  1.00e+00
 59 TRP  HZ3    39 PRO  HA      2.59  1.00e+00
 60 PRO  HB3    60 PRO  HA      2.62  1.00e+00
 61 ILE  HN     60 PRO  HA      1.93  1.00e+00
 61 ILE  HB     61 ILE  HA      2.06  1.00e+00
 61 ILE  QD1    16 VAL  HA      3.01  1.00e+00
 61 ILE  QG2    61 ILE  HA      2.90  1.00e+00
 61 ILE  QG2    61 ILE  QD1     3.40  1.00e+00
 62 LEU  HB3    62 LEU  HN      2.70  1.00e+00
 62 LEU  HB3    62 LEU  HA      2.69  1.00e+00
 62 LEU  HB2    62 LEU  HA      2.98  1.00e+00
 62 LEU  HG     62 LEU  HN      2.79  1.00e+00
 62 LEU  QD1    61 ILE  HN      2.90  1.00e+00
 62 LEU  QD2    60 PRO  HB2     3.94  1.00e+00
 62 LEU  QD2    62 LEU  HA      3.06  1.00e+00
 62 LEU  QD2    62 LEU  HB3     3.29  1.00e+00
 63 SER  HN     62 LEU  HA      2.17  1.00e+00
 63 SER  HN     62 LEU  HB3     3.08  1.00e+00
 63 SER  HN     62 LEU  HB2     3.50  1.00e+00
 63 SER  HN     62 LEU  QD2     3.67  1.00e+00
 63 SER  HA     63 SER  HN      2.65  1.00e+00
 64 SER  HN     63 SER  HN      3.10  1.00e+00
 65 GLY  HN     62 LEU  HB3     3.25  1.00e+00
 65 GLY  HN     64 SER  HA      3.43  1.00e+00
 66 ASP- HN     62 LEU  QD1     3.59  1.00e+00
 66 ASP- HN     65 GLY  HN      2.41  1.00e+00
 66 ASP- HB3    62 LEU  QD1     3.39  1.00e+00
 66 ASP- HB3    66 ASP- HA      2.41  1.00e+00
 66 ASP- HB2    62 LEU  QD1     2.63  1.00e+00
 66 ASP- HB2    66 ASP- HN      2.39  1.00e+00
 66 ASP- HB2    66 ASP- HA      2.77  1.00e+00
 67 VAL  HN     66 ASP- HA      2.88  1.00e+00
 67 VAL  HN     66 ASP- HB2     3.04  1.00e+00
 67 VAL  HB     67 VAL  HA      3.19  1.00e+00
 67 VAL  QG1    22 ALA  QB      3.53  1.00e+00
 67 VAL  QG1    59 TRP  HE1     3.89  1.00e+00
 67 VAL  QG1    59 TRP  HZ2     2.69  1.00e+00
 67 VAL  QG2    67 VAL  HA      2.81  1.00e+00
 68 TYR  HN     67 VAL  QG1     3.16  1.00e+00
 68 TYR  QB     59 TRP  HH2     3.35  1.00e+00
 68 TYR  QB     59 TRP  HZ2     2.42  1.00e+00
 68 TYR  QB     60 PRO  HB3     2.62  1.00e+00
 68 TYR  QB     68 TYR  HN      2.45  1.00e+00
 69 SER  HN     62 LEU  QD1     2.86  1.00e+00
 69 SER  HN     68 TYR  HN      3.49  1.00e+00
 69 SER  HN     68 TYR  QB      3.84  1.00e+00
 69 SER  HA     33 VAL  QG2     3.67  1.00e+00
 69 SER  HB3    69 SER  HA      2.40  1.00e+00
 70 GLY  HN     69 SER  HN      2.36  1.00e+00
 70 GLY  HN     69 SER  HA      2.63  1.00e+00
 73 PRO  HA     60 PRO  HB2     3.40  1.00e+00
 73 PRO  QG     73 PRO  HB3     3.01  1.00e+00
 74 GLY  HN     72 SER  HA      3.59  1.00e+00
 74 GLY  HN     73 PRO  QG      3.01  1.00e+00
 75 ALA  HA     74 GLY  HN      3.29  1.00e+00
 75 ALA  HA     75 ALA  HN      2.99  1.00e+00
 75 ALA  QB     75 ALA  HA      2.44  1.00e+00
 76 ASP- HA     76 ASP- HN      3.31  1.00e+00
 76 ASP- HB3    11 TYR  CZ      3.68  1.00e+00
 76 ASP- HB3    61 ILE  HA      1.85  1.00e+00
 76 ASP- HB3    76 ASP- HA      2.61  1.00e+00
 76 ASP- HB2    76 ASP- HN      2.76  1.00e+00
 76 ASP- HB2    76 ASP- HA      3.34  1.00e+00
 77 ARG+ HN     76 ASP- HA      2.60  1.00e+00
 77 ARG+ HN     76 ASP- HB3     3.14  1.00e+00
 77 ARG+ HA     59 TRP  HN      3.31  1.00e+00
 77 ARG+ HA     60 PRO  HB2     2.57  1.00e+00
 77 ARG+ HA     61 ILE  HN      2.45  1.00e+00
 77 ARG+ HA     61 ILE  QG2     3.44  1.00e+00
 77 ARG+ QB     77 ARG+ HN      3.43  1.00e+00
 77 ARG+ QB     77 ARG+ HA      2.33  1.00e+00
 78 VAL  HN     58 GLU- HA      2.81  1.00e+00
 78 VAL  HN     59 TRP  HN      2.75  1.00e+00
 78 VAL  HN     59 TRP  HB3     3.27  1.00e+00
 78 VAL  HN     61 ILE  QG2     3.67  1.00e+00
 78 VAL  HN     77 ARG+ HA      2.03  1.00e+00
 78 VAL  HA     78 VAL  HN      3.25  1.00e+00
 78 VAL  HB     16 VAL  QG1     2.56  1.00e+00
 78 VAL  HB     78 VAL  HN      2.61  1.00e+00
 78 VAL  HB     78 VAL  HA      2.11  1.00e+00
 79 VAL  HN     78 VAL  HB      3.05  1.00e+00
 79 VAL  HA     58 GLU- HA      2.30  1.00e+00
 79 VAL  HA     58 GLU- HB3     2.26  1.00e+00
 79 VAL  HA     59 TRP  HN      1.74  1.00e+00
 79 VAL  HA     78 VAL  HA      3.97  1.00e+00
 79 VAL  HA     79 VAL  HN      2.50  1.00e+00
 79 VAL  QG1    42 TYR  CZ      3.43  1.00e+00
 79 VAL  QG1    42 TYR  HB3     2.84  1.00e+00
 79 VAL  QG1    50 PHE  HZ      3.76  1.00e+00
 79 VAL  QG1    56 TYR  CG      3.89  1.00e+00
 79 VAL  QG1    56 TYR  HA      3.92  1.00e+00
 79 VAL  QG1    56 TYR  HB3     2.85  1.00e+00
 79 VAL  QG1    57 TYR  HN      3.46  1.00e+00
 79 VAL  QG1    58 GLU- HA      3.77  1.00e+00
 79 VAL  QG1    79 VAL  HN      2.46  1.00e+00
 79 VAL  QG1    79 VAL  HA      2.76  1.00e+00
 79 VAL  QG2    42 TYR  HB2     3.26  1.00e+00
 79 VAL  QG2    58 GLU- HN      3.57  1.00e+00
 79 VAL  QG2    58 GLU- HA      3.40  1.00e+00
 79 VAL  QG2    58 GLU- HB2     3.24  1.00e+00
 79 VAL  QG2    59 TRP  HN      2.97  1.00e+00
 79 VAL  QG2    78 VAL  HN      2.88  1.00e+00
 79 VAL  QG2    79 VAL  HA      2.53  1.00e+00
 80 PHE  CG     20 GLN  HA      2.96  1.00e+00
 80 PHE  CG     24 TYR  HB3     3.59  1.00e+00
 80 PHE  CG     57 TYR  HN      0.91  1.00e+00
 80 PHE  CG     57 TYR  HB3     3.05  1.00e+00
 80 PHE  CG     79 VAL  HA      3.99  1.00e+00
 80 PHE  CG     80 PHE  HN      2.98  1.00e+00
 80 PHE  CG     80 PHE  HB3     2.04  1.00e+00
 80 PHE  CG     80 PHE  HB2     1.93  1.00e+00
 80 PHE  CZ     24 TYR  HN      2.48  1.00e+00
 80 PHE  CZ     80 PHE  HN      2.50  1.00e+00
 80 PHE  HN     57 TYR  HN      2.61  1.00e+00
 80 PHE  HN     58 GLU- HA      2.22  1.00e+00
 80 PHE  HN     79 VAL  HA      1.97  1.00e+00
 80 PHE  HN     79 VAL  QG1     3.54  1.00e+00
 80 PHE  HA     79 VAL  HA      3.19  1.00e+00
 80 PHE  HA     80 PHE  HN      2.93  1.00e+00
 80 PHE  HB3    80 PHE  HN      3.60  1.00e+00
 80 PHE  HB3    80 PHE  HA      2.34  1.00e+00
 80 PHE  HB2    20 GLN  HB3     3.58  1.00e+00
 81 ASN  HN     80 PHE  HA      2.40  1.00e+00
 81 ASN  HN     80 PHE  HB3     2.51  1.00e+00
 81 ASN  HN     80 PHE  HB2     2.46  1.00e+00
 81 ASN  HA     56 TYR  HA      2.66  1.00e+00
 81 ASN  HA     81 ASN  HN      3.23  1.00e+00
 81 ASN  HB3    81 ASN  HA      2.63  1.00e+00
 81 ASN  HB2    56 TYR  HA      3.78  1.00e+00
 81 ASN  HB2    81 ASN  HA      2.66  1.00e+00
 82 GLU- HN     81 ASN  HA      2.69  1.00e+00
 83 ASN  HN     81 ASN  HB3     3.25  1.00e+00
 83 ASN  HN     82 GLU- HN      2.25  1.00e+00
 83 ASN  HN     82 GLU- HA      2.99  1.00e+00
 83 ASN  HA     83 ASN  HN      3.28  1.00e+00
 83 ASN  HB3    83 ASN  HN      2.03  1.00e+00
 83 ASN  HB3    83 ASN  HA      2.25  1.00e+00
 83 ASN  HB2    83 ASN  HN      2.44  1.00e+00
 83 ASN  HB2    83 ASN  HA      1.88  1.00e+00
 84 ASN  HN     80 PHE  CZ      3.67  1.00e+00
 84 ASN  HN     81 ASN  HN      3.61  1.00e+00
 84 ASN  HN     83 ASN  HN      2.16  1.00e+00
 84 ASN  HN     83 ASN  HA      3.02  1.00e+00
 84 ASN  HA     80 PHE  CG      3.94  1.00e+00
 84 ASN  HA     80 PHE  HB2     2.71  1.00e+00
 84 ASN  HA     84 ASN  HN      2.01  1.00e+00
 84 ASN  HB3    84 ASN  HA      2.54  1.00e+00
 85 GLN  HN     80 PHE  HB3     3.76  1.00e+00
 85 GLN  HN     83 ASN  HN      2.73  1.00e+00
 85 GLN  HN     83 ASN  HB2     1.65  1.00e+00
 85 GLN  HN     84 ASN  HA      2.81  1.00e+00
 85 GLN  QB     52 VAL  QG1     3.35  1.00e+00
 85 GLN  QB     85 GLN  HN      2.81  1.00e+00
 85 GLN  QB     85 GLN  HA      2.54  1.00e+00
 86 LEU  HA     80 PHE  HA      2.56  1.00e+00
 86 LEU  HA     80 PHE  HB2     2.09  1.00e+00
 86 LEU  HG     86 LEU  QB      2.24  1.00e+00
 86 LEU  QB     85 GLN  HA      3.14  1.00e+00
 86 LEU  QB     86 LEU  HN      2.00  1.00e+00
 86 LEU  QB     86 LEU  HA      2.12  1.00e+00
 87 ALA  HN     79 VAL  HN      2.74  1.00e+00
 87 ALA  HN     79 VAL  HB      2.13  1.00e+00
 87 ALA  HN     80 PHE  HA      2.40  1.00e+00
 87 ALA  HN     80 PHE  HB3     2.35  1.00e+00
 87 ALA  HN     80 PHE  HB2     2.89  1.00e+00
 87 ALA  HN     86 LEU  HA      1.89  1.00e+00
 87 ALA  HA     87 ALA  HN      2.55  1.00e+00
 87 ALA  QB     50 PHE  CG      3.21  1.00e+00
 87 ALA  QB     79 VAL  HN      3.08  1.00e+00
 87 ALA  QB     86 LEU  HA      2.62  1.00e+00
 87 ALA  QB     87 ALA  HN      2.44  1.00e+00
 87 ALA  QB     87 ALA  HA      2.24  1.00e+00
 88 GLY  HN     79 VAL  HN      3.07  1.00e+00
 88 GLY  HN     79 VAL  HB      2.16  1.00e+00
 88 GLY  HN     86 LEU  HG      2.52  1.00e+00
 88 GLY  HN     87 ALA  HN      2.25  1.00e+00
 88 GLY  HN     87 ALA  QB      3.63  1.00e+00
 89 VAL  HN      4 TYR  CZ      3.01  1.00e+00
 89 VAL  HN     88 GLY  HN      3.56  1.00e+00
 89 VAL  HB      4 TYR  CG      1.76  1.00e+00
 89 VAL  HB      4 TYR  CZ      3.89  1.00e+00
 89 VAL  HB     89 VAL  HN      2.38  1.00e+00
 89 VAL  QG2    89 VAL  HN      3.31  1.00e+00
 89 VAL  QG2    89 VAL  HA      3.16  1.00e+00
 90 ILE  HN     77 ARG+ HN      3.22  1.00e+00
 90 ILE  HN     78 VAL  HA      3.80  1.00e+00
 90 ILE  HN     89 VAL  HN      3.99  1.00e+00
 90 ILE  HN     89 VAL  HA      2.83  1.00e+00
 90 ILE  HN     89 VAL  QG1     3.32  1.00e+00
 90 ILE  HN     89 VAL  QG2     3.73  1.00e+00
 90 ILE  HB     90 ILE  HN      2.66  1.00e+00
 90 ILE  QD1    42 TYR  CZ      2.68  1.00e+00
 90 ILE  QD1    48 PHE  HZ      3.85  1.00e+00
 90 ILE  QD1    50 PHE  HZ      3.52  1.00e+00
 90 ILE  QD1    90 ILE  HB      2.55  1.00e+00
 90 ILE  QG2    48 PHE  CZ      3.47  1.00e+00
 90 ILE  QG2    48 PHE  HZ      3.47  1.00e+00
 90 ILE  QG2    50 PHE  HZ      2.94  1.00e+00
 90 ILE  QG2    90 ILE  HN      2.71  1.00e+00
 90 ILE  QG2    90 ILE  HA      2.99  1.00e+00
 90 ILE  QG2    90 ILE  QD1     3.43  1.00e+00
 91 THR  HN     90 ILE  HA      2.35  1.00e+00
 91 THR  HN     90 ILE  HB      2.11  1.00e+00
 91 THR  HN     90 ILE  QG2     3.79  1.00e+00
 91 THR  HA     76 ASP- HA      2.70  1.00e+00
 91 THR  HA     77 ARG+ HN      3.54  1.00e+00
 91 THR  HA     91 THR  HN      3.28  1.00e+00
 91 THR  HB      6 CYSS HB3     2.88  1.00e+00
 91 THR  HB      6 CYSS HB2     3.03  1.00e+00
 91 THR  HB     91 THR  HN      3.27  1.00e+00
 91 THR  HB     91 THR  HA      2.92  1.00e+00
 91 THR  QG2     6 CYSS HA      3.35  1.00e+00
 91 THR  QG2     6 CYSS HB3     3.82  1.00e+00
 91 THR  QG2    91 THR  HN      3.15  1.00e+00
 92 HIS+ HN     76 ASP- HA      3.07  1.00e+00
 92 HIS+ HN     91 THR  HA      2.65  1.00e+00
 92 HIS+ HN     91 THR  HB      2.83  1.00e+00
 92 HIS+ HN     91 THR  QG2     2.86  1.00e+00
 92 HIS+ HB3    92 HIS+ HN      2.47  1.00e+00
 92 HIS+ HB3    92 HIS+ HA      3.08  1.00e+00
 92 HIS+ HD2    92 HIS+ HB3     3.41  1.00e+00
 93 THR  HN     75 ALA  QB      3.82  1.00e+00
 93 THR  HN     91 THR  HA      3.84  1.00e+00
 93 THR  HN     91 THR  QG2     2.64  1.00e+00
 93 THR  HN     92 HIS+ HA      2.83  1.00e+00
 93 THR  HN     92 HIS+ HB3     3.53  1.00e+00
 93 THR  HA     93 THR  HN      3.31  1.00e+00
 93 THR  QG2    93 THR  HA      3.48  1.00e+00
 94 GLY  HN     93 THR  HN      3.35  1.00e+00
 95 ALA  HN     93 THR  HA      3.67  1.00e+00
 95 ALA  HN     94 GLY  HN      2.84  1.00e+00
 95 ALA  QB     92 HIS+ HA      2.79  1.00e+00
 95 ALA  QB     95 ALA  HN      3.14  1.00e+00
 95 ALA  QB     95 ALA  HA      2.87  1.00e+00
 96 SER  HN     95 ALA  HA      2.65  1.00e+00
 96 SER  HN     95 ALA  QB      3.46  1.00e+00
 99 ASN  HN     97 GLY  HN      3.49  1.00e+00
 99 ASN  HA     99 ASN  HN      2.60  1.00e+00
100 PHE  CG     91 THR  HN      2.41  1.00e+00
100 PHE  CG     92 HIS+ HA      3.11  1.00e+00
100 PHE  CG    100 PHE  HA      2.96  1.00e+00
100 PHE  CG    100 PHE  HB2     0.99  1.00e+00
100 PHE  CZ     91 THR  HA      3.39  1.00e+00
100 PHE  HA     91 THR  HN      3.26  1.00e+00
100 PHE  HA     92 HIS+ HA      2.54  1.00e+00
100 PHE  HA     95 ALA  QB      3.34  1.00e+00
100 PHE  HB3    48 PHE  CZ      2.30  1.00e+00
100 PHE  HB3    90 ILE  HB      2.36  1.00e+00
100 PHE  HB3    90 ILE  QD1     3.51  1.00e+00
100 PHE  HB2    48 PHE  CZ      0.67  1.00e+00
100 PHE  HB2    48 PHE  HZ      2.21  1.00e+00
100 PHE  HB2    90 ILE  HB      2.69  1.00e+00
100 PHE  HB2    90 ILE  QD1     2.31  1.00e+00
100 PHE  HB2    91 THR  HN      3.16  1.00e+00
100 PHE  HB2   100 PHE  HN      2.17  1.00e+00
101 VAL  HN     48 PHE  CZ      3.10  1.00e+00
101 VAL  HN     48 PHE  HZ      2.45  1.00e+00
101 VAL  HN     90 ILE  QD1     3.81  1.00e+00
101 VAL  HN    100 PHE  CG      2.57  1.00e+00
101 VAL  HA     48 PHE  HZ      2.01  1.00e+00
101 VAL  HA    101 VAL  HN      2.31  1.00e+00
101 VAL  HB     48 PHE  HZ      3.56  1.00e+00
101 VAL  HB    101 VAL  HN      3.90  1.00e+00
101 VAL  HB    101 VAL  HA      2.14  1.00e+00
101 VAL  QG2    91 THR  QG2     3.64  1.00e+00
101 VAL  QG2   101 VAL  HN      3.02  1.00e+00
101 VAL  QG2   101 VAL  HA      3.05  1.00e+00
102 GLU- HN     48 PHE  HZ      2.38  1.00e+00
102 GLU- HN    101 VAL  HN      2.93  1.00e+00
102 GLU- HN    101 VAL  HA      1.92  1.00e+00
102 GLU- HN    101 VAL  HB      2.17  1.00e+00
102 GLU- HA     48 PHE  CZ      3.37  1.00e+00
102 GLU- HA     89 VAL  HN      1.91  1.00e+00
102 GLU- HA     90 ILE  HA      2.13  1.00e+00
102 GLU- HA     90 ILE  QG2     2.93  1.00e+00
102 GLU- HA     91 THR  HN      2.67  1.00e+00
102 GLU- HA     91 THR  QG2     3.26  1.00e+00
102 GLU- HA    101 VAL  HN      2.68  1.00e+00
102 GLU- HA    102 GLU- HN      2.17  1.00e+00
103 CYSS HN     90 ILE  HA      2.45  1.00e+00
103 CYSS HN     90 ILE  HB      3.20  1.00e+00
103 CYSS HN     91 THR  HN      2.88  1.00e+00
103 CYSS HN    102 GLU- HA      1.81  1.00e+00
103 CYSS HA      6 CYSS HA      2.38  1.00e+00
103 CYSS HA    103 CYSS HN      2.68  1.00e+00
103 CYSS HB3   103 CYSS HN      2.41  1.00e+00
103 CYSS HB2     5 THR  HN      3.16  1.00e+00
103 CYSS HB2     6 CYSS HA      2.67  1.00e+00
103 CYSS HB2    89 VAL  HB      3.02  1.00e+00
103 CYSS HB2   103 CYSS HN      2.63  1.00e+00
103 CYSS HB2   103 CYSS HA      2.54  1.00e+00
104 THR  HA    103 CYSS HA      3.76  1.00e+00
104 THR  HA    104 THR  HN      2.52  1.00e+00
104 THR  QG2   104 THR  HN      3.81  1.00e+00
104 THR  QG2   104 THR  HA      3.35  1.00e+00

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    H    ALA   1           HN       ALA   1  -8.672 -14.899 -14.899
    2    HA   ALA   1           HA       ALA   1  -8.185 -15.947 -15.947
    3   1HB   ALA   1          2HB       ALA   1 -10.428 -14.602 -14.602
    4   2HB   ALA   1          3HB       ALA   1  -9.200 -13.413 -13.413
    5   3HB   ALA   1          1HB       ALA   1  -9.164 -15.063 -15.063
    6    H    CYS   2           HN       CYS   2  -6.477 -15.274 -15.274
    7    HA   CYS   2           HA       CYS   2  -5.351 -12.915 -12.915
    8   1HB   CYS   2          2HB       CYS   2  -3.138 -14.561 -14.561
    9   2HB   CYS   2          3HB       CYS   2  -3.862 -14.191 -14.191
   10    H    ASP   3           HN       ASP   3  -4.522 -11.288 -11.288
   11    HA   ASP   3           HA       ASP   3  -3.731 -12.076 -12.076
   12   1HB   ASP   3          2HB       ASP   3  -5.543  -9.911  -9.911
   13   2HB   ASP   3          3HB       ASP   3  -4.413  -9.418  -9.418
   14    H    TYR   4           HN       TYR   4  -2.908 -10.740 -10.740
   15    HA   TYR   4           HA       TYR   4  -0.533  -9.459  -9.459
   16   1HB   TYR   4          2HB       TYR   4  -2.326  -8.635  -8.635
   17   2HB   TYR   4          3HB       TYR   4  -0.825  -7.825  -7.825
   18    HD1  TYR   4           HD2      TYR   4  -0.657  -6.763  -6.763
   19    HD2  TYR   4           HD1      TYR   4  -4.349  -7.912  -7.912
   20    HE1  TYR   4           HE2      TYR   4  -1.924  -5.208  -5.208
   21    HE2  TYR   4           HE1      TYR   4  -5.604  -6.353  -6.353
   22    HH   TYR   4           HH       TYR   4  -5.248  -4.465  -4.465
   23    H    THR   5           HN       THR   5   0.692 -11.388 -11.388
   24    HA   THR   5           HA       THR   5   0.873 -12.180 -12.180
   25    HB   THR   5           HB       THR   5   1.633 -13.476 -13.476
   26    HG1  THR   5           HG1      THR   5  -0.009 -14.216 -14.216
   27   1HG2  THR   5          1HG2      THR   5   2.892 -13.899 -13.899
   28   2HG2  THR   5          2HG2      THR   5   1.785 -15.263 -15.263
   29   3HG2  THR   5          3HG2      THR   5   3.059 -14.888 -14.888
   30    H    CYS   6           HN       CYS   6   2.276 -11.011 -11.011
   31    HA   CYS   6           HA       CYS   6   4.555  -9.864  -9.864
   32   1HB   CYS   6          2HB       CYS   6   3.343  -9.672  -9.672
   33   2HB   CYS   6          3HB       CYS   6   5.013  -9.193  -9.193
   34    H    GLY   7           HN       GLY   7   5.148 -12.285 -12.285
   35   1HA   GLY   7          1HA       GLY   7   6.707 -13.894 -13.894
   36   2HA   GLY   7          2HA       GLY   7   7.357 -13.035 -13.035
   37    H    SER   8           HN       SER   8   5.406 -13.015 -13.015
   38    HA   SER   8           HA       SER   8   4.595 -15.803 -15.803
   39   1HB   SER   8          2HB       SER   8   5.413 -15.997 -15.997
   40   2HB   SER   8          3HB       SER   8   6.703 -15.169 -15.169
   41    HG   SER   8           HG       SER   8   5.378 -13.138 -13.138
   42    H    ASN   9           HN       ASN   9   2.740 -14.160 -14.160
   43    HA   ASN   9           HA       ASN   9   1.037 -13.715 -13.715
   44   1HB   ASN   9          2HB       ASN   9   1.365 -11.662 -11.662
   45   2HB   ASN   9          3HB       ASN   9   0.291 -11.511 -11.511
   46   1HD2  ASN   9          2HD2      ASN   9   4.404 -11.260 -11.260
   47   2HD2  ASN   9          1HD2      ASN   9   3.709 -12.247 -12.247
   48    H    CYS  10           HN       CYS  10  -1.254 -12.793 -12.793
   49    HA   CYS  10           HA       CYS  10  -1.744 -13.783 -13.783
   50   1HB   CYS  10          2HB       CYS  10  -1.437 -15.920 -15.920
   51   2HB   CYS  10          3HB       CYS  10  -3.142 -15.612 -15.612
   52    H    TYR  11           HN       TYR  11  -2.382 -11.397 -11.397
   53    HA   TYR  11           HA       TYR  11  -5.204 -11.541 -11.541
   54   1HB   TYR  11          2HB       TYR  11  -4.420  -9.107  -9.107
   55   2HB   TYR  11          3HB       TYR  11  -4.186 -10.538 -10.538
   56    HD1  TYR  11           HD2      TYR  11  -2.237  -9.419  -9.419
   57    HD2  TYR  11           HD1      TYR  11  -2.245 -10.086 -10.086
   58    HE1  TYR  11           HE2      TYR  11   0.262  -8.959  -8.959
   59    HE2  TYR  11           HE1      TYR  11   0.255  -9.623  -9.623
   60    HH   TYR  11           HH       TYR  11   1.858  -8.052  -8.052
   61    H    SER  12           HN       SER  12  -6.103 -11.300 -11.300
   62    HA   SER  12           HA       SER  12  -5.027  -9.629  -9.629
   63   1HB   SER  12          2HB       SER  12  -6.497 -11.059 -11.059
   64   2HB   SER  12          3HB       SER  12  -7.517 -11.182 -11.182
   65    HG   SER  12           HG       SER  12  -8.729 -10.110 -10.110
   66    H    SER  13           HN       SER  13  -6.756  -7.836  -7.836
   67    HA   SER  13           HA       SER  13  -6.497  -5.651  -5.651
   68   1HB   SER  13          2HB       SER  13  -8.668  -4.937  -4.937
   69   2HB   SER  13          3HB       SER  13  -7.031  -4.976  -4.976
   70    HG   SER  13           HG       SER  13  -9.192  -6.509  -6.509
   71    H    SER  14           HN       SER  14  -8.710  -8.292  -8.292
   72    HA   SER  14           HA       SER  14 -10.733  -6.774  -6.774
   73   1HB   SER  14          2HB       SER  14 -11.258  -8.849  -8.849
   74   2HB   SER  14          3HB       SER  14 -10.258  -9.784  -9.784
   75    HG   SER  14           HG       SER  14 -12.667  -9.728  -9.728
   76    H    ASP  15           HN       ASP  15  -7.789  -8.564  -8.564
   77    HA   ASP  15           HA       ASP  15  -8.475  -8.682  -8.682
   78   1HB   ASP  15          2HB       ASP  15  -6.185  -9.507  -9.507
   79   2HB   ASP  15          3HB       ASP  15  -5.776  -9.166  -9.166
   80    H    VAL  16           HN       VAL  16  -6.335  -6.800  -6.800
   81    HA   VAL  16           HA       VAL  16  -4.902  -5.357  -5.357
   82    HB   VAL  16           HB       VAL  16  -5.922  -4.627  -4.627
   83   1HG1  VAL  16          3HG1      VAL  16  -4.581  -2.978  -2.978
   84   2HG1  VAL  16          1HG1      VAL  16  -3.538  -3.223  -3.223
   85   3HG1  VAL  16          2HG1      VAL  16  -5.174  -2.552  -2.552
   86   1HG2  VAL  16          3HG2      VAL  16  -4.141  -6.586  -6.586
   87   2HG2  VAL  16          1HG2      VAL  16  -4.175  -5.763  -5.763
   88   3HG2  VAL  16          2HG2      VAL  16  -3.061  -5.205  -5.205
   89    H    SER  17           HN       SER  17  -8.102  -4.576  -4.576
   90    HA   SER  17           HA       SER  17  -8.626  -2.188  -2.188
   91   1HB   SER  17          2HB       SER  17 -10.200  -3.819  -3.819
   92   2HB   SER  17          3HB       SER  17 -10.604  -4.475  -4.475
   93    HG   SER  17           HG       SER  17 -11.721  -2.676  -2.676
   94    H    THR  18           HN       THR  18  -9.129  -5.194  -5.194
   95    HA   THR  18           HA       THR  18  -9.959  -4.024  -4.024
   96    HB   THR  18           HB       THR  18  -8.459  -6.524  -6.524
   97    HG1  THR  18           HG1      THR  18 -10.686  -6.761  -6.761
   98   1HG2  THR  18          2HG2      THR  18  -7.501  -5.787  -5.787
   99   2HG2  THR  18          3HG2      THR  18  -9.167  -5.813  -5.813
  100   3HG2  THR  18          1HG2      THR  18  -8.411  -7.316  -7.316
  101    H    ALA  19           HN       ALA  19  -6.539  -4.585  -4.585
  102    HA   ALA  19           HA       ALA  19  -5.405  -3.491  -3.491
  103   1HB   ALA  19          1HB       ALA  19  -4.455  -4.871  -4.871
  104   2HB   ALA  19          2HB       ALA  19  -4.065  -3.242  -3.242
  105   3HB   ALA  19          3HB       ALA  19  -3.405  -3.797  -3.797
  106    H    GLN  20           HN       GLN  20  -6.476  -2.039  -2.039
  107    HA   GLN  20           HA       GLN  20  -5.393   0.459   0.459
  108   1HB   GLN  20          2HB       GLN  20  -8.007  -0.042  -0.042
  109   2HB   GLN  20          3HB       GLN  20  -6.817   1.205   1.205
  110   1HG   GLN  20          2HG       GLN  20  -5.233  -0.367  -0.367
  111   2HG   GLN  20          3HG       GLN  20  -6.080  -1.739  -1.739
  112   1HE2  GLN  20          2HE2      GLN  20  -8.148   0.213   0.213
  113   2HE2  GLN  20          1HE2      GLN  20  -7.487   1.055   1.055
  114    H    ALA  21           HN       ALA  21  -8.796  -0.706  -0.706
  115    HA   ALA  21           HA       ALA  21  -9.990   1.438   1.438
  116   1HB   ALA  21          3HB       ALA  21 -10.290  -1.374  -1.374
  117   2HB   ALA  21          1HB       ALA  21 -10.456  -0.744  -0.744
  118   3HB   ALA  21          2HB       ALA  21 -11.507  -0.126  -0.126
  119    H    ALA  22           HN       ALA  22  -7.338  -0.374  -0.374
  120    HA   ALA  22           HA       ALA  22  -7.594   0.940   0.940
  121   1HB   ALA  22          1HB       ALA  22  -6.492  -1.318  -1.318
  122   2HB   ALA  22          2HB       ALA  22  -5.105  -0.369  -0.369
  123   3HB   ALA  22          3HB       ALA  22  -5.612  -0.246  -0.246
  124    H    GLY  23           HN       GLY  23  -5.245   1.259   1.259
  125   1HA   GLY  23          1HA       GLY  23  -3.835   3.435   3.435
  126   2HA   GLY  23          2HA       GLY  23  -4.046   3.017   3.017
  127    H    TYR  24           HN       TYR  24  -6.870   3.317   3.317
  128    HA   TYR  24           HA       TYR  24  -7.038   6.083   6.083
  129   1HB   TYR  24          2HB       TYR  24  -8.295   3.799   3.799
  130   2HB   TYR  24          3HB       TYR  24  -9.448   4.264   4.264
  131    HD1  TYR  24           HD2      TYR  24  -7.731   5.540   5.540
  132    HD2  TYR  24           HD1      TYR  24 -11.109   5.869   5.869
  133    HE1  TYR  24           HE2      TYR  24  -8.843   7.141   7.141
  134    HE2  TYR  24           HE1      TYR  24 -12.210   7.469   7.469
  135    HH   TYR  24           HH       TYR  24 -12.137   8.022   8.022
  136    H    LYS  25           HN       LYS  25  -9.015   4.009   4.009
  137    HA   LYS  25           HA       LYS  25 -10.361   5.898   5.898
  138   1HB   LYS  25          2HB       LYS  25 -10.559   3.484   3.484
  139   2HB   LYS  25          3HB       LYS  25  -9.018   3.473   3.473
  140   1HG   LYS  25          2HG       LYS  25 -10.709   3.592   3.592
  141   2HG   LYS  25          3HG       LYS  25  -9.975   5.183   5.183
  142   1HD   LYS  25          2HD       LYS  25 -11.838   6.054   6.054
  143   2HD   LYS  25          3HD       LYS  25 -12.525   4.452   4.452
  144   1HE   LYS  25          2HE       LYS  25 -12.095   5.675   5.675
  145   2HE   LYS  25          3HE       LYS  25 -13.538   6.025   6.025
  146   1HZ   LYS  25          1HZ       LYS  25 -12.693   3.263   3.263
  147   2HZ   LYS  25          2HZ       LYS  25 -13.569   4.056   4.056
  148   3HZ   LYS  25          3HZ       LYS  25 -14.180   3.826   3.826
  149    H    LEU  26           HN       LEU  26  -7.080   4.749   4.749
  150    HA   LEU  26           HA       LEU  26  -6.763   6.723   6.723
  151   1HB   LEU  26          2HB       LEU  26  -5.453   4.725   4.725
  152   2HB   LEU  26          3HB       LEU  26  -4.779   5.089   5.089
  153    HG   LEU  26           HG       LEU  26  -4.004   7.299   7.299
  154   1HD1  LEU  26          2HD1      LEU  26  -4.955   6.308   6.308
  155   2HD1  LEU  26          3HD1      LEU  26  -3.763   4.994   4.994
  156   3HD1  LEU  26          1HD1      LEU  26  -3.215   6.673   6.673
  157   1HD2  LEU  26          3HD2      LEU  26  -2.782   4.841   4.841
  158   2HD2  LEU  26          1HD2      LEU  26  -2.209   6.524   6.524
  159   3HD2  LEU  26          2HD2      LEU  26  -1.896   5.545   5.545
  160    H    HIS  27           HN       HIS  27  -6.203   6.716   6.716
  161    HA   HIS  27           HA       HIS  27  -4.711   9.094   9.094
  162   1HB   HIS  27          2HB       HIS  27  -4.621   7.536   7.536
  163   2HB   HIS  27          3HB       HIS  27  -6.348   7.663   7.663
  164    HD1  HIS  27           HD1      HIS  27  -3.436  10.179  10.179
  165    HD2  HIS  27           HD2      HIS  27  -6.859   9.274   9.274
  166    HE1  HIS  27           HE1      HIS  27  -3.513  11.882  11.882
  167    HE2  HIS  27           HE2      HIS  27  -5.607  11.242  11.242
  168    H    GLU  28           HN       GLU  28  -8.227   8.380   8.380
  169    HA   GLU  28           HA       GLU  28  -8.964  10.976  10.976
  170   1HB   GLU  28          2HB       GLU  28 -11.037   9.547   9.547
  171   2HB   GLU  28          3HB       GLU  28 -11.001  10.015  10.015
  172   1HG   GLU  28          2HG       GLU  28  -9.515   8.015   8.015
  173   2HG   GLU  28          3HG       GLU  28  -9.697   7.526   7.526
  174    H    ASP  29           HN       ASP  29  -8.082   9.375   9.375
  175    HA   ASP  29           HA       ASP  29  -9.325  11.415  11.415
  176   1HB   ASP  29          2HB       ASP  29  -7.758   8.885   8.885
  177   2HB   ASP  29          3HB       ASP  29  -7.852  10.078  10.078
  178    H    GLY  30           HN       GLY  30  -6.357  10.794  10.794
  179   1HA   GLY  30          1HA       GLY  30  -4.516  12.091  12.091
  180   2HA   GLY  30          2HA       GLY  30  -5.163  13.224  13.224
  181    H    GLU  31           HN       GLU  31  -5.017   9.807   9.807
  182    HA   GLU  31           HA       GLU  31  -2.944  10.518  10.518
  183   1HB   GLU  31          2HB       GLU  31  -5.013   8.294   8.294
  184   2HB   GLU  31          3HB       GLU  31  -3.679   8.257   8.257
  185   1HG   GLU  31          2HG       GLU  31  -5.582  10.629  10.629
  186   2HG   GLU  31          3HG       GLU  31  -5.849   9.305   9.305
  187    H    THR  32           HN       THR  32  -1.584   8.326   8.326
  188    HA   THR  32           HA       THR  32  -0.746   7.101   7.101
  189    HB   THR  32           HB       THR  32   1.617   7.430   7.430
  190    HG1  THR  32           HG1      THR  32   0.272   9.077   9.077
  191   1HG2  THR  32          2HG2      THR  32  -0.223   9.637   9.637
  192   2HG2  THR  32          3HG2      THR  32   1.108  10.181  10.181
  193   3HG2  THR  32          1HG2      THR  32   1.467   9.402   9.402
  194    H    VAL  33           HN       VAL  33   0.981   5.255   5.255
  195    HA   VAL  33           HA       VAL  33  -0.114   3.845   3.845
  196    HB   VAL  33           HB       VAL  33  -0.500   1.872   1.872
  197   1HG1  VAL  33          2HG1      VAL  33  -2.007   4.051   4.051
  198   2HG1  VAL  33          3HG1      VAL  33  -1.512   3.700   3.700
  199   3HG1  VAL  33          1HG1      VAL  33  -2.364   2.462   2.462
  200   1HG2  VAL  33          3HG2      VAL  33   1.548   1.958   1.958
  201   2HG2  VAL  33          1HG2      VAL  33   0.102   1.491   1.491
  202   3HG2  VAL  33          2HG2      VAL  33   0.751   3.144   3.144
  203    H    GLY  34           HN       GLY  34   1.494   3.137   3.137
  204   1HA   GLY  34          1HA       GLY  34   3.494   2.162   2.162
  205   2HA   GLY  34          2HA       GLY  34   4.001   2.230   2.230
  206    H    SER  35           HN       SER  35   6.074   3.124   3.124
  207    HA   SER  35           HA       SER  35   6.037   5.692   5.692
  208   1HB   SER  35          2HB       SER  35   8.464   5.443   5.443
  209   2HB   SER  35          3HB       SER  35   7.697   3.971   3.971
  210    HG   SER  35           HG       SER  35   8.585   4.284   4.284
  211    H    ASN  36           HN       ASN  36   5.839   4.368   4.368
  212    HA   ASN  36           HA       ASN  36   7.422   6.357   6.357
  213   1HB   ASN  36          2HB       ASN  36   5.919   3.922   3.922
  214   2HB   ASN  36          3HB       ASN  36   5.720   5.204   5.204
  215   1HD2  ASN  36          2HD2      ASN  36   8.618   3.417   3.417
  216   2HD2  ASN  36          1HD2      ASN  36   6.893   3.291   3.291
  217    H    SER  37           HN       SER  37   5.652   6.922   6.922
  218    HA   SER  37           HA       SER  37   3.498   8.354   8.354
  219   1HB   SER  37          2HB       SER  37   3.906  10.318  10.318
  220   2HB   SER  37          3HB       SER  37   5.488   9.806   9.806
  221    HG   SER  37           HG       SER  37   6.106   9.377   9.377
  222    H    TYR  38           HN       TYR  38   3.050   5.818   5.818
  223    HA   TYR  38           HA       TYR  38   2.046   6.167   6.167
  224   1HB   TYR  38          2HB       TYR  38   2.387   3.850   3.850
  225   2HB   TYR  38          3HB       TYR  38   1.650   3.617   3.617
  226    HD1  TYR  38           HD2      TYR  38   4.602   5.761   5.761
  227    HD2  TYR  38           HD1      TYR  38   3.191   2.169   2.169
  228    HE1  TYR  38           HE2      TYR  38   6.897   5.375   5.375
  229    HE2  TYR  38           HE1      TYR  38   5.491   1.796   1.796
  230    HH   TYR  38           HH       TYR  38   7.415   2.933   2.933
  231    HA   PRO  39           HA       PRO  39   0.750   5.195   5.195
  232   1HB   PRO  39          2HB       PRO  39  -1.274   6.143   6.143
  233   2HB   PRO  39          3HB       PRO  39  -1.196   4.487   4.487
  234   1HG   PRO  39          2HG       PRO  39  -2.931   6.686   6.686
  235   2HG   PRO  39          3HG       PRO  39  -3.119   4.960   4.960
  236   1HD   PRO  39          2HD       PRO  39  -2.185   6.866   6.866
  237   2HD   PRO  39          3HD       PRO  39  -2.263   5.128   5.128
  238    H    HIS  40           HN       HIS  40   0.739   6.697   6.697
  239    HA   HIS  40           HA       HIS  40   0.758   9.422   9.422
  240   1HB   HIS  40          2HB       HIS  40   3.083   9.968   9.968
  241   2HB   HIS  40          3HB       HIS  40   2.592   8.929   8.929
  242    HD1  HIS  40           HD1      HIS  40   4.565   8.811   8.811
  243    HD2  HIS  40           HD2      HIS  40   4.025   6.567   6.567
  244    HE1  HIS  40           HE1      HIS  40   6.333   6.972   6.972
  245    HE2  HIS  40           HE2      HIS  40   5.987   5.660   5.660
  246    H    LYS  41           HN       LYS  41   1.828  10.608  10.608
  247    HA   LYS  41           HA       LYS  41   1.032   9.611   9.611
  248   1HB   LYS  41          2HB       LYS  41   1.709  11.949  11.949
  249   2HB   LYS  41          3HB       LYS  41   3.391  11.458  11.458
  250   1HG   LYS  41          2HG       LYS  41   1.964  10.510  10.510
  251   2HG   LYS  41          3HG       LYS  41   1.901  12.254  12.254
  252   1HD   LYS  41          2HD       LYS  41   4.392  10.498  10.498
  253   2HD   LYS  41          3HD       LYS  41   3.902  11.703  11.703
  254   1HE   LYS  41          2HE       LYS  41   4.001  13.070  13.070
  255   2HE   LYS  41          3HE       LYS  41   5.431  12.059  12.059
  256   1HZ   LYS  41          2HZ       LYS  41   4.620  13.915  13.915
  257   2HZ   LYS  41          3HZ       LYS  41   5.807  14.182  14.182
  258   3HZ   LYS  41          1HZ       LYS  41   5.965  12.989  12.989
  259    H    TYR  42           HN       TYR  42   2.192   8.732   8.732
  260    HA   TYR  42           HA       TYR  42   4.657   7.323   7.323
  261   1HB   TYR  42          2HB       TYR  42   2.907   5.689   5.689
  262   2HB   TYR  42          3HB       TYR  42   1.921   6.214   6.214
  263    HD1  TYR  42           HD1      TYR  42   2.541   5.565   5.565
  264    HD2  TYR  42           HD2      TYR  42   4.631   4.031   4.031
  265    HE1  TYR  42           HE1      TYR  42   3.513   3.699   3.699
  266    HE2  TYR  42           HE2      TYR  42   5.596   2.171   2.171
  267    HH   TYR  42           HH       TYR  42   4.554   1.751   1.751
  268    H    ASN  43           HN       ASN  43   3.257   9.528   9.528
  269    HA   ASN  43           HA       ASN  43   2.979   9.384   9.384
  270   1HB   ASN  43          2HB       ASN  43   5.219  10.770  10.770
  271   2HB   ASN  43          3HB       ASN  43   5.489  10.583  10.583
  272   1HD2  ASN  43          2HD2      ASN  43   1.847  12.314  12.314
  273   2HD2  ASN  43          1HD2      ASN  43   2.325  10.777  10.777
  274    H    ASN  44           HN       ASN  44   3.159   7.197   7.197
  275    HA   ASN  44           HA       ASN  44   5.333   5.609   5.609
  276   1HB   ASN  44          2HB       ASN  44   4.320   4.384   4.384
  277   2HB   ASN  44          3HB       ASN  44   2.976   5.152   5.152
  278   1HD2  ASN  44          2HD2      ASN  44   4.164   6.292   6.292
  279   2HD2  ASN  44          1HD2      ASN  44   5.157   5.323   5.323
  280    H    TYR  45           HN       TYR  45   6.582   4.960   4.960
  281    HA   TYR  45           HA       TYR  45   7.107   6.876   6.876
  282   1HB   TYR  45          2HB       TYR  45   8.498   7.095   7.095
  283   2HB   TYR  45          3HB       TYR  45   9.589   7.128   7.128
  284    HD1  TYR  45           HD1      TYR  45   6.517   8.450   8.450
  285    HD2  TYR  45           HD2      TYR  45   9.953   9.459   9.459
  286    HE1  TYR  45           HE1      TYR  45   6.027  10.921  10.921
  287    HE2  TYR  45           HE2      TYR  45   9.451  11.928  11.928
  288    HH   TYR  45           HH       TYR  45   7.352  13.287  13.287
  289    H    GLU  46           HN       GLU  46   8.612   4.415   4.415
  290    HA   GLU  46           HA       GLU  46  10.598   3.528   3.528
  291   1HB   GLU  46          2HB       GLU  46   8.646   1.848   1.848
  292   2HB   GLU  46          3HB       GLU  46  10.191   1.264   1.264
  293   1HG   GLU  46          2HG       GLU  46   9.603   3.138   3.138
  294   2HG   GLU  46          3HG       GLU  46  10.927   2.006   2.006
  295    H    GLY  47           HN       GLY  47   7.193   3.427   3.427
  296   1HA   GLY  47          1HA       GLY  47   6.737   3.087   3.087
  297   2HA   GLY  47          2HA       GLY  47   7.751   1.659   1.659
  298    H    PHE  48           HN       PHE  48   5.079   3.011   3.011
  299    HA   PHE  48           HA       PHE  48   3.957   0.318   0.318
  300   1HB   PHE  48          2HB       PHE  48   3.564   2.938   2.938
  301   2HB   PHE  48          3HB       PHE  48   2.562   1.530   1.530
  302    HD1  PHE  48           HD2      PHE  48   3.575  -0.532  -0.532
  303    HD2  PHE  48           HD1      PHE  48   5.786   3.070   3.070
  304    HE1  PHE  48           HE2      PHE  48   5.271  -1.407  -1.407
  305    HE2  PHE  48           HE1      PHE  48   7.483   2.196   2.196
  306    HZ   PHE  48           HZ       PHE  48   7.205  -0.032  -0.032
  307    H    ASP  49           HN       ASP  49   1.993  -0.196  -0.196
  308    HA   ASP  49           HA       ASP  49   0.803   1.905   1.905
  309   1HB   ASP  49          2HB       ASP  49  -0.265  -0.912  -0.912
  310   2HB   ASP  49          3HB       ASP  49  -0.128   0.199   0.199
  311    H    PHE  50           HN       PHE  50   0.036   2.868   2.868
  312    HA   PHE  50           HA       PHE  50  -1.956   1.417   1.417
  313   1HB   PHE  50          2HB       PHE  50  -0.970   4.324   4.324
  314   2HB   PHE  50          3HB       PHE  50  -2.208   3.821   3.821
  315    HD1  PHE  50           HD1      PHE  50  -0.260   1.028   1.028
  316    HD2  PHE  50           HD2      PHE  50  -0.049   5.011   5.011
  317    HE1  PHE  50           HE1      PHE  50   1.517   0.340   0.340
  318    HE2  PHE  50           HE2      PHE  50   1.729   4.322   4.322
  319    HZ   PHE  50           HZ       PHE  50   2.490   1.995   1.995
  320    H    SER  51           HN       SER  51  -3.835   0.927   0.927
  321    HA   SER  51           HA       SER  51  -4.890   2.671   2.671
  322   1HB   SER  51          2HB       SER  51  -6.777   1.089   1.089
  323   2HB   SER  51          3HB       SER  51  -5.252   0.226   0.226
  324    HG   SER  51           HG       SER  51  -5.559   0.018   0.018
  325    H    VAL  52           HN       VAL  52  -4.433   3.897   3.897
  326    HA   VAL  52           HA       VAL  52  -7.195   4.748   4.748
  327    HB   VAL  52           HB       VAL  52  -6.764   4.834   4.834
  328   1HG1  VAL  52          1HG1      VAL  52  -6.063   2.180   2.180
  329   2HG1  VAL  52          2HG1      VAL  52  -6.358   2.372   2.372
  330   3HG1  VAL  52          3HG1      VAL  52  -7.650   2.739   2.739
  331   1HG2  VAL  52          2HG2      VAL  52  -3.950   4.220   4.220
  332   2HG2  VAL  52          3HG2      VAL  52  -4.562   5.358   5.358
  333   3HG2  VAL  52          1HG2      VAL  52  -4.531   3.613   3.613
  334    H    SER  53           HN       SER  53  -7.302   6.974   6.974
  335    HA   SER  53           HA       SER  53  -5.305   8.576   8.576
  336   1HB   SER  53          2HB       SER  53  -7.891   8.927   8.927
  337   2HB   SER  53          3HB       SER  53  -7.716   9.609   9.609
  338    HG   SER  53           HG       SER  53  -5.854  10.636  10.636
  339    H    SER  54           HN       SER  54  -4.067  10.242  10.242
  340    HA   SER  54           HA       SER  54  -3.283   9.435   9.435
  341   1HB   SER  54          2HB       SER  54  -1.485  10.846  10.846
  342   2HB   SER  54          3HB       SER  54  -1.984  10.673  10.673
  343    HG   SER  54           HG       SER  54  -3.259  12.665  12.665
  344    HA   PRO  55           HA       PRO  55  -1.930  11.207  11.207
  345   1HB   PRO  55          2HB       PRO  55  -1.605  11.590  11.590
  346   2HB   PRO  55          3HB       PRO  55  -1.412  12.870  12.870
  347   1HG   PRO  55          2HG       PRO  55  -3.650  12.397  12.397
  348   2HG   PRO  55          3HG       PRO  55  -3.235  13.862  13.862
  349   1HD   PRO  55          2HD       PRO  55  -5.344  12.028  12.028
  350   2HD   PRO  55          3HD       PRO  55  -4.854  13.430  13.430
  351    H    TYR  56           HN       TYR  56  -0.579   9.496   9.496
  352    HA   TYR  56           HA       TYR  56  -2.307   7.240   7.240
  353   1HB   TYR  56          2HB       TYR  56   0.629   7.585   7.585
  354   2HB   TYR  56          3HB       TYR  56  -0.124   6.023   6.023
  355    HD1  TYR  56           HD1      TYR  56  -2.838   6.673   6.673
  356    HD2  TYR  56           HD2      TYR  56   1.168   7.423   7.423
  357    HE1  TYR  56           HE1      TYR  56  -3.617   6.671   6.671
  358    HE2  TYR  56           HE2      TYR  56   0.376   7.418   7.418
  359    HH   TYR  56           HH       TYR  56  -1.596   7.758   7.758
  360    H    TYR  57           HN       TYR  57  -2.320   6.332   6.332
  361    HA   TYR  57           HA       TYR  57  -0.284   7.308   7.308
  362   1HB   TYR  57          2HB       TYR  57  -3.056   6.004   6.004
  363   2HB   TYR  57          3HB       TYR  57  -2.087   6.635   6.635
  364    HD1  TYR  57           HD2      TYR  57  -1.239   9.066   9.066
  365    HD2  TYR  57           HD1      TYR  57  -4.890   7.489   7.489
  366    HE1  TYR  57           HE2      TYR  57  -2.348  11.336  11.336
  367    HE2  TYR  57           HE1      TYR  57  -5.986   9.766   9.766
  368    HH   TYR  57           HH       TYR  57  -4.422  12.495  12.495
  369    H    GLU  58           HN       GLU  58   1.202   5.901   5.901
  370    HA   GLU  58           HA       GLU  58   0.859   3.133   3.133
  371   1HB   GLU  58          2HB       GLU  58   3.263   2.940   2.940
  372   2HB   GLU  58          3HB       GLU  58   3.011   4.083   4.083
  373   1HG   GLU  58          2HG       GLU  58   3.090   5.978   5.978
  374   2HG   GLU  58          3HG       GLU  58   3.090   4.911   4.911
  375    H    TRP  59           HN       TRP  59   0.569   1.444   1.444
  376    HA   TRP  59           HA       TRP  59   0.838   2.032   2.032
  377   1HB   TRP  59          2HB       TRP  59  -1.394   2.688   2.688
  378   2HB   TRP  59          3HB       TRP  59  -1.770   1.415   1.415
  379    HD1  TRP  59           HD1      TRP  59  -2.462  -0.974  -0.974
  380    HE1  TRP  59           HE1      TRP  59  -3.059  -1.896  -1.896
  381    HE3  TRP  59           HE3      TRP  59  -0.696   3.049   3.049
  382    HZ2  TRP  59           HZ2      TRP  59  -2.733  -0.862  -0.862
  383    HZ3  TRP  59           HZ3      TRP  59  -0.874   3.013   3.013
  384    HH2  TRP  59           HH2      TRP  59  -1.850   1.145   1.145
  385    HA   PRO  60           HA       PRO  60   2.170  -2.098  -2.098
  386   1HB   PRO  60          2HB       PRO  60   2.034  -2.829  -2.829
  387   2HB   PRO  60          3HB       PRO  60   3.355  -1.890  -1.890
  388   1HG   PRO  60          2HG       PRO  60   1.111  -0.988  -0.988
  389   2HG   PRO  60          3HG       PRO  60   2.638  -0.188  -0.188
  390   1HD   PRO  60          2HD       PRO  60   0.087   0.469   0.469
  391   2HD   PRO  60          3HD       PRO  60   1.631   1.191   1.191
  392    H    ILE  61           HN       ILE  61   1.604  -4.312  -4.312
  393    HA   ILE  61           HA       ILE  61  -1.267  -4.649  -4.649
  394    HB   ILE  61           HB       ILE  61  -0.585  -4.460  -4.460
  395   1HG1  ILE  61          2HG1      ILE  61  -1.956  -6.996  -6.996
  396   2HG1  ILE  61          3HG1      ILE  61  -2.713  -5.432  -5.432
  397   1HG2  ILE  61          1HG2      ILE  61   1.501  -6.013  -6.013
  398   2HG2  ILE  61          2HG2      ILE  61   0.352  -7.288  -7.288
  399   3HG2  ILE  61          3HG2      ILE  61   0.744  -5.982  -5.982
  400   1HD1  ILE  61          2HD1      ILE  61  -1.254  -6.155  -6.155
  401   2HD1  ILE  61          3HD1      ILE  61  -2.376  -7.459  -7.459
  402   3HD1  ILE  61          1HD1      ILE  61  -2.988  -5.808  -5.808
  403    H    LEU  62           HN       LEU  62  -1.645  -6.058  -6.058
  404    HA   LEU  62           HA       LEU  62   0.509  -7.820  -7.820
  405   1HB   LEU  62          2HB       LEU  62  -2.155  -7.104  -7.104
  406   2HB   LEU  62          3HB       LEU  62  -1.084  -8.318  -8.318
  407    HG   LEU  62           HG       LEU  62  -0.304  -5.420  -5.420
  408   1HD1  LEU  62          3HD1      LEU  62  -1.409  -6.816  -6.816
  409   2HD1  LEU  62          1HD1      LEU  62  -0.529  -5.270  -5.270
  410   3HD1  LEU  62          2HD1      LEU  62  -2.057  -5.390  -5.390
  411   1HD2  LEU  62          1HD2      LEU  62   1.191  -7.794  -7.794
  412   2HD2  LEU  62          2HD2      LEU  62   1.763  -6.137  -6.137
  413   3HD2  LEU  62          3HD2      LEU  62   1.252  -6.606  -6.606
  414    H    SER  63           HN       SER  63   0.694  -9.871  -9.871
  415    HA   SER  63           HA       SER  63  -1.082 -10.943 -10.943
  416   1HB   SER  63          2HB       SER  63   1.404 -11.574 -11.574
  417   2HB   SER  63          3HB       SER  63   0.633 -12.706 -12.706
  418    HG   SER  63           HG       SER  63   0.133 -12.566 -12.566
  419    H    SER  64           HN       SER  64  -1.468 -10.479 -10.479
  420    HA   SER  64           HA       SER  64  -3.063 -12.843 -12.843
  421   1HB   SER  64          2HB       SER  64  -1.943 -10.679 -10.679
  422   2HB   SER  64          3HB       SER  64  -3.437 -11.417 -11.417
  423    HG   SER  64           HG       SER  64  -2.435 -13.475 -13.475
  424    H    GLY  65           HN       GLY  65  -3.402  -9.604  -9.604
  425   1HA   GLY  65          1HA       GLY  65  -5.270  -8.613  -8.613
  426   2HA   GLY  65          2HA       GLY  65  -6.268  -9.893  -9.893
  427    H    ASP  66           HN       ASP  66  -3.872  -7.881  -7.881
  428    HA   ASP  66           HA       ASP  66  -6.132  -6.912  -6.912
  429   1HB   ASP  66          2HB       ASP  66  -3.226  -7.478  -7.478
  430   2HB   ASP  66          3HB       ASP  66  -4.225  -6.465  -6.465
  431    H    VAL  67           HN       VAL  67  -4.914  -4.781  -4.781
  432    HA   VAL  67           HA       VAL  67  -4.113  -3.032  -3.032
  433    HB   VAL  67           HB       VAL  67  -5.689  -2.582  -2.582
  434   1HG1  VAL  67          2HG1      VAL  67  -4.195  -0.556  -0.556
  435   2HG1  VAL  67          3HG1      VAL  67  -5.670  -0.116  -0.116
  436   3HG1  VAL  67          1HG1      VAL  67  -4.250  -0.734  -0.734
  437   1HG2  VAL  67          1HG2      VAL  67  -6.238  -2.691  -2.691
  438   2HG2  VAL  67          2HG2      VAL  67  -7.332  -2.907  -2.907
  439   3HG2  VAL  67          3HG2      VAL  67  -6.934  -1.269  -1.269
  440    H    TYR  68           HN       TYR  68  -1.933  -2.804  -2.804
  441    HA   TYR  68           HA       TYR  68  -0.148  -3.455  -3.455
  442   1HB   TYR  68          2HB       TYR  68   0.181  -2.615  -2.615
  443   2HB   TYR  68          3HB       TYR  68  -0.160  -0.989  -0.989
  444    HD1  TYR  68           HD2      TYR  68   1.984  -3.678  -3.678
  445    HD2  TYR  68           HD1      TYR  68   1.808   0.237   0.237
  446    HE1  TYR  68           HE2      TYR  68   4.449  -3.330  -3.330
  447    HE2  TYR  68           HE1      TYR  68   4.273   0.571   0.571
  448    HH   TYR  68           HH       TYR  68   6.053  -1.811  -1.811
  449    H    SER  69           HN       SER  69   1.274  -2.088  -2.088
  450    HA   SER  69           HA       SER  69   0.237   0.405   0.405
  451   1HB   SER  69          2HB       SER  69  -0.119  -0.346  -0.346
  452   2HB   SER  69          3HB       SER  69  -1.346  -0.868  -0.868
  453    HG   SER  69           HG       SER  69   0.830  -2.644  -2.644
  454    H    GLY  70           HN       GLY  70   2.665  -0.021  -0.021
  455   1HA   GLY  70          1HA       GLY  70   4.465   0.513   0.513
  456   2HA   GLY  70          2HA       GLY  70   4.777  -1.007  -1.007
  457    H    GLY  71           HN       GLY  71   6.889   0.197   0.197
  458   1HA   GLY  71          1HA       GLY  71   6.601   2.114   2.114
  459   2HA   GLY  71          2HA       GLY  71   8.028   1.848   1.848
  460    H    SER  72           HN       SER  72   7.796  -1.145  -1.145
  461    HA   SER  72           HA       SER  72   8.658  -1.437  -1.437
  462   1HB   SER  72          2HB       SER  72   9.495  -3.134  -3.134
  463   2HB   SER  72          3HB       SER  72  10.162  -3.213  -3.213
  464    HG   SER  72           HG       SER  72  10.514  -0.703  -0.703
  465    HA   PRO  73           HA       PRO  73   5.006  -4.051  -4.051
  466   1HB   PRO  73          2HB       PRO  73   3.934  -3.477  -3.477
  467   2HB   PRO  73          3HB       PRO  73   3.518  -2.599  -2.599
  468   1HG   PRO  73          2HG       PRO  73   5.250  -1.753  -1.753
  469   2HG   PRO  73          3HG       PRO  73   4.487  -0.766  -0.766
  470   1HD   PRO  73          2HD       PRO  73   7.247  -1.538  -1.538
  471   2HD   PRO  73          3HD       PRO  73   6.460  -0.649  -0.649
  472    H    GLY  74           HN       GLY  74   6.802  -3.683  -3.683
  473   1HA   GLY  74          1HA       GLY  74   8.162  -5.930  -5.930
  474   2HA   GLY  74          2HA       GLY  74   6.552  -6.561  -6.561
  475    H    ALA  75           HN       ALA  75   8.315  -6.912  -6.912
  476    HA   ALA  75           HA       ALA  75   8.656  -4.856  -4.856
  477   1HB   ALA  75          1HB       ALA  75   8.603  -7.842  -7.842
  478   2HB   ALA  75          2HB       ALA  75   8.454  -7.011  -7.011
  479   3HB   ALA  75          3HB       ALA  75   9.870  -6.709  -6.709
  480    H    ASP  76           HN       ASP  76   5.896  -7.152  -7.152
  481    HA   ASP  76           HA       ASP  76   4.481  -6.361  -6.361
  482   1HB   ASP  76          2HB       ASP  76   3.214  -7.097  -7.097
  483   2HB   ASP  76          3HB       ASP  76   2.566  -7.392  -7.392
  484    H    ARG  77           HN       ARG  77   3.331  -4.463  -4.463
  485    HA   ARG  77           HA       ARG  77   2.287  -2.953  -2.953
  486   1HB   ARG  77          2HB       ARG  77   4.216  -1.671  -1.671
  487   2HB   ARG  77          3HB       ARG  77   3.359  -0.822  -0.822
  488   1HG   ARG  77          2HG       ARG  77   5.024  -3.189  -3.189
  489   2HG   ARG  77          3HG       ARG  77   5.885  -1.750  -1.750
  490   1HD   ARG  77          2HD       ARG  77   3.719  -0.954  -0.954
  491   2HD   ARG  77          3HD       ARG  77   4.617  -2.246  -2.246
  492    HE   ARG  77           HE       ARG  77   5.709   0.403   0.403
  493   1HH1  ARG  77           HH2      ARG  77   6.228  -2.735  -2.735
  494   2HH1  ARG  77           HH2      ARG  77   7.712  -2.267  -2.267
  495   1HH2  ARG  77           HH1      ARG  77   7.666   1.021   1.021
  496   2HH2  ARG  77           HH1      ARG  77   8.535  -0.116  -0.116
  497    H    VAL  78           HN       VAL  78   0.445  -1.720  -1.720
  498    HA   VAL  78           HA       VAL  78  -0.311  -2.086  -2.086
  499    HB   VAL  78           HB       VAL  78  -2.624  -1.542  -1.542
  500   1HG1  VAL  78          2HG1      VAL  78  -1.896  -3.735  -3.735
  501   2HG1  VAL  78          3HG1      VAL  78  -1.286  -4.181  -4.181
  502   3HG1  VAL  78          1HG1      VAL  78  -3.025  -3.891  -3.891
  503   1HG2  VAL  78          2HG2      VAL  78  -1.343  -0.977  -0.977
  504   2HG2  VAL  78          3HG2      VAL  78  -2.959  -1.722  -1.722
  505   3HG2  VAL  78          1HG2      VAL  78  -1.512  -2.728  -2.728
  506    H    VAL  79           HN       VAL  79  -1.087  -0.311  -0.311
  507    HA   VAL  79           HA       VAL  79  -0.630   2.293   2.293
  508    HB   VAL  79           HB       VAL  79   0.054   1.357   1.357
  509   1HG1  VAL  79          2HG1      VAL  79  -0.904   3.851   3.851
  510   2HG1  VAL  79          3HG1      VAL  79   0.845   4.086   4.086
  511   3HG1  VAL  79          1HG1      VAL  79   0.233   3.480   3.480
  512   1HG2  VAL  79          3HG2      VAL  79   1.528   1.336   1.336
  513   2HG2  VAL  79          1HG2      VAL  79   2.134   1.063   1.063
  514   3HG2  VAL  79          2HG2      VAL  79   2.165   2.699   2.699
  515    H    PHE  80           HN       PHE  80  -2.191   3.876   3.876
  516    HA   PHE  80           HA       PHE  80  -4.289   3.309   3.309
  517   1HB   PHE  80          2HB       PHE  80  -6.017   3.521   3.521
  518   2HB   PHE  80          3HB       PHE  80  -4.910   2.242   2.242
  519    HD1  PHE  80           HD2      PHE  80  -2.849   3.079   3.079
  520    HD2  PHE  80           HD1      PHE  80  -6.577   5.078   5.078
  521    HE1  PHE  80           HE2      PHE  80  -2.427   4.225   4.225
  522    HE2  PHE  80           HE1      PHE  80  -6.157   6.223   6.223
  523    HZ   PHE  80           HZ       PHE  80  -4.086   5.783   5.783
  524    H    ASN  81           HN       ASN  81  -6.107   5.307   5.307
  525    HA   ASN  81           HA       ASN  81  -4.422   7.677   7.677
  526   1HB   ASN  81          2HB       ASN  81  -7.105   7.745   7.745
  527   2HB   ASN  81          3HB       ASN  81  -5.649   8.646   8.646
  528   1HD2  ASN  81          2HD2      ASN  81  -6.225   4.788   4.788
  529   2HD2  ASN  81          1HD2      ASN  81  -7.080   5.410   5.410
  530    H    GLU  82           HN       GLU  82  -6.632   9.552   9.552
  531    HA   GLU  82           HA       GLU  82  -7.573   9.030   9.030
  532   1HB   GLU  82          2HB       GLU  82  -6.485  11.260  11.260
  533   2HB   GLU  82          3HB       GLU  82  -8.137  11.598  11.598
  534   1HG   GLU  82          2HG       GLU  82  -8.925  11.573  11.573
  535   2HG   GLU  82          3HG       GLU  82  -7.501  10.736  10.736
  536    H    ASN  83           HN       ASN  83  -8.636   7.727   7.727
  537    HA   ASN  83           HA       ASN  83 -11.353   8.751   8.751
  538   1HB   ASN  83          2HB       ASN  83 -11.183   6.766   6.766
  539   2HB   ASN  83          3HB       ASN  83 -11.272   8.501   8.501
  540   1HD2  ASN  83          2HD2      ASN  83  -7.871   6.395   6.395
  541   2HD2  ASN  83          1HD2      ASN  83  -9.371   5.693   5.693
  542    H    ASN  84           HN       ASN  84  -9.189   5.970   5.970
  543    HA   ASN  84           HA       ASN  84  -9.782   4.462   4.462
  544   1HB   ASN  84          2HB       ASN  84 -12.004   3.607   3.607
  545   2HB   ASN  84          3HB       ASN  84 -12.241   5.309   5.309
  546   1HD2  ASN  84          1HD2      ASN  84 -11.335   4.792   4.792
  547   2HD2  ASN  84          2HD2      ASN  84 -12.717   4.141   4.141
  548    H    GLN  85           HN       GLN  85  -8.882   4.618   4.618
  549    HA   GLN  85           HA       GLN  85  -9.675   1.986   1.986
  550   1HB   GLN  85          2HB       GLN  85  -8.172   4.265   4.265
  551   2HB   GLN  85          3HB       GLN  85  -8.403   2.699   2.699
  552   1HG   GLN  85          2HG       GLN  85 -10.826   2.943   2.943
  553   2HG   GLN  85          3HG       GLN  85 -10.729   4.365   4.365
  554   1HE2  GLN  85          2HE2      GLN  85 -10.336   6.658   6.658
  555   2HE2  GLN  85          1HE2      GLN  85 -10.576   6.308   6.308
  556    H    LEU  86           HN       LEU  86  -7.504   1.079   1.079
  557    HA   LEU  86           HA       LEU  86  -5.313   1.061   1.061
  558   1HB   LEU  86          2HB       LEU  86  -5.613  -1.066  -1.066
  559   2HB   LEU  86          3HB       LEU  86  -7.094  -1.046  -1.046
  560    HG   LEU  86           HG       LEU  86  -5.023  -1.337  -1.337
  561   1HD1  LEU  86          2HD1      LEU  86  -3.821  -2.021  -2.021
  562   2HD1  LEU  86          3HD1      LEU  86  -4.588  -3.576  -3.576
  563   3HD1  LEU  86          1HD1      LEU  86  -3.474  -2.810  -2.810
  564   1HD2  LEU  86          3HD2      LEU  86  -7.375  -2.770  -2.770
  565   2HD2  LEU  86          1HD2      LEU  86  -6.735  -2.581  -2.581
  566   3HD2  LEU  86          2HD2      LEU  86  -6.101  -3.864  -3.864
  567    H    ALA  87           HN       ALA  87  -3.360   1.510   1.510
  568    HA   ALA  87           HA       ALA  87  -3.239   2.101   2.101
  569   1HB   ALA  87          2HB       ALA  87  -1.844   2.779   2.779
  570   2HB   ALA  87          3HB       ALA  87  -0.668   1.861   1.861
  571   3HB   ALA  87          1HB       ALA  87  -1.458   3.301   3.301
  572    H    GLY  88           HN       GLY  88  -2.140  -0.584  -0.584
  573   1HA   GLY  88          1HA       GLY  88  -2.307  -2.587  -2.587
  574   2HA   GLY  88          2HA       GLY  88  -0.708  -1.919  -1.919
  575    H    VAL  89           HN       VAL  89   0.638  -3.473  -3.473
  576    HA   VAL  89           HA       VAL  89   0.490  -3.756  -3.756
  577    HB   VAL  89           HB       VAL  89   0.134  -6.009  -6.009
  578   1HG1  VAL  89          2HG1      VAL  89   2.105  -6.419  -6.419
  579   2HG1  VAL  89          3HG1      VAL  89   0.908  -6.432  -6.432
  580   3HG1  VAL  89          1HG1      VAL  89   0.802  -7.633  -7.633
  581   1HG2  VAL  89          1HG2      VAL  89  -1.401  -4.793  -4.793
  582   2HG2  VAL  89          2HG2      VAL  89  -1.967  -5.593  -5.593
  583   3HG2  VAL  89          3HG2      VAL  89  -1.436  -6.570  -6.570
  584    H    ILE  90           HN       ILE  90   2.439  -2.679  -2.679
  585    HA   ILE  90           HA       ILE  90   4.670  -3.524  -3.524
  586    HB   ILE  90           HB       ILE  90   5.823  -1.634  -1.634
  587   1HG1  ILE  90          2HG1      ILE  90   3.662  -1.705  -1.705
  588   2HG1  ILE  90          3HG1      ILE  90   5.379  -1.406  -1.406
  589   1HG2  ILE  90          2HG2      ILE  90   3.792  -1.476  -1.476
  590   2HG2  ILE  90          3HG2      ILE  90   3.131  -0.437  -0.437
  591   3HG2  ILE  90          1HG2      ILE  90   4.702  -0.047  -0.047
  592   1HD1  ILE  90          1HD1      ILE  90   4.262   0.685   0.685
  593   2HD1  ILE  90          2HD1      ILE  90   3.277   0.522   0.522
  594   3HD1  ILE  90          3HD1      ILE  90   5.026   0.827   0.827
  595    H    THR  91           HN       THR  91   6.833  -3.874  -3.874
  596    HA   THR  91           HA       THR  91   6.682  -4.858  -4.858
  597    HB   THR  91           HB       THR  91   5.736  -6.859  -6.859
  598    HG1  THR  91           HG1      THR  91   7.538  -7.951  -7.951
  599   1HG2  THR  91          2HG2      THR  91   5.856  -6.233  -6.233
  600   2HG2  THR  91          3HG2      THR  91   7.586  -6.650  -6.650
  601   3HG2  THR  91          1HG2      THR  91   6.363  -7.911  -7.911
  602    H    HIS  92           HN       HIS  92   8.750  -5.307  -5.307
  603    HA   HIS  92           HA       HIS  92  10.792  -3.830  -3.830
  604   1HB   HIS  92          2HB       HIS  92  10.507  -5.210  -5.210
  605   2HB   HIS  92          3HB       HIS  92  12.098  -4.728  -4.728
  606    HD1  HIS  92           HD1      HIS  92  12.366  -2.899  -2.899
  607    HD2  HIS  92           HD2      HIS  92   9.025  -2.359  -2.359
  608    HE1  HIS  92           HE1      HIS  92  11.502  -0.543  -0.543
  609    HE2  HIS  92           HE2      HIS  92   9.483  -0.249  -0.249
  610    H    THR  93           HN       THR  93   9.641  -6.552  -6.552
  611    HA   THR  93           HA       THR  93  11.524  -8.548  -8.548
  612    HB   THR  93           HB       THR  93   9.430  -7.674  -7.674
  613    HG1  THR  93           HG1      THR  93  10.222 -10.093 -10.093
  614   1HG2  THR  93          3HG2      THR  93  11.779  -9.393  -9.393
  615   2HG2  THR  93          1HG2      THR  93  10.202 -10.174 -10.174
  616   3HG2  THR  93          2HG2      THR  93  10.592  -8.645  -8.645
  617    H    GLY  94           HN       GLY  94  13.636  -7.692  -7.692
  618   1HA   GLY  94          1HA       GLY  94  15.544  -6.718  -6.718
  619   2HA   GLY  94          2HA       GLY  94  15.291  -7.888  -7.888
  620    H    ALA  95           HN       ALA  95  13.297  -4.965  -4.965
  621    HA   ALA  95           HA       ALA  95  13.110  -4.189  -4.189
  622   1HB   ALA  95          1HB       ALA  95  12.580  -2.966  -2.966
  623   2HB   ALA  95          2HB       ALA  95  12.582  -1.895  -1.895
  624   3HB   ALA  95          3HB       ALA  95  11.464  -3.278  -3.278
  625    H    SER  96           HN       SER  96  15.791  -4.096  -4.096
  626    HA   SER  96           HA       SER  96  17.865  -3.565  -3.565
  627   1HB   SER  96          2HB       SER  96  16.821  -2.835  -2.835
  628   2HB   SER  96          3HB       SER  96  16.774  -1.219  -1.219
  629    HG   SER  96           HG       SER  96  19.136  -1.488  -1.488
  630    H    GLY  97           HN       GLY  97  16.641  -2.939  -2.939
  631   1HA   GLY  97          1HA       GLY  97  17.841  -1.475  -1.475
  632   2HA   GLY  97          2HA       GLY  97  17.483  -0.144  -0.144
  633    H    ASN  98           HN       ASN  98  16.000   1.146   1.146
  634    HA   ASN  98           HA       ASN  98  13.934  -0.155  -0.155
  635   1HB   ASN  98          2HB       ASN  98  15.060   1.781   1.781
  636   2HB   ASN  98          3HB       ASN  98  14.724   2.780   2.780
  637   1HD2  ASN  98          2HD2      ASN  98  11.255   1.528   1.528
  638   2HD2  ASN  98          1HD2      ASN  98  12.430   0.431   0.431
  639    H    ASN  99           HN       ASN  99  14.351   0.289   0.289
  640    HA   ASN  99           HA       ASN  99  12.175   1.907   1.907
  641   1HB   ASN  99          2HB       ASN  99  12.597   0.322   0.322
  642   2HB   ASN  99          3HB       ASN  99  13.565   1.735   1.735
  643   1HD2  ASN  99          2HD2      ASN  99  15.114  -1.799  -1.799
  644   2HD2  ASN  99          1HD2      ASN  99  13.484  -1.299  -1.299
  645    H    PHE 100           HN       PHE 100  10.211   1.025   1.025
  646    HA   PHE 100           HA       PHE 100   9.411  -1.557  -1.557
  647   1HB   PHE 100          2HB       PHE 100   8.042   1.076   1.076
  648   2HB   PHE 100          3HB       PHE 100   7.077  -0.387  -0.387
  649    HD1  PHE 100           HD2      PHE 100   7.725  -1.884  -1.884
  650    HD2  PHE 100           HD1      PHE 100   7.811   2.342   2.342
  651    HE1  PHE 100           HE2      PHE 100   7.425  -1.661  -1.661
  652    HE2  PHE 100           HE1      PHE 100   7.510   2.566   2.566
  653    HZ   PHE 100           HZ       PHE 100   7.321   0.561   0.561
  654    H    VAL 101           HN       VAL 101   7.660  -2.701  -2.701
  655    HA   VAL 101           HA       VAL 101   7.672  -2.137  -2.137
  656    HB   VAL 101           HB       VAL 101   8.749  -4.266  -4.266
  657   1HG1  VAL 101          2HG1      VAL 101   9.905  -1.985  -1.985
  658   2HG1  VAL 101          3HG1      VAL 101  10.706  -2.565  -2.565
  659   3HG1  VAL 101          1HG1      VAL 101  10.957  -3.420  -3.420
  660   1HG2  VAL 101          2HG2      VAL 101   8.482  -5.344  -5.344
  661   2HG2  VAL 101          3HG2      VAL 101  10.067  -5.563  -5.563
  662   3HG2  VAL 101          1HG2      VAL 101   9.876  -4.372  -4.372
  663    H    GLU 102           HN       GLU 102   5.822  -2.974  -2.974
  664    HA   GLU 102           HA       GLU 102   3.865  -3.931  -3.931
  665   1HB   GLU 102          2HB       GLU 102   3.061  -4.878  -4.878
  666   2HB   GLU 102          3HB       GLU 102   2.883  -3.213  -3.213
  667   1HG   GLU 102          2HG       GLU 102   4.779  -2.484  -2.484
  668   2HG   GLU 102          3HG       GLU 102   5.483  -4.089  -4.089
  669    H    CYS 103           HN       CYS 103   3.387  -5.902  -5.902
  670    HA   CYS 103           HA       CYS 103   5.179  -7.986  -7.986
  671   1HB   CYS 103          2HB       CYS 103   2.258  -7.944  -7.944
  672   2HB   CYS 103          3HB       CYS 103   3.290  -9.344  -9.344
  673    H    THR 104           HN       THR 104   3.725 -10.356 -10.356
  674    HA   THR 104           HA       THR 104   3.251 -10.102 -10.102
  675    HB   THR 104           HB       THR 104   4.129 -12.420 -12.420
  676    HG1  THR 104           HG1      THR 104   4.051 -13.513 -13.513
  677   1HG2  THR 104          1HG2      THR 104   5.772 -10.399 -10.399
  678   2HG2  THR 104          2HG2      THR 104   6.408 -12.034 -12.034
  679   3HG2  THR 104          3HG2      THR 104   6.017 -10.967 -10.967

  Start of MODEL    2
    1    H    ALA   1           HN       ALA   1 -10.253 -14.026 -14.026
    2    HA   ALA   1           HA       ALA   1  -8.822 -15.074 -15.074
    3   1HB   ALA   1          2HB       ALA   1  -7.864 -16.174 -16.174
    4   2HB   ALA   1          3HB       ALA   1  -7.463 -16.868 -16.868
    5   3HB   ALA   1          1HB       ALA   1  -9.152 -16.847 -16.847
    6    H    CYS   2           HN       CYS   2  -6.486 -15.298 -15.298
    7    HA   CYS   2           HA       CYS   2  -5.202 -13.044 -13.044
    8   1HB   CYS   2          2HB       CYS   2  -3.079 -14.807 -14.807
    9   2HB   CYS   2          3HB       CYS   2  -3.793 -14.394 -14.394
   10    H    ASP   3           HN       ASP   3  -4.308 -11.473 -11.473
   11    HA   ASP   3           HA       ASP   3  -3.486 -12.343 -12.343
   12   1HB   ASP   3          2HB       ASP   3  -5.331 -10.149 -10.149
   13   2HB   ASP   3          3HB       ASP   3  -4.171  -9.704  -9.704
   14    H    TYR   4           HN       TYR   4  -2.771 -10.876 -10.876
   15    HA   TYR   4           HA       TYR   4  -0.367  -9.625  -9.625
   16   1HB   TYR   4          2HB       TYR   4  -2.230  -8.743  -8.743
   17   2HB   TYR   4          3HB       TYR   4  -0.724  -7.935  -7.935
   18    HD1  TYR   4           HD2      TYR   4  -0.491  -6.897  -6.897
   19    HD2  TYR   4           HD1      TYR   4  -4.234  -8.109  -8.109
   20    HE1  TYR   4           HE2      TYR   4  -1.723  -5.399  -5.399
   21    HE2  TYR   4           HE1      TYR   4  -5.454  -6.608  -6.608
   22    HH   TYR   4           HH       TYR   4  -3.807  -4.276  -4.276
   23    H    THR   5           HN       THR   5   0.937 -11.447 -11.447
   24    HA   THR   5           HA       THR   5   1.008 -12.209 -12.209
   25    HB   THR   5           HB       THR   5   2.081 -13.522 -13.522
   26    HG1  THR   5           HG1      THR   5   0.307 -15.039 -15.039
   27   1HG2  THR   5          1HG2      THR   5   2.801 -13.965 -13.965
   28   2HG2  THR   5          2HG2      THR   5   1.755 -15.309 -15.309
   29   3HG2  THR   5          3HG2      THR   5   3.248 -14.947 -14.947
   30    H    CYS   6           HN       CYS   6   2.267 -10.856 -10.856
   31    HA   CYS   6           HA       CYS   6   4.591  -9.714  -9.714
   32   1HB   CYS   6          2HB       CYS   6   3.206  -9.449  -9.449
   33   2HB   CYS   6          3HB       CYS   6   4.879  -8.944  -8.944
   34    H    GLY   7           HN       GLY   7   5.311 -12.118 -12.118
   35   1HA   GLY   7          1HA       GLY   7   6.917 -13.652 -13.652
   36   2HA   GLY   7          2HA       GLY   7   7.434 -12.733 -12.733
   37    H    SER   8           HN       SER   8   5.389 -12.750 -12.750
   38    HA   SER   8           HA       SER   8   4.641 -15.555 -15.555
   39   1HB   SER   8          2HB       SER   8   5.347 -15.695 -15.695
   40   2HB   SER   8          3HB       SER   8   6.650 -14.821 -14.821
   41    HG   SER   8           HG       SER   8   5.891 -12.862 -12.862
   42    H    ASN   9           HN       ASN   9   2.806 -13.973 -13.973
   43    HA   ASN   9           HA       ASN   9   0.966 -13.527 -13.527
   44   1HB   ASN   9          2HB       ASN   9   1.352 -11.534 -11.534
   45   2HB   ASN   9          3HB       ASN   9   0.204 -11.374 -11.374
   46   1HD2  ASN   9          2HD2      ASN   9   4.273 -10.973 -10.973
   47   2HD2  ASN   9          1HD2      ASN   9   3.674 -12.013 -12.013
   48    H    CYS  10           HN       CYS  10  -1.291 -12.739 -12.739
   49    HA   CYS  10           HA       CYS  10  -1.619 -13.803 -13.803
   50   1HB   CYS  10          2HB       CYS  10  -1.334 -15.879 -15.879
   51   2HB   CYS  10          3HB       CYS  10  -3.068 -15.639 -15.639
   52    H    TYR  11           HN       TYR  11  -2.363 -11.415 -11.415
   53    HA   TYR  11           HA       TYR  11  -5.220 -11.647 -11.647
   54   1HB   TYR  11          2HB       TYR  11  -4.568  -9.169  -9.169
   55   2HB   TYR  11          3HB       TYR  11  -4.324 -10.570 -10.570
   56    HD1  TYR  11           HD2      TYR  11  -2.279  -9.471  -9.471
   57    HD2  TYR  11           HD1      TYR  11  -2.465  -9.986  -9.986
   58    HE1  TYR  11           HE2      TYR  11   0.194  -8.914  -8.914
   59    HE2  TYR  11           HE1      TYR  11   0.010  -9.426  -9.426
   60    HH   TYR  11           HH       TYR  11   1.690  -7.949  -7.949
   61    H    SER  12           HN       SER  12  -6.130 -11.407 -11.407
   62    HA   SER  12           HA       SER  12  -5.012  -9.834  -9.834
   63   1HB   SER  12          2HB       SER  12  -6.531 -11.160 -11.160
   64   2HB   SER  12          3HB       SER  12  -7.457 -11.391 -11.391
   65    HG   SER  12           HG       SER  12  -7.816  -9.525  -9.525
   66    H    SER  13           HN       SER  13  -6.662  -8.022  -8.022
   67    HA   SER  13           HA       SER  13  -6.364  -5.800  -5.800
   68   1HB   SER  13          2HB       SER  13  -8.439  -5.029  -5.029
   69   2HB   SER  13          3HB       SER  13  -6.798  -5.192  -5.192
   70    HG   SER  13           HG       SER  13  -7.401  -6.829  -6.829
   71    H    SER  14           HN       SER  14  -8.664  -8.363  -8.363
   72    HA   SER  14           HA       SER  14 -10.672  -6.739  -6.739
   73   1HB   SER  14          2HB       SER  14 -11.245  -8.812  -8.812
   74   2HB   SER  14          3HB       SER  14 -10.314  -9.767  -9.767
   75    HG   SER  14           HG       SER  14 -12.523  -8.094  -8.094
   76    H    ASP  15           HN       ASP  15  -7.815  -8.601  -8.601
   77    HA   ASP  15           HA       ASP  15  -8.587  -8.670  -8.670
   78   1HB   ASP  15          2HB       ASP  15  -6.260  -9.569  -9.569
   79   2HB   ASP  15          3HB       ASP  15  -5.906  -9.231  -9.231
   80    H    VAL  16           HN       VAL  16  -6.313  -6.883  -6.883
   81    HA   VAL  16           HA       VAL  16  -4.878  -5.463  -5.463
   82    HB   VAL  16           HB       VAL  16  -5.893  -4.717  -4.717
   83   1HG1  VAL  16          1HG1      VAL  16  -4.438  -3.106  -3.106
   84   2HG1  VAL  16          2HG1      VAL  16  -3.571  -3.263  -3.263
   85   3HG1  VAL  16          3HG1      VAL  16  -5.232  -2.621  -2.621
   86   1HG2  VAL  16          3HG2      VAL  16  -4.343  -6.734  -6.734
   87   2HG2  VAL  16          1HG2      VAL  16  -3.843  -5.519  -5.519
   88   3HG2  VAL  16          2HG2      VAL  16  -3.091  -5.537  -5.537
   89    H    SER  17           HN       SER  17  -8.085  -4.629  -4.629
   90    HA   SER  17           HA       SER  17  -8.555  -2.231  -2.231
   91   1HB   SER  17          2HB       SER  17 -10.182  -3.772  -3.772
   92   2HB   SER  17          3HB       SER  17 -10.539  -4.519  -4.519
   93    HG   SER  17           HG       SER  17 -12.088  -2.864  -2.864
   94    H    THR  18           HN       THR  18  -9.005  -5.244  -5.244
   95    HA   THR  18           HA       THR  18  -9.844  -4.132  -4.132
   96    HB   THR  18           HB       THR  18  -8.212  -6.541  -6.541
   97    HG1  THR  18           HG1      THR  18 -10.631  -6.250  -6.250
   98   1HG2  THR  18          1HG2      THR  18  -8.238  -5.332  -5.332
   99   2HG2  THR  18          2HG2      THR  18  -8.866  -6.997  -6.997
  100   3HG2  THR  18          3HG2      THR  18  -7.224  -6.648  -6.648
  101    H    ALA  19           HN       ALA  19  -6.384  -4.600  -4.600
  102    HA   ALA  19           HA       ALA  19  -5.318  -3.402  -3.402
  103   1HB   ALA  19          1HB       ALA  19  -4.445  -4.345  -4.345
  104   2HB   ALA  19          2HB       ALA  19  -3.565  -2.878  -2.878
  105   3HB   ALA  19          3HB       ALA  19  -3.562  -4.312  -4.312
  106    H    GLN  20           HN       GLN  20  -6.429  -2.036  -2.036
  107    HA   GLN  20           HA       GLN  20  -5.455   0.509   0.509
  108   1HB   GLN  20          2HB       GLN  20  -8.053  -0.103  -0.103
  109   2HB   GLN  20          3HB       GLN  20  -6.899   1.169   1.169
  110   1HG   GLN  20          2HG       GLN  20  -5.217  -0.474  -0.474
  111   2HG   GLN  20          3HG       GLN  20  -6.240  -1.805  -1.805
  112   1HE2  GLN  20          2HE2      GLN  20  -7.657   0.516   0.516
  113   2HE2  GLN  20          1HE2      GLN  20  -6.991   1.224   1.224
  114    H    ALA  21           HN       ALA  21  -8.768  -0.838  -0.838
  115    HA   ALA  21           HA       ALA  21 -10.092   1.258   1.258
  116   1HB   ALA  21          2HB       ALA  21  -9.880  -1.587  -1.587
  117   2HB   ALA  21          3HB       ALA  21 -10.942  -0.436  -0.436
  118   3HB   ALA  21          1HB       ALA  21 -11.208  -0.790  -0.790
  119    H    ALA  22           HN       ALA  22  -7.371  -0.389  -0.389
  120    HA   ALA  22           HA       ALA  22  -7.655   1.138   1.138
  121   1HB   ALA  22          1HB       ALA  22  -6.577  -1.166  -1.166
  122   2HB   ALA  22          2HB       ALA  22  -5.179  -0.309  -0.309
  123   3HB   ALA  22          3HB       ALA  22  -5.672   0.003   0.003
  124    H    GLY  23           HN       GLY  23  -5.365   1.218   1.218
  125   1HA   GLY  23          1HA       GLY  23  -3.879   3.422   3.422
  126   2HA   GLY  23          2HA       GLY  23  -4.144   2.896   2.896
  127    H    TYR  24           HN       TYR  24  -7.001   3.223   3.223
  128    HA   TYR  24           HA       TYR  24  -7.110   5.981   5.981
  129   1HB   TYR  24          2HB       TYR  24  -8.367   3.742   3.742
  130   2HB   TYR  24          3HB       TYR  24  -9.488   4.110   4.110
  131    HD1  TYR  24           HD2      TYR  24  -8.032   5.439   5.439
  132    HD2  TYR  24           HD1      TYR  24 -11.157   5.788   5.788
  133    HE1  TYR  24           HE2      TYR  24  -9.279   7.047   7.047
  134    HE2  TYR  24           HE1      TYR  24 -12.393   7.393   7.393
  135    HH   TYR  24           HH       TYR  24 -11.599   9.042   9.042
  136    H    LYS  25           HN       LYS  25  -9.210   4.051   4.051
  137    HA   LYS  25           HA       LYS  25 -10.434   6.088   6.088
  138   1HB   LYS  25          2HB       LYS  25 -10.889   3.689   3.689
  139   2HB   LYS  25          3HB       LYS  25  -9.411   3.536   3.536
  140   1HG   LYS  25          2HG       LYS  25 -11.210   3.822   3.822
  141   2HG   LYS  25          3HG       LYS  25 -10.294   5.315   5.315
  142   1HD   LYS  25          2HD       LYS  25 -11.944   6.423   6.423
  143   2HD   LYS  25          3HD       LYS  25 -12.779   4.915   4.915
  144   1HE   LYS  25          2HE       LYS  25 -12.520   6.211   6.211
  145   2HE   LYS  25          3HE       LYS  25 -13.934   6.334   6.334
  146   1HZ   LYS  25          2HZ       LYS  25 -13.686   3.749   3.749
  147   2HZ   LYS  25          3HZ       LYS  25 -12.940   4.044   4.044
  148   3HZ   LYS  25          1HZ       LYS  25 -14.477   4.540   4.540
  149    H    LEU  26           HN       LEU  26  -7.225   4.678   4.678
  150    HA   LEU  26           HA       LEU  26  -6.790   6.521   6.521
  151   1HB   LEU  26          2HB       LEU  26  -5.582   4.543   4.543
  152   2HB   LEU  26          3HB       LEU  26  -5.083   4.636   4.636
  153    HG   LEU  26           HG       LEU  26  -3.526   6.439   6.439
  154   1HD1  LEU  26          1HD1      LEU  26  -5.008   6.503   6.503
  155   2HD1  LEU  26          2HD1      LEU  26  -3.240   6.647   6.647
  156   3HD1  LEU  26          3HD1      LEU  26  -4.141   7.794   7.794
  157   1HD2  LEU  26          1HD2      LEU  26  -2.807   4.079   4.079
  158   2HD2  LEU  26          2HD2      LEU  26  -1.903   5.191   5.191
  159   3HD2  LEU  26          3HD2      LEU  26  -3.181   4.157   4.157
  160    H    HIS  27           HN       HIS  27  -6.217   6.596   6.596
  161    HA   HIS  27           HA       HIS  27  -4.528   8.835   8.835
  162   1HB   HIS  27          2HB       HIS  27  -4.500   7.451   7.451
  163   2HB   HIS  27          3HB       HIS  27  -6.240   7.522   7.522
  164    HD1  HIS  27           HD1      HIS  27  -3.437  10.159  10.159
  165    HD2  HIS  27           HD2      HIS  27  -6.881   9.142   9.142
  166    HE1  HIS  27           HE1      HIS  27  -3.652  11.896  11.896
  167    HE2  HIS  27           HE2      HIS  27  -5.755  11.188  11.188
  168    H    GLU  28           HN       GLU  28  -8.102   8.430   8.430
  169    HA   GLU  28           HA       GLU  28  -8.598  11.124  11.124
  170   1HB   GLU  28          2HB       GLU  28 -10.810   9.839   9.839
  171   2HB   GLU  28          3HB       GLU  28 -10.696  10.339  10.339
  172   1HG   GLU  28          2HG       GLU  28  -9.418   8.220   8.220
  173   2HG   GLU  28          3HG       GLU  28  -9.639   7.715   7.715
  174    H    ASP  29           HN       ASP  29  -7.839   9.292   9.292
  175    HA   ASP  29           HA       ASP  29  -8.969  11.245  11.245
  176   1HB   ASP  29          2HB       ASP  29  -7.079   8.900   8.900
  177   2HB   ASP  29          3HB       ASP  29  -7.802   9.871   9.871
  178    H    GLY  30           HN       GLY  30  -5.978  10.622  10.622
  179   1HA   GLY  30          1HA       GLY  30  -4.139  11.925  11.925
  180   2HA   GLY  30          2HA       GLY  30  -4.800  13.065  13.065
  181    H    GLU  31           HN       GLU  31  -4.630   9.637   9.637
  182    HA   GLU  31           HA       GLU  31  -2.582  10.364  10.364
  183   1HB   GLU  31          2HB       GLU  31  -4.817   8.356   8.356
  184   2HB   GLU  31          3HB       GLU  31  -3.389   7.938   7.938
  185   1HG   GLU  31          2HG       GLU  31  -4.803  10.620  10.620
  186   2HG   GLU  31          3HG       GLU  31  -5.265   9.205   9.205
  187    H    THR  32           HN       THR  32  -1.230   8.176   8.176
  188    HA   THR  32           HA       THR  32  -0.374   6.939   6.939
  189    HB   THR  32           HB       THR  32   1.962   7.298   7.298
  190    HG1  THR  32           HG1      THR  32   2.273   7.781   7.781
  191   1HG2  THR  32          2HG2      THR  32   0.188   9.774   9.774
  192   2HG2  THR  32          3HG2      THR  32   1.963   9.868   9.868
  193   3HG2  THR  32          1HG2      THR  32   1.193   9.284   9.284
  194    H    VAL  33           HN       VAL  33   1.395   5.115   5.115
  195    HA   VAL  33           HA       VAL  33   0.206   3.688   3.688
  196    HB   VAL  33           HB       VAL  33   0.033   1.660   1.660
  197   1HG1  VAL  33          1HG1      VAL  33  -1.568   3.943   3.943
  198   2HG1  VAL  33          2HG1      VAL  33  -1.374   3.172   3.172
  199   3HG1  VAL  33          3HG1      VAL  33  -2.021   2.236   2.236
  200   1HG2  VAL  33          2HG2      VAL  33   1.114   3.255   3.255
  201   2HG2  VAL  33          3HG2      VAL  33   1.905   1.892   1.892
  202   3HG2  VAL  33          1HG2      VAL  33   0.421   1.620   1.620
  203    H    GLY  34           HN       GLY  34   1.726   2.761   2.761
  204   1HA   GLY  34          1HA       GLY  34   3.722   1.968   1.968
  205   2HA   GLY  34          2HA       GLY  34   4.249   1.862   1.862
  206    H    SER  35           HN       SER  35   6.348   2.727   2.727
  207    HA   SER  35           HA       SER  35   6.370   5.422   5.422
  208   1HB   SER  35          2HB       SER  35   8.806   5.100   5.100
  209   2HB   SER  35          3HB       SER  35   7.936   3.792   3.792
  210    HG   SER  35           HG       SER  35   8.287   2.508   2.508
  211    H    ASN  36           HN       ASN  36   5.571   4.338   4.338
  212    HA   ASN  36           HA       ASN  36   7.535   5.835   5.835
  213   1HB   ASN  36          2HB       ASN  36   5.722   3.547   3.547
  214   2HB   ASN  36          3HB       ASN  36   5.682   4.751   4.751
  215   1HD2  ASN  36          2HD2      ASN  36   8.310   2.672   2.672
  216   2HD2  ASN  36          1HD2      ASN  36   6.591   2.874   2.874
  217    H    SER  37           HN       SER  37   5.873   6.534   6.534
  218    HA   SER  37           HA       SER  37   3.888   8.246   8.246
  219   1HB   SER  37          2HB       SER  37   4.543  10.091  10.091
  220   2HB   SER  37          3HB       SER  37   6.082   9.332   9.332
  221    HG   SER  37           HG       SER  37   5.060   9.887   9.887
  222    H    TYR  38           HN       TYR  38   3.296   5.635   5.635
  223    HA   TYR  38           HA       TYR  38   2.140   6.042   6.042
  224   1HB   TYR  38          2HB       TYR  38   2.478   3.677   3.677
  225   2HB   TYR  38          3HB       TYR  38   1.719   3.510   3.510
  226    HD1  TYR  38           HD2      TYR  38   4.757   5.511   5.511
  227    HD2  TYR  38           HD1      TYR  38   3.189   2.064   2.064
  228    HE1  TYR  38           HE2      TYR  38   7.029   5.078   5.078
  229    HE2  TYR  38           HE1      TYR  38   5.467   1.643   1.643
  230    HH   TYR  38           HH       TYR  38   8.092   3.955   3.955
  231    HA   PRO  39           HA       PRO  39   0.741   5.103   5.103
  232   1HB   PRO  39          2HB       PRO  39  -1.351   6.114   6.114
  233   2HB   PRO  39          3HB       PRO  39  -1.285   4.455   4.455
  234   1HG   PRO  39          2HG       PRO  39  -2.891   6.701   6.701
  235   2HG   PRO  39          3HG       PRO  39  -3.113   4.981   4.981
  236   1HD   PRO  39          2HD       PRO  39  -1.999   6.855   6.855
  237   2HD   PRO  39          3HD       PRO  39  -2.116   5.117   5.117
  238    H    HIS  40           HN       HIS  40   0.620   6.617   6.617
  239    HA   HIS  40           HA       HIS  40   0.737   9.332   9.332
  240   1HB   HIS  40          2HB       HIS  40   3.080   9.838   9.838
  241   2HB   HIS  40          3HB       HIS  40   2.621   8.823   8.823
  242    HD1  HIS  40           HD1      HIS  40   4.472   8.639   8.639
  243    HD2  HIS  40           HD2      HIS  40   4.010   6.428   6.428
  244    HE1  HIS  40           HE1      HIS  40   6.199   6.764   6.764
  245    HE2  HIS  40           HE2      HIS  40   5.904   5.472   5.472
  246    H    LYS  41           HN       LYS  41   1.760  10.478  10.478
  247    HA   LYS  41           HA       LYS  41   0.852   9.460   9.460
  248   1HB   LYS  41          2HB       LYS  41   2.091  11.767  11.767
  249   2HB   LYS  41          3HB       LYS  41   3.305  11.084  11.084
  250   1HG   LYS  41          2HG       LYS  41   1.983  11.300  11.300
  251   2HG   LYS  41          3HG       LYS  41   0.499  10.949  10.949
  252   1HD   LYS  41          2HD       LYS  41   0.433  13.284  13.284
  253   2HD   LYS  41          3HD       LYS  41   0.611  13.238  13.238
  254   1HE   LYS  41          2HE       LYS  41   3.175  13.263  13.263
  255   2HE   LYS  41          3HE       LYS  41   2.215  14.723  14.723
  256   1HZ   LYS  41          3HZ       LYS  41   2.325  13.789  13.789
  257   2HZ   LYS  41          1HZ       LYS  41   3.826  14.033  14.033
  258   3HZ   LYS  41          2HZ       LYS  41   2.739  15.251  15.251
  259    H    TYR  42           HN       TYR  42   2.242   8.863   8.863
  260    HA   TYR  42           HA       TYR  42   4.574   7.280   7.280
  261   1HB   TYR  42          2HB       TYR  42   2.733   5.687   5.687
  262   2HB   TYR  42          3HB       TYR  42   1.855   6.288   6.288
  263    HD1  TYR  42           HD2      TYR  42   4.600   4.120   4.120
  264    HD2  TYR  42           HD1      TYR  42   2.450   5.584   5.584
  265    HE1  TYR  42           HE2      TYR  42   5.617   2.290   2.290
  266    HE2  TYR  42           HE1      TYR  42   3.475   3.748   3.748
  267    HH   TYR  42           HH       TYR  42   4.433   1.580   1.580
  268    H    ASN  43           HN       ASN  43   3.359   9.646   9.646
  269    HA   ASN  43           HA       ASN  43   3.148   9.681   9.681
  270   1HB   ASN  43          2HB       ASN  43   5.457  10.810  10.810
  271   2HB   ASN  43          3HB       ASN  43   5.712  10.754  10.754
  272   1HD2  ASN  43          2HD2      ASN  43   2.822  13.171  13.171
  273   2HD2  ASN  43          1HD2      ASN  43   3.544  11.848  11.848
  274    H    ASN  44           HN       ASN  44   3.217   7.473   7.473
  275    HA   ASN  44           HA       ASN  44   5.372   5.837   5.837
  276   1HB   ASN  44          2HB       ASN  44   4.251   4.637   4.637
  277   2HB   ASN  44          3HB       ASN  44   2.953   5.454   5.454
  278   1HD2  ASN  44          2HD2      ASN  44   4.139   6.625   6.625
  279   2HD2  ASN  44          1HD2      ASN  44   5.161   5.688   5.688
  280    H    TYR  45           HN       TYR  45   6.893   5.310   5.310
  281    HA   TYR  45           HA       TYR  45   7.249   7.212   7.212
  282   1HB   TYR  45          2HB       TYR  45   8.738   7.318   7.318
  283   2HB   TYR  45          3HB       TYR  45   9.742   7.477   7.477
  284    HD1  TYR  45           HD1      TYR  45   6.855   8.811   8.811
  285    HD2  TYR  45           HD2      TYR  45   9.830   9.685   9.685
  286    HE1  TYR  45           HE1      TYR  45   6.272  11.283  11.283
  287    HE2  TYR  45           HE2      TYR  45   9.237  12.153  12.153
  288    HH   TYR  45           HH       TYR  45   6.845  13.387  13.387
  289    H    GLU  46           HN       GLU  46   8.735   4.682   4.682
  290    HA   GLU  46           HA       GLU  46  10.710   3.806   3.806
  291   1HB   GLU  46          2HB       GLU  46   8.707   2.099   2.099
  292   2HB   GLU  46          3HB       GLU  46  10.256   1.519   1.519
  293   1HG   GLU  46          2HG       GLU  46   9.648   3.364   3.364
  294   2HG   GLU  46          3HG       GLU  46  10.917   2.166   2.166
  295    H    GLY  47           HN       GLY  47   7.306   3.780   3.780
  296   1HA   GLY  47          1HA       GLY  47   6.830   3.540   3.540
  297   2HA   GLY  47          2HA       GLY  47   7.876   2.134   2.134
  298    H    PHE  48           HN       PHE  48   5.150   3.325   3.325
  299    HA   PHE  48           HA       PHE  48   4.115   0.596   0.596
  300   1HB   PHE  48          2HB       PHE  48   3.650   3.149   3.149
  301   2HB   PHE  48          3HB       PHE  48   2.648   1.728   1.728
  302    HD1  PHE  48           HD2      PHE  48   3.589  -0.320  -0.320
  303    HD2  PHE  48           HD1      PHE  48   5.913   3.213   3.213
  304    HE1  PHE  48           HE2      PHE  48   5.256  -1.249  -1.249
  305    HE2  PHE  48           HE1      PHE  48   7.578   2.284   2.284
  306    HZ   PHE  48           HZ       PHE  48   7.231   0.064   0.064
  307    H    ASP  49           HN       ASP  49   2.181   0.051   0.051
  308    HA   ASP  49           HA       ASP  49   0.932   2.179   2.179
  309   1HB   ASP  49          2HB       ASP  49  -0.010  -0.676  -0.676
  310   2HB   ASP  49          3HB       ASP  49   0.111   0.510   0.510
  311    H    PHE  50           HN       PHE  50  -0.017   3.070   3.070
  312    HA   PHE  50           HA       PHE  50  -1.932   1.423   1.423
  313   1HB   PHE  50          2HB       PHE  50  -1.105   4.385   4.385
  314   2HB   PHE  50          3HB       PHE  50  -2.309   3.739   3.739
  315    HD1  PHE  50           HD1      PHE  50  -0.332   1.041   1.041
  316    HD2  PHE  50           HD2      PHE  50  -0.089   5.042   5.042
  317    HE1  PHE  50           HE1      PHE  50   1.483   0.374   0.374
  318    HE2  PHE  50           HE2      PHE  50   1.725   4.374   4.374
  319    HZ   PHE  50           HZ       PHE  50   2.490   2.048   2.048
  320    H    SER  51           HN       SER  51  -3.858   0.964   0.964
  321    HA   SER  51           HA       SER  51  -4.913   2.699   2.699
  322   1HB   SER  51          2HB       SER  51  -6.772   1.078   1.078
  323   2HB   SER  51          3HB       SER  51  -5.227   0.254   0.254
  324    HG   SER  51           HG       SER  51  -5.632  -0.639  -0.639
  325    H    VAL  52           HN       VAL  52  -4.500   3.876   3.876
  326    HA   VAL  52           HA       VAL  52  -7.280   4.676   4.676
  327    HB   VAL  52           HB       VAL  52  -6.940   4.660   4.660
  328   1HG1  VAL  52          1HG1      VAL  52  -7.519   2.492   2.492
  329   2HG1  VAL  52          2HG1      VAL  52  -5.790   2.070   2.070
  330   3HG1  VAL  52          3HG1      VAL  52  -6.627   2.297   2.297
  331   1HG2  VAL  52          2HG2      VAL  52  -4.051   4.269   4.269
  332   2HG2  VAL  52          3HG2      VAL  52  -4.797   5.368   5.368
  333   3HG2  VAL  52          1HG2      VAL  52  -4.660   3.629   3.629
  334    H    SER  53           HN       SER  53  -7.453   6.880   6.880
  335    HA   SER  53           HA       SER  53  -5.459   8.540   8.540
  336   1HB   SER  53          2HB       SER  53  -8.201   8.991   8.991
  337   2HB   SER  53          3HB       SER  53  -7.139  10.363  10.363
  338    HG   SER  53           HG       SER  53  -8.388  10.131  10.131
  339    H    SER  54           HN       SER  54  -4.305  10.251  10.251
  340    HA   SER  54           HA       SER  54  -3.495   9.375   9.375
  341   1HB   SER  54          2HB       SER  54  -1.729  10.836  10.836
  342   2HB   SER  54          3HB       SER  54  -2.217  10.695  10.695
  343    HG   SER  54           HG       SER  54  -2.564  12.864  12.864
  344    HA   PRO  55           HA       PRO  55  -2.180  11.184  11.184
  345   1HB   PRO  55          2HB       PRO  55  -1.850  11.535  11.535
  346   2HB   PRO  55          3HB       PRO  55  -1.708  12.840  12.840
  347   1HG   PRO  55          2HG       PRO  55  -3.918  12.262  12.262
  348   2HG   PRO  55          3HG       PRO  55  -3.557  13.754  13.754
  349   1HD   PRO  55          2HD       PRO  55  -5.608  11.860  11.860
  350   2HD   PRO  55          3HD       PRO  55  -5.170  13.292  13.292
  351    H    TYR  56           HN       TYR  56  -0.766   9.507   9.507
  352    HA   TYR  56           HA       TYR  56  -2.411   7.180   7.180
  353   1HB   TYR  56          2HB       TYR  56   0.508   7.667   7.667
  354   2HB   TYR  56          3HB       TYR  56  -0.159   6.065   6.065
  355    HD1  TYR  56           HD1      TYR  56  -2.929   6.672   6.672
  356    HD2  TYR  56           HD2      TYR  56   1.070   7.426   7.426
  357    HE1  TYR  56           HE1      TYR  56  -3.711   6.626   6.626
  358    HE2  TYR  56           HE2      TYR  56   0.274   7.377   7.377
  359    HH   TYR  56           HH       TYR  56  -2.134   7.895   7.895
  360    H    TYR  57           HN       TYR  57  -2.423   6.261   6.261
  361    HA   TYR  57           HA       TYR  57  -0.421   7.259   7.259
  362   1HB   TYR  57          2HB       TYR  57  -3.154   5.873   5.873
  363   2HB   TYR  57          3HB       TYR  57  -2.214   6.572   6.572
  364    HD1  TYR  57           HD2      TYR  57  -1.478   8.976   8.976
  365    HD2  TYR  57           HD1      TYR  57  -5.034   7.315   7.315
  366    HE1  TYR  57           HE2      TYR  57  -2.678  11.194  11.194
  367    HE2  TYR  57           HE1      TYR  57  -6.223   9.538   9.538
  368    HH   TYR  57           HH       TYR  57  -4.488  12.389  12.389
  369    H    GLU  58           HN       GLU  58   1.126   5.876   5.876
  370    HA   GLU  58           HA       GLU  58   0.794   3.099   3.099
  371   1HB   GLU  58          2HB       GLU  58   3.216   2.927   2.927
  372   2HB   GLU  58          3HB       GLU  58   2.909   4.129   4.129
  373   1HG   GLU  58          2HG       GLU  58   2.917   5.925   5.925
  374   2HG   GLU  58          3HG       GLU  58   3.249   4.717   4.717
  375    H    TRP  59           HN       TRP  59   0.367   1.479   1.479
  376    HA   TRP  59           HA       TRP  59   0.847   2.025   2.025
  377   1HB   TRP  59          2HB       TRP  59  -1.359   2.779   2.779
  378   2HB   TRP  59          3HB       TRP  59  -1.851   1.545   1.545
  379    HD1  TRP  59           HD1      TRP  59  -2.594  -0.833  -0.833
  380    HE1  TRP  59           HE1      TRP  59  -3.121  -1.765  -1.765
  381    HE3  TRP  59           HE3      TRP  59  -0.543   3.072   3.072
  382    HZ2  TRP  59           HZ2      TRP  59  -2.632  -0.787  -0.787
  383    HZ3  TRP  59           HZ3      TRP  59  -0.610   3.005   3.005
  384    HH2  TRP  59           HH2      TRP  59  -1.609   1.161   1.161
  385    HA   PRO  60           HA       PRO  60   1.995  -2.154  -2.154
  386   1HB   PRO  60          2HB       PRO  60   2.033  -2.875  -2.875
  387   2HB   PRO  60          3HB       PRO  60   3.337  -1.996  -1.996
  388   1HG   PRO  60          2HG       PRO  60   1.276  -0.993  -0.993
  389   2HG   PRO  60          3HG       PRO  60   2.807  -0.262  -0.262
  390   1HD   PRO  60          2HD       PRO  60   0.206   0.505   0.505
  391   2HD   PRO  60          3HD       PRO  60   1.744   1.158   1.158
  392    H    ILE  61           HN       ILE  61   1.339  -4.356  -4.356
  393    HA   ILE  61           HA       ILE  61  -1.488  -4.573  -4.573
  394    HB   ILE  61           HB       ILE  61  -1.310  -4.366  -4.366
  395   1HG1  ILE  61          2HG1      ILE  61  -2.042  -7.106  -7.106
  396   2HG1  ILE  61          3HG1      ILE  61  -3.100  -5.735  -5.735
  397   1HG2  ILE  61          1HG2      ILE  61   1.071  -5.263  -5.263
  398   2HG2  ILE  61          2HG2      ILE  61   0.349  -6.889  -6.889
  399   3HG2  ILE  61          3HG2      ILE  61  -0.025  -5.765  -5.765
  400   1HD1  ILE  61          1HD1      ILE  61  -2.432  -5.866  -5.866
  401   2HD1  ILE  61          2HD1      ILE  61  -1.696  -7.438  -7.438
  402   3HD1  ILE  61          3HD1      ILE  61  -3.444  -7.193  -7.193
  403    H    LEU  62           HN       LEU  62  -1.692  -5.940  -5.940
  404    HA   LEU  62           HA       LEU  62   0.436  -7.819  -7.819
  405   1HB   LEU  62          2HB       LEU  62  -2.062  -7.026  -7.026
  406   2HB   LEU  62          3HB       LEU  62  -0.984  -8.297  -8.297
  407    HG   LEU  62           HG       LEU  62  -0.049  -5.462  -5.462
  408   1HD1  LEU  62          3HD1      LEU  62  -1.814  -5.384  -5.384
  409   2HD1  LEU  62          1HD1      LEU  62  -1.022  -6.680  -6.680
  410   3HD1  LEU  62          2HD1      LEU  62  -0.227  -5.097  -5.097
  411   1HD2  LEU  62          1HD2      LEU  62   1.441  -7.705  -7.705
  412   2HD2  LEU  62          2HD2      LEU  62   1.970  -6.086  -6.086
  413   3HD2  LEU  62          3HD2      LEU  62   1.289  -7.219  -7.219
  414    H    SER  63           HN       SER  63   0.471  -9.871  -9.871
  415    HA   SER  63           HA       SER  63  -1.551 -10.840 -10.840
  416   1HB   SER  63          2HB       SER  63   0.319 -12.721 -12.721
  417   2HB   SER  63          3HB       SER  63  -0.220 -12.767 -12.767
  418    HG   SER  63           HG       SER  63   1.827 -11.994 -11.994
  419    H    SER  64           HN       SER  64  -1.532 -10.412 -10.412
  420    HA   SER  64           HA       SER  64  -3.032 -12.795 -12.795
  421   1HB   SER  64          2HB       SER  64  -1.771 -10.582 -10.582
  422   2HB   SER  64          3HB       SER  64  -3.176 -11.343 -11.343
  423    HG   SER  64           HG       SER  64  -0.653 -12.259 -12.259
  424    H    GLY  65           HN       GLY  65  -3.540  -9.500  -9.500
  425   1HA   GLY  65          1HA       GLY  65  -5.545  -8.624  -8.624
  426   2HA   GLY  65          2HA       GLY  65  -6.422  -9.876  -9.876
  427    H    ASP  66           HN       ASP  66  -3.811  -7.816  -7.816
  428    HA   ASP  66           HA       ASP  66  -5.844  -6.752  -6.752
  429   1HB   ASP  66          2HB       ASP  66  -2.859  -7.251  -7.251
  430   2HB   ASP  66          3HB       ASP  66  -3.767  -6.259  -6.259
  431    H    VAL  67           HN       VAL  67  -4.455  -4.571  -4.571
  432    HA   VAL  67           HA       VAL  67  -3.926  -2.935  -2.935
  433    HB   VAL  67           HB       VAL  67  -5.234  -2.358  -2.358
  434   1HG1  VAL  67          1HG1      VAL  67  -4.138  -0.330  -0.330
  435   2HG1  VAL  67          2HG1      VAL  67  -5.249   0.046   0.046
  436   3HG1  VAL  67          3HG1      VAL  67  -3.617  -0.574  -0.574
  437   1HG2  VAL  67          1HG2      VAL  67  -6.059  -2.537  -2.537
  438   2HG2  VAL  67          2HG2      VAL  67  -6.997  -2.795  -2.795
  439   3HG2  VAL  67          3HG2      VAL  67  -6.717  -1.144  -1.144
  440    H    TYR  68           HN       TYR  68  -1.759  -2.738  -2.738
  441    HA   TYR  68           HA       TYR  68   0.234  -3.295  -3.295
  442   1HB   TYR  68          2HB       TYR  68   0.566  -2.582  -2.582
  443   2HB   TYR  68          3HB       TYR  68  -0.216  -1.042  -1.042
  444    HD1  TYR  68           HD1      TYR  68   2.661  -2.928  -2.928
  445    HD2  TYR  68           HD2      TYR  68   1.221   0.766   0.766
  446    HE1  TYR  68           HE1      TYR  68   4.925  -1.851  -1.851
  447    HE2  TYR  68           HE2      TYR  68   3.490   1.829   1.829
  448    HH   TYR  68           HH       TYR  68   5.960   0.788   0.788
  449    H    SER  69           HN       SER  69   1.358  -2.388  -2.388
  450    HA   SER  69           HA       SER  69   0.689   0.303   0.303
  451   1HB   SER  69          2HB       SER  69  -0.141  -0.184  -0.184
  452   2HB   SER  69          3HB       SER  69  -0.977  -1.317  -1.317
  453    HG   SER  69           HG       SER  69  -0.239  -2.766  -2.766
  454    H    GLY  70           HN       GLY  70   3.058  -0.069  -0.069
  455   1HA   GLY  70          1HA       GLY  70   4.861   0.002   0.002
  456   2HA   GLY  70          2HA       GLY  70   5.106  -1.361  -1.361
  457    H    GLY  71           HN       GLY  71   7.104  -0.703  -0.703
  458   1HA   GLY  71          1HA       GLY  71   6.974   1.738   1.738
  459   2HA   GLY  71          2HA       GLY  71   8.386   1.303   1.303
  460    H    SER  72           HN       SER  72   8.052  -1.645  -1.645
  461    HA   SER  72           HA       SER  72   8.855  -1.628  -1.628
  462   1HB   SER  72          2HB       SER  72  10.410  -3.437  -3.437
  463   2HB   SER  72          3HB       SER  72  10.716  -2.097  -2.097
  464    HG   SER  72           HG       SER  72   9.952  -4.684  -4.684
  465    HA   PRO  73           HA       PRO  73   5.228  -4.297  -4.297
  466   1HB   PRO  73          2HB       PRO  73   4.018  -3.449  -3.449
  467   2HB   PRO  73          3HB       PRO  73   3.679  -2.755  -2.755
  468   1HG   PRO  73          2HG       PRO  73   5.279  -1.630  -1.630
  469   2HG   PRO  73          3HG       PRO  73   4.581  -0.805  -0.805
  470   1HD   PRO  73          2HD       PRO  73   7.335  -1.524  -1.524
  471   2HD   PRO  73          3HD       PRO  73   6.616  -0.805  -0.805
  472    H    GLY  74           HN       GLY  74   7.758  -5.185  -5.185
  473   1HA   GLY  74          1HA       GLY  74   8.630  -6.979  -6.979
  474   2HA   GLY  74          2HA       GLY  74   7.058  -7.316  -7.316
  475    H    ALA  75           HN       ALA  75   6.543  -6.613  -6.613
  476    HA   ALA  75           HA       ALA  75   8.319  -4.776  -4.776
  477   1HB   ALA  75          1HB       ALA  75   8.209  -7.735  -7.735
  478   2HB   ALA  75          2HB       ALA  75   8.723  -6.505  -6.505
  479   3HB   ALA  75          3HB       ALA  75   9.641  -6.730  -6.730
  480    H    ASP  76           HN       ASP  76   5.558  -7.070  -7.070
  481    HA   ASP  76           HA       ASP  76   4.415  -6.259  -6.259
  482   1HB   ASP  76          2HB       ASP  76   2.763  -6.927  -6.927
  483   2HB   ASP  76          3HB       ASP  76   2.429  -7.334  -7.334
  484    H    ARG  77           HN       ARG  77   3.155  -4.436  -4.436
  485    HA   ARG  77           HA       ARG  77   2.049  -2.852  -2.852
  486   1HB   ARG  77          2HB       ARG  77   3.856  -1.491  -1.491
  487   2HB   ARG  77          3HB       ARG  77   3.155  -0.779  -0.779
  488   1HG   ARG  77          2HG       ARG  77   4.839  -3.185  -3.185
  489   2HG   ARG  77          3HG       ARG  77   5.713  -1.819  -1.819
  490   1HD   ARG  77          2HD       ARG  77   4.229  -0.515  -0.515
  491   2HD   ARG  77          3HD       ARG  77   4.346  -2.088  -2.088
  492    HE   ARG  77           HE       ARG  77   6.562  -0.215  -0.215
  493   1HH1  ARG  77           HH2      ARG  77   7.180  -3.890  -3.890
  494   2HH1  ARG  77           HH2      ARG  77   5.648  -3.509  -3.509
  495   1HH2  ARG  77           HH1      ARG  77   8.584  -0.718  -0.718
  496   2HH2  ARG  77           HH1      ARG  77   8.862  -2.291  -2.291
  497    H    VAL  78           HN       VAL  78   0.289  -1.504  -1.504
  498    HA   VAL  78           HA       VAL  78  -0.414  -2.018  -2.018
  499    HB   VAL  78           HB       VAL  78  -2.772  -1.620  -1.620
  500   1HG1  VAL  78          1HG1      VAL  78  -1.164  -4.049  -4.049
  501   2HG1  VAL  78          2HG1      VAL  78  -2.940  -3.968  -3.968
  502   3HG1  VAL  78          3HG1      VAL  78  -2.101  -3.822  -3.822
  503   1HG2  VAL  78          1HG2      VAL  78  -1.660  -0.758  -0.758
  504   2HG2  VAL  78          2HG2      VAL  78  -3.262  -1.533  -1.533
  505   3HG2  VAL  78          3HG2      VAL  78  -1.828  -2.477  -2.477
  506    H    VAL  79           HN       VAL  79  -1.005  -0.279  -0.279
  507    HA   VAL  79           HA       VAL  79  -0.700   2.348   2.348
  508    HB   VAL  79           HB       VAL  79  -0.003   1.408   1.408
  509   1HG1  VAL  79          2HG1      VAL  79  -0.955   3.895   3.895
  510   2HG1  VAL  79          3HG1      VAL  79   0.787   4.131   4.131
  511   3HG1  VAL  79          1HG1      VAL  79   0.209   3.538   3.538
  512   1HG2  VAL  79          3HG2      VAL  79   1.601   2.122   2.122
  513   2HG2  VAL  79          1HG2      VAL  79   1.760   0.725   0.725
  514   3HG2  VAL  79          2HG2      VAL  79   2.293   2.336   2.336
  515    H    PHE  80           HN       PHE  80  -2.295   3.890   3.890
  516    HA   PHE  80           HA       PHE  80  -4.351   3.317   3.317
  517   1HB   PHE  80          2HB       PHE  80  -6.116   3.428   3.428
  518   2HB   PHE  80          3HB       PHE  80  -4.980   2.173   2.173
  519    HD1  PHE  80           HD2      PHE  80  -2.990   3.016   3.016
  520    HD2  PHE  80           HD1      PHE  80  -6.745   4.955   4.955
  521    HE1  PHE  80           HE2      PHE  80  -2.651   4.124   4.124
  522    HE2  PHE  80           HE1      PHE  80  -6.405   6.063   6.063
  523    HZ   PHE  80           HZ       PHE  80  -4.361   5.634   5.634
  524    H    ASN  81           HN       ASN  81  -6.225   5.247   5.247
  525    HA   ASN  81           HA       ASN  81  -4.612   7.656   7.656
  526   1HB   ASN  81          2HB       ASN  81  -7.175   7.770   7.770
  527   2HB   ASN  81          3HB       ASN  81  -5.678   8.644   8.644
  528   1HD2  ASN  81          2HD2      ASN  81  -6.229   4.821   4.821
  529   2HD2  ASN  81          1HD2      ASN  81  -7.148   5.426   5.426
  530    H    GLU  82           HN       GLU  82  -6.704   9.545   9.545
  531    HA   GLU  82           HA       GLU  82  -7.901   8.844   8.844
  532   1HB   GLU  82          2HB       GLU  82  -6.914  11.022  11.022
  533   2HB   GLU  82          3HB       GLU  82  -7.656  11.416  11.416
  534   1HG   GLU  82          2HG       GLU  82  -8.761  12.507  12.507
  535   2HG   GLU  82          3HG       GLU  82  -9.853  11.600  11.600
  536    H    ASN  83           HN       ASN  83  -8.714   7.880   7.880
  537    HA   ASN  83           HA       ASN  83 -11.474   8.771   8.771
  538   1HB   ASN  83          2HB       ASN  83 -11.192   7.119   7.119
  539   2HB   ASN  83          3HB       ASN  83 -11.149   8.871   8.871
  540   1HD2  ASN  83          2HD2      ASN  83  -7.791   6.593   6.593
  541   2HD2  ASN  83          1HD2      ASN  83  -9.339   5.930   5.930
  542    H    ASN  84           HN       ASN  84  -9.275   6.081   6.081
  543    HA   ASN  84           HA       ASN  84  -9.914   4.337   4.337
  544   1HB   ASN  84          2HB       ASN  84 -12.120   3.468   3.468
  545   2HB   ASN  84          3HB       ASN  84 -12.409   5.168   5.168
  546   1HD2  ASN  84          1HD2      ASN  84 -11.333   4.851   4.851
  547   2HD2  ASN  84          2HD2      ASN  84 -12.609   4.142   4.142
  548    H    GLN  85           HN       GLN  85  -8.776   4.822   4.822
  549    HA   GLN  85           HA       GLN  85  -9.394   2.234   2.234
  550   1HB   GLN  85          2HB       GLN  85  -8.145   4.734   4.734
  551   2HB   GLN  85          3HB       GLN  85  -8.325   3.215   3.215
  552   1HG   GLN  85          2HG       GLN  85 -10.765   3.306   3.306
  553   2HG   GLN  85          3HG       GLN  85 -10.670   4.698   4.698
  554   1HE2  GLN  85          2HE2      GLN  85  -9.615   6.993   6.993
  555   2HE2  GLN  85          1HE2      GLN  85  -9.237   6.526   6.526
  556    H    LEU  86           HN       LEU  86  -7.802   0.662   0.662
  557    HA   LEU  86           HA       LEU  86  -5.342   1.197   1.197
  558   1HB   LEU  86          2HB       LEU  86  -5.446  -0.940  -0.940
  559   2HB   LEU  86          3HB       LEU  86  -7.022  -0.977  -0.977
  560    HG   LEU  86           HG       LEU  86  -5.039  -1.300  -1.300
  561   1HD1  LEU  86          3HD1      LEU  86  -3.807  -2.077  -2.077
  562   2HD1  LEU  86          1HD1      LEU  86  -4.736  -3.563  -3.563
  563   3HD1  LEU  86          2HD1      LEU  86  -3.616  -2.939  -2.939
  564   1HD2  LEU  86          3HD2      LEU  86  -7.349  -2.814  -2.814
  565   2HD2  LEU  86          1HD2      LEU  86  -7.049  -2.233  -2.233
  566   3HD2  LEU  86          2HD2      LEU  86  -6.210  -3.684  -3.684
  567    H    ALA  87           HN       ALA  87  -3.351   1.526   1.526
  568    HA   ALA  87           HA       ALA  87  -3.269   2.067   2.067
  569   1HB   ALA  87          2HB       ALA  87  -1.849   2.809   2.809
  570   2HB   ALA  87          3HB       ALA  87  -0.680   1.903   1.903
  571   3HB   ALA  87          1HB       ALA  87  -1.513   3.319   3.319
  572    H    GLY  88           HN       GLY  88  -2.161  -0.550  -0.550
  573   1HA   GLY  88          1HA       GLY  88  -2.294  -2.583  -2.583
  574   2HA   GLY  88          2HA       GLY  88  -0.678  -1.933  -1.933
  575    H    VAL  89           HN       VAL  89   0.620  -3.467  -3.467
  576    HA   VAL  89           HA       VAL  89   0.317  -3.728  -3.728
  577    HB   VAL  89           HB       VAL  89   0.254  -6.081  -6.081
  578   1HG1  VAL  89          2HG1      VAL  89   1.530  -5.962  -5.962
  579   2HG1  VAL  89          3HG1      VAL  89  -0.042  -6.725  -6.725
  580   3HG1  VAL  89          1HG1      VAL  89   1.043  -7.428  -7.428
  581   1HG2  VAL  89          2HG2      VAL  89  -1.753  -4.786  -4.786
  582   2HG2  VAL  89          3HG2      VAL  89  -1.954  -5.426  -5.426
  583   3HG2  VAL  89          1HG2      VAL  89  -1.826  -6.544  -6.544
  584    H    ILE  90           HN       ILE  90   2.244  -2.518  -2.518
  585    HA   ILE  90           HA       ILE  90   4.557  -3.470  -3.470
  586    HB   ILE  90           HB       ILE  90   5.665  -1.536  -1.536
  587   1HG1  ILE  90          2HG1      ILE  90   3.295  -1.433  -1.433
  588   2HG1  ILE  90          3HG1      ILE  90   5.000  -1.253  -1.253
  589   1HG2  ILE  90          2HG2      ILE  90   3.892  -1.455  -1.455
  590   2HG2  ILE  90          3HG2      ILE  90   2.967  -0.476  -0.476
  591   3HG2  ILE  90          1HG2      ILE  90   4.589   0.048   0.048
  592   1HD1  ILE  90          3HD1      ILE  90   3.812   0.798   0.798
  593   2HD1  ILE  90          1HD1      ILE  90   3.313   0.857   0.857
  594   3HD1  ILE  90          2HD1      ILE  90   5.036   0.990   0.990
  595    H    THR  91           HN       THR  91   6.666  -3.727  -3.727
  596    HA   THR  91           HA       THR  91   6.376  -4.601  -4.601
  597    HB   THR  91           HB       THR  91   5.521  -6.655  -6.655
  598    HG1  THR  91           HG1      THR  91   7.320  -7.667  -7.667
  599   1HG2  THR  91          2HG2      THR  91   7.454  -6.486  -6.486
  600   2HG2  THR  91          3HG2      THR  91   6.259  -7.773  -7.773
  601   3HG2  THR  91          1HG2      THR  91   5.715  -6.124  -6.124
  602    H    HIS  92           HN       HIS  92   8.397  -4.977  -4.977
  603    HA   HIS  92           HA       HIS  92  10.478  -3.488  -3.488
  604   1HB   HIS  92          2HB       HIS  92  10.171  -4.967  -4.967
  605   2HB   HIS  92          3HB       HIS  92  11.716  -4.293  -4.293
  606    HD1  HIS  92           HD1      HIS  92  11.938  -2.320  -2.320
  607    HD2  HIS  92           HD2      HIS  92   8.210  -2.444  -2.444
  608    HE1  HIS  92           HE1      HIS  92  10.749  -0.145  -0.145
  609    HE2  HIS  92           HE2      HIS  92   8.488  -0.254  -0.254
  610    H    THR  93           HN       THR  93   9.443  -6.200  -6.200
  611    HA   THR  93           HA       THR  93  11.465  -8.105  -8.105
  612    HB   THR  93           HB       THR  93   9.560  -7.514  -7.514
  613    HG1  THR  93           HG1      THR  93   8.193  -8.115  -8.115
  614   1HG2  THR  93          2HG2      THR  93  11.599  -9.517  -9.517
  615   2HG2  THR  93          3HG2      THR  93  10.043 -10.316 -10.316
  616   3HG2  THR  93          1HG2      THR  93  10.297  -9.463  -9.463
  617    H    GLY  94           HN       GLY  94  11.468  -7.847  -7.847
  618   1HA   GLY  94          1HA       GLY  94  14.217  -7.167  -7.167
  619   2HA   GLY  94          2HA       GLY  94  13.134  -7.427  -7.427
  620    H    ALA  95           HN       ALA  95  13.134  -4.997  -4.997
  621    HA   ALA  95           HA       ALA  95  12.500  -2.924  -2.924
  622   1HB   ALA  95          3HB       ALA  95  11.504  -3.150  -3.150
  623   2HB   ALA  95          1HB       ALA  95  13.100  -2.724  -2.724
  624   3HB   ALA  95          2HB       ALA  95  12.213  -1.555  -1.555
  625    H    SER  96           HN       SER  96  15.313  -4.203  -4.203
  626    HA   SER  96           HA       SER  96  17.444  -3.876  -3.876
  627   1HB   SER  96          2HB       SER  96  16.653  -3.089  -3.089
  628   2HB   SER  96          3HB       SER  96  16.865  -1.459  -1.459
  629    HG   SER  96           HG       SER  96  19.023  -3.268  -3.268
  630    H    GLY  97           HN       GLY  97  15.948  -2.758  -2.758
  631   1HA   GLY  97          1HA       GLY  97  17.562  -1.402  -1.402
  632   2HA   GLY  97          2HA       GLY  97  17.129  -0.102  -0.102
  633    H    ASN  98           HN       ASN  98  15.771   1.226   1.226
  634    HA   ASN  98           HA       ASN  98  13.761  -0.046  -0.046
  635   1HB   ASN  98          2HB       ASN  98  14.986   1.789   1.789
  636   2HB   ASN  98          3HB       ASN  98  14.700   2.848   2.848
  637   1HD2  ASN  98          2HD2      ASN  98  11.227   1.777   1.777
  638   2HD2  ASN  98          1HD2      ASN  98  12.335   0.610   0.610
  639    H    ASN  99           HN       ASN  99  14.033   0.539   0.539
  640    HA   ASN  99           HA       ASN  99  11.910   2.262   2.262
  641   1HB   ASN  99          2HB       ASN  99  12.557   0.090   0.090
  642   2HB   ASN  99          3HB       ASN  99  12.440   1.819   1.819
  643   1HD2  ASN  99          2HD2      ASN  99  15.968   0.012   0.012
  644   2HD2  ASN  99          1HD2      ASN  99  14.434  -0.785  -0.785
  645    H    PHE 100           HN       PHE 100  10.373   0.771   0.771
  646    HA   PHE 100           HA       PHE 100   9.256  -1.458  -1.458
  647   1HB   PHE 100          2HB       PHE 100   7.929   1.136   1.136
  648   2HB   PHE 100          3HB       PHE 100   6.963  -0.313  -0.313
  649    HD1  PHE 100           HD2      PHE 100   7.320  -1.535  -1.535
  650    HD2  PHE 100           HD1      PHE 100   8.033   2.580   2.580
  651    HE1  PHE 100           HE2      PHE 100   7.047  -1.041  -1.041
  652    HE2  PHE 100           HE1      PHE 100   7.761   3.074   3.074
  653    HZ   PHE 100           HZ       PHE 100   7.272   1.257   1.257
  654    H    VAL 101           HN       VAL 101   7.566  -2.659  -2.659
  655    HA   VAL 101           HA       VAL 101   7.649  -2.210  -2.210
  656    HB   VAL 101           HB       VAL 101   8.753  -4.330  -4.330
  657   1HG1  VAL 101          3HG1      VAL 101   9.953  -2.097  -2.097
  658   2HG1  VAL 101          1HG1      VAL 101  10.619  -2.601  -2.601
  659   3HG1  VAL 101          2HG1      VAL 101  10.993  -3.538  -3.538
  660   1HG2  VAL 101          1HG2      VAL 101   8.393  -5.511  -5.511
  661   2HG2  VAL 101          2HG2      VAL 101  10.105  -5.531  -5.531
  662   3HG2  VAL 101          3HG2      VAL 101   9.558  -4.423  -4.423
  663    H    GLU 102           HN       GLU 102   5.838  -3.111  -3.111
  664    HA   GLU 102           HA       GLU 102   3.840  -4.006  -4.006
  665   1HB   GLU 102          2HB       GLU 102   3.774  -4.912  -4.912
  666   2HB   GLU 102          3HB       GLU 102   2.552  -4.068  -4.068
  667   1HG   GLU 102          2HG       GLU 102   4.282  -2.056  -2.056
  668   2HG   GLU 102          3HG       GLU 102   4.980  -2.924  -2.924
  669    H    CYS 103           HN       CYS 103   3.349  -5.961  -5.961
  670    HA   CYS 103           HA       CYS 103   5.135  -8.045  -8.045
  671   1HB   CYS 103          2HB       CYS 103   2.174  -8.158  -8.158
  672   2HB   CYS 103          3HB       CYS 103   3.358  -9.371  -9.371
  673    H    THR 104           HN       THR 104   3.596 -10.409 -10.409
  674    HA   THR 104           HA       THR 104   3.327 -10.227 -10.227
  675    HB   THR 104           HB       THR 104   4.071 -12.588 -12.588
  676    HG1  THR 104           HG1      THR 104   4.695 -13.286 -13.286
  677   1HG2  THR 104          1HG2      THR 104   5.773 -10.533 -10.533
  678   2HG2  THR 104          2HG2      THR 104   5.923 -11.445 -11.445
  679   3HG2  THR 104          3HG2      THR 104   6.313 -12.228 -12.228

  Start of MODEL    3
    1    H    ALA   1           HN       ALA   1  -7.042 -16.838 -16.838
    2    HA   ALA   1           HA       ALA   1  -6.494 -16.166 -16.166
    3   1HB   ALA   1          2HB       ALA   1  -9.115 -15.675 -15.675
    4   2HB   ALA   1          3HB       ALA   1  -8.305 -14.111 -14.111
    5   3HB   ALA   1          1HB       ALA   1  -8.268 -14.881 -14.881
    6    H    CYS   2           HN       CYS   2  -4.489 -15.337 -15.337
    7    HA   CYS   2           HA       CYS   2  -4.091 -13.711 -13.711
    8   1HB   CYS   2          2HB       CYS   2  -1.632 -14.324 -14.324
    9   2HB   CYS   2          3HB       CYS   2  -2.166 -14.751 -14.751
   10    H    ASP   3           HN       ASP   3  -5.452 -12.184 -12.184
   11    HA   ASP   3           HA       ASP   3  -4.621 -11.168 -11.168
   12   1HB   ASP   3          2HB       ASP   3  -5.423  -9.470  -9.470
   13   2HB   ASP   3          3HB       ASP   3  -5.535  -8.965  -8.965
   14    H    TYR   4           HN       TYR   4  -3.050 -10.834 -10.834
   15    HA   TYR   4           HA       TYR   4  -0.823  -9.454  -9.454
   16   1HB   TYR   4          2HB       TYR   4  -2.129  -8.812  -8.812
   17   2HB   TYR   4          3HB       TYR   4  -0.749  -7.966  -7.966
   18    HD1  TYR   4           HD2      TYR   4  -1.065  -6.585  -6.585
   19    HD2  TYR   4           HD1      TYR   4  -4.352  -8.178  -8.178
   20    HE1  TYR   4           HE2      TYR   4  -2.636  -4.926  -4.926
   21    HE2  TYR   4           HE1      TYR   4  -5.912  -6.515  -6.515
   22    HH   TYR   4           HH       TYR   4  -4.862  -4.592  -4.592
   23    H    THR   5           HN       THR   5   0.805 -10.924 -10.924
   24    HA   THR   5           HA       THR   5   1.117 -12.242 -12.242
   25    HB   THR   5           HB       THR   5   1.307 -13.238 -13.238
   26    HG1  THR   5           HG1      THR   5   0.586 -14.476 -14.476
   27   1HG2  THR   5          3HG2      THR   5   3.248 -13.831 -13.831
   28   2HG2  THR   5          1HG2      THR   5   2.281 -15.272 -15.272
   29   3HG2  THR   5          2HG2      THR   5   3.203 -14.439 -14.439
   30    H    CYS   6           HN       CYS   6   2.646 -11.153 -11.153
   31    HA   CYS   6           HA       CYS   6   4.765  -9.878  -9.878
   32   1HB   CYS   6          2HB       CYS   6   3.952 -10.066 -10.066
   33   2HB   CYS   6          3HB       CYS   6   5.561  -9.509  -9.509
   34    H    GLY   7           HN       GLY   7   5.299 -12.157 -12.157
   35   1HA   GLY   7          1HA       GLY   7   7.084 -13.580 -13.580
   36   2HA   GLY   7          2HA       GLY   7   7.555 -13.215 -13.215
   37    H    SER   8           HN       SER   8   5.230 -13.776 -13.776
   38    HA   SER   8           HA       SER   8   4.247 -16.324 -16.324
   39   1HB   SER   8          2HB       SER   8   5.312 -17.711 -17.711
   40   2HB   SER   8          3HB       SER   8   6.614 -16.584 -16.584
   41    HG   SER   8           HG       SER   8   6.138 -15.454 -15.454
   42    H    ASN   9           HN       ASN   9   2.801 -14.039 -14.039
   43    HA   ASN   9           HA       ASN   9   1.589 -14.408 -14.408
   44   1HB   ASN   9          2HB       ASN   9   1.602 -11.829 -11.829
   45   2HB   ASN   9          3HB       ASN   9   0.972 -12.014 -12.014
   46   1HD2  ASN   9          2HD2      ASN   9   5.075 -12.162 -12.162
   47   2HD2  ASN   9          1HD2      ASN   9   3.945 -12.728 -12.728
   48    H    CYS  10           HN       CYS  10  -0.736 -12.796 -12.796
   49    HA   CYS  10           HA       CYS  10  -1.889 -13.311 -13.311
   50   1HB   CYS  10          2HB       CYS  10  -1.857 -15.644 -15.644
   51   2HB   CYS  10          3HB       CYS  10  -2.810 -15.166 -15.166
   52    H    TYR  11           HN       TYR  11  -2.099 -10.969 -10.969
   53    HA   TYR  11           HA       TYR  11  -3.952 -10.422 -10.422
   54   1HB   TYR  11          2HB       TYR  11  -2.727  -8.521  -8.521
   55   2HB   TYR  11          3HB       TYR  11  -3.194  -8.131  -8.131
   56    HD1  TYR  11           HD1      TYR  11  -1.842  -9.287  -9.287
   57    HD2  TYR  11           HD2      TYR  11  -0.492  -9.029  -9.029
   58    HE1  TYR  11           HE1      TYR  11   0.551  -9.674  -9.674
   59    HE2  TYR  11           HE2      TYR  11   1.897  -9.417  -9.417
   60    HH   TYR  11           HH       TYR  11   3.192  -9.073  -9.073
   61    H    SER  12           HN       SER  12  -5.323 -11.936 -11.936
   62    HA   SER  12           HA       SER  12  -6.397 -11.155 -11.155
   63   1HB   SER  12          2HB       SER  12  -8.168 -12.505 -12.505
   64   2HB   SER  12          3HB       SER  12  -7.236 -12.835 -12.835
   65    HG   SER  12           HG       SER  12  -8.431 -10.955 -10.955
   66    H    SER  13           HN       SER  13  -8.181  -9.762  -9.762
   67    HA   SER  13           HA       SER  13  -7.952  -7.193  -7.193
   68   1HB   SER  13          2HB       SER  13  -9.970  -6.850  -6.850
   69   2HB   SER  13          3HB       SER  13  -9.461  -8.434  -8.434
   70    HG   SER  13           HG       SER  13 -11.713  -8.425  -8.425
   71    H    SER  14           HN       SER  14  -9.431  -9.591  -9.591
   72    HA   SER  14           HA       SER  14 -10.918  -7.681  -7.681
   73   1HB   SER  14          2HB       SER  14 -11.645 -10.054 -10.054
   74   2HB   SER  14          3HB       SER  14 -10.207 -10.585 -10.585
   75    HG   SER  14           HG       SER  14 -12.110 -10.435 -10.435
   76    H    ASP  15           HN       ASP  15  -7.671  -9.050  -9.050
   77    HA   ASP  15           HA       ASP  15  -7.148  -8.391  -8.391
   78   1HB   ASP  15          2HB       ASP  15  -5.711  -9.627  -9.627
   79   2HB   ASP  15          3HB       ASP  15  -4.675  -8.693  -8.693
   80    H    VAL  16           HN       VAL  16  -7.096  -6.847  -6.847
   81    HA   VAL  16           HA       VAL  16  -5.120  -4.884  -4.884
   82    HB   VAL  16           HB       VAL  16  -7.122  -5.254  -5.254
   83   1HG1  VAL  16          3HG1      VAL  16  -5.714  -2.823  -2.823
   84   2HG1  VAL  16          1HG1      VAL  16  -5.286  -3.341  -3.341
   85   3HG1  VAL  16          2HG1      VAL  16  -6.991  -3.061  -3.061
   86   1HG2  VAL  16          3HG2      VAL  16  -4.310  -5.984  -5.984
   87   2HG2  VAL  16          1HG2      VAL  16  -5.498  -6.664  -6.664
   88   3HG2  VAL  16          2HG2      VAL  16  -4.597  -5.190  -5.190
   89    H    SER  17           HN       SER  17  -8.630  -4.481  -4.481
   90    HA   SER  17           HA       SER  17  -8.972  -2.009  -2.009
   91   1HB   SER  17          2HB       SER  17 -10.679  -3.648  -3.648
   92   2HB   SER  17          3HB       SER  17 -11.001  -4.195  -4.195
   93    HG   SER  17           HG       SER  17 -11.050  -1.412  -1.412
   94    H    THR  18           HN       THR  18  -9.338  -5.000  -5.000
   95    HA   THR  18           HA       THR  18  -9.971  -3.825  -3.825
   96    HB   THR  18           HB       THR  18  -8.533  -6.324  -6.324
   97    HG1  THR  18           HG1      THR  18 -10.551  -7.067  -7.067
   98   1HG2  THR  18          1HG2      THR  18  -8.626  -5.215  -5.215
   99   2HG2  THR  18          2HG2      THR  18  -8.784  -6.966  -6.966
  100   3HG2  THR  18          3HG2      THR  18  -7.313  -6.112  -6.112
  101    H    ALA  19           HN       ALA  19  -6.656  -4.358  -4.358
  102    HA   ALA  19           HA       ALA  19  -5.322  -3.280  -3.280
  103   1HB   ALA  19          2HB       ALA  19  -4.393  -4.683  -4.683
  104   2HB   ALA  19          3HB       ALA  19  -4.431  -3.210  -3.210
  105   3HB   ALA  19          1HB       ALA  19  -3.407  -3.272  -3.272
  106    H    GLN  20           HN       GLN  20  -6.627  -1.796  -1.796
  107    HA   GLN  20           HA       GLN  20  -5.555   0.715   0.715
  108   1HB   GLN  20          2HB       GLN  20  -8.209   0.234   0.234
  109   2HB   GLN  20          3HB       GLN  20  -7.011   1.462   1.462
  110   1HG   GLN  20          2HG       GLN  20  -5.472  -0.150  -0.150
  111   2HG   GLN  20          3HG       GLN  20  -6.366  -1.503  -1.503
  112   1HE2  GLN  20          2HE2      GLN  20  -8.106   0.625   0.625
  113   2HE2  GLN  20          1HE2      GLN  20  -7.244   1.420   1.420
  114    H    ALA  21           HN       ALA  21  -8.934  -0.499  -0.499
  115    HA   ALA  21           HA       ALA  21 -10.136   1.585   1.585
  116   1HB   ALA  21          1HB       ALA  21 -10.041  -1.304  -1.304
  117   2HB   ALA  21          2HB       ALA  21 -11.106  -0.126  -0.126
  118   3HB   ALA  21          3HB       ALA  21 -11.301  -0.464  -0.464
  119    H    ALA  22           HN       ALA  22  -7.446  -0.243  -0.243
  120    HA   ALA  22           HA       ALA  22  -7.646   1.151   1.151
  121   1HB   ALA  22          3HB       ALA  22  -6.665  -1.192  -1.192
  122   2HB   ALA  22          1HB       ALA  22  -5.218  -0.317  -0.317
  123   3HB   ALA  22          2HB       ALA  22  -5.768  -0.146  -0.146
  124    H    GLY  23           HN       GLY  23  -5.382   1.269   1.269
  125   1HA   GLY  23          1HA       GLY  23  -3.783   3.356   3.356
  126   2HA   GLY  23          2HA       GLY  23  -4.094   2.931   2.931
  127    H    TYR  24           HN       TYR  24  -6.889   3.419   3.419
  128    HA   TYR  24           HA       TYR  24  -6.866   6.227   6.227
  129   1HB   TYR  24          2HB       TYR  24  -8.125   4.277   4.277
  130   2HB   TYR  24          3HB       TYR  24  -9.221   4.250   4.250
  131    HD1  TYR  24           HD1      TYR  24  -8.069   7.566   7.566
  132    HD2  TYR  24           HD2      TYR  24 -10.906   4.631   4.631
  133    HE1  TYR  24           HE1      TYR  24  -9.473   9.387   9.387
  134    HE2  TYR  24           HE2      TYR  24 -12.299   6.462   6.462
  135    HH   TYR  24           HH       TYR  24 -11.642   9.802   9.802
  136    H    LYS  25           HN       LYS  25  -9.035   4.123   4.123
  137    HA   LYS  25           HA       LYS  25 -10.400   5.933   5.933
  138   1HB   LYS  25          2HB       LYS  25 -10.609   3.534   3.534
  139   2HB   LYS  25          3HB       LYS  25  -9.054   3.473   3.473
  140   1HG   LYS  25          2HG       LYS  25 -10.685   3.543   3.543
  141   2HG   LYS  25          3HG       LYS  25  -9.981   5.147   5.147
  142   1HD   LYS  25          2HD       LYS  25 -11.891   6.020   6.020
  143   2HD   LYS  25          3HD       LYS  25 -12.557   4.411   4.411
  144   1HE   LYS  25          2HE       LYS  25 -12.104   5.674   5.674
  145   2HE   LYS  25          3HE       LYS  25 -13.609   5.843   5.843
  146   1HZ   LYS  25          2HZ       LYS  25 -12.644   3.154   3.154
  147   2HZ   LYS  25          3HZ       LYS  25 -13.053   3.828   3.828
  148   3HZ   LYS  25          1HZ       LYS  25 -14.151   3.740   3.740
  149    H    LEU  26           HN       LEU  26  -7.133   4.809   4.809
  150    HA   LEU  26           HA       LEU  26  -6.911   6.754   6.754
  151   1HB   LEU  26          2HB       LEU  26  -5.585   4.769   4.769
  152   2HB   LEU  26          3HB       LEU  26  -4.858   5.155   5.155
  153    HG   LEU  26           HG       LEU  26  -4.143   7.353   7.353
  154   1HD1  LEU  26          2HD1      LEU  26  -5.179   6.344   6.344
  155   2HD1  LEU  26          3HD1      LEU  26  -3.960   5.050   5.050
  156   3HD1  LEU  26          1HD1      LEU  26  -3.450   6.737   6.737
  157   1HD2  LEU  26          2HD2      LEU  26  -2.871   4.882   4.882
  158   2HD2  LEU  26          3HD2      LEU  26  -2.320   6.571   6.571
  159   3HD2  LEU  26          1HD2      LEU  26  -2.039   5.636   5.636
  160    H    HIS  27           HN       HIS  27  -6.114   6.776   6.776
  161    HA   HIS  27           HA       HIS  27  -4.682   9.177   9.177
  162   1HB   HIS  27          2HB       HIS  27  -4.460   7.678   7.678
  163   2HB   HIS  27          3HB       HIS  27  -6.179   7.715   7.715
  164    HD1  HIS  27           HD1      HIS  27  -3.380  10.349  10.349
  165    HD2  HIS  27           HD2      HIS  27  -6.728   9.337   9.337
  166    HE1  HIS  27           HE1      HIS  27  -3.488  12.062  12.062
  167    HE2  HIS  27           HE2      HIS  27  -5.531  11.357  11.357
  168    H    GLU  28           HN       GLU  28  -8.165   8.425   8.425
  169    HA   GLU  28           HA       GLU  28  -8.905  11.024  11.024
  170   1HB   GLU  28          2HB       GLU  28 -11.025   9.556   9.556
  171   2HB   GLU  28          3HB       GLU  28 -10.919  10.044  10.044
  172   1HG   GLU  28          2HG       GLU  28  -9.379   8.064   8.064
  173   2HG   GLU  28          3HG       GLU  28  -9.659   7.550   7.550
  174    H    ASP  29           HN       ASP  29  -8.166   9.386   9.386
  175    HA   ASP  29           HA       ASP  29  -9.497  11.394  11.394
  176   1HB   ASP  29          2HB       ASP  29  -7.904   8.889   8.889
  177   2HB   ASP  29          3HB       ASP  29  -8.092  10.062  10.062
  178    H    GLY  30           HN       GLY  30  -6.454  10.855  10.855
  179   1HA   GLY  30          1HA       GLY  30  -4.630  12.187  12.187
  180   2HA   GLY  30          2HA       GLY  30  -5.342  13.286  13.286
  181    H    GLU  31           HN       GLU  31  -5.178   9.860   9.860
  182    HA   GLU  31           HA       GLU  31  -3.180  10.568  10.568
  183   1HB   GLU  31          2HB       GLU  31  -5.227   8.328   8.328
  184   2HB   GLU  31          3HB       GLU  31  -3.931   8.289   8.289
  185   1HG   GLU  31          2HG       GLU  31  -5.846  10.649  10.649
  186   2HG   GLU  31          3HG       GLU  31  -6.138   9.310   9.310
  187    H    THR  32           HN       THR  32  -1.805   8.405   8.405
  188    HA   THR  32           HA       THR  32  -0.862   7.228   7.228
  189    HB   THR  32           HB       THR  32   1.455   7.548   7.548
  190    HG1  THR  32           HG1      THR  32   0.035   9.067   9.067
  191   1HG2  THR  32          2HG2      THR  32  -0.349  10.006  10.006
  192   2HG2  THR  32          3HG2      THR  32   1.395  10.149  10.149
  193   3HG2  THR  32          1HG2      THR  32   0.831   9.483   9.483
  194    H    VAL  33           HN       VAL  33   0.895   5.398   5.398
  195    HA   VAL  33           HA       VAL  33  -0.360   3.900   3.900
  196    HB   VAL  33           HB       VAL  33  -0.581   1.944   1.944
  197   1HG1  VAL  33          3HG1      VAL  33  -2.120   4.122   4.122
  198   2HG1  VAL  33          1HG1      VAL  33  -1.561   3.775   3.775
  199   3HG1  VAL  33          2HG1      VAL  33  -2.421   2.524   2.524
  200   1HG2  VAL  33          1HG2      VAL  33   1.503   2.091   2.091
  201   2HG2  VAL  33          2HG2      VAL  33   0.124   1.744   1.744
  202   3HG2  VAL  33          3HG2      VAL  33   0.809   3.387   3.387
  203    H    GLY  34           HN       GLY  34   1.164   3.234   3.234
  204   1HA   GLY  34          1HA       GLY  34   3.132   2.307   2.307
  205   2HA   GLY  34          2HA       GLY  34   3.745   2.333   2.333
  206    H    SER  35           HN       SER  35   5.779   3.254   3.254
  207    HA   SER  35           HA       SER  35   5.657   5.847   5.847
  208   1HB   SER  35          2HB       SER  35   7.889   3.877   3.877
  209   2HB   SER  35          3HB       SER  35   8.257   5.532   5.532
  210    HG   SER  35           HG       SER  35   8.220   4.343   4.343
  211    H    ASN  36           HN       ASN  36   5.578   4.490   4.490
  212    HA   ASN  36           HA       ASN  36   7.255   6.431   6.431
  213   1HB   ASN  36          2HB       ASN  36   5.750   4.002   4.002
  214   2HB   ASN  36          3HB       ASN  36   5.631   5.266   5.266
  215   1HD2  ASN  36          2HD2      ASN  36   8.552   3.437   3.437
  216   2HD2  ASN  36          1HD2      ASN  36   6.821   3.356   3.356
  217    H    SER  37           HN       SER  37   5.612   6.997   6.997
  218    HA   SER  37           HA       SER  37   3.410   8.468   8.468
  219   1HB   SER  37          2HB       SER  37   3.887  10.395  10.395
  220   2HB   SER  37          3HB       SER  37   5.401   9.923   9.923
  221    HG   SER  37           HG       SER  37   6.175   9.895   9.895
  222    H    TYR  38           HN       TYR  38   2.968   5.929   5.929
  223    HA   TYR  38           HA       TYR  38   2.094   6.263   6.263
  224   1HB   TYR  38          2HB       TYR  38   2.342   3.952   3.952
  225   2HB   TYR  38          3HB       TYR  38   1.677   3.716   3.716
  226    HD1  TYR  38           HD2      TYR  38   4.606   5.829   5.829
  227    HD2  TYR  38           HD1      TYR  38   3.246   2.286   2.286
  228    HE1  TYR  38           HE2      TYR  38   6.943   5.435   5.435
  229    HE2  TYR  38           HE1      TYR  38   5.589   1.904   1.904
  230    HH   TYR  38           HH       TYR  38   7.765   2.469   2.469
  231    HA   PRO  39           HA       PRO  39   0.844   5.210   5.210
  232   1HB   PRO  39          2HB       PRO  39  -1.121   6.086   6.086
  233   2HB   PRO  39          3HB       PRO  39  -1.056   4.452   4.452
  234   1HG   PRO  39          2HG       PRO  39  -2.839   6.673   6.673
  235   2HG   PRO  39          3HG       PRO  39  -3.028   4.955   4.955
  236   1HD   PRO  39          2HD       PRO  39  -2.179   6.937   6.937
  237   2HD   PRO  39          3HD       PRO  39  -2.257   5.205   5.205
  238    H    HIS  40           HN       HIS  40   0.720   6.708   6.708
  239    HA   HIS  40           HA       HIS  40   0.797   9.426   9.426
  240   1HB   HIS  40          2HB       HIS  40   3.128   9.961   9.961
  241   2HB   HIS  40          3HB       HIS  40   2.664   8.926   8.926
  242    HD1  HIS  40           HD1      HIS  40   4.342   8.587   8.587
  243    HD2  HIS  40           HD2      HIS  40   4.309   6.764   6.764
  244    HE1  HIS  40           HE1      HIS  40   6.161   6.798   6.798
  245    HE2  HIS  40           HE2      HIS  40   6.130   5.750   5.750
  246    H    LYS  41           HN       LYS  41   1.981  10.567  10.567
  247    HA   LYS  41           HA       LYS  41   1.070   9.589   9.589
  248   1HB   LYS  41          2HB       LYS  41   1.910  11.494  11.494
  249   2HB   LYS  41          3HB       LYS  41   2.334  11.860  11.860
  250   1HG   LYS  41          2HG       LYS  41   4.593  11.364  11.364
  251   2HG   LYS  41          3HG       LYS  41   4.277  10.167  10.167
  252   1HD   LYS  41          2HD       LYS  41   4.487  11.700  11.700
  253   2HD   LYS  41          3HD       LYS  41   3.395  12.820  12.820
  254   1HE   LYS  41          2HE       LYS  41   5.574  13.894  13.894
  255   2HE   LYS  41          3HE       LYS  41   5.279  13.539  13.539
  256   1HZ   LYS  41          1HZ       LYS  41   6.503  11.331  11.331
  257   2HZ   LYS  41          2HZ       LYS  41   7.366  12.650  12.650
  258   3HZ   LYS  41          3HZ       LYS  41   7.099  12.330  12.330
  259    H    TYR  42           HN       TYR  42   2.519   8.988   8.988
  260    HA   TYR  42           HA       TYR  42   4.796   7.356   7.356
  261   1HB   TYR  42          2HB       TYR  42   2.908   5.810   5.810
  262   2HB   TYR  42          3HB       TYR  42   2.072   6.366   6.366
  263    HD1  TYR  42           HD1      TYR  42   2.783   5.616   5.616
  264    HD2  TYR  42           HD2      TYR  42   4.694   4.165   4.165
  265    HE1  TYR  42           HE1      TYR  42   3.821   3.713   3.713
  266    HE2  TYR  42           HE2      TYR  42   5.725   2.268   2.268
  267    HH   TYR  42           HH       TYR  42   6.250   1.656   1.656
  268    H    ASN  43           HN       ASN  43   3.644   9.715   9.715
  269    HA   ASN  43           HA       ASN  43   3.400   9.693   9.693
  270   1HB   ASN  43          2HB       ASN  43   5.720  10.840  10.840
  271   2HB   ASN  43          3HB       ASN  43   5.966  10.753  10.753
  272   1HD2  ASN  43          2HD2      ASN  43   2.462  12.669  12.669
  273   2HD2  ASN  43          1HD2      ASN  43   2.848  11.069  11.069
  274    H    ASN  44           HN       ASN  44   3.459   7.516   7.516
  275    HA   ASN  44           HA       ASN  44   5.568   5.823   5.823
  276   1HB   ASN  44          2HB       ASN  44   4.479   4.671   4.671
  277   2HB   ASN  44          3HB       ASN  44   3.176   5.498   5.498
  278   1HD2  ASN  44          2HD2      ASN  44   4.361   6.538   6.538
  279   2HD2  ASN  44          1HD2      ASN  44   5.278   5.473   5.473
  280    H    TYR  45           HN       TYR  45   6.803   5.173   5.173
  281    HA   TYR  45           HA       TYR  45   7.369   7.067   7.067
  282   1HB   TYR  45          2HB       TYR  45   8.752   7.290   7.290
  283   2HB   TYR  45          3HB       TYR  45   9.850   7.299   7.299
  284    HD1  TYR  45           HD1      TYR  45   6.786   8.650   8.650
  285    HD2  TYR  45           HD2      TYR  45  10.251   9.635   9.635
  286    HE1  TYR  45           HE1      TYR  45   6.327  11.126  11.126
  287    HE2  TYR  45           HE2      TYR  45   9.781  12.107  12.107
  288    HH   TYR  45           HH       TYR  45   8.571  13.462  13.462
  289    H    GLU  46           HN       GLU  46   8.807   4.589   4.589
  290    HA   GLU  46           HA       GLU  46  10.798   3.667   3.667
  291   1HB   GLU  46          2HB       GLU  46   8.807   2.025   2.025
  292   2HB   GLU  46          3HB       GLU  46  10.348   1.417   1.417
  293   1HG   GLU  46          2HG       GLU  46   9.766   3.265   3.265
  294   2HG   GLU  46          3HG       GLU  46  11.116   2.170   2.170
  295    H    GLY  47           HN       GLY  47   7.404   3.631   3.631
  296   1HA   GLY  47          1HA       GLY  47   6.914   3.283   3.283
  297   2HA   GLY  47          2HA       GLY  47   7.962   1.880   1.880
  298    H    PHE  48           HN       PHE  48   5.250   3.143   3.143
  299    HA   PHE  48           HA       PHE  48   4.213   0.416   0.416
  300   1HB   PHE  48          2HB       PHE  48   3.784   3.013   3.013
  301   2HB   PHE  48          3HB       PHE  48   2.767   1.610   1.610
  302    HD1  PHE  48           HD2      PHE  48   3.764  -0.483  -0.483
  303    HD2  PHE  48           HD1      PHE  48   5.984   3.123   3.123
  304    HE1  PHE  48           HE2      PHE  48   5.435  -1.392  -1.392
  305    HE2  PHE  48           HE1      PHE  48   7.655   2.214   2.214
  306    HZ   PHE  48           HZ       PHE  48   7.360  -0.032  -0.032
  307    H    ASP  49           HN       ASP  49   2.287  -0.153  -0.153
  308    HA   ASP  49           HA       ASP  49   1.043   1.910   1.910
  309   1HB   ASP  49          2HB       ASP  49   0.012  -0.920  -0.920
  310   2HB   ASP  49          3HB       ASP  49   0.133   0.170   0.170
  311    H    PHE  50           HN       PHE  50   0.270   2.898   2.898
  312    HA   PHE  50           HA       PHE  50  -1.713   1.441   1.441
  313   1HB   PHE  50          2HB       PHE  50  -0.745   4.355   4.355
  314   2HB   PHE  50          3HB       PHE  50  -1.970   3.842   3.842
  315    HD1  PHE  50           HD1      PHE  50  -0.092   1.042   1.042
  316    HD2  PHE  50           HD2      PHE  50   0.281   5.078   5.078
  317    HE1  PHE  50           HE1      PHE  50   1.703   0.372   0.372
  318    HE2  PHE  50           HE2      PHE  50   2.076   4.409   4.409
  319    HZ   PHE  50           HZ       PHE  50   2.767   2.063   2.063
  320    H    SER  51           HN       SER  51  -3.674   1.005   1.005
  321    HA   SER  51           HA       SER  51  -4.711   2.719   2.719
  322   1HB   SER  51          2HB       SER  51  -6.606   1.137   1.137
  323   2HB   SER  51          3HB       SER  51  -5.078   0.279   0.279
  324    HG   SER  51           HG       SER  51  -5.309  -0.149  -0.149
  325    H    VAL  52           HN       VAL  52  -4.234   3.857   3.857
  326    HA   VAL  52           HA       VAL  52  -6.992   4.733   4.733
  327    HB   VAL  52           HB       VAL  52  -6.561   4.787   4.787
  328   1HG1  VAL  52          3HG1      VAL  52  -7.256   2.616   2.616
  329   2HG1  VAL  52          1HG1      VAL  52  -5.545   2.130   2.130
  330   3HG1  VAL  52          2HG1      VAL  52  -6.328   2.427   2.427
  331   1HG2  VAL  52          1HG2      VAL  52  -3.718   4.254   4.254
  332   2HG2  VAL  52          2HG2      VAL  52  -4.370   5.430   5.430
  333   3HG2  VAL  52          3HG2      VAL  52  -4.295   3.703   3.703
  334    H    SER  53           HN       SER  53  -7.163   6.964   6.964
  335    HA   SER  53           HA       SER  53  -5.132   8.564   8.564
  336   1HB   SER  53          2HB       SER  53  -7.888   9.113   9.113
  337   2HB   SER  53          3HB       SER  53  -6.809  10.441  10.441
  338    HG   SER  53           HG       SER  53  -7.002  10.060  10.060
  339    H    SER  54           HN       SER  54  -3.916  10.227  10.227
  340    HA   SER  54           HA       SER  54  -3.188   9.491   9.491
  341   1HB   SER  54          2HB       SER  54  -1.455  10.995  10.995
  342   2HB   SER  54          3HB       SER  54  -1.902  10.786  10.786
  343    HG   SER  54           HG       SER  54  -3.446  12.705  12.705
  344    HA   PRO  55           HA       PRO  55  -1.937  11.316  11.316
  345   1HB   PRO  55          2HB       PRO  55  -1.680  11.701  11.701
  346   2HB   PRO  55          3HB       PRO  55  -1.522  12.994  12.994
  347   1HG   PRO  55          2HG       PRO  55  -3.773  12.412  12.412
  348   2HG   PRO  55          3HG       PRO  55  -3.407  13.899  13.899
  349   1HD   PRO  55          2HD       PRO  55  -5.419  11.975  11.975
  350   2HD   PRO  55          3HD       PRO  55  -4.974  13.402  13.402
  351    H    TYR  56           HN       TYR  56  -0.525   9.665   9.665
  352    HA   TYR  56           HA       TYR  56  -2.163   7.330   7.330
  353   1HB   TYR  56          2HB       TYR  56   0.762   7.838   7.838
  354   2HB   TYR  56          3HB       TYR  56   0.117   6.232   6.232
  355    HD1  TYR  56           HD1      TYR  56  -2.664   6.880   6.880
  356    HD2  TYR  56           HD2      TYR  56   1.376   7.449   7.449
  357    HE1  TYR  56           HE1      TYR  56  -3.415   6.772   6.772
  358    HE2  TYR  56           HE2      TYR  56   0.611   7.340   7.340
  359    HH   TYR  56           HH       TYR  56  -1.770   7.899   7.899
  360    H    TYR  57           HN       TYR  57  -2.159   6.378   6.378
  361    HA   TYR  57           HA       TYR  57  -0.205   7.430   7.430
  362   1HB   TYR  57          2HB       TYR  57  -2.949   6.058   6.058
  363   2HB   TYR  57          3HB       TYR  57  -2.024   6.743   6.743
  364    HD1  TYR  57           HD2      TYR  57  -1.239   9.140   9.140
  365    HD2  TYR  57           HD1      TYR  57  -4.821   7.522   7.522
  366    HE1  TYR  57           HE2      TYR  57  -2.414  11.369  11.369
  367    HE2  TYR  57           HE1      TYR  57  -5.984   9.757   9.757
  368    HH   TYR  57           HH       TYR  57  -4.363  12.562  12.562
  369    H    GLU  58           HN       GLU  58   1.300   6.056   6.056
  370    HA   GLU  58           HA       GLU  58   1.091   3.304   3.304
  371   1HB   GLU  58          2HB       GLU  58   3.417   3.135   3.135
  372   2HB   GLU  58          3HB       GLU  58   3.236   4.482   4.482
  373   1HG   GLU  58          2HG       GLU  58   4.514   5.325   5.325
  374   2HG   GLU  58          3HG       GLU  58   2.906   5.996   5.996
  375    H    TRP  59           HN       TRP  59   0.915   1.518   1.518
  376    HA   TRP  59           HA       TRP  59   0.906   1.974   1.974
  377   1HB   TRP  59          2HB       TRP  59  -1.311   2.716   2.716
  378   2HB   TRP  59          3HB       TRP  59  -1.649   1.403   1.403
  379    HD1  TRP  59           HD1      TRP  59  -2.518  -0.880  -0.880
  380    HE1  TRP  59           HE1      TRP  59  -3.175  -1.729  -1.729
  381    HE3  TRP  59           HE3      TRP  59  -0.545   3.081   3.081
  382    HZ2  TRP  59           HZ2      TRP  59  -2.803  -0.672  -0.672
  383    HZ3  TRP  59           HZ3      TRP  59  -0.735   3.094   3.094
  384    HH2  TRP  59           HH2      TRP  59  -1.816   1.304   1.304
  385    HA   PRO  60           HA       PRO  60   2.207  -2.153  -2.153
  386   1HB   PRO  60          2HB       PRO  60   2.141  -2.962  -2.962
  387   2HB   PRO  60          3HB       PRO  60   3.459  -2.029  -2.029
  388   1HG   PRO  60          2HG       PRO  60   1.290  -1.135  -1.135
  389   2HG   PRO  60          3HG       PRO  60   2.822  -0.357  -0.357
  390   1HD   PRO  60          2HD       PRO  60   0.250   0.386   0.386
  391   2HD   PRO  60          3HD       PRO  60   1.796   1.089   1.089
  392    H    ILE  61           HN       ILE  61   1.547  -4.280  -4.280
  393    HA   ILE  61           HA       ILE  61  -1.301  -4.593  -4.593
  394    HB   ILE  61           HB       ILE  61  -0.700  -4.355  -4.355
  395   1HG1  ILE  61          2HG1      ILE  61  -1.889  -7.068  -7.068
  396   2HG1  ILE  61          3HG1      ILE  61  -2.722  -5.601  -5.601
  397   1HG2  ILE  61          1HG2      ILE  61   0.633  -7.037  -7.037
  398   2HG2  ILE  61          2HG2      ILE  61   0.285  -6.313  -6.313
  399   3HG2  ILE  61          3HG2      ILE  61   1.426  -5.517  -5.517
  400   1HD1  ILE  61          1HD1      ILE  61  -2.468  -4.777  -4.777
  401   2HD1  ILE  61          2HD1      ILE  61  -1.868  -6.401  -6.401
  402   3HD1  ILE  61          3HD1      ILE  61  -3.525  -6.194  -6.194
  403    H    LEU  62           HN       LEU  62  -1.664  -6.005  -6.005
  404    HA   LEU  62           HA       LEU  62   0.446  -7.865  -7.865
  405   1HB   LEU  62          2HB       LEU  62  -2.138  -7.049  -7.049
  406   2HB   LEU  62          3HB       LEU  62  -1.132  -8.349  -8.349
  407    HG   LEU  62           HG       LEU  62   0.015  -5.596  -5.596
  408   1HD1  LEU  62          1HD1      LEU  62  -2.170  -5.776  -5.776
  409   2HD1  LEU  62          2HD1      LEU  62  -0.982  -6.333  -6.333
  410   3HD1  LEU  62          3HD1      LEU  62  -0.793  -4.737  -4.737
  411   1HD2  LEU  62          3HD2      LEU  62   1.295  -7.860  -7.860
  412   2HD2  LEU  62          1HD2      LEU  62   1.792  -6.295  -6.295
  413   3HD2  LEU  62          2HD2      LEU  62   0.820  -7.423  -7.423
  414    H    SER  63           HN       SER  63   0.505  -9.953  -9.953
  415    HA   SER  63           HA       SER  63  -1.484 -10.894 -10.894
  416   1HB   SER  63          2HB       SER  63   1.149 -11.549 -11.549
  417   2HB   SER  63          3HB       SER  63   0.296 -12.918 -12.918
  418    HG   SER  63           HG       SER  63   0.295 -13.633 -13.633
  419    H    SER  64           HN       SER  64  -1.665 -10.405 -10.405
  420    HA   SER  64           HA       SER  64  -3.031 -12.904 -12.904
  421   1HB   SER  64          2HB       SER  64  -1.756 -10.761 -10.761
  422   2HB   SER  64          3HB       SER  64  -3.151 -11.556 -11.556
  423    HG   SER  64           HG       SER  64  -1.115 -13.183 -13.183
  424    H    GLY  65           HN       GLY  65  -3.600  -9.666  -9.666
  425   1HA   GLY  65          1HA       GLY  65  -5.601  -8.740  -8.740
  426   2HA   GLY  65          2HA       GLY  65  -6.461 -10.028 -10.028
  427    H    ASP  66           HN       ASP  66  -3.872  -7.907  -7.907
  428    HA   ASP  66           HA       ASP  66  -5.879  -6.994  -6.994
  429   1HB   ASP  66          2HB       ASP  66  -2.848  -7.267  -7.267
  430   2HB   ASP  66          3HB       ASP  66  -3.843  -6.492  -6.492
  431    H    VAL  67           HN       VAL  67  -4.532  -4.785  -4.785
  432    HA   VAL  67           HA       VAL  67  -4.070  -3.083  -3.083
  433    HB   VAL  67           HB       VAL  67  -5.620  -2.661  -2.661
  434   1HG1  VAL  67          1HG1      VAL  67  -4.324  -0.508  -0.508
  435   2HG1  VAL  67          2HG1      VAL  67  -5.689  -0.207  -0.207
  436   3HG1  VAL  67          3HG1      VAL  67  -4.135  -0.787  -0.787
  437   1HG2  VAL  67          1HG2      VAL  67  -6.134  -2.676  -2.676
  438   2HG2  VAL  67          2HG2      VAL  67  -7.202  -3.094  -3.094
  439   3HG2  VAL  67          3HG2      VAL  67  -6.955  -1.390  -1.390
  440    H    TYR  68           HN       TYR  68  -1.883  -2.846  -2.846
  441    HA   TYR  68           HA       TYR  68  -0.016  -3.222  -3.222
  442   1HB   TYR  68          2HB       TYR  68   0.563  -2.731  -2.731
  443   2HB   TYR  68          3HB       TYR  68  -0.377  -1.253  -1.253
  444    HD1  TYR  68           HD2      TYR  68   2.565  -2.717  -2.717
  445    HD2  TYR  68           HD1      TYR  68   0.792   0.748   0.748
  446    HE1  TYR  68           HE2      TYR  68   4.664  -1.375  -1.375
  447    HE2  TYR  68           HE1      TYR  68   2.897   2.078   2.078
  448    HH   TYR  68           HH       TYR  68   4.822   2.084   2.084
  449    H    SER  69           HN       SER  69  -0.595  -2.546  -2.546
  450    HA   SER  69           HA       SER  69  -0.910   0.324   0.324
  451   1HB   SER  69          2HB       SER  69  -1.727  -0.227  -0.227
  452   2HB   SER  69          3HB       SER  69  -2.656  -1.045  -1.045
  453    HG   SER  69           HG       SER  69  -0.582  -2.667  -2.667
  454    H    GLY  70           HN       GLY  70   1.690  -0.714  -0.714
  455   1HA   GLY  70          1HA       GLY  70   3.148  -0.046  -0.046
  456   2HA   GLY  70          2HA       GLY  70   3.583  -1.470  -1.470
  457    H    GLY  71           HN       GLY  71   5.732  -0.363  -0.363
  458   1HA   GLY  71          1HA       GLY  71   5.691   1.778   1.778
  459   2HA   GLY  71          2HA       GLY  71   6.948   1.532   1.532
  460    H    SER  72           HN       SER  72   6.641  -1.535  -1.535
  461    HA   SER  72           HA       SER  72   8.151  -1.587  -1.587
  462   1HB   SER  72          2HB       SER  72   9.197  -3.710  -3.710
  463   2HB   SER  72          3HB       SER  72   9.685  -2.169  -2.169
  464    HG   SER  72           HG       SER  72   8.238  -2.488  -2.488
  465    HA   PRO  73           HA       PRO  73   4.527  -4.116  -4.116
  466   1HB   PRO  73          2HB       PRO  73   4.224  -3.427  -3.427
  467   2HB   PRO  73          3HB       PRO  73   3.434  -2.574  -2.574
  468   1HG   PRO  73          2HG       PRO  73   5.764  -1.739  -1.739
  469   2HG   PRO  73          3HG       PRO  73   4.712  -0.756  -0.756
  470   1HD   PRO  73          2HD       PRO  73   7.362  -1.640  -1.640
  471   2HD   PRO  73          3HD       PRO  73   6.266  -0.756  -0.756
  472    H    GLY  74           HN       GLY  74   7.168  -3.740  -3.740
  473   1HA   GLY  74          1HA       GLY  74   8.423  -6.042  -6.042
  474   2HA   GLY  74          2HA       GLY  74   6.947  -6.589  -6.589
  475    H    ALA  75           HN       ALA  75   6.791  -6.449  -6.449
  476    HA   ALA  75           HA       ALA  75   8.547  -4.516  -4.516
  477   1HB   ALA  75          2HB       ALA  75   8.252  -7.491  -7.491
  478   2HB   ALA  75          3HB       ALA  75   8.890  -6.362  -6.362
  479   3HB   ALA  75          1HB       ALA  75   9.740  -6.571  -6.571
  480    H    ASP  76           HN       ASP  76   5.658  -6.659  -6.659
  481    HA   ASP  76           HA       ASP  76   4.667  -5.757  -5.757
  482   1HB   ASP  76          2HB       ASP  76   2.791  -6.478  -6.478
  483   2HB   ASP  76          3HB       ASP  76   2.721  -6.953  -6.953
  484    H    ARG  77           HN       ARG  77   3.277  -3.980  -3.980
  485    HA   ARG  77           HA       ARG  77   2.196  -2.456  -2.456
  486   1HB   ARG  77          2HB       ARG  77   3.949  -1.001  -1.001
  487   2HB   ARG  77          3HB       ARG  77   3.283  -0.363  -0.363
  488   1HG   ARG  77          2HG       ARG  77   5.100  -2.761  -2.761
  489   2HG   ARG  77          3HG       ARG  77   5.836  -1.215  -1.215
  490   1HD   ARG  77          2HD       ARG  77   4.456  -0.296  -0.296
  491   2HD   ARG  77          3HD       ARG  77   4.227  -1.978  -1.978
  492    HE   ARG  77           HE       ARG  77   6.847  -0.547  -0.547
  493   1HH1  ARG  77           HH2      ARG  77   4.988  -3.414  -3.414
  494   2HH1  ARG  77           HH2      ARG  77   6.255  -4.112  -4.112
  495   1HH2  ARG  77           HH1      ARG  77   8.519  -1.467  -1.467
  496   2HH2  ARG  77           HH1      ARG  77   8.277  -2.998  -2.998
  497    H    VAL  78           HN       VAL  78   0.338  -1.259  -1.259
  498    HA   VAL  78           HA       VAL  78  -0.390  -1.699  -1.699
  499    HB   VAL  78           HB       VAL  78  -2.069  -2.706  -2.706
  500   1HG1  VAL  78          2HG1      VAL  78  -1.574  -0.819  -0.819
  501   2HG1  VAL  78          3HG1      VAL  78  -2.854  -2.055  -2.055
  502   3HG1  VAL  78          1HG1      VAL  78  -1.144  -2.542  -2.542
  503   1HG2  VAL  78          3HG2      VAL  78  -2.698   0.124   0.124
  504   2HG2  VAL  78          1HG2      VAL  78  -3.616  -1.339  -1.339
  505   3HG2  VAL  78          2HG2      VAL  78  -3.758  -0.650  -0.650
  506    H    VAL  79           HN       VAL  79  -0.560   0.023   0.023
  507    HA   VAL  79           HA       VAL  79  -0.357   2.666   2.666
  508    HB   VAL  79           HB       VAL  79   0.396   1.617   1.617
  509   1HG1  VAL  79          2HG1      VAL  79  -0.546   4.179   4.179
  510   2HG1  VAL  79          3HG1      VAL  79   1.223   4.357   4.357
  511   3HG1  VAL  79          1HG1      VAL  79   0.457   3.684   3.684
  512   1HG2  VAL  79          2HG2      VAL  79   1.807   1.542   1.542
  513   2HG2  VAL  79          3HG2      VAL  79   2.527   1.547   1.547
  514   3HG2  VAL  79          1HG2      VAL  79   2.373   3.070   3.070
  515    H    PHE  80           HN       PHE  80  -2.128   3.949   3.949
  516    HA   PHE  80           HA       PHE  80  -4.089   3.522   3.522
  517   1HB   PHE  80          2HB       PHE  80  -5.864   3.610   3.610
  518   2HB   PHE  80          3HB       PHE  80  -4.727   2.353   2.353
  519    HD1  PHE  80           HD2      PHE  80  -2.778   3.144   3.144
  520    HD2  PHE  80           HD1      PHE  80  -6.483   5.164   5.164
  521    HE1  PHE  80           HE2      PHE  80  -2.459   4.232   4.232
  522    HE2  PHE  80           HE1      PHE  80  -6.163   6.252   6.252
  523    HZ   PHE  80           HZ       PHE  80  -4.155   5.774   5.774
  524    H    ASN  81           HN       ASN  81  -5.973   5.439   5.439
  525    HA   ASN  81           HA       ASN  81  -4.345   7.845   7.845
  526   1HB   ASN  81          2HB       ASN  81  -6.961   7.976   7.976
  527   2HB   ASN  81          3HB       ASN  81  -5.470   8.842   8.842
  528   1HD2  ASN  81          2HD2      ASN  81  -6.084   5.016   5.016
  529   2HD2  ASN  81          1HD2      ASN  81  -6.942   5.618   5.618
  530    H    GLU  82           HN       GLU  82  -6.558   9.686   9.686
  531    HA   GLU  82           HA       GLU  82  -7.588   9.043   9.043
  532   1HB   GLU  82          2HB       GLU  82  -6.777  11.245  11.245
  533   2HB   GLU  82          3HB       GLU  82  -7.370  11.541  11.541
  534   1HG   GLU  82          2HG       GLU  82  -9.641  11.779  11.779
  535   2HG   GLU  82          3HG       GLU  82  -9.295  11.048  11.048
  536    H    ASN  83           HN       ASN  83  -8.496   8.101   8.101
  537    HA   ASN  83           HA       ASN  83 -11.273   8.847   8.847
  538   1HB   ASN  83          2HB       ASN  83 -11.032   7.108   7.108
  539   2HB   ASN  83          3HB       ASN  83 -11.046   8.858   8.858
  540   1HD2  ASN  83          2HD2      ASN  83  -7.639   6.662   6.662
  541   2HD2  ASN  83          1HD2      ASN  83  -9.149   5.971   5.971
  542    H    ASN  84           HN       ASN  84  -8.985   6.251   6.251
  543    HA   ASN  84           HA       ASN  84  -9.531   4.551   4.551
  544   1HB   ASN  84          2HB       ASN  84 -11.703   3.621   3.621
  545   2HB   ASN  84          3HB       ASN  84 -12.055   5.295   5.295
  546   1HD2  ASN  84          2HD2      ASN  84 -12.334   4.111   4.111
  547   2HD2  ASN  84          1HD2      ASN  84 -11.059   4.906   4.906
  548    H    GLN  85           HN       GLN  85  -8.535   4.962   4.962
  549    HA   GLN  85           HA       GLN  85  -9.054   2.277   2.277
  550   1HB   GLN  85          2HB       GLN  85  -8.012   4.747   4.747
  551   2HB   GLN  85          3HB       GLN  85  -8.227   3.174   3.174
  552   1HG   GLN  85          2HG       GLN  85 -10.637   3.234   3.234
  553   2HG   GLN  85          3HG       GLN  85 -10.499   4.665   4.665
  554   1HE2  GLN  85          2HE2      GLN  85  -9.646   6.860   6.860
  555   2HE2  GLN  85          1HE2      GLN  85  -9.096   6.445   6.445
  556    H    LEU  86           HN       LEU  86  -7.392   0.789   0.789
  557    HA   LEU  86           HA       LEU  86  -4.853   1.646   1.646
  558   1HB   LEU  86          2HB       LEU  86  -5.586  -0.276  -0.276
  559   2HB   LEU  86          3HB       LEU  86  -6.249  -0.955  -0.955
  560    HG   LEU  86           HG       LEU  86  -4.218  -2.114  -2.114
  561   1HD1  LEU  86          1HD1      LEU  86  -5.022  -2.255  -2.255
  562   2HD1  LEU  86          2HD1      LEU  86  -3.785  -1.042  -1.042
  563   3HD1  LEU  86          3HD1      LEU  86  -3.299  -2.620  -2.620
  564   1HD2  LEU  86          3HD2      LEU  86  -3.161   0.350   0.350
  565   2HD2  LEU  86          1HD2      LEU  86  -2.197  -1.141  -1.141
  566   3HD2  LEU  86          2HD2      LEU  86  -2.409  -0.103  -0.103
  567    H    ALA  87           HN       ALA  87  -2.929   1.776   1.776
  568    HA   ALA  87           HA       ALA  87  -3.111   2.036   2.036
  569   1HB   ALA  87          1HB       ALA  87  -1.326   2.727   2.727
  570   2HB   ALA  87          2HB       ALA  87  -0.395   1.794   1.794
  571   3HB   ALA  87          3HB       ALA  87  -1.277   3.258   3.258
  572    H    GLY  88           HN       GLY  88  -1.730  -0.437  -0.437
  573   1HA   GLY  88          1HA       GLY  88  -2.274  -2.601  -2.601
  574   2HA   GLY  88          2HA       GLY  88  -0.639  -2.081  -2.081
  575    H    VAL  89           HN       VAL  89   0.723  -3.511  -3.511
  576    HA   VAL  89           HA       VAL  89   0.585  -3.628  -3.628
  577    HB   VAL  89           HB       VAL  89   0.178  -6.026  -6.026
  578   1HG1  VAL  89          2HG1      VAL  89   1.892  -5.950  -5.950
  579   2HG1  VAL  89          3HG1      VAL  89   0.385  -6.692  -6.692
  580   3HG1  VAL  89          1HG1      VAL  89   1.235  -7.391  -7.391
  581   1HG2  VAL  89          3HG2      VAL  89  -1.350  -4.790  -4.790
  582   2HG2  VAL  89          1HG2      VAL  89  -1.897  -5.076  -5.076
  583   3HG2  VAL  89          2HG2      VAL  89  -1.647  -6.451  -6.451
  584    H    ILE  90           HN       ILE  90   2.576  -2.587  -2.587
  585    HA   ILE  90           HA       ILE  90   4.740  -3.613  -3.613
  586    HB   ILE  90           HB       ILE  90   5.982  -1.741  -1.741
  587   1HG1  ILE  90          2HG1      ILE  90   4.052  -1.801  -1.801
  588   2HG1  ILE  90          3HG1      ILE  90   5.725  -1.279  -1.279
  589   1HG2  ILE  90          3HG2      ILE  90   3.930  -1.528  -1.528
  590   2HG2  ILE  90          1HG2      ILE  90   3.287  -0.498  -0.498
  591   3HG2  ILE  90          2HG2      ILE  90   4.844  -0.099  -0.099
  592   1HD1  ILE  90          2HD1      ILE  90   4.636   0.712   0.712
  593   2HD1  ILE  90          3HD1      ILE  90   3.231   0.299   0.299
  594   3HD1  ILE  90          1HD1      ILE  90   4.761   0.795   0.795
  595    H    THR  91           HN       THR  91   6.941  -3.892  -3.892
  596    HA   THR  91           HA       THR  91   6.749  -4.858  -4.858
  597    HB   THR  91           HB       THR  91   5.833  -6.879  -6.879
  598    HG1  THR  91           HG1      THR  91   8.014  -7.212  -7.212
  599   1HG2  THR  91          3HG2      THR  91   5.929  -6.219  -6.219
  600   2HG2  THR  91          1HG2      THR  91   7.638  -6.719  -6.719
  601   3HG2  THR  91          2HG2      THR  91   6.360  -7.918  -7.918
  602    H    HIS  92           HN       HIS  92   8.786  -5.196  -5.196
  603    HA   HIS  92           HA       HIS  92  10.825  -3.693  -3.693
  604   1HB   HIS  92          2HB       HIS  92  10.670  -5.504  -5.504
  605   2HB   HIS  92          3HB       HIS  92  12.186  -4.768  -4.768
  606    HD1  HIS  92           HD1      HIS  92  12.219  -3.351  -3.351
  607    HD2  HIS  92           HD2      HIS  92   8.971  -2.561  -2.561
  608    HE1  HIS  92           HE1      HIS  92  11.161  -1.188  -1.188
  609    HE2  HIS  92           HE2      HIS  92   9.205  -0.726  -0.726
  610    H    THR  93           HN       THR  93   9.659  -6.648  -6.648
  611    HA   THR  93           HA       THR  93  12.190  -7.967  -7.967
  612    HB   THR  93           HB       THR  93   9.249  -8.519  -8.519
  613    HG1  THR  93           HG1      THR  93  10.308 -10.568 -10.568
  614   1HG2  THR  93          2HG2      THR  93  10.403  -9.177  -9.177
  615   2HG2  THR  93          3HG2      THR  93  11.488 -10.209 -10.209
  616   3HG2  THR  93          1HG2      THR  93   9.742 -10.552 -10.552
  617    H    GLY  94           HN       GLY  94  12.622  -8.831  -8.831
  618   1HA   GLY  94          1HA       GLY  94  13.580  -8.083  -8.083
  619   2HA   GLY  94          2HA       GLY  94  11.893  -7.847  -7.847
  620    H    ALA  95           HN       ALA  95  13.868  -6.029  -6.029
  621    HA   ALA  95           HA       ALA  95  13.417  -3.633  -3.633
  622   1HB   ALA  95          1HB       ALA  95  13.096  -4.216  -4.216
  623   2HB   ALA  95          2HB       ALA  95  13.788  -2.633  -2.633
  624   3HB   ALA  95          3HB       ALA  95  12.188  -3.102  -3.102
  625    H    SER  96           HN       SER  96  15.152  -2.067  -2.067
  626    HA   SER  96           HA       SER  96  17.695  -3.381  -3.381
  627   1HB   SER  96          2HB       SER  96  17.332  -2.168  -2.168
  628   2HB   SER  96          3HB       SER  96  16.768  -0.744  -0.744
  629    HG   SER  96           HG       SER  96  19.466  -1.804  -1.804
  630    H    GLY  97           HN       GLY  97  16.277  -2.760  -2.760
  631   1HA   GLY  97          1HA       GLY  97  18.109  -2.013  -2.013
  632   2HA   GLY  97          2HA       GLY  97  17.681  -0.440  -0.440
  633    H    ASN  98           HN       ASN  98  16.394   0.575   0.575
  634    HA   ASN  98           HA       ASN  98  14.537  -1.035  -1.035
  635   1HB   ASN  98          2HB       ASN  98  15.764   0.631   0.631
  636   2HB   ASN  98          3HB       ASN  98  15.394   1.895   1.895
  637   1HD2  ASN  98          2HD2      ASN  98  12.055   0.455   0.455
  638   2HD2  ASN  98          1HD2      ASN  98  13.141  -0.577  -0.577
  639    H    ASN  99           HN       ASN  99  14.520   0.151   0.151
  640    HA   ASN  99           HA       ASN  99  12.357   1.860   1.860
  641   1HB   ASN  99          2HB       ASN  99  12.252   1.112   1.112
  642   2HB   ASN  99          3HB       ASN  99  13.861   1.579   1.579
  643   1HD2  ASN  99          2HD2      ASN  99  15.303  -1.640  -1.640
  644   2HD2  ASN  99          1HD2      ASN  99  15.383  -0.054  -0.054
  645    H    PHE 100           HN       PHE 100  10.625   0.568   0.568
  646    HA   PHE 100           HA       PHE 100   9.575  -1.745  -1.745
  647   1HB   PHE 100          2HB       PHE 100   8.243   0.916   0.916
  648   2HB   PHE 100          3HB       PHE 100   7.263  -0.527  -0.527
  649    HD1  PHE 100           HD2      PHE 100   7.677  -1.862  -1.862
  650    HD2  PHE 100           HD1      PHE 100   8.550   2.250   2.250
  651    HE1  PHE 100           HE2      PHE 100   7.565  -1.493  -1.493
  652    HE2  PHE 100           HE1      PHE 100   8.438   2.620   2.620
  653    HZ   PHE 100           HZ       PHE 100   7.947   0.744   0.744
  654    H    VAL 101           HN       VAL 101   7.781  -2.841  -2.841
  655    HA   VAL 101           HA       VAL 101   7.727  -2.242  -2.242
  656    HB   VAL 101           HB       VAL 101   8.728  -4.354  -4.354
  657   1HG1  VAL 101          2HG1      VAL 101  10.030  -2.197  -2.197
  658   2HG1  VAL 101          3HG1      VAL 101  10.711  -2.786  -2.786
  659   3HG1  VAL 101          1HG1      VAL 101  11.018  -3.677  -3.677
  660   1HG2  VAL 101          1HG2      VAL 101   9.542  -4.669  -4.669
  661   2HG2  VAL 101          2HG2      VAL 101   8.431  -5.713  -5.713
  662   3HG2  VAL 101          3HG2      VAL 101  10.158  -5.654  -5.654
  663    H    GLU 102           HN       GLU 102   5.790  -2.933  -2.933
  664    HA   GLU 102           HA       GLU 102   3.881  -3.898  -3.898
  665   1HB   GLU 102          2HB       GLU 102   2.892  -4.651  -4.651
  666   2HB   GLU 102          3HB       GLU 102   2.829  -3.014  -3.014
  667   1HG   GLU 102          2HG       GLU 102   4.675  -2.298  -2.298
  668   2HG   GLU 102          3HG       GLU 102   5.305  -3.923  -3.923
  669    H    CYS 103           HN       CYS 103   3.394  -5.897  -5.897
  670    HA   CYS 103           HA       CYS 103   5.074  -8.042  -8.042
  671   1HB   CYS 103          2HB       CYS 103   2.184  -8.071  -8.071
  672   2HB   CYS 103          3HB       CYS 103   3.334  -9.375  -9.375
  673    H    THR 104           HN       THR 104   3.445 -10.306 -10.306
  674    HA   THR 104           HA       THR 104   2.732  -9.839  -9.839
  675    HB   THR 104           HB       THR 104   3.594 -12.150 -12.150
  676    HG1  THR 104           HG1      THR 104   3.850 -13.352 -13.352
  677   1HG2  THR 104          3HG2      THR 104   5.288  -9.978  -9.978
  678   2HG2  THR 104          1HG2      THR 104   5.982 -11.600 -11.600
  679   3HG2  THR 104          2HG2      THR 104   5.585 -11.038 -11.038

  Start of MODEL    4
    1    H    ALA   1           HN       ALA   1 -10.107 -14.454 -14.454
    2    HA   ALA   1           HA       ALA   1  -9.494 -13.857 -13.857
    3   1HB   ALA   1          2HB       ALA   1 -10.056 -16.271 -16.271
    4   2HB   ALA   1          3HB       ALA   1  -8.304 -16.583 -16.583
    5   3HB   ALA   1          1HB       ALA   1  -9.161 -16.053 -16.053
    6    H    CYS   2           HN       CYS   2  -6.954 -14.181 -14.181
    7    HA   CYS   2           HA       CYS   2  -5.175 -12.786 -12.786
    8   1HB   CYS   2          2HB       CYS   2  -3.539 -14.945 -14.945
    9   2HB   CYS   2          3HB       CYS   2  -3.955 -14.420 -14.420
   10    H    ASP   3           HN       ASP   3  -4.228 -11.341 -11.341
   11    HA   ASP   3           HA       ASP   3  -3.620 -12.317 -12.317
   12   1HB   ASP   3          2HB       ASP   3  -5.420 -10.068 -10.068
   13   2HB   ASP   3          3HB       ASP   3  -4.270  -9.676  -9.676
   14    H    TYR   4           HN       TYR   4  -2.684 -10.911 -10.911
   15    HA   TYR   4           HA       TYR   4  -0.343  -9.673  -9.673
   16   1HB   TYR   4          2HB       TYR   4  -2.085  -8.706  -8.706
   17   2HB   TYR   4          3HB       TYR   4  -0.584  -7.935  -7.935
   18    HD1  TYR   4           HD2      TYR   4  -0.446  -6.968  -6.968
   19    HD2  TYR   4           HD1      TYR   4  -4.123  -8.044  -8.044
   20    HE1  TYR   4           HE2      TYR   4  -1.727  -5.484  -5.484
   21    HE2  TYR   4           HE1      TYR   4  -5.392  -6.556  -6.556
   22    HH   TYR   4           HH       TYR   4  -4.845  -5.732  -5.732
   23    H    THR   5           HN       THR   5   0.975 -11.476 -11.476
   24    HA   THR   5           HA       THR   5   1.120 -12.232 -12.232
   25    HB   THR   5           HB       THR   5   2.017 -13.516 -13.516
   26    HG1  THR   5           HG1      THR   5   0.352 -14.371 -14.371
   27   1HG2  THR   5          1HG2      THR   5   3.123 -13.896 -13.896
   28   2HG2  THR   5          2HG2      THR   5   2.177 -15.331 -15.331
   29   3HG2  THR   5          3HG2      THR   5   3.515 -14.779 -14.779
   30    H    CYS   6           HN       CYS   6   2.395 -10.889 -10.889
   31    HA   CYS   6           HA       CYS   6   4.674  -9.700  -9.700
   32   1HB   CYS   6          2HB       CYS   6   3.409  -9.524  -9.524
   33   2HB   CYS   6          3HB       CYS   6   5.034  -8.916  -8.916
   34    H    GLY   7           HN       GLY   7   5.350 -12.138 -12.138
   35   1HA   GLY   7          1HA       GLY   7   7.012 -13.636 -13.636
   36   2HA   GLY   7          2HA       GLY   7   7.544 -12.742 -12.742
   37    H    SER   8           HN       SER   8   5.502 -12.816 -12.816
   38    HA   SER   8           HA       SER   8   4.787 -15.631 -15.631
   39   1HB   SER   8          2HB       SER   8   5.491 -15.790 -15.790
   40   2HB   SER   8          3HB       SER   8   6.820 -15.016 -15.016
   41    HG   SER   8           HG       SER   8   5.662 -14.104 -14.104
   42    H    ASN   9           HN       ASN   9   2.966 -13.916 -13.916
   43    HA   ASN   9           HA       ASN   9   1.158 -13.578 -13.578
   44   1HB   ASN   9          2HB       ASN   9   1.477 -11.506 -11.506
   45   2HB   ASN   9          3HB       ASN   9   0.399 -11.384 -11.384
   46   1HD2  ASN   9          2HD2      ASN   9   4.504 -11.097 -11.097
   47   2HD2  ASN   9          1HD2      ASN   9   3.831 -12.117 -12.117
   48    H    CYS  10           HN       CYS  10  -1.114 -12.707 -12.707
   49    HA   CYS  10           HA       CYS  10  -1.494 -13.703 -13.703
   50   1HB   CYS  10          2HB       CYS  10  -1.234 -15.821 -15.821
   51   2HB   CYS  10          3HB       CYS  10  -2.964 -15.553 -15.553
   52    H    TYR  11           HN       TYR  11  -2.179 -11.319 -11.319
   53    HA   TYR  11           HA       TYR  11  -5.027 -11.515 -11.515
   54   1HB   TYR  11          2HB       TYR  11  -4.306  -9.041  -9.041
   55   2HB   TYR  11          3HB       TYR  11  -4.059 -10.441 -10.441
   56    HD1  TYR  11           HD2      TYR  11  -2.076  -9.410  -9.410
   57    HD2  TYR  11           HD1      TYR  11  -2.156  -9.872  -9.872
   58    HE1  TYR  11           HE2      TYR  11   0.412  -8.898  -8.898
   59    HE2  TYR  11           HE1      TYR  11   0.333  -9.359  -9.359
   60    HH   TYR  11           HH       TYR  11   1.938  -7.911  -7.911
   61    H    SER  12           HN       SER  12  -5.974 -11.287 -11.287
   62    HA   SER  12           HA       SER  12  -4.897  -9.679  -9.679
   63   1HB   SER  12          2HB       SER  12  -7.146  -9.966  -9.966
   64   2HB   SER  12          3HB       SER  12  -6.429 -11.474 -11.474
   65    HG   SER  12           HG       SER  12  -8.434 -11.676 -11.676
   66    H    SER  13           HN       SER  13  -6.692  -7.942  -7.942
   67    HA   SER  13           HA       SER  13  -6.414  -5.703  -5.703
   68   1HB   SER  13          2HB       SER  13  -8.319  -4.793  -4.793
   69   2HB   SER  13          3HB       SER  13  -6.898  -5.417  -5.417
   70    HG   SER  13           HG       SER  13  -9.328  -6.928  -6.928
   71    H    SER  14           HN       SER  14  -8.591  -8.352  -8.352
   72    HA   SER  14           HA       SER  14 -10.614  -6.803  -6.803
   73   1HB   SER  14          2HB       SER  14 -11.153  -8.900  -8.900
   74   2HB   SER  14          3HB       SER  14 -10.146  -9.816  -9.816
   75    HG   SER  14           HG       SER  14 -11.761  -8.529  -8.529
   76    H    ASP  15           HN       ASP  15  -7.669  -8.593  -8.593
   77    HA   ASP  15           HA       ASP  15  -8.331  -8.645  -8.645
   78   1HB   ASP  15          2HB       ASP  15  -6.053  -9.522  -9.522
   79   2HB   ASP  15          3HB       ASP  15  -5.647  -9.169  -9.169
   80    H    VAL  16           HN       VAL  16  -6.234  -6.813  -6.813
   81    HA   VAL  16           HA       VAL  16  -4.736  -5.357  -5.357
   82    HB   VAL  16           HB       VAL  16  -5.838  -4.670  -4.670
   83   1HG1  VAL  16          3HG1      VAL  16  -4.454  -2.975  -2.975
   84   2HG1  VAL  16          1HG1      VAL  16  -3.459  -3.228  -3.228
   85   3HG1  VAL  16          2HG1      VAL  16  -5.110  -2.580  -2.580
   86   1HG2  VAL  16          2HG2      VAL  16  -4.287  -6.672  -6.672
   87   2HG2  VAL  16          3HG2      VAL  16  -3.769  -5.436  -5.436
   88   3HG2  VAL  16          1HG2      VAL  16  -3.023  -5.500  -5.500
   89    H    SER  17           HN       SER  17  -7.965  -4.547  -4.547
   90    HA   SER  17           HA       SER  17  -8.431  -2.152  -2.152
   91   1HB   SER  17          2HB       SER  17 -10.049  -3.731  -3.731
   92   2HB   SER  17          3HB       SER  17 -10.441  -4.412  -4.412
   93    HG   SER  17           HG       SER  17 -10.587  -1.574  -1.574
   94    H    THR  18           HN       THR  18  -8.906  -5.177  -5.177
   95    HA   THR  18           HA       THR  18  -9.729  -4.054  -4.054
   96    HB   THR  18           HB       THR  18  -8.177  -6.508  -6.508
   97    HG1  THR  18           HG1      THR  18 -10.498  -6.063  -6.063
   98   1HG2  THR  18          1HG2      THR  18  -8.551  -5.488  -5.488
   99   2HG2  THR  18          2HG2      THR  18  -8.520  -7.231  -7.231
  100   3HG2  THR  18          3HG2      THR  18  -7.100  -6.222  -6.222
  101    H    ALA  19           HN       ALA  19  -6.293  -4.581  -4.581
  102    HA   ALA  19           HA       ALA  19  -5.177  -3.458  -3.458
  103   1HB   ALA  19          2HB       ALA  19  -4.350  -4.435  -4.435
  104   2HB   ALA  19          3HB       ALA  19  -3.464  -2.944  -2.944
  105   3HB   ALA  19          1HB       ALA  19  -3.417  -4.334  -4.334
  106    H    GLN  20           HN       GLN  20  -6.263  -2.012  -2.012
  107    HA   GLN  20           HA       GLN  20  -5.232   0.506   0.506
  108   1HB   GLN  20          2HB       GLN  20  -7.812  -0.034  -0.034
  109   2HB   GLN  20          3HB       GLN  20  -6.640   1.233   1.233
  110   1HG   GLN  20          2HG       GLN  20  -4.987  -0.355  -0.355
  111   2HG   GLN  20          3HG       GLN  20  -5.927  -1.721  -1.721
  112   1HE2  GLN  20          2HE2      GLN  20  -7.515   0.468   0.468
  113   2HE2  GLN  20          1HE2      GLN  20  -6.807   1.238   1.238
  114    H    ALA  21           HN       ALA  21  -8.616  -0.736  -0.736
  115    HA   ALA  21           HA       ALA  21  -9.879   1.368   1.368
  116   1HB   ALA  21          1HB       ALA  21  -9.803  -1.489  -1.489
  117   2HB   ALA  21          2HB       ALA  21 -10.956  -0.289  -0.289
  118   3HB   ALA  21          3HB       ALA  21 -10.987  -0.732  -0.732
  119    H    ALA  22           HN       ALA  22  -7.230  -0.402  -0.402
  120    HA   ALA  22           HA       ALA  22  -7.540   0.939   0.939
  121   1HB   ALA  22          3HB       ALA  22  -6.383  -1.302  -1.302
  122   2HB   ALA  22          1HB       ALA  22  -5.004  -0.327  -0.327
  123   3HB   ALA  22          2HB       ALA  22  -5.548  -0.207  -0.207
  124    H    GLY  23           HN       GLY  23  -5.161   1.284   1.284
  125   1HA   GLY  23          1HA       GLY  23  -3.808   3.496   3.496
  126   2HA   GLY  23          2HA       GLY  23  -3.978   3.058   3.058
  127    H    TYR  24           HN       TYR  24  -6.821   3.288   3.288
  128    HA   TYR  24           HA       TYR  24  -7.031   6.050   6.050
  129   1HB   TYR  24          2HB       TYR  24  -8.208   3.761   3.761
  130   2HB   TYR  24          3HB       TYR  24  -9.386   4.142   4.142
  131    HD1  TYR  24           HD1      TYR  24  -7.792   5.441   5.441
  132    HD2  TYR  24           HD2      TYR  24 -11.043   5.815   5.815
  133    HE1  TYR  24           HE1      TYR  24  -8.970   7.031   7.031
  134    HE2  TYR  24           HE2      TYR  24 -12.211   7.404   7.404
  135    HH   TYR  24           HH       TYR  24 -12.247   7.961   7.961
  136    H    LYS  25           HN       LYS  25  -8.987   3.936   3.936
  137    HA   LYS  25           HA       LYS  25 -10.408   5.810   5.810
  138   1HB   LYS  25          2HB       LYS  25 -10.575   3.393   3.393
  139   2HB   LYS  25          3HB       LYS  25  -9.052   3.409   3.409
  140   1HG   LYS  25          2HG       LYS  25 -10.785   3.502   3.502
  141   2HG   LYS  25          3HG       LYS  25 -10.071   5.103   5.103
  142   1HD   LYS  25          2HD       LYS  25 -11.916   5.960   5.960
  143   2HD   LYS  25          3HD       LYS  25 -12.566   4.351   4.351
  144   1HE   LYS  25          2HE       LYS  25 -13.875   5.479   5.479
  145   2HE   LYS  25          3HE       LYS  25 -12.979   4.168   4.168
  146   1HZ   LYS  25          1HZ       LYS  25 -11.411   6.475   6.475
  147   2HZ   LYS  25          2HZ       LYS  25 -12.872   6.837   6.837
  148   3HZ   LYS  25          3HZ       LYS  25 -11.981   5.626   5.626
  149    H    LEU  26           HN       LEU  26  -7.121   4.727   4.727
  150    HA   LEU  26           HA       LEU  26  -6.880   6.698   6.698
  151   1HB   LEU  26          2HB       LEU  26  -5.529   4.723   4.723
  152   2HB   LEU  26          3HB       LEU  26  -4.830   5.120   5.120
  153    HG   LEU  26           HG       LEU  26  -4.153   7.335   7.335
  154   1HD1  LEU  26          2HD1      LEU  26  -5.075   6.263   6.263
  155   2HD1  LEU  26          3HD1      LEU  26  -3.862   4.972   4.972
  156   3HD1  LEU  26          1HD1      LEU  26  -3.342   6.651   6.651
  157   1HD2  LEU  26          3HD2      LEU  26  -2.827   4.934   4.934
  158   2HD2  LEU  26          1HD2      LEU  26  -2.343   6.645   6.645
  159   3HD2  LEU  26          2HD2      LEU  26  -1.975   5.685   5.685
  160    H    HIS  27           HN       HIS  27  -6.282   6.723   6.723
  161    HA   HIS  27           HA       HIS  27  -4.832   9.128   9.128
  162   1HB   HIS  27          2HB       HIS  27  -4.663   7.620   7.620
  163   2HB   HIS  27          3HB       HIS  27  -6.395   7.637   7.637
  164    HD1  HIS  27           HD1      HIS  27  -3.693  10.374  10.374
  165    HD2  HIS  27           HD2      HIS  27  -6.969   9.167   9.167
  166    HE1  HIS  27           HE1      HIS  27  -3.871  12.054  12.054
  167    HE2  HIS  27           HE2      HIS  27  -5.867  11.230  11.230
  168    H    GLU  28           HN       GLU  28  -8.325   8.354   8.354
  169    HA   GLU  28           HA       GLU  28  -9.105  10.939  10.939
  170   1HB   GLU  28          2HB       GLU  28 -11.198   9.517   9.517
  171   2HB   GLU  28          3HB       GLU  28 -11.089   9.902   9.902
  172   1HG   GLU  28          2HG       GLU  28  -9.651   7.894   7.894
  173   2HG   GLU  28          3HG       GLU  28  -9.728   7.514   7.514
  174    H    ASP  29           HN       ASP  29  -8.258   9.322   9.322
  175    HA   ASP  29           HA       ASP  29  -9.550  11.339  11.339
  176   1HB   ASP  29          2HB       ASP  29  -7.988   8.812   8.812
  177   2HB   ASP  29          3HB       ASP  29  -8.068   9.998   9.998
  178    H    GLY  30           HN       GLY  30  -6.537  10.752  10.752
  179   1HA   GLY  30          1HA       GLY  30  -4.707  12.070  12.070
  180   2HA   GLY  30          2HA       GLY  30  -5.393  13.195  13.195
  181    H    GLU  31           HN       GLU  31  -5.216   9.773   9.773
  182    HA   GLU  31           HA       GLU  31  -3.226  10.508  10.508
  183   1HB   GLU  31          2HB       GLU  31  -5.221   8.227   8.227
  184   2HB   GLU  31          3HB       GLU  31  -3.919   8.189   8.189
  185   1HG   GLU  31          2HG       GLU  31  -5.858  10.534  10.534
  186   2HG   GLU  31          3HG       GLU  31  -6.155   9.161   9.161
  187    H    THR  32           HN       THR  32  -1.791   8.383   8.383
  188    HA   THR  32           HA       THR  32  -0.817   7.240   7.240
  189    HB   THR  32           HB       THR  32   1.496   7.632   7.632
  190    HG1  THR  32           HG1      THR  32   0.513   7.614   7.614
  191   1HG2  THR  32          3HG2      THR  32  -0.238  10.155  10.155
  192   2HG2  THR  32          1HG2      THR  32   1.533  10.128  10.128
  193   3HG2  THR  32          2HG2      THR  32   0.493   9.509   9.509
  194    H    VAL  33           HN       VAL  33   0.920   5.421   5.421
  195    HA   VAL  33           HA       VAL  33  -0.168   3.928   3.928
  196    HB   VAL  33           HB       VAL  33  -0.562   1.992   1.992
  197   1HG1  VAL  33          3HG1      VAL  33  -2.056   4.194   4.194
  198   2HG1  VAL  33          1HG1      VAL  33  -1.576   3.841   3.841
  199   3HG1  VAL  33          2HG1      VAL  33  -2.431   2.609   2.609
  200   1HG2  VAL  33          3HG2      VAL  33   1.466   2.052   2.052
  201   2HG2  VAL  33          1HG2      VAL  33   0.019   1.695   1.695
  202   3HG2  VAL  33          2HG2      VAL  33   0.738   3.324   3.324
  203    H    GLY  34           HN       GLY  34   1.332   2.370   2.370
  204   1HA   GLY  34          1HA       GLY  34   3.372   1.637   1.637
  205   2HA   GLY  34          2HA       GLY  34   3.858   1.830   1.830
  206    H    SER  35           HN       SER  35   5.984   2.543   2.543
  207    HA   SER  35           HA       SER  35   5.953   5.104   5.104
  208   1HB   SER  35          2HB       SER  35   8.362   3.383   3.383
  209   2HB   SER  35          3HB       SER  35   8.328   4.725   4.725
  210    HG   SER  35           HG       SER  35   6.657   3.379   3.379
  211    H    ASN  36           HN       ASN  36   5.033   4.880   4.880
  212    HA   ASN  36           HA       ASN  36   7.152   6.452   6.452
  213   1HB   ASN  36          2HB       ASN  36   5.675   4.080   4.080
  214   2HB   ASN  36          3HB       ASN  36   5.613   5.428   5.428
  215   1HD2  ASN  36          2HD2      ASN  36   8.566   3.644   3.644
  216   2HD2  ASN  36          1HD2      ASN  36   6.837   3.571   3.571
  217    H    SER  37           HN       SER  37   5.611   7.226   7.226
  218    HA   SER  37           HA       SER  37   3.384   8.612   8.612
  219   1HB   SER  37          2HB       SER  37   3.830  10.513  10.513
  220   2HB   SER  37          3HB       SER  37   5.198  10.186  10.186
  221    HG   SER  37           HG       SER  37   5.113   8.895   8.895
  222    H    TYR  38           HN       TYR  38   3.015   6.065   6.065
  223    HA   TYR  38           HA       TYR  38   2.047   6.515   6.515
  224   1HB   TYR  38          2HB       TYR  38   2.323   4.116   4.116
  225   2HB   TYR  38          3HB       TYR  38   1.677   3.957   3.957
  226    HD1  TYR  38           HD2      TYR  38   4.537   6.133   6.133
  227    HD2  TYR  38           HD1      TYR  38   3.310   2.499   2.499
  228    HE1  TYR  38           HE2      TYR  38   6.889   5.806   5.806
  229    HE2  TYR  38           HE1      TYR  38   5.666   2.184   2.184
  230    HH   TYR  38           HH       TYR  38   8.293   4.040   4.040
  231    HA   PRO  39           HA       PRO  39   0.786   5.369   5.369
  232   1HB   PRO  39          2HB       PRO  39  -1.235   6.178   6.178
  233   2HB   PRO  39          3HB       PRO  39  -1.119   4.554   4.554
  234   1HG   PRO  39          2HG       PRO  39  -2.934   6.745   6.745
  235   2HG   PRO  39          3HG       PRO  39  -3.077   5.028   5.028
  236   1HD   PRO  39          2HD       PRO  39  -2.232   7.053   7.053
  237   2HD   PRO  39          3HD       PRO  39  -2.264   5.325   5.325
  238    H    HIS  40           HN       HIS  40   0.678   6.793   6.793
  239    HA   HIS  40           HA       HIS  40   0.668   9.532   9.532
  240   1HB   HIS  40          2HB       HIS  40   2.989  10.119  10.119
  241   2HB   HIS  40          3HB       HIS  40   2.561   9.103   9.103
  242    HD1  HIS  40           HD1      HIS  40   4.195   8.712   8.712
  243    HD2  HIS  40           HD2      HIS  40   4.266   6.997   6.997
  244    HE1  HIS  40           HE1      HIS  40   6.052   6.962   6.962
  245    HE2  HIS  40           HE2      HIS  40   6.084   5.981   5.981
  246    H    LYS  41           HN       LYS  41   1.890  10.651  10.651
  247    HA   LYS  41           HA       LYS  41   0.945   9.633   9.633
  248   1HB   LYS  41          2HB       LYS  41   2.481  11.857  11.857
  249   2HB   LYS  41          3HB       LYS  41   3.355  11.140  11.140
  250   1HG   LYS  41          2HG       LYS  41   1.813  12.678  12.678
  251   2HG   LYS  41          3HG       LYS  41   1.135  11.087  11.087
  252   1HD   LYS  41          2HD       LYS  41  -0.561  12.775  12.775
  253   2HD   LYS  41          3HD       LYS  41  -0.463  11.344  11.344
  254   1HE   LYS  41          2HE       LYS  41  -0.519  13.566  13.566
  255   2HE   LYS  41          3HE       LYS  41   0.793  12.489  12.489
  256   1HZ   LYS  41          2HZ       LYS  41   1.230  14.444  14.444
  257   2HZ   LYS  41          3HZ       LYS  41   1.262  14.940  14.940
  258   3HZ   LYS  41          1HZ       LYS  41   2.305  13.793  13.793
  259    H    TYR  42           HN       TYR  42   2.380   9.003   9.003
  260    HA   TYR  42           HA       TYR  42   4.668   7.391   7.391
  261   1HB   TYR  42          2HB       TYR  42   2.804   5.836   5.836
  262   2HB   TYR  42          3HB       TYR  42   1.934   6.381   6.381
  263    HD1  TYR  42           HD1      TYR  42   2.625   5.647   5.647
  264    HD2  TYR  42           HD2      TYR  42   4.561   4.173   4.173
  265    HE1  TYR  42           HE1      TYR  42   3.637   3.741   3.741
  266    HE2  TYR  42           HE2      TYR  42   5.567   2.273   2.273
  267    HH   TYR  42           HH       TYR  42   4.600   1.720   1.720
  268    H    ASN  43           HN       ASN  43   3.481   9.714   9.714
  269    HA   ASN  43           HA       ASN  43   3.230   9.653   9.653
  270   1HB   ASN  43          2HB       ASN  43   5.552  10.837  10.837
  271   2HB   ASN  43          3HB       ASN  43   5.788  10.724  10.724
  272   1HD2  ASN  43          2HD2      ASN  43   2.279  12.636  12.636
  273   2HD2  ASN  43          1HD2      ASN  43   2.675  11.047  11.047
  274    H    ASN  44           HN       ASN  44   3.296   7.448   7.448
  275    HA   ASN  44           HA       ASN  44   5.409   5.770   5.770
  276   1HB   ASN  44          2HB       ASN  44   4.321   4.588   4.588
  277   2HB   ASN  44          3HB       ASN  44   3.018   5.423   5.423
  278   1HD2  ASN  44          2HD2      ASN  44   4.229   6.463   6.463
  279   2HD2  ASN  44          1HD2      ASN  44   5.171   5.442   5.442
  280    H    TYR  45           HN       TYR  45   6.745   5.105   5.105
  281    HA   TYR  45           HA       TYR  45   7.277   6.983   6.983
  282   1HB   TYR  45          2HB       TYR  45   8.669   7.188   7.188
  283   2HB   TYR  45          3HB       TYR  45   9.756   7.204   7.204
  284    HD1  TYR  45           HD1      TYR  45   6.765   8.569   8.569
  285    HD2  TYR  45           HD2      TYR  45  10.092   9.530   9.530
  286    HE1  TYR  45           HE1      TYR  45   6.308  11.048  11.048
  287    HE2  TYR  45           HE2      TYR  45   9.623  12.006  12.006
  288    HH   TYR  45           HH       TYR  45   8.429  13.354  13.354
  289    H    GLU  46           HN       GLU  46   8.698   4.502   4.502
  290    HA   GLU  46           HA       GLU  46  10.681   3.557   3.557
  291   1HB   GLU  46          2HB       GLU  46   8.665   1.936   1.936
  292   2HB   GLU  46          3HB       GLU  46  10.200   1.308   1.308
  293   1HG   GLU  46          2HG       GLU  46   9.632   3.166   3.166
  294   2HG   GLU  46          3HG       GLU  46  10.966   2.048   2.048
  295    H    GLY  47           HN       GLY  47   7.287   3.542   3.542
  296   1HA   GLY  47          1HA       GLY  47   6.822   3.205   3.205
  297   2HA   GLY  47          2HA       GLY  47   7.840   1.779   1.779
  298    H    PHE  48           HN       PHE  48   5.135   3.114   3.114
  299    HA   PHE  48           HA       PHE  48   4.029   0.410   0.410
  300   1HB   PHE  48          2HB       PHE  48   3.646   3.006   3.006
  301   2HB   PHE  48          3HB       PHE  48   2.622   1.607   1.607
  302    HD1  PHE  48           HD2      PHE  48   3.636  -0.511  -0.511
  303    HD2  PHE  48           HD1      PHE  48   5.826   3.119   3.119
  304    HE1  PHE  48           HE2      PHE  48   5.310  -1.436  -1.436
  305    HE2  PHE  48           HE1      PHE  48   7.500   2.194   2.194
  306    HZ   PHE  48           HZ       PHE  48   7.222  -0.073  -0.073
  307    H    ASP  49           HN       ASP  49   2.081  -0.094  -0.094
  308    HA   ASP  49           HA       ASP  49   0.881   2.039   2.039
  309   1HB   ASP  49          2HB       ASP  49  -0.157  -0.788  -0.788
  310   2HB   ASP  49          3HB       ASP  49  -0.021   0.362   0.362
  311    H    PHE  50           HN       PHE  50   0.073   2.946   2.946
  312    HA   PHE  50           HA       PHE  50  -1.896   1.432   1.432
  313   1HB   PHE  50          2HB       PHE  50  -0.993   4.370   4.370
  314   2HB   PHE  50          3HB       PHE  50  -2.201   3.801   3.801
  315    HD1  PHE  50           HD1      PHE  50  -0.275   1.047   1.047
  316    HD2  PHE  50           HD2      PHE  50   0.042   5.076   5.076
  317    HE1  PHE  50           HE1      PHE  50   1.541   0.389   0.389
  318    HE2  PHE  50           HE2      PHE  50   1.858   4.418   4.418
  319    HZ   PHE  50           HZ       PHE  50   2.586   2.082   2.082
  320    H    SER  51           HN       SER  51  -3.828   0.962   0.962
  321    HA   SER  51           HA       SER  51  -4.891   2.680   2.680
  322   1HB   SER  51          2HB       SER  51  -6.677   1.061   1.061
  323   2HB   SER  51          3HB       SER  51  -5.184   0.173   0.173
  324    HG   SER  51           HG       SER  51  -5.722  -0.242  -0.242
  325    H    VAL  52           HN       VAL  52  -4.433   3.841   3.841
  326    HA   VAL  52           HA       VAL  52  -7.201   4.686   4.686
  327    HB   VAL  52           HB       VAL  52  -6.816   4.708   4.708
  328   1HG1  VAL  52          2HG1      VAL  52  -7.393   2.514   2.514
  329   2HG1  VAL  52          3HG1      VAL  52  -5.662   2.098   2.098
  330   3HG1  VAL  52          1HG1      VAL  52  -6.520   2.362   2.362
  331   1HG2  VAL  52          3HG2      VAL  52  -3.938   3.952   3.952
  332   2HG2  VAL  52          1HG2      VAL  52  -4.520   5.492   5.492
  333   3HG2  VAL  52          2HG2      VAL  52  -4.662   3.993   3.993
  334    H    SER  53           HN       SER  53  -7.387   6.912   6.912
  335    HA   SER  53           HA       SER  53  -5.356   8.529   8.529
  336   1HB   SER  53          2HB       SER  53  -7.932   8.839   8.839
  337   2HB   SER  53          3HB       SER  53  -7.860   9.525   9.525
  338    HG   SER  53           HG       SER  53  -6.087  10.964  10.964
  339    H    SER  54           HN       SER  54  -4.101  10.129  10.129
  340    HA   SER  54           HA       SER  54  -3.371   9.406   9.406
  341   1HB   SER  54          2HB       SER  54  -1.700  10.984  10.984
  342   2HB   SER  54          3HB       SER  54  -2.154  10.802  10.802
  343    HG   SER  54           HG       SER  54  -2.644  12.959  12.959
  344    HA   PRO  55           HA       PRO  55  -2.181  11.234  11.234
  345   1HB   PRO  55          2HB       PRO  55  -1.919  11.542  11.542
  346   2HB   PRO  55          3HB       PRO  55  -1.813  12.876  12.876
  347   1HG   PRO  55          2HG       PRO  55  -4.030  12.159  12.159
  348   2HG   PRO  55          3HG       PRO  55  -3.722  13.684  13.684
  349   1HD   PRO  55          2HD       PRO  55  -5.671  11.714  11.714
  350   2HD   PRO  55          3HD       PRO  55  -5.283  13.184  13.184
  351    H    TYR  56           HN       TYR  56  -0.706   9.610   9.610
  352    HA   TYR  56           HA       TYR  56  -2.260   7.203   7.203
  353   1HB   TYR  56          2HB       TYR  56   0.637   7.804   7.804
  354   2HB   TYR  56          3HB       TYR  56   0.012   6.179   6.179
  355    HD1  TYR  56           HD1      TYR  56  -2.807   6.971   6.971
  356    HD2  TYR  56           HD2      TYR  56   1.237   7.427   7.427
  357    HE1  TYR  56           HE1      TYR  56  -3.591   6.978   6.978
  358    HE2  TYR  56           HE2      TYR  56   0.440   7.431   7.431
  359    HH   TYR  56           HH       TYR  56  -1.322   6.815   6.815
  360    H    TYR  57           HN       TYR  57  -2.372   6.477   6.477
  361    HA   TYR  57           HA       TYR  57  -0.329   7.432   7.432
  362   1HB   TYR  57          2HB       TYR  57  -3.058   6.030   6.030
  363   2HB   TYR  57          3HB       TYR  57  -2.114   6.654   6.654
  364    HD1  TYR  57           HD2      TYR  57  -1.312   9.170   9.170
  365    HD2  TYR  57           HD1      TYR  57  -4.949   7.431   7.431
  366    HE1  TYR  57           HE2      TYR  57  -2.482  11.416  11.416
  367    HE2  TYR  57           HE1      TYR  57  -6.107   9.683   9.683
  368    HH   TYR  57           HH       TYR  57  -4.651  12.451  12.451
  369    H    GLU  58           HN       GLU  58   1.143   6.067   6.067
  370    HA   GLU  58           HA       GLU  58   0.982   3.313   3.313
  371   1HB   GLU  58          2HB       GLU  58   3.333   3.176   3.176
  372   2HB   GLU  58          3HB       GLU  58   3.105   4.505   4.505
  373   1HG   GLU  58          2HG       GLU  58   4.427   5.379   5.379
  374   2HG   GLU  58          3HG       GLU  58   2.822   6.051   6.051
  375    H    TRP  59           HN       TRP  59   0.945   1.523   1.523
  376    HA   TRP  59           HA       TRP  59   1.025   1.960   1.960
  377   1HB   TRP  59          2HB       TRP  59  -1.175   2.765   2.765
  378   2HB   TRP  59          3HB       TRP  59  -1.620   1.529   1.529
  379    HD1  TRP  59           HD1      TRP  59  -2.250  -0.922  -0.922
  380    HE1  TRP  59           HE1      TRP  59  -2.928  -1.825  -1.825
  381    HE3  TRP  59           HE3      TRP  59  -0.663   3.164   3.164
  382    HZ2  TRP  59           HZ2      TRP  59  -2.728  -0.754  -0.754
  383    HZ3  TRP  59           HZ3      TRP  59  -0.941   3.155   3.155
  384    HH2  TRP  59           HH2      TRP  59  -1.933   1.285   1.285
  385    HA   PRO  60           HA       PRO  60   2.206  -2.187  -2.187
  386   1HB   PRO  60          2HB       PRO  60   2.428  -2.979  -2.979
  387   2HB   PRO  60          3HB       PRO  60   3.679  -2.086  -2.086
  388   1HG   PRO  60          2HG       PRO  60   1.764  -1.123  -1.123
  389   2HG   PRO  60          3HG       PRO  60   3.265  -0.389  -0.389
  390   1HD   PRO  60          2HD       PRO  60   0.609   0.418   0.418
  391   2HD   PRO  60          3HD       PRO  60   2.111   1.076   1.076
  392    H    ILE  61           HN       ILE  61   1.488  -4.329  -4.329
  393    HA   ILE  61           HA       ILE  61  -1.270  -4.562  -4.562
  394    HB   ILE  61           HB       ILE  61  -1.260  -4.322  -4.322
  395   1HG1  ILE  61          2HG1      ILE  61  -1.854  -7.103  -7.103
  396   2HG1  ILE  61          3HG1      ILE  61  -2.963  -5.761  -5.761
  397   1HG2  ILE  61          3HG2      ILE  61   1.162  -5.209  -5.209
  398   2HG2  ILE  61          1HG2      ILE  61   0.400  -6.813  -6.813
  399   3HG2  ILE  61          2HG2      ILE  61   0.016  -5.551  -5.551
  400   1HD1  ILE  61          3HD1      ILE  61  -1.499  -7.154  -7.154
  401   2HD1  ILE  61          1HD1      ILE  61  -3.198  -7.432  -7.432
  402   3HD1  ILE  61          2HD1      ILE  61  -2.692  -5.843  -5.843
  403    H    LEU  62           HN       LEU  62  -1.426  -5.982  -5.982
  404    HA   LEU  62           HA       LEU  62   0.723  -7.846  -7.846
  405   1HB   LEU  62          2HB       LEU  62  -1.808  -7.255  -7.255
  406   2HB   LEU  62          3HB       LEU  62  -0.578  -8.397  -8.397
  407    HG   LEU  62           HG       LEU  62   0.017  -5.472  -5.472
  408   1HD1  LEU  62          1HD1      LEU  62  -0.941  -6.834  -6.834
  409   2HD1  LEU  62          2HD1      LEU  62  -0.066  -5.284  -5.284
  410   3HD1  LEU  62          3HD1      LEU  62  -1.634  -5.419  -5.419
  411   1HD2  LEU  62          2HD2      LEU  62   1.948  -6.979  -6.979
  412   2HD2  LEU  62          3HD2      LEU  62   1.990  -5.896  -5.896
  413   3HD2  LEU  62          1HD2      LEU  62   1.504  -7.597  -7.597
  414    H    SER  63           HN       SER  63   0.800  -9.882  -9.882
  415    HA   SER  63           HA       SER  63  -1.144 -10.851 -10.851
  416   1HB   SER  63          2HB       SER  63   0.059 -13.098 -13.098
  417   2HB   SER  63          3HB       SER  63   1.031 -11.771 -11.771
  418    HG   SER  63           HG       SER  63   2.135 -11.656 -11.656
  419    H    SER  64           HN       SER  64  -1.129 -10.609 -10.609
  420    HA   SER  64           HA       SER  64  -2.711 -12.933 -12.933
  421   1HB   SER  64          2HB       SER  64  -2.555 -10.691 -10.691
  422   2HB   SER  64          3HB       SER  64  -2.509 -12.422 -12.422
  423    HG   SER  64           HG       SER  64  -0.358 -12.492 -12.492
  424    H    GLY  65           HN       GLY  65  -3.220  -9.669  -9.669
  425   1HA   GLY  65          1HA       GLY  65  -5.186  -8.790  -8.790
  426   2HA   GLY  65          2HA       GLY  65  -6.092 -10.077 -10.077
  427    H    ASP  66           HN       ASP  66  -3.616  -8.040  -8.040
  428    HA   ASP  66           HA       ASP  66  -5.770  -7.085  -7.085
  429   1HB   ASP  66          2HB       ASP  66  -2.777  -7.444  -7.444
  430   2HB   ASP  66          3HB       ASP  66  -3.745  -6.485  -6.485
  431    H    VAL  67           HN       VAL  67  -4.575  -4.844  -4.844
  432    HA   VAL  67           HA       VAL  67  -4.106  -3.121  -3.121
  433    HB   VAL  67           HB       VAL  67  -5.487  -2.748  -2.748
  434   1HG1  VAL  67          2HG1      VAL  67  -4.130  -0.613  -0.613
  435   2HG1  VAL  67          3HG1      VAL  67  -5.564  -0.250  -0.250
  436   3HG1  VAL  67          1HG1      VAL  67  -4.085  -0.873  -0.873
  437   1HG2  VAL  67          2HG2      VAL  67  -6.206  -2.822  -2.822
  438   2HG2  VAL  67          3HG2      VAL  67  -7.232  -2.975  -2.975
  439   3HG2  VAL  67          1HG2      VAL  67  -6.819  -1.363  -1.363
  440    H    TYR  68           HN       TYR  68  -1.917  -2.977  -2.977
  441    HA   TYR  68           HA       TYR  68   0.051  -3.386  -3.386
  442   1HB   TYR  68          2HB       TYR  68   0.834  -2.883  -2.883
  443   2HB   TYR  68          3HB       TYR  68  -0.476  -1.759  -1.759
  444    HD1  TYR  68           HD2      TYR  68   2.688  -2.033  -2.033
  445    HD2  TYR  68           HD1      TYR  68  -0.002   0.518   0.518
  446    HE1  TYR  68           HE2      TYR  68   4.285  -0.079  -0.079
  447    HE2  TYR  68           HE1      TYR  68   1.604   2.464   2.464
  448    HH   TYR  68           HH       TYR  68   4.505   2.343   2.343
  449    H    SER  69           HN       SER  69  -0.052  -2.680  -2.680
  450    HA   SER  69           HA       SER  69  -0.086   0.220   0.220
  451   1HB   SER  69          2HB       SER  69  -1.399   0.053   0.053
  452   2HB   SER  69          3HB       SER  69  -2.234  -0.867  -0.867
  453    HG   SER  69           HG       SER  69  -0.502  -2.554  -2.554
  454    H    GLY  70           HN       GLY  70   2.248  -1.408  -1.408
  455   1HA   GLY  70          1HA       GLY  70   3.391  -1.516  -1.516
  456   2HA   GLY  70          2HA       GLY  70   3.908  -2.497  -2.497
  457    H    GLY  71           HN       GLY  71   4.523  -1.076  -1.076
  458   1HA   GLY  71          1HA       GLY  71   5.383   1.091   1.091
  459   2HA   GLY  71          2HA       GLY  71   6.082   1.256   1.256
  460    H    SER  72           HN       SER  72   6.152  -1.978  -1.978
  461    HA   SER  72           HA       SER  72   8.797  -1.534  -1.534
  462   1HB   SER  72          2HB       SER  72   8.347  -3.843  -3.843
  463   2HB   SER  72          3HB       SER  72   9.866  -3.171  -3.171
  464    HG   SER  72           HG       SER  72   9.358  -1.209  -1.209
  465    HA   PRO  73           HA       PRO  73   6.018  -4.620  -4.620
  466   1HB   PRO  73          2HB       PRO  73   5.012  -3.131  -3.131
  467   2HB   PRO  73          3HB       PRO  73   4.135  -3.424  -3.424
  468   1HG   PRO  73          2HG       PRO  73   5.507  -0.961  -0.961
  469   2HG   PRO  73          3HG       PRO  73   4.291  -1.152  -1.152
  470   1HD   PRO  73          2HD       PRO  73   7.111  -0.802  -0.802
  471   2HD   PRO  73          3HD       PRO  73   5.911  -1.108  -1.108
  472    H    GLY  74           HN       GLY  74   7.807  -2.065  -2.065
  473   1HA   GLY  74          1HA       GLY  74   8.993  -2.303  -2.303
  474   2HA   GLY  74          2HA       GLY  74   9.993  -3.164  -3.164
  475    H    ALA  75           HN       ALA  75   7.753  -3.449  -3.449
  476    HA   ALA  75           HA       ALA  75   8.677  -5.525  -5.525
  477   1HB   ALA  75          2HB       ALA  75   7.429  -6.523  -6.523
  478   2HB   ALA  75          3HB       ALA  75   7.252  -7.497  -7.497
  479   3HB   ALA  75          1HB       ALA  75   8.875  -7.104  -7.104
  480    H    ASP  76           HN       ASP  76   5.558  -6.507  -6.507
  481    HA   ASP  76           HA       ASP  76   4.354  -5.968  -5.968
  482   1HB   ASP  76          2HB       ASP  76   3.018  -6.561  -6.561
  483   2HB   ASP  76          3HB       ASP  76   2.285  -6.766  -6.766
  484    H    ARG  77           HN       ARG  77   3.192  -4.122  -4.122
  485    HA   ARG  77           HA       ARG  77   2.139  -2.405  -2.405
  486   1HB   ARG  77          2HB       ARG  77   4.231  -1.454  -1.454
  487   2HB   ARG  77          3HB       ARG  77   3.230  -0.360  -0.360
  488   1HG   ARG  77          2HG       ARG  77   4.590  -2.440  -2.440
  489   2HG   ARG  77          3HG       ARG  77   5.688  -1.343  -1.343
  490   1HD   ARG  77          2HD       ARG  77   3.822   0.445   0.445
  491   2HD   ARG  77          3HD       ARG  77   3.744  -0.792  -0.792
  492    HE   ARG  77           HE       ARG  77   5.875   1.083   1.083
  493   1HH1  ARG  77           HH2      ARG  77   5.384  -2.331  -2.331
  494   2HH1  ARG  77           HH2      ARG  77   6.862  -2.493  -2.493
  495   1HH2  ARG  77           HH1      ARG  77   7.826   0.869   0.869
  496   2HH2  ARG  77           HH1      ARG  77   8.261  -0.660  -0.660
  497    H    VAL  78           HN       VAL  78   0.228  -1.417  -1.417
  498    HA   VAL  78           HA       VAL  78  -0.391  -1.850  -1.850
  499    HB   VAL  78           HB       VAL  78  -2.774  -1.574  -1.574
  500   1HG1  VAL  78          3HG1      VAL  78  -1.121  -3.966  -3.966
  501   2HG1  VAL  78          1HG1      VAL  78  -2.893  -3.936  -3.936
  502   3HG1  VAL  78          2HG1      VAL  78  -1.869  -3.723  -3.723
  503   1HG2  VAL  78          1HG2      VAL  78  -1.687  -0.735  -0.735
  504   2HG2  VAL  78          2HG2      VAL  78  -3.263  -1.561  -1.561
  505   3HG2  VAL  78          3HG2      VAL  78  -1.800  -2.473  -2.473
  506    H    VAL  79           HN       VAL  79  -0.492  -0.091  -0.091
  507    HA   VAL  79           HA       VAL  79  -0.483   2.513   2.513
  508    HB   VAL  79           HB       VAL  79   0.167   1.605   1.605
  509   1HG1  VAL  79          3HG1      VAL  79  -0.825   4.072   4.072
  510   2HG1  VAL  79          1HG1      VAL  79   0.920   4.341   4.341
  511   3HG1  VAL  79          2HG1      VAL  79   0.306   3.738   3.738
  512   1HG2  VAL  79          2HG2      VAL  79   1.708   1.850   1.850
  513   2HG2  VAL  79          3HG2      VAL  79   2.169   1.148   1.148
  514   3HG2  VAL  79          1HG2      VAL  79   2.367   2.894   2.894
  515    H    PHE  80           HN       PHE  80  -2.129   4.008   4.008
  516    HA   PHE  80           HA       PHE  80  -4.218   3.429   3.429
  517   1HB   PHE  80          2HB       PHE  80  -5.937   3.484   3.484
  518   2HB   PHE  80          3HB       PHE  80  -4.758   2.259   2.259
  519    HD1  PHE  80           HD2      PHE  80  -2.767   3.131   3.131
  520    HD2  PHE  80           HD1      PHE  80  -6.557   5.013   5.013
  521    HE1  PHE  80           HE2      PHE  80  -2.405   4.246   4.246
  522    HE2  PHE  80           HE1      PHE  80  -6.195   6.127   6.127
  523    HZ   PHE  80           HZ       PHE  80  -4.124   5.731   5.731
  524    H    ASN  81           HN       ASN  81  -6.112   5.308   5.308
  525    HA   ASN  81           HA       ASN  81  -4.531   7.749   7.749
  526   1HB   ASN  81          2HB       ASN  81  -7.153   7.813   7.813
  527   2HB   ASN  81          3HB       ASN  81  -5.682   8.708   8.708
  528   1HD2  ASN  81          2HD2      ASN  81  -6.217   4.857   4.857
  529   2HD2  ASN  81          1HD2      ASN  81  -7.082   5.451   5.451
  530    H    GLU  82           HN       GLU  82  -6.636   9.608   9.608
  531    HA   GLU  82           HA       GLU  82  -7.739   8.886   8.886
  532   1HB   GLU  82          2HB       GLU  82  -6.628  11.172  11.172
  533   2HB   GLU  82          3HB       GLU  82  -8.223  11.533  11.533
  534   1HG   GLU  82          2HG       GLU  82  -9.239  11.186  11.186
  535   2HG   GLU  82          3HG       GLU  82  -7.711  10.641  10.641
  536    H    ASN  83           HN       ASN  83  -8.668   7.771   7.771
  537    HA   ASN  83           HA       ASN  83 -11.420   8.698   8.698
  538   1HB   ASN  83          2HB       ASN  83 -11.198   7.051   7.051
  539   2HB   ASN  83          3HB       ASN  83 -11.205   8.804   8.804
  540   1HD2  ASN  83          2HD2      ASN  83  -7.816   6.626   6.626
  541   2HD2  ASN  83          1HD2      ASN  83  -9.331   5.919   5.919
  542    H    ASN  84           HN       ASN  84  -9.164   6.032   6.032
  543    HA   ASN  84           HA       ASN  84  -9.742   4.283   4.283
  544   1HB   ASN  84          2HB       ASN  84 -11.928   3.345   3.345
  545   2HB   ASN  84          3HB       ASN  84 -12.248   5.049   5.049
  546   1HD2  ASN  84          2HD2      ASN  84 -12.511   4.113   4.113
  547   2HD2  ASN  84          1HD2      ASN  84 -11.212   4.796   4.796
  548    H    GLN  85           HN       GLN  85  -8.682   4.799   4.799
  549    HA   GLN  85           HA       GLN  85  -9.260   2.193   2.193
  550   1HB   GLN  85          2HB       GLN  85  -8.115   4.724   4.724
  551   2HB   GLN  85          3HB       GLN  85  -8.275   3.199   3.199
  552   1HG   GLN  85          2HG       GLN  85 -10.715   3.223   3.223
  553   2HG   GLN  85          3HG       GLN  85 -10.621   4.635   4.635
  554   1HE2  GLN  85          2HE2      GLN  85  -9.816   6.952   6.952
  555   2HE2  GLN  85          1HE2      GLN  85  -9.440   6.544   6.544
  556    H    LEU  86           HN       LEU  86  -7.629   0.668   0.668
  557    HA   LEU  86           HA       LEU  86  -5.149   1.274   1.274
  558   1HB   LEU  86          2HB       LEU  86  -5.159  -0.872  -0.872
  559   2HB   LEU  86          3HB       LEU  86  -6.768  -0.942  -0.942
  560    HG   LEU  86           HG       LEU  86  -4.912  -1.218  -1.218
  561   1HD1  LEU  86          3HD1      LEU  86  -3.561  -1.968  -1.968
  562   2HD1  LEU  86          1HD1      LEU  86  -4.365  -3.499  -3.499
  563   3HD1  LEU  86          2HD1      LEU  86  -3.319  -2.688  -2.688
  564   1HD2  LEU  86          3HD2      LEU  86  -7.207  -2.591  -2.591
  565   2HD2  LEU  86          1HD2      LEU  86  -6.719  -2.407  -2.407
  566   3HD2  LEU  86          2HD2      LEU  86  -6.025  -3.714  -3.714
  567    H    ALA  87           HN       ALA  87  -3.185   1.639   1.639
  568    HA   ALA  87           HA       ALA  87  -3.192   2.196   2.196
  569   1HB   ALA  87          3HB       ALA  87  -1.725   2.954   2.954
  570   2HB   ALA  87          1HB       ALA  87  -0.564   2.082   2.082
  571   3HB   ALA  87          2HB       ALA  87  -1.450   3.484   3.484
  572    H    GLY  88           HN       GLY  88  -1.989  -0.414  -0.414
  573   1HA   GLY  88          1HA       GLY  88  -2.114  -2.428  -2.428
  574   2HA   GLY  88          2HA       GLY  88  -0.506  -1.752  -1.752
  575    H    VAL  89           HN       VAL  89   0.671  -3.491  -3.491
  576    HA   VAL  89           HA       VAL  89   0.458  -3.713  -3.713
  577    HB   VAL  89           HB       VAL  89   0.348  -6.060  -6.060
  578   1HG1  VAL  89          3HG1      VAL  89   1.564  -5.948  -5.948
  579   2HG1  VAL  89          1HG1      VAL  89  -0.030  -6.684  -6.684
  580   3HG1  VAL  89          2HG1      VAL  89   1.078  -7.409  -7.409
  581   1HG2  VAL  89          3HG2      VAL  89  -1.670  -4.712  -4.712
  582   2HG2  VAL  89          1HG2      VAL  89  -1.848  -5.349  -5.349
  583   3HG2  VAL  89          2HG2      VAL  89  -1.777  -6.467  -6.467
  584    H    ILE  90           HN       ILE  90   2.416  -2.555  -2.555
  585    HA   ILE  90           HA       ILE  90   4.679  -3.527  -3.527
  586    HB   ILE  90           HB       ILE  90   5.835  -1.631  -1.631
  587   1HG1  ILE  90          2HG1      ILE  90   3.709  -1.651  -1.651
  588   2HG1  ILE  90          3HG1      ILE  90   5.430  -1.354  -1.354
  589   1HG2  ILE  90          3HG2      ILE  90   3.743  -1.470  -1.470
  590   2HG2  ILE  90          1HG2      ILE  90   3.183  -0.359  -0.359
  591   3HG2  ILE  90          2HG2      ILE  90   4.740  -0.070  -0.070
  592   1HD1  ILE  90          3HD1      ILE  90   4.412   0.737   0.737
  593   2HD1  ILE  90          1HD1      ILE  90   3.280   0.566   0.566
  594   3HD1  ILE  90          2HD1      ILE  90   5.007   0.868   0.868
  595    H    THR  91           HN       THR  91   6.799  -3.896  -3.896
  596    HA   THR  91           HA       THR  91   6.533  -4.827  -4.827
  597    HB   THR  91           HB       THR  91   5.582  -6.811  -6.811
  598    HG1  THR  91           HG1      THR  91   7.374  -8.242  -8.242
  599   1HG2  THR  91          1HG2      THR  91   7.701  -6.596  -6.596
  600   2HG2  THR  91          2HG2      THR  91   6.581  -7.964  -7.964
  601   3HG2  THR  91          3HG2      THR  91   5.951  -6.353  -6.353
  602    H    HIS  92           HN       HIS  92   8.531  -5.131  -5.131
  603    HA   HIS  92           HA       HIS  92  10.612  -3.649  -3.649
  604   1HB   HIS  92          2HB       HIS  92  10.394  -5.411  -5.411
  605   2HB   HIS  92          3HB       HIS  92  11.905  -4.643  -4.643
  606    HD1  HIS  92           HD1      HIS  92  11.996  -3.009  -3.009
  607    HD2  HIS  92           HD2      HIS  92   8.466  -2.709  -2.709
  608    HE1  HIS  92           HE1      HIS  92  10.802  -0.911  -0.911
  609    HE2  HIS  92           HE2      HIS  92   8.668  -0.749  -0.749
  610    H    THR  93           HN       THR  93   9.546  -6.875  -6.875
  611    HA   THR  93           HA       THR  93  12.111  -8.040  -8.040
  612    HB   THR  93           HB       THR  93   9.195  -8.777  -8.777
  613    HG1  THR  93           HG1      THR  93  10.397 -10.678 -10.678
  614   1HG2  THR  93          2HG2      THR  93  10.300  -9.565  -9.565
  615   2HG2  THR  93          3HG2      THR  93  11.482 -10.444 -10.444
  616   3HG2  THR  93          1HG2      THR  93   9.760 -10.890 -10.890
  617    H    GLY  94           HN       GLY  94  12.588  -9.052  -9.052
  618   1HA   GLY  94          1HA       GLY  94  13.413  -8.481  -8.481
  619   2HA   GLY  94          2HA       GLY  94  11.708  -8.303  -8.303
  620    H    ALA  95           HN       ALA  95  13.694  -6.258  -6.258
  621    HA   ALA  95           HA       ALA  95  13.200  -4.021  -4.021
  622   1HB   ALA  95          2HB       ALA  95  12.075  -4.263  -4.263
  623   2HB   ALA  95          3HB       ALA  95  13.632  -3.552  -3.552
  624   3HB   ALA  95          1HB       ALA  95  12.585  -2.690  -2.690
  625    H    SER  96           HN       SER  96  14.865  -2.135  -2.135
  626    HA   SER  96           HA       SER  96  17.452  -3.464  -3.464
  627   1HB   SER  96          2HB       SER  96  17.209  -2.219  -2.219
  628   2HB   SER  96          3HB       SER  96  16.429  -0.876  -0.876
  629    HG   SER  96           HG       SER  96  18.441  -0.071  -0.071
  630    H    GLY  97           HN       GLY  97  16.300  -3.242  -3.242
  631   1HA   GLY  97          1HA       GLY  97  17.847  -2.495  -2.495
  632   2HA   GLY  97          2HA       GLY  97  17.618  -0.878  -0.878
  633    H    ASN  98           HN       ASN  98  16.189   0.313   0.313
  634    HA   ASN  98           HA       ASN  98  14.200  -1.125  -1.125
  635   1HB   ASN  98          2HB       ASN  98  15.415   0.585   0.585
  636   2HB   ASN  98          3HB       ASN  98  15.160   1.776   1.776
  637   1HD2  ASN  98          2HD2      ASN  98  11.691   0.578   0.578
  638   2HD2  ASN  98          1HD2      ASN  98  12.804  -0.553  -0.553
  639    H    ASN  99           HN       ASN  99  14.450  -0.070  -0.070
  640    HA   ASN  99           HA       ASN  99  12.329   1.658   1.658
  641   1HB   ASN  99          2HB       ASN  99  12.417   0.147   0.147
  642   2HB   ASN  99          3HB       ASN  99  13.403   1.559   1.559
  643   1HD2  ASN  99          2HD2      ASN  99  15.101  -2.062  -2.062
  644   2HD2  ASN  99          1HD2      ASN  99  13.489  -1.629  -1.629
  645    H    PHE 100           HN       PHE 100  10.510   0.611   0.611
  646    HA   PHE 100           HA       PHE 100   9.406  -1.760  -1.760
  647   1HB   PHE 100          2HB       PHE 100   8.184   0.936   0.936
  648   2HB   PHE 100          3HB       PHE 100   7.156  -0.476  -0.476
  649    HD1  PHE 100           HD2      PHE 100   7.444  -1.798  -1.798
  650    HD2  PHE 100           HD1      PHE 100   8.473   2.277   2.277
  651    HE1  PHE 100           HE2      PHE 100   7.258  -1.399  -1.399
  652    HE2  PHE 100           HE1      PHE 100   8.287   2.676   2.676
  653    HZ   PHE 100           HZ       PHE 100   7.682   0.832   0.832
  654    H    VAL 101           HN       VAL 101   7.690  -2.861  -2.861
  655    HA   VAL 101           HA       VAL 101   7.676  -2.257  -2.257
  656    HB   VAL 101           HB       VAL 101   8.722  -4.381  -4.381
  657   1HG1  VAL 101          1HG1      VAL 101   9.920  -2.133  -2.133
  658   2HG1  VAL 101          2HG1      VAL 101  10.700  -2.729  -2.729
  659   3HG1  VAL 101          3HG1      VAL 101  10.954  -3.581  -3.581
  660   1HG2  VAL 101          2HG2      VAL 101   9.302  -4.613  -4.613
  661   2HG2  VAL 101          3HG2      VAL 101   8.658  -5.833  -5.833
  662   3HG2  VAL 101          1HG2      VAL 101  10.374  -5.368  -5.368
  663    H    GLU 102           HN       GLU 102   5.802  -3.053  -3.053
  664    HA   GLU 102           HA       GLU 102   3.846  -3.998  -3.998
  665   1HB   GLU 102          2HB       GLU 102   3.014  -4.931  -4.931
  666   2HB   GLU 102          3HB       GLU 102   2.872  -3.261  -3.261
  667   1HG   GLU 102          2HG       GLU 102   4.747  -2.567  -2.567
  668   2HG   GLU 102          3HG       GLU 102   5.458  -4.167  -4.167
  669    H    CYS 103           HN       CYS 103   3.354  -5.960  -5.960
  670    HA   CYS 103           HA       CYS 103   5.114  -8.067  -8.067
  671   1HB   CYS 103          2HB       CYS 103   2.172  -8.172  -8.172
  672   2HB   CYS 103          3HB       CYS 103   3.373  -9.379  -9.379
  673    H    THR 104           HN       THR 104   3.467 -10.388 -10.388
  674    HA   THR 104           HA       THR 104   3.160 -10.175 -10.175
  675    HB   THR 104           HB       THR 104   3.803 -12.559 -12.559
  676    HG1  THR 104           HG1      THR 104   3.355 -13.580 -13.580
  677   1HG2  THR 104          2HG2      THR 104   5.527 -10.724 -10.724
  678   2HG2  THR 104          3HG2      THR 104   6.003 -12.417 -12.417
  679   3HG2  THR 104          1HG2      THR 104   5.836 -11.304 -11.304

  Start of MODEL    5
    1    H    ALA   1           HN       ALA   1  -9.778 -14.770 -14.770
    2    HA   ALA   1           HA       ALA   1  -8.631 -15.291 -15.291
    3   1HB   ALA   1          1HB       ALA   1  -8.727 -16.424 -16.424
    4   2HB   ALA   1          2HB       ALA   1  -7.016 -16.356 -16.356
    5   3HB   ALA   1          3HB       ALA   1  -8.199 -17.197 -17.197
    6    H    CYS   2           HN       CYS   2  -6.262 -15.313 -15.313
    7    HA   CYS   2           HA       CYS   2  -5.176 -12.936 -12.936
    8   1HB   CYS   2          2HB       CYS   2  -2.942 -14.534 -14.534
    9   2HB   CYS   2          3HB       CYS   2  -3.619 -14.160 -14.160
   10    H    ASP   3           HN       ASP   3  -4.265 -11.333 -11.333
   11    HA   ASP   3           HA       ASP   3  -3.587 -12.124 -12.124
   12   1HB   ASP   3          2HB       ASP   3  -5.467 -10.022 -10.022
   13   2HB   ASP   3          3HB       ASP   3  -4.367  -9.488  -9.488
   14    H    TYR   4           HN       TYR   4  -2.689 -10.803 -10.803
   15    HA   TYR   4           HA       TYR   4  -0.407  -9.424  -9.424
   16   1HB   TYR   4          2HB       TYR   4  -2.215  -8.631  -8.631
   17   2HB   TYR   4          3HB       TYR   4  -0.710  -7.808  -7.808
   18    HD1  TYR   4           HD2      TYR   4  -0.500  -6.770  -6.770
   19    HD2  TYR   4           HD1      TYR   4  -4.215  -7.867  -7.867
   20    HE1  TYR   4           HE2      TYR   4  -1.741  -5.210  -5.210
   21    HE2  TYR   4           HE1      TYR   4  -5.444  -6.304  -6.304
   22    HH   TYR   4           HH       TYR   4  -4.907  -4.266  -4.266
   23    H    THR   5           HN       THR   5   0.602 -11.587 -11.587
   24    HA   THR   5           HA       THR   5   0.959 -12.253 -12.253
   25    HB   THR   5           HB       THR   5   1.471 -13.533 -13.533
   26    HG1  THR   5           HG1      THR   5  -0.453 -13.694 -13.694
   27   1HG2  THR   5          3HG2      THR   5   2.990 -14.026 -14.026
   28   2HG2  THR   5          1HG2      THR   5   2.420 -15.445 -15.445
   29   3HG2  THR   5          2HG2      THR   5   3.515 -14.272 -14.272
   30    H    CYS   6           HN       CYS   6   2.309 -10.955 -10.955
   31    HA   CYS   6           HA       CYS   6   4.570  -9.812  -9.812
   32   1HB   CYS   6          2HB       CYS   6   3.362  -9.605  -9.605
   33   2HB   CYS   6          3HB       CYS   6   5.025  -9.105  -9.105
   34    H    GLY   7           HN       GLY   7   5.189 -12.243 -12.243
   35   1HA   GLY   7          1HA       GLY   7   6.781 -13.818 -13.818
   36   2HA   GLY   7          2HA       GLY   7   7.436 -12.918 -12.918
   37    H    SER   8           HN       SER   8   5.529 -12.894 -12.894
   38    HA   SER   8           HA       SER   8   4.769 -15.689 -15.689
   39   1HB   SER   8          2HB       SER   8   5.640 -15.830 -15.830
   40   2HB   SER   8          3HB       SER   8   6.885 -14.957 -14.957
   41    HG   SER   8           HG       SER   8   5.885 -14.146 -14.146
   42    H    ASN   9           HN       ASN   9   2.897 -14.033 -14.033
   43    HA   ASN   9           HA       ASN   9   1.200 -13.610 -13.610
   44   1HB   ASN   9          2HB       ASN   9   1.483 -11.570 -11.570
   45   2HB   ASN   9          3HB       ASN   9   0.419 -11.422 -11.422
   46   1HD2  ASN   9          2HD2      ASN   9   4.531 -11.105 -11.105
   47   2HD2  ASN   9          1HD2      ASN   9   3.839 -12.105 -12.105
   48    H    CYS  10           HN       CYS  10  -1.112 -12.722 -12.722
   49    HA   CYS  10           HA       CYS  10  -1.604 -13.750 -13.750
   50   1HB   CYS  10          2HB       CYS  10  -1.282 -15.857 -15.857
   51   2HB   CYS  10          3HB       CYS  10  -2.993 -15.558 -15.558
   52    H    TYR  11           HN       TYR  11  -2.241 -11.351 -11.351
   53    HA   TYR  11           HA       TYR  11  -5.070 -11.501 -11.501
   54   1HB   TYR  11          2HB       TYR  11  -4.315  -9.081  -9.081
   55   2HB   TYR  11          3HB       TYR  11  -4.049 -10.517 -10.517
   56    HD1  TYR  11           HD2      TYR  11  -2.141  -9.298  -9.298
   57    HD2  TYR  11           HD1      TYR  11  -2.105 -10.069 -10.069
   58    HE1  TYR  11           HE2      TYR  11   0.349  -8.789  -8.789
   59    HE2  TYR  11           HE1      TYR  11   0.385  -9.558  -9.558
   60    HH   TYR  11           HH       TYR  11   1.942  -7.906  -7.906
   61    H    SER  12           HN       SER  12  -5.923 -11.271 -11.271
   62    HA   SER  12           HA       SER  12  -4.842  -9.596  -9.596
   63   1HB   SER  12          2HB       SER  12  -7.123  -9.805  -9.805
   64   2HB   SER  12          3HB       SER  12  -6.374 -11.331 -11.331
   65    HG   SER  12           HG       SER  12  -7.734 -10.723 -10.723
   66    H    SER  13           HN       SER  13  -6.553  -7.789  -7.789
   67    HA   SER  13           HA       SER  13  -6.285  -5.609  -5.609
   68   1HB   SER  13          2HB       SER  13  -8.475  -4.932  -4.932
   69   2HB   SER  13          3HB       SER  13  -6.810  -4.853  -4.853
   70    HG   SER  13           HG       SER  13  -8.838  -6.723  -6.723
   71    H    SER  14           HN       SER  14  -8.527  -8.230  -8.230
   72    HA   SER  14           HA       SER  14 -10.545  -6.686  -6.686
   73   1HB   SER  14          2HB       SER  14 -11.102  -8.721  -8.721
   74   2HB   SER  14          3HB       SER  14 -10.142  -9.703  -9.703
   75    HG   SER  14           HG       SER  14 -12.403  -9.793  -9.793
   76    H    ASP  15           HN       ASP  15  -7.654  -8.559  -8.559
   77    HA   ASP  15           HA       ASP  15  -8.384  -8.708  -8.708
   78   1HB   ASP  15          2HB       ASP  15  -6.095  -9.580  -9.580
   79   2HB   ASP  15          3HB       ASP  15  -5.709  -9.292  -9.292
   80    H    VAL  16           HN       VAL  16  -6.203  -6.837  -6.837
   81    HA   VAL  16           HA       VAL  16  -4.738  -5.478  -5.478
   82    HB   VAL  16           HB       VAL  16  -5.654  -4.638  -4.638
   83   1HG1  VAL  16          3HG1      VAL  16  -4.000  -3.277  -3.277
   84   2HG1  VAL  16          1HG1      VAL  16  -3.237  -3.408  -3.408
   85   3HG1  VAL  16          2HG1      VAL  16  -4.828  -2.627  -2.627
   86   1HG2  VAL  16          1HG2      VAL  16  -4.246  -6.813  -6.813
   87   2HG2  VAL  16          2HG2      VAL  16  -3.789  -5.694  -5.694
   88   3HG2  VAL  16          3HG2      VAL  16  -2.909  -5.663  -5.663
   89    H    SER  17           HN       SER  17  -7.896  -4.644  -4.644
   90    HA   SER  17           HA       SER  17  -8.361  -2.220  -2.220
   91   1HB   SER  17          2HB       SER  17  -9.956  -3.805  -3.805
   92   2HB   SER  17          3HB       SER  17 -10.408  -4.452  -4.452
   93    HG   SER  17           HG       SER  17 -10.991  -2.198  -2.198
   94    H    THR  18           HN       THR  18  -8.872  -5.216  -5.216
   95    HA   THR  18           HA       THR  18  -9.785  -4.066  -4.066
   96    HB   THR  18           HB       THR  18  -8.184  -6.516  -6.516
   97    HG1  THR  18           HG1      THR  18 -10.539  -6.151  -6.151
   98   1HG2  THR  18          3HG2      THR  18  -8.639  -5.442  -5.442
   99   2HG2  THR  18          1HG2      THR  18  -8.625  -7.193  -7.193
  100   3HG2  THR  18          2HG2      THR  18  -7.179  -6.215  -6.215
  101    H    ALA  19           HN       ALA  19  -6.311  -4.596  -4.596
  102    HA   ALA  19           HA       ALA  19  -5.270  -3.435  -3.435
  103   1HB   ALA  19          2HB       ALA  19  -4.297  -3.917  -3.917
  104   2HB   ALA  19          3HB       ALA  19  -3.287  -3.000  -3.000
  105   3HB   ALA  19          1HB       ALA  19  -3.768  -4.671  -4.671
  106    H    GLN  20           HN       GLN  20  -6.277  -2.005  -2.005
  107    HA   GLN  20           HA       GLN  20  -5.295   0.518   0.518
  108   1HB   GLN  20          2HB       GLN  20  -7.873  -0.114  -0.114
  109   2HB   GLN  20          3HB       GLN  20  -6.792   1.236   1.236
  110   1HG   GLN  20          2HG       GLN  20  -5.066  -0.178  -0.178
  111   2HG   GLN  20          3HG       GLN  20  -5.812  -1.632  -1.632
  112   1HE2  GLN  20          2HE2      GLN  20  -7.958   0.245   0.245
  113   2HE2  GLN  20          1HE2      GLN  20  -7.375   1.101   1.101
  114    H    ALA  21           HN       ALA  21  -8.645  -0.769  -0.769
  115    HA   ALA  21           HA       ALA  21  -9.917   1.347   1.347
  116   1HB   ALA  21          1HB       ALA  21 -10.460  -1.248  -1.248
  117   2HB   ALA  21          2HB       ALA  21  -9.988  -1.161  -1.161
  118   3HB   ALA  21          3HB       ALA  21 -11.331  -0.162  -0.162
  119    H    ALA  22           HN       ALA  22  -7.200  -0.357  -0.357
  120    HA   ALA  22           HA       ALA  22  -7.494   0.996   0.996
  121   1HB   ALA  22          2HB       ALA  22  -6.355  -1.249  -1.249
  122   2HB   ALA  22          3HB       ALA  22  -4.991  -0.306  -0.306
  123   3HB   ALA  22          1HB       ALA  22  -5.469  -0.124  -0.124
  124    H    GLY  23           HN       GLY  23  -5.167   1.309   1.309
  125   1HA   GLY  23          1HA       GLY  23  -3.792   3.528   3.528
  126   2HA   GLY  23          2HA       GLY  23  -3.994   3.072   3.072
  127    H    TYR  24           HN       TYR  24  -6.834   3.305   3.305
  128    HA   TYR  24           HA       TYR  24  -7.049   6.066   6.066
  129   1HB   TYR  24          2HB       TYR  24  -8.229   3.790   3.790
  130   2HB   TYR  24          3HB       TYR  24  -9.386   4.136   4.136
  131    HD1  TYR  24           HD2      TYR  24  -7.861   5.523   5.523
  132    HD2  TYR  24           HD1      TYR  24 -11.087   5.767   5.767
  133    HE1  TYR  24           HE2      TYR  24  -9.094   7.119   7.119
  134    HE2  TYR  24           HE1      TYR  24 -12.309   7.361   7.361
  135    HH   TYR  24           HH       TYR  24 -12.204   8.530   8.530
  136    H    LYS  25           HN       LYS  25  -8.994   3.963   3.963
  137    HA   LYS  25           HA       LYS  25 -10.403   5.834   5.834
  138   1HB   LYS  25          2HB       LYS  25 -10.551   3.419   3.419
  139   2HB   LYS  25          3HB       LYS  25  -9.019   3.450   3.450
  140   1HG   LYS  25          2HG       LYS  25 -10.719   3.549   3.549
  141   2HG   LYS  25          3HG       LYS  25 -10.042   5.162   5.162
  142   1HD   LYS  25          2HD       LYS  25 -11.923   5.966   5.966
  143   2HD   LYS  25          3HD       LYS  25 -12.536   4.340   4.340
  144   1HE   LYS  25          2HE       LYS  25 -13.768   4.547   4.547
  145   2HE   LYS  25          3HE       LYS  25 -12.294   4.695   4.695
  146   1HZ   LYS  25          3HZ       LYS  25 -12.410   7.115   7.115
  147   2HZ   LYS  25          1HZ       LYS  25 -14.003   6.790   6.790
  148   3HZ   LYS  25          2HZ       LYS  25 -13.282   6.671   6.671
  149    H    LEU  26           HN       LEU  26  -7.118   4.761   4.761
  150    HA   LEU  26           HA       LEU  26  -6.863   6.751   6.751
  151   1HB   LEU  26          2HB       LEU  26  -5.501   4.779   4.779
  152   2HB   LEU  26          3HB       LEU  26  -4.811   5.187   5.187
  153    HG   LEU  26           HG       LEU  26  -4.143   7.402   7.402
  154   1HD1  LEU  26          2HD1      LEU  26  -5.068   6.321   6.321
  155   2HD1  LEU  26          3HD1      LEU  26  -3.831   5.052   5.052
  156   3HD1  LEU  26          1HD1      LEU  26  -3.341   6.739   6.739
  157   1HD2  LEU  26          1HD2      LEU  26  -2.800   4.989   4.989
  158   2HD2  LEU  26          2HD2      LEU  26  -2.341   6.704   6.704
  159   3HD2  LEU  26          3HD2      LEU  26  -1.952   5.789   5.789
  160    H    HIS  27           HN       HIS  27  -6.212   6.743   6.743
  161    HA   HIS  27           HA       HIS  27  -4.800   9.154   9.154
  162   1HB   HIS  27          2HB       HIS  27  -4.667   7.637   7.637
  163   2HB   HIS  27          3HB       HIS  27  -6.402   7.667   7.667
  164    HD1  HIS  27           HD1      HIS  27  -3.657  10.364  10.364
  165    HD2  HIS  27           HD2      HIS  27  -7.011   9.216   9.216
  166    HE1  HIS  27           HE1      HIS  27  -3.851  12.047  12.047
  167    HE2  HIS  27           HE2      HIS  27  -5.896  11.258  11.258
  168    H    GLU  28           HN       GLU  28  -8.308   8.378   8.378
  169    HA   GLU  28           HA       GLU  28  -9.085  10.973  10.973
  170   1HB   GLU  28          2HB       GLU  28 -11.106   9.440   9.440
  171   2HB   GLU  28          3HB       GLU  28 -11.135  10.017  10.017
  172   1HG   GLU  28          2HG       GLU  28  -9.534   8.084   8.084
  173   2HG   GLU  28          3HG       GLU  28  -9.829   7.461   7.461
  174    H    ASP  29           HN       ASP  29  -8.189   9.347   9.347
  175    HA   ASP  29           HA       ASP  29  -9.464  11.346  11.346
  176   1HB   ASP  29          2HB       ASP  29  -7.849   8.842   8.842
  177   2HB   ASP  29          3HB       ASP  29  -7.952  10.018  10.018
  178    H    GLY  30           HN       GLY  30  -6.479  10.796  10.796
  179   1HA   GLY  30          1HA       GLY  30  -4.661  12.127  12.127
  180   2HA   GLY  30          2HA       GLY  30  -5.339  13.248  13.248
  181    H    GLU  31           HN       GLU  31  -5.106   9.825   9.825
  182    HA   GLU  31           HA       GLU  31  -3.071  10.587  10.587
  183   1HB   GLU  31          2HB       GLU  31  -5.078   8.304   8.304
  184   2HB   GLU  31          3HB       GLU  31  -3.759   8.318   8.318
  185   1HG   GLU  31          2HG       GLU  31  -5.736  10.626  10.626
  186   2HG   GLU  31          3HG       GLU  31  -5.974   9.301   9.301
  187    H    THR  32           HN       THR  32  -1.614   8.494   8.494
  188    HA   THR  32           HA       THR  32  -0.719   7.308   7.308
  189    HB   THR  32           HB       THR  32   1.609   7.637   7.637
  190    HG1  THR  32           HG1      THR  32   1.557   9.153   9.153
  191   1HG2  THR  32          2HG2      THR  32  -0.235  10.051  10.051
  192   2HG2  THR  32          3HG2      THR  32   1.477  10.264  10.264
  193   3HG2  THR  32          1HG2      THR  32   1.042   9.556   9.556
  194    H    VAL  33           HN       VAL  33   1.068   5.493   5.493
  195    HA   VAL  33           HA       VAL  33  -0.074   3.990   3.990
  196    HB   VAL  33           HB       VAL  33  -0.528   2.079   2.079
  197   1HG1  VAL  33          2HG1      VAL  33  -1.986   4.250   4.250
  198   2HG1  VAL  33          3HG1      VAL  33  -1.391   4.027   4.027
  199   3HG1  VAL  33          1HG1      VAL  33  -2.305   2.726   2.726
  200   1HG2  VAL  33          1HG2      VAL  33   0.949   3.337   3.337
  201   2HG2  VAL  33          2HG2      VAL  33   1.505   1.977   1.977
  202   3HG2  VAL  33          3HG2      VAL  33   0.083   1.782   1.782
  203    H    GLY  34           HN       GLY  34   1.481   2.932   2.932
  204   1HA   GLY  34          1HA       GLY  34   3.492   2.020   2.020
  205   2HA   GLY  34          2HA       GLY  34   3.990   2.163   2.163
  206    H    SER  35           HN       SER  35   6.095   2.962   2.962
  207    HA   SER  35           HA       SER  35   6.075   5.503   5.503
  208   1HB   SER  35          2HB       SER  35   7.683   3.937   3.937
  209   2HB   SER  35          3HB       SER  35   8.268   3.530   3.530
  210    HG   SER  35           HG       SER  35   9.286   5.353   5.353
  211    H    ASN  36           HN       ASN  36   5.540   4.542   4.542
  212    HA   ASN  36           HA       ASN  36   7.366   6.424   6.424
  213   1HB   ASN  36          2HB       ASN  36   5.862   4.027   4.027
  214   2HB   ASN  36          3HB       ASN  36   5.713   5.348   5.348
  215   1HD2  ASN  36          2HD2      ASN  36   8.625   3.581   3.581
  216   2HD2  ASN  36          1HD2      ASN  36   6.897   3.482   3.482
  217    H    SER  37           HN       SER  37   5.683   7.099   7.099
  218    HA   SER  37           HA       SER  37   3.504   8.505   8.505
  219   1HB   SER  37          2HB       SER  37   4.005  10.511  10.511
  220   2HB   SER  37          3HB       SER  37   5.601   9.887   9.887
  221    HG   SER  37           HG       SER  37   4.195   9.690   9.690
  222    H    TYR  38           HN       TYR  38   3.053   5.997   5.997
  223    HA   TYR  38           HA       TYR  38   2.081   6.440   6.440
  224   1HB   TYR  38          2HB       TYR  38   2.403   4.042   4.042
  225   2HB   TYR  38          3HB       TYR  38   1.708   3.877   3.877
  226    HD1  TYR  38           HD2      TYR  38   4.624   5.999   5.999
  227    HD2  TYR  38           HD1      TYR  38   3.284   2.481   2.481
  228    HE1  TYR  38           HE2      TYR  38   6.946   5.672   5.672
  229    HE2  TYR  38           HE1      TYR  38   5.611   2.165   2.165
  230    HH   TYR  38           HH       TYR  38   8.047   2.939   2.939
  231    HA   PRO  39           HA       PRO  39   0.802   5.386   5.386
  232   1HB   PRO  39          2HB       PRO  39  -1.232   6.280   6.280
  233   2HB   PRO  39          3HB       PRO  39  -1.124   4.630   4.630
  234   1HG   PRO  39          2HG       PRO  39  -2.907   6.804   6.804
  235   2HG   PRO  39          3HG       PRO  39  -3.063   5.077   5.077
  236   1HD   PRO  39          2HD       PRO  39  -2.175   7.019   7.019
  237   2HD   PRO  39          3HD       PRO  39  -2.221   5.281   5.281
  238    H    HIS  40           HN       HIS  40   0.761   6.871   6.871
  239    HA   HIS  40           HA       HIS  40   0.741   9.602   9.602
  240   1HB   HIS  40          2HB       HIS  40   3.054  10.181  10.181
  241   2HB   HIS  40          3HB       HIS  40   2.612   9.111   9.111
  242    HD1  HIS  40           HD1      HIS  40   4.434   9.006   9.006
  243    HD2  HIS  40           HD2      HIS  40   4.178   6.853   6.853
  244    HE1  HIS  40           HE1      HIS  40   6.259   7.226   7.226
  245    HE2  HIS  40           HE2      HIS  40   6.087   5.970   5.970
  246    H    LYS  41           HN       LYS  41   1.555  10.804  10.804
  247    HA   LYS  41           HA       LYS  41   0.807   9.750   9.750
  248   1HB   LYS  41          2HB       LYS  41   1.193  11.915  11.915
  249   2HB   LYS  41          3HB       LYS  41   2.393  12.025  12.025
  250   1HG   LYS  41          2HG       LYS  41   3.985  12.161  12.161
  251   2HG   LYS  41          3HG       LYS  41   3.659  10.484  10.484
  252   1HD   LYS  41          2HD       LYS  41   3.390  11.672  11.672
  253   2HD   LYS  41          3HD       LYS  41   1.762  11.314  11.314
  254   1HE   LYS  41          2HE       LYS  41   1.660  13.627  13.627
  255   2HE   LYS  41          3HE       LYS  41   3.232  13.970  13.970
  256   1HZ   LYS  41          1HZ       LYS  41   2.263  13.479  13.479
  257   2HZ   LYS  41          2HZ       LYS  41   0.793  13.296  13.296
  258   3HZ   LYS  41          3HZ       LYS  41   1.540  14.748  14.748
  259    H    TYR  42           HN       TYR  42   1.970   8.932   8.932
  260    HA   TYR  42           HA       TYR  42   4.558   7.737   7.737
  261   1HB   TYR  42          2HB       TYR  42   3.050   5.973   5.973
  262   2HB   TYR  42          3HB       TYR  42   1.876   6.338   6.338
  263    HD1  TYR  42           HD1      TYR  42   2.658   5.914   5.914
  264    HD2  TYR  42           HD2      TYR  42   4.516   4.176   4.176
  265    HE1  TYR  42           HE1      TYR  42   3.638   4.070   4.070
  266    HE2  TYR  42           HE2      TYR  42   5.489   2.339   2.339
  267    HH   TYR  42           HH       TYR  42   6.073   2.363   2.363
  268    H    ASN  43           HN       ASN  43   1.786   8.388   8.388
  269    HA   ASN  43           HA       ASN  43   1.668   8.793   8.793
  270   1HB   ASN  43          2HB       ASN  43   4.437   9.721   9.721
  271   2HB   ASN  43          3HB       ASN  43   4.139   9.473   9.473
  272   1HD2  ASN  43          2HD2      ASN  43   1.332  11.929  11.929
  273   2HD2  ASN  43          1HD2      ASN  43   1.655  10.324  10.324
  274    H    ASN  44           HN       ASN  44   5.081   8.033   8.033
  275    HA   ASN  44           HA       ASN  44   5.352   5.460   5.460
  276   1HB   ASN  44          2HB       ASN  44   4.371   4.508   4.508
  277   2HB   ASN  44          3HB       ASN  44   3.075   5.398   5.398
  278   1HD2  ASN  44          2HD2      ASN  44   4.587   6.464   6.464
  279   2HD2  ASN  44          1HD2      ASN  44   5.266   5.211   5.211
  280    H    TYR  45           HN       TYR  45   6.685   4.736   4.736
  281    HA   TYR  45           HA       TYR  45   7.693   6.621   6.621
  282   1HB   TYR  45          2HB       TYR  45   8.829   6.523   6.523
  283   2HB   TYR  45          3HB       TYR  45  10.041   6.469   6.469
  284    HD1  TYR  45           HD1      TYR  45   7.294   8.255   8.255
  285    HD2  TYR  45           HD2      TYR  45  10.590   8.664   8.664
  286    HE1  TYR  45           HE1      TYR  45   7.174  10.785  10.785
  287    HE2  TYR  45           HE2      TYR  45  10.459  11.192  11.192
  288    HH   TYR  45           HH       TYR  45   9.179  12.869  12.869
  289    H    GLU  46           HN       GLU  46   8.728   3.942   3.942
  290    HA   GLU  46           HA       GLU  46  10.655   2.836   2.836
  291   1HB   GLU  46          2HB       GLU  46   8.463   1.389   1.389
  292   2HB   GLU  46          3HB       GLU  46   9.953   0.635   0.635
  293   1HG   GLU  46          2HG       GLU  46  10.469   3.164   3.164
  294   2HG   GLU  46          3HG       GLU  46   9.555   2.046   2.046
  295    H    GLY  47           HN       GLY  47   7.325   3.200   3.200
  296   1HA   GLY  47          1HA       GLY  47   6.836   2.914   2.914
  297   2HA   GLY  47          2HA       GLY  47   7.764   1.428   1.428
  298    H    PHE  48           HN       PHE  48   5.138   2.851   2.851
  299    HA   PHE  48           HA       PHE  48   3.873   0.222   0.222
  300   1HB   PHE  48          2HB       PHE  48   3.569   2.816   2.816
  301   2HB   PHE  48          3HB       PHE  48   2.508   1.441   1.441
  302    HD1  PHE  48           HD2      PHE  48   3.451  -0.703  -0.703
  303    HD2  PHE  48           HD1      PHE  48   5.752   2.859   2.859
  304    HE1  PHE  48           HE2      PHE  48   5.085  -1.683  -1.683
  305    HE2  PHE  48           HE1      PHE  48   7.387   1.878   1.878
  306    HZ   PHE  48           HZ       PHE  48   7.033  -0.381  -0.381
  307    H    ASP  49           HN       ASP  49   1.867  -0.156  -0.156
  308    HA   ASP  49           HA       ASP  49   0.837   2.040   2.040
  309   1HB   ASP  49          2HB       ASP  49  -0.388  -0.711  -0.711
  310   2HB   ASP  49          3HB       ASP  49  -0.173   0.417   0.417
  311    H    PHE  50           HN       PHE  50   0.179   2.897   2.897
  312    HA   PHE  50           HA       PHE  50  -1.892   1.588   1.588
  313   1HB   PHE  50          2HB       PHE  50  -0.883   4.483   4.483
  314   2HB   PHE  50          3HB       PHE  50  -2.114   4.021   4.021
  315    HD1  PHE  50           HD1      PHE  50  -0.109   1.234   1.234
  316    HD2  PHE  50           HD2      PHE  50  -0.016   5.208   5.208
  317    HE1  PHE  50           HE1      PHE  50   1.678   0.581   0.581
  318    HE2  PHE  50           HE2      PHE  50   1.771   4.556   4.556
  319    HZ   PHE  50           HZ       PHE  50   2.596   2.249   2.249
  320    H    SER  51           HN       SER  51  -3.715   1.046   1.046
  321    HA   SER  51           HA       SER  51  -4.784   2.828   2.828
  322   1HB   SER  51          2HB       SER  51  -6.628   1.193   1.193
  323   2HB   SER  51          3HB       SER  51  -5.075   0.382   0.382
  324    HG   SER  51           HG       SER  51  -5.912   0.639   0.639
  325    H    VAL  52           HN       VAL  52  -4.414   3.908   3.908
  326    HA   VAL  52           HA       VAL  52  -7.218   4.636   4.636
  327    HB   VAL  52           HB       VAL  52  -6.768   4.707   4.707
  328   1HG1  VAL  52          2HG1      VAL  52  -7.363   2.513   2.513
  329   2HG1  VAL  52          3HG1      VAL  52  -5.646   2.071   2.071
  330   3HG1  VAL  52          1HG1      VAL  52  -6.620   2.382   2.382
  331   1HG2  VAL  52          3HG2      VAL  52  -3.921   4.181   4.181
  332   2HG2  VAL  52          1HG2      VAL  52  -4.567   5.406   5.406
  333   3HG2  VAL  52          2HG2      VAL  52  -4.496   3.699   3.699
  334    H    SER  53           HN       SER  53  -7.490   6.839   6.839
  335    HA   SER  53           HA       SER  53  -5.585   8.576   8.576
  336   1HB   SER  53          2HB       SER  53  -8.331   8.940   8.940
  337   2HB   SER  53          3HB       SER  53  -7.336  10.338  10.338
  338    HG   SER  53           HG       SER  53  -7.233   8.798   8.798
  339    H    SER  54           HN       SER  54  -4.367  10.217  10.217
  340    HA   SER  54           HA       SER  54  -3.526   9.470   9.470
  341   1HB   SER  54          2HB       SER  54  -1.893  11.080  11.080
  342   2HB   SER  54          3HB       SER  54  -2.391  10.898  10.898
  343    HG   SER  54           HG       SER  54  -2.529  13.068  13.068
  344    HA   PRO  55           HA       PRO  55  -2.343  11.290  11.290
  345   1HB   PRO  55          2HB       PRO  55  -2.027  11.565  11.565
  346   2HB   PRO  55          3HB       PRO  55  -1.960  12.915  12.915
  347   1HG   PRO  55          2HG       PRO  55  -4.130  12.149  12.149
  348   2HG   PRO  55          3HG       PRO  55  -3.855  13.687  13.687
  349   1HD   PRO  55          2HD       PRO  55  -5.798  11.706  11.706
  350   2HD   PRO  55          3HD       PRO  55  -5.445  13.191  13.191
  351    H    TYR  56           HN       TYR  56  -0.837   9.665   9.665
  352    HA   TYR  56           HA       TYR  56  -2.352   7.236   7.236
  353   1HB   TYR  56          2HB       TYR  56   0.503   7.902   7.902
  354   2HB   TYR  56          3HB       TYR  56  -0.057   6.260   6.260
  355    HD1  TYR  56           HD1      TYR  56  -2.923   6.817   6.817
  356    HD2  TYR  56           HD2      TYR  56   1.012   7.642   7.642
  357    HE1  TYR  56           HE1      TYR  56  -3.792   6.767   6.767
  358    HE2  TYR  56           HE2      TYR  56   0.129   7.590   7.590
  359    HH   TYR  56           HH       TYR  56  -1.988   6.339   6.339
  360    H    TYR  57           HN       TYR  57  -2.462   6.584   6.584
  361    HA   TYR  57           HA       TYR  57  -0.358   7.493   7.493
  362   1HB   TYR  57          2HB       TYR  57  -3.077   6.086   6.086
  363   2HB   TYR  57          3HB       TYR  57  -2.104   6.723   6.723
  364    HD1  TYR  57           HD2      TYR  57  -1.352   9.239   9.239
  365    HD2  TYR  57           HD1      TYR  57  -4.962   7.474   7.474
  366    HE1  TYR  57           HE2      TYR  57  -2.539  11.477  11.477
  367    HE2  TYR  57           HE1      TYR  57  -6.139   9.718   9.718
  368    HH   TYR  57           HH       TYR  57  -4.802  12.451  12.451
  369    H    GLU  58           HN       GLU  58   1.110   6.117   6.117
  370    HA   GLU  58           HA       GLU  58   0.912   3.360   3.360
  371   1HB   GLU  58          2HB       GLU  58   3.302   3.230   3.230
  372   2HB   GLU  58          3HB       GLU  58   3.031   4.450   4.450
  373   1HG   GLU  58          2HG       GLU  58   3.311   6.234   6.234
  374   2HG   GLU  58          3HG       GLU  58   2.806   5.293   5.293
  375    H    TRP  59           HN       TRP  59   0.776   1.603   1.603
  376    HA   TRP  59           HA       TRP  59   0.999   2.090   2.090
  377   1HB   TRP  59          2HB       TRP  59  -1.223   2.821   2.821
  378   2HB   TRP  59          3HB       TRP  59  -1.654   1.583   1.583
  379    HD1  TRP  59           HD1      TRP  59  -2.253  -0.871  -0.871
  380    HE1  TRP  59           HE1      TRP  59  -2.865  -1.811  -1.811
  381    HE3  TRP  59           HE3      TRP  59  -0.636   3.194   3.194
  382    HZ2  TRP  59           HZ2      TRP  59  -2.610  -0.771  -0.771
  383    HZ3  TRP  59           HZ3      TRP  59  -0.853   3.152   3.152
  384    HH2  TRP  59           HH2      TRP  59  -1.800   1.258   1.258
  385    HA   PRO  60           HA       PRO  60   2.249  -2.047  -2.047
  386   1HB   PRO  60          2HB       PRO  60   2.343  -2.832  -2.832
  387   2HB   PRO  60          3HB       PRO  60   3.618  -1.911  -1.911
  388   1HG   PRO  60          2HG       PRO  60   1.570  -0.992  -0.992
  389   2HG   PRO  60          3HG       PRO  60   3.079  -0.222  -0.222
  390   1HD   PRO  60          2HD       PRO  60   0.451   0.520   0.520
  391   2HD   PRO  60          3HD       PRO  60   1.969   1.214   1.214
  392    H    ILE  61           HN       ILE  61   1.592  -4.207  -4.207
  393    HA   ILE  61           HA       ILE  61  -1.221  -4.492  -4.492
  394    HB   ILE  61           HB       ILE  61  -0.867  -4.287  -4.287
  395   1HG1  ILE  61          2HG1      ILE  61  -1.918  -6.905  -6.905
  396   2HG1  ILE  61          3HG1      ILE  61  -2.822  -5.441  -5.441
  397   1HG2  ILE  61          2HG2      ILE  61   1.418  -5.495  -5.495
  398   2HG2  ILE  61          3HG2      ILE  61   0.458  -6.987  -6.987
  399   3HG2  ILE  61          1HG2      ILE  61   0.386  -5.767  -5.767
  400   1HD1  ILE  61          3HD1      ILE  61  -1.298  -6.932  -6.932
  401   2HD1  ILE  61          1HD1      ILE  61  -2.988  -7.305  -7.305
  402   3HD1  ILE  61          2HD1      ILE  61  -2.559  -5.691  -5.691
  403    H    LEU  62           HN       LEU  62  -1.584  -5.989  -5.989
  404    HA   LEU  62           HA       LEU  62   0.601  -7.780  -7.780
  405   1HB   LEU  62          2HB       LEU  62  -1.990  -7.079  -7.079
  406   2HB   LEU  62          3HB       LEU  62  -0.875  -8.297  -8.297
  407    HG   LEU  62           HG       LEU  62  -0.049  -5.424  -5.424
  408   1HD1  LEU  62          3HD1      LEU  62  -1.993  -5.732  -5.732
  409   2HD1  LEU  62          1HD1      LEU  62  -0.812  -6.552  -6.552
  410   3HD1  LEU  62          2HD1      LEU  62  -0.553  -4.856  -4.856
  411   1HD2  LEU  62          3HD2      LEU  62   1.357  -7.816  -7.816
  412   2HD2  LEU  62          1HD2      LEU  62   1.982  -6.163  -6.163
  413   3HD2  LEU  62          2HD2      LEU  62   1.398  -6.691  -6.691
  414    H    SER  63           HN       SER  63   0.708  -9.841  -9.841
  415    HA   SER  63           HA       SER  63  -1.240 -10.832 -10.832
  416   1HB   SER  63          2HB       SER  63   1.377 -11.522 -11.522
  417   2HB   SER  63          3HB       SER  63   0.418 -12.911 -12.911
  418    HG   SER  63           HG       SER  63  -0.474 -12.256 -12.256
  419    H    SER  64           HN       SER  64  -1.333 -10.437 -10.437
  420    HA   SER  64           HA       SER  64  -2.780 -12.879 -12.879
  421   1HB   SER  64          2HB       SER  64  -2.541 -10.700 -10.700
  422   2HB   SER  64          3HB       SER  64  -2.487 -12.438 -12.438
  423    HG   SER  64           HG       SER  64  -0.368 -12.061 -12.061
  424    H    GLY  65           HN       GLY  65  -3.333  -9.611  -9.611
  425   1HA   GLY  65          1HA       GLY  65  -5.331  -8.717  -8.717
  426   2HA   GLY  65          2HA       GLY  65  -6.203 -10.008 -10.008
  427    H    ASP  66           HN       ASP  66  -3.650  -7.945  -7.945
  428    HA   ASP  66           HA       ASP  66  -5.717  -7.008  -7.008
  429   1HB   ASP  66          2HB       ASP  66  -2.692  -7.261  -7.261
  430   2HB   ASP  66          3HB       ASP  66  -3.734  -6.512  -6.512
  431    H    VAL  67           HN       VAL  67  -4.310  -4.818  -4.818
  432    HA   VAL  67           HA       VAL  67  -3.923  -3.082  -3.082
  433    HB   VAL  67           HB       VAL  67  -5.272  -2.679  -2.679
  434   1HG1  VAL  67          2HG1      VAL  67  -4.016  -0.545  -0.545
  435   2HG1  VAL  67          3HG1      VAL  67  -5.348  -0.205  -0.205
  436   3HG1  VAL  67          1HG1      VAL  67  -3.796  -0.824  -0.824
  437   1HG2  VAL  67          1HG2      VAL  67  -6.033  -2.762  -2.762
  438   2HG2  VAL  67          2HG2      VAL  67  -7.028  -2.959  -2.959
  439   3HG2  VAL  67          3HG2      VAL  67  -6.661  -1.329  -1.329
  440    H    TYR  68           HN       TYR  68  -1.750  -2.879  -2.879
  441    HA   TYR  68           HA       TYR  68   0.224  -3.332  -3.332
  442   1HB   TYR  68          2HB       TYR  68   0.821  -2.910  -2.910
  443   2HB   TYR  68          3HB       TYR  68  -0.255  -1.533  -1.533
  444    HD1  TYR  68           HD2      TYR  68   3.073  -2.671  -2.671
  445    HD2  TYR  68           HD1      TYR  68   0.477   0.697   0.697
  446    HE1  TYR  68           HE2      TYR  68   5.040  -1.097  -1.097
  447    HE2  TYR  68           HE1      TYR  68   2.453   2.259   2.259
  448    HH   TYR  68           HH       TYR  68   5.413   1.534   1.534
  449    H    SER  69           HN       SER  69   0.170  -2.586  -2.586
  450    HA   SER  69           HA       SER  69  -0.076   0.308   0.308
  451   1HB   SER  69          2HB       SER  69  -0.819  -0.166  -0.166
  452   2HB   SER  69          3HB       SER  69  -1.923  -0.762  -0.762
  453    HG   SER  69           HG       SER  69  -0.181  -2.215  -2.215
  454    H    GLY  70           HN       GLY  70   2.400  -0.742  -0.742
  455   1HA   GLY  70          1HA       GLY  70   4.006  -0.097  -0.097
  456   2HA   GLY  70          2HA       GLY  70   4.202  -1.721  -1.721
  457    H    GLY  71           HN       GLY  71   5.713   1.138   1.138
  458   1HA   GLY  71          1HA       GLY  71   6.077   2.002   2.002
  459   2HA   GLY  71          2HA       GLY  71   7.300   2.031   2.031
  460    H    SER  72           HN       SER  72   6.619  -1.174  -1.174
  461    HA   SER  72           HA       SER  72   8.587  -1.612  -1.612
  462   1HB   SER  72          2HB       SER  72   9.354  -3.567  -3.567
  463   2HB   SER  72          3HB       SER  72   9.395  -2.155  -2.155
  464    HG   SER  72           HG       SER  72   8.412  -3.713  -3.713
  465    HA   PRO  73           HA       PRO  73   4.817  -3.676  -3.676
  466   1HB   PRO  73          2HB       PRO  73   4.967  -2.931  -2.931
  467   2HB   PRO  73          3HB       PRO  73   4.079  -2.021  -2.021
  468   1HG   PRO  73          2HG       PRO  73   6.688  -1.398  -1.398
  469   2HG   PRO  73          3HG       PRO  73   5.599  -0.329  -0.329
  470   1HD   PRO  73          2HD       PRO  73   8.030  -1.473  -1.473
  471   2HD   PRO  73          3HD       PRO  73   6.882  -0.499  -0.499
  472    H    GLY  74           HN       GLY  74   7.543  -3.503  -3.503
  473   1HA   GLY  74          1HA       GLY  74   8.799  -5.776  -5.776
  474   2HA   GLY  74          2HA       GLY  74   7.287  -6.400  -6.400
  475    H    ALA  75           HN       ALA  75   6.972  -6.441  -6.441
  476    HA   ALA  75           HA       ALA  75   8.664  -4.664  -4.664
  477   1HB   ALA  75          1HB       ALA  75   8.222  -7.655  -7.655
  478   2HB   ALA  75          2HB       ALA  75   8.967  -6.600  -6.600
  479   3HB   ALA  75          3HB       ALA  75   9.759  -6.829  -6.829
  480    H    ASP  76           HN       ASP  76   5.788  -6.841  -6.841
  481    HA   ASP  76           HA       ASP  76   4.652  -6.052  -6.052
  482   1HB   ASP  76          2HB       ASP  76   3.138  -6.797  -6.797
  483   2HB   ASP  76          3HB       ASP  76   2.582  -7.002  -7.002
  484    H    ARG  77           HN       ARG  77   3.386  -4.229  -4.229
  485    HA   ARG  77           HA       ARG  77   2.326  -2.629  -2.629
  486   1HB   ARG  77          2HB       ARG  77   4.073  -1.291  -1.291
  487   2HB   ARG  77          3HB       ARG  77   3.416  -0.564  -0.564
  488   1HG   ARG  77          2HG       ARG  77   5.140  -2.970  -2.970
  489   2HG   ARG  77          3HG       ARG  77   5.967  -1.560  -1.560
  490   1HD   ARG  77          2HD       ARG  77   4.692  -0.248  -0.248
  491   2HD   ARG  77          3HD       ARG  77   4.449  -1.832  -1.832
  492    HE   ARG  77           HE       ARG  77   7.052  -0.450  -0.450
  493   1HH1  ARG  77           HH2      ARG  77   5.321  -3.341  -3.341
  494   2HH1  ARG  77           HH2      ARG  77   6.654  -3.978  -3.978
  495   1HH2  ARG  77           HH1      ARG  77   8.811  -1.289  -1.289
  496   2HH2  ARG  77           HH1      ARG  77   8.653  -2.803  -2.803
  497    H    VAL  78           HN       VAL  78   0.547  -1.286  -1.286
  498    HA   VAL  78           HA       VAL  78  -0.217  -1.794  -1.794
  499    HB   VAL  78           HB       VAL  78  -1.806  -2.949  -2.949
  500   1HG1  VAL  78          3HG1      VAL  78  -0.857  -2.395  -2.395
  501   2HG1  VAL  78          1HG1      VAL  78  -1.815  -0.894  -0.894
  502   3HG1  VAL  78          2HG1      VAL  78  -2.636  -2.474  -2.474
  503   1HG2  VAL  78          2HG2      VAL  78  -2.830  -0.096  -0.096
  504   2HG2  VAL  78          3HG2      VAL  78  -3.035  -1.355  -1.355
  505   3HG2  VAL  78          1HG2      VAL  78  -3.860  -1.510  -1.510
  506    H    VAL  79           HN       VAL  79  -0.785  -0.044  -0.044
  507    HA   VAL  79           HA       VAL  79  -0.552   2.563   2.563
  508    HB   VAL  79           HB       VAL  79   0.144   1.660   1.660
  509   1HG1  VAL  79          2HG1      VAL  79  -0.914   4.125   4.125
  510   2HG1  VAL  79          3HG1      VAL  79   0.835   4.420   4.420
  511   3HG1  VAL  79          1HG1      VAL  79   0.165   3.775   3.775
  512   1HG2  VAL  79          1HG2      VAL  79   1.637   1.647   1.647
  513   2HG2  VAL  79          2HG2      VAL  79   2.269   1.546   1.546
  514   3HG2  VAL  79          3HG2      VAL  79   2.165   3.123   3.123
  515    H    PHE  80           HN       PHE  80  -2.207   4.047   4.047
  516    HA   PHE  80           HA       PHE  80  -4.289   3.459   3.459
  517   1HB   PHE  80          2HB       PHE  80  -6.007   3.529   3.529
  518   2HB   PHE  80          3HB       PHE  80  -4.827   2.309   2.309
  519    HD1  PHE  80           HD2      PHE  80  -2.818   3.228   3.228
  520    HD2  PHE  80           HD1      PHE  80  -6.645   5.038   5.038
  521    HE1  PHE  80           HE2      PHE  80  -2.456   4.362   4.362
  522    HE2  PHE  80           HE1      PHE  80  -6.283   6.172   6.172
  523    HZ   PHE  80           HZ       PHE  80  -4.193   5.821   5.821
  524    H    ASN  81           HN       ASN  81  -6.180   5.350   5.350
  525    HA   ASN  81           HA       ASN  81  -4.603   7.791   7.791
  526   1HB   ASN  81          2HB       ASN  81  -7.218   7.855   7.855
  527   2HB   ASN  81          3HB       ASN  81  -5.740   8.740   8.740
  528   1HD2  ASN  81          2HD2      ASN  81  -6.275   4.874   4.874
  529   2HD2  ASN  81          1HD2      ASN  81  -7.131   5.475   5.475
  530    H    GLU  82           HN       GLU  82  -6.714   9.647   9.647
  531    HA   GLU  82           HA       GLU  82  -7.826   8.935   8.935
  532   1HB   GLU  82          2HB       GLU  82  -6.721  11.221  11.221
  533   2HB   GLU  82          3HB       GLU  82  -8.314  11.573  11.573
  534   1HG   GLU  82          2HG       GLU  82  -9.326  11.162  11.162
  535   2HG   GLU  82          3HG       GLU  82  -7.752  10.748  10.748
  536    H    ASN  83           HN       ASN  83  -8.735   7.825   7.825
  537    HA   ASN  83           HA       ASN  83 -11.493   8.735   8.735
  538   1HB   ASN  83          2HB       ASN  83 -11.271   7.088   7.088
  539   2HB   ASN  83          3HB       ASN  83 -11.252   8.841   8.841
  540   1HD2  ASN  83          2HD2      ASN  83  -7.870   6.605   6.605
  541   2HD2  ASN  83          1HD2      ASN  83  -9.385   5.919   5.919
  542    H    ASN  84           HN       ASN  84  -9.234   6.087   6.087
  543    HA   ASN  84           HA       ASN  84  -9.803   4.336   4.336
  544   1HB   ASN  84          2HB       ASN  84 -11.986   3.424   3.424
  545   2HB   ASN  84          3HB       ASN  84 -12.318   5.115   5.115
  546   1HD2  ASN  84          2HD2      ASN  84 -12.595   4.073   4.073
  547   2HD2  ASN  84          1HD2      ASN  84 -11.312   4.815   4.815
  548    H    GLN  85           HN       GLN  85  -8.745   4.835   4.835
  549    HA   GLN  85           HA       GLN  85  -9.335   2.226   2.226
  550   1HB   GLN  85          2HB       GLN  85  -8.187   4.748   4.748
  551   2HB   GLN  85          3HB       GLN  85  -8.367   3.219   3.219
  552   1HG   GLN  85          2HG       GLN  85 -10.793   3.265   3.265
  553   2HG   GLN  85          3HG       GLN  85 -10.703   4.640   4.640
  554   1HE2  GLN  85          2HE2      GLN  85  -9.670   6.956   6.956
  555   2HE2  GLN  85          1HE2      GLN  85  -9.173   6.442   6.442
  556    H    LEU  86           HN       LEU  86  -7.706   0.699   0.699
  557    HA   LEU  86           HA       LEU  86  -5.215   1.317   1.317
  558   1HB   LEU  86          2HB       LEU  86  -5.247  -0.815  -0.815
  559   2HB   LEU  86          3HB       LEU  86  -6.845  -0.906  -0.906
  560    HG   LEU  86           HG       LEU  86  -4.835  -1.202  -1.202
  561   1HD1  LEU  86          1HD1      LEU  86  -3.707  -2.058  -2.058
  562   2HD1  LEU  86          2HD1      LEU  86  -4.659  -3.511  -3.511
  563   3HD1  LEU  86          3HD1      LEU  86  -3.476  -2.882  -2.882
  564   1HD2  LEU  86          3HD2      LEU  86  -7.351  -2.356  -2.356
  565   2HD2  LEU  86          1HD2      LEU  86  -6.611  -2.292  -2.292
  566   3HD2  LEU  86          2HD2      LEU  86  -6.202  -3.618  -3.618
  567    H    ALA  87           HN       ALA  87  -3.267   1.689   1.689
  568    HA   ALA  87           HA       ALA  87  -3.290   2.218   2.218
  569   1HB   ALA  87          3HB       ALA  87  -1.807   2.993   2.993
  570   2HB   ALA  87          1HB       ALA  87  -0.657   2.051   2.051
  571   3HB   ALA  87          2HB       ALA  87  -1.490   3.454   3.454
  572    H    GLY  88           HN       GLY  88  -1.976  -0.365  -0.365
  573   1HA   GLY  88          1HA       GLY  88  -2.196  -2.402  -2.402
  574   2HA   GLY  88          2HA       GLY  88  -0.589  -1.737  -1.737
  575    H    VAL  89           HN       VAL  89   0.621  -3.446  -3.446
  576    HA   VAL  89           HA       VAL  89   0.456  -3.665  -3.665
  577    HB   VAL  89           HB       VAL  89   0.251  -6.006  -6.006
  578   1HG1  VAL  89          1HG1      VAL  89   1.642  -5.950  -5.950
  579   2HG1  VAL  89          2HG1      VAL  89   0.052  -6.620  -6.620
  580   3HG1  VAL  89          3HG1      VAL  89   1.025  -7.396  -7.396
  581   1HG2  VAL  89          2HG2      VAL  89  -1.647  -4.673  -4.673
  582   2HG2  VAL  89          3HG2      VAL  89  -1.927  -5.267  -5.267
  583   3HG2  VAL  89          1HG2      VAL  89  -1.787  -6.421  -6.421
  584    H    ILE  90           HN       ILE  90   2.425  -2.520  -2.520
  585    HA   ILE  90           HA       ILE  90   4.648  -3.529  -3.529
  586    HB   ILE  90           HB       ILE  90   5.823  -1.621  -1.621
  587   1HG1  ILE  90          2HG1      ILE  90   3.978  -1.748  -1.748
  588   2HG1  ILE  90          3HG1      ILE  90   5.621  -1.145  -1.145
  589   1HG2  ILE  90          1HG2      ILE  90   3.695  -1.445  -1.445
  590   2HG2  ILE  90          2HG2      ILE  90   3.114  -0.400  -0.400
  591   3HG2  ILE  90          3HG2      ILE  90   4.637  -0.015  -0.015
  592   1HD1  ILE  90          3HD1      ILE  90   4.348   0.782   0.782
  593   2HD1  ILE  90          1HD1      ILE  90   3.040   0.311   0.311
  594   3HD1  ILE  90          2HD1      ILE  90   4.595   0.889   0.889
  595    H    THR  91           HN       THR  91   6.793  -3.880  -3.880
  596    HA   THR  91           HA       THR  91   6.622  -4.719  -4.719
  597    HB   THR  91           HB       THR  91   5.573  -6.718  -6.718
  598    HG1  THR  91           HG1      THR  91   7.813  -6.994  -6.994
  599   1HG2  THR  91          1HG2      THR  91   5.715  -6.239  -6.239
  600   2HG2  THR  91          2HG2      THR  91   7.417  -6.758  -6.758
  601   3HG2  THR  91          3HG2      THR  91   6.122  -7.922  -7.922
  602    H    HIS  92           HN       HIS  92   8.693  -5.322  -5.322
  603    HA   HIS  92           HA       HIS  92  10.777  -3.953  -3.953
  604   1HB   HIS  92          2HB       HIS  92  10.521  -5.353  -5.353
  605   2HB   HIS  92          3HB       HIS  92  12.093  -4.856  -4.856
  606    HD1  HIS  92           HD1      HIS  92  12.524  -2.969  -2.969
  607    HD2  HIS  92           HD2      HIS  92   8.880  -2.572  -2.572
  608    HE1  HIS  92           HE1      HIS  92  11.635  -0.647  -0.647
  609    HE2  HIS  92           HE2      HIS  92   9.422  -0.439  -0.439
  610    H    THR  93           HN       THR  93   9.455  -6.664  -6.664
  611    HA   THR  93           HA       THR  93  11.242  -8.732  -8.732
  612    HB   THR  93           HB       THR  93   9.164  -7.757  -7.757
  613    HG1  THR  93           HG1      THR  93   9.778 -10.312 -10.312
  614   1HG2  THR  93          3HG2      THR  93  11.239  -9.927  -9.927
  615   2HG2  THR  93          1HG2      THR  93   9.584 -10.075 -10.075
  616   3HG2  THR  93          2HG2      THR  93  10.610  -8.706  -8.706
  617    H    GLY  94           HN       GLY  94  13.402  -8.031  -8.031
  618   1HA   GLY  94          1HA       GLY  94  15.337  -7.124  -7.124
  619   2HA   GLY  94          2HA       GLY  94  15.017  -8.317  -8.317
  620    H    ALA  95           HN       ALA  95  13.196  -5.269  -5.269
  621    HA   ALA  95           HA       ALA  95  13.001  -4.567  -4.567
  622   1HB   ALA  95          1HB       ALA  95  12.558  -3.243  -3.243
  623   2HB   ALA  95          2HB       ALA  95  12.584  -2.219  -2.219
  624   3HB   ALA  95          3HB       ALA  95  11.410  -3.551  -3.551
  625    H    SER  96           HN       SER  96  15.716  -4.571  -4.571
  626    HA   SER  96           HA       SER  96  17.799  -4.143  -4.143
  627   1HB   SER  96          2HB       SER  96  16.745  -3.416  -3.416
  628   2HB   SER  96          3HB       SER  96  16.817  -1.785  -1.785
  629    HG   SER  96           HG       SER  96  18.836  -3.326  -3.326
  630    H    GLY  97           HN       GLY  97  16.631  -3.394  -3.394
  631   1HA   GLY  97          1HA       GLY  97  17.925  -1.940  -1.940
  632   2HA   GLY  97          2HA       GLY  97  17.597  -0.626  -0.626
  633    H    ASN  98           HN       ASN  98  16.151   0.750   0.750
  634    HA   ASN  98           HA       ASN  98  14.083  -0.424  -0.424
  635   1HB   ASN  98          2HB       ASN  98  15.269   1.505   1.505
  636   2HB   ASN  98          3HB       ASN  98  14.986   2.460   2.460
  637   1HD2  ASN  98          2HD2      ASN  98  11.499   1.441   1.441
  638   2HD2  ASN  98          1HD2      ASN  98  12.647   0.260   0.260
  639    H    ASN  99           HN       ASN  99  14.521   0.047   0.047
  640    HA   ASN  99           HA       ASN  99  12.379   1.656   1.656
  641   1HB   ASN  99          2HB       ASN  99  12.688  -0.046  -0.046
  642   2HB   ASN  99          3HB       ASN  99  13.716   1.343   1.343
  643   1HD2  ASN  99          2HD2      ASN  99  15.150  -2.186  -2.186
  644   2HD2  ASN  99          1HD2      ASN  99  13.545  -1.613  -1.613
  645    H    PHE 100           HN       PHE 100  10.397   0.758   0.758
  646    HA   PHE 100           HA       PHE 100   9.475  -1.707  -1.707
  647   1HB   PHE 100          2HB       PHE 100   8.205   0.939   0.939
  648   2HB   PHE 100          3HB       PHE 100   7.187  -0.481  -0.481
  649    HD1  PHE 100           HD2      PHE 100   7.850  -1.849  -1.849
  650    HD2  PHE 100           HD1      PHE 100   8.044   2.338   2.338
  651    HE1  PHE 100           HE2      PHE 100   7.614  -1.448  -1.448
  652    HE2  PHE 100           HE1      PHE 100   7.807   2.738   2.738
  653    HZ   PHE 100           HZ       PHE 100   7.595   0.841   0.841
  654    H    VAL 101           HN       VAL 101   7.648  -2.817  -2.817
  655    HA   VAL 101           HA       VAL 101   7.682  -2.390  -2.390
  656    HB   VAL 101           HB       VAL 101   8.641  -4.597  -4.597
  657   1HG1  VAL 101          1HG1      VAL 101   9.930  -2.392  -2.392
  658   2HG1  VAL 101          2HG1      VAL 101  10.684  -2.944  -2.944
  659   3HG1  VAL 101          3HG1      VAL 101  10.899  -3.885  -3.885
  660   1HG2  VAL 101          3HG2      VAL 101   8.304  -5.460  -5.460
  661   2HG2  VAL 101          1HG2      VAL 101   9.751  -5.977  -5.977
  662   3HG2  VAL 101          2HG2      VAL 101   9.876  -4.692  -4.692
  663    H    GLU 102           HN       GLU 102   5.782  -3.157  -3.157
  664    HA   GLU 102           HA       GLU 102   3.816  -3.996  -3.996
  665   1HB   GLU 102          2HB       GLU 102   2.852  -4.816  -4.816
  666   2HB   GLU 102          3HB       GLU 102   2.799  -3.160  -3.160
  667   1HG   GLU 102          2HG       GLU 102   4.696  -2.515  -2.515
  668   2HG   GLU 102          3HG       GLU 102   5.273  -4.162  -4.162
  669    H    CYS 103           HN       CYS 103   3.289  -5.960  -5.960
  670    HA   CYS 103           HA       CYS 103   4.943  -8.137  -8.137
  671   1HB   CYS 103          2HB       CYS 103   2.027  -8.134  -8.134
  672   2HB   CYS 103          3HB       CYS 103   3.187  -9.407  -9.407
  673    H    THR 104           HN       THR 104   3.189 -10.372 -10.372
  674    HA   THR 104           HA       THR 104   2.736 -10.039 -10.039
  675    HB   THR 104           HB       THR 104   3.386 -12.397 -12.397
  676    HG1  THR 104           HG1      THR 104   2.674 -12.150 -12.150
  677   1HG2  THR 104          1HG2      THR 104   5.320 -10.770 -10.770
  678   2HG2  THR 104          2HG2      THR 104   5.242 -11.098 -11.098
  679   3HG2  THR 104          3HG2      THR 104   5.663 -12.405 -12.405

  Start of MODEL    6
    1    H    ALA   1           HN       ALA   1 -10.074 -14.400 -14.400
    2    HA   ALA   1           HA       ALA   1  -9.014 -14.818 -14.818
    3   1HB   ALA   1          2HB       ALA   1  -7.546 -16.778 -16.778
    4   2HB   ALA   1          3HB       ALA   1  -7.420 -16.772 -16.772
    5   3HB   ALA   1          1HB       ALA   1  -8.986 -17.099 -17.099
    6    H    CYS   2           HN       CYS   2  -6.368 -15.324 -15.324
    7    HA   CYS   2           HA       CYS   2  -5.229 -12.966 -12.966
    8   1HB   CYS   2          2HB       CYS   2  -3.021 -14.625 -14.625
    9   2HB   CYS   2          3HB       CYS   2  -3.733 -14.216 -14.216
   10    H    ASP   3           HN       ASP   3  -4.325 -11.399 -11.399
   11    HA   ASP   3           HA       ASP   3  -3.584 -12.271 -12.271
   12   1HB   ASP   3          2HB       ASP   3  -5.425 -10.095 -10.095
   13   2HB   ASP   3          3HB       ASP   3  -4.301  -9.636  -9.636
   14    H    TYR   4           HN       TYR   4  -2.725 -10.886 -10.886
   15    HA   TYR   4           HA       TYR   4  -0.384  -9.597  -9.597
   16   1HB   TYR   4          2HB       TYR   4  -2.193  -8.694  -8.694
   17   2HB   TYR   4          3HB       TYR   4  -0.690  -7.895  -7.895
   18    HD1  TYR   4           HD2      TYR   4  -0.502  -6.934  -6.934
   19    HD2  TYR   4           HD1      TYR   4  -4.206  -7.993  -7.993
   20    HE1  TYR   4           HE2      TYR   4  -1.757  -5.439  -5.439
   21    HE2  TYR   4           HE1      TYR   4  -5.448  -6.494  -6.494
   22    HH   TYR   4           HH       TYR   4  -4.983  -5.649  -5.649
   23    H    THR   5           HN       THR   5   0.854 -11.501 -11.501
   24    HA   THR   5           HA       THR   5   1.016 -12.226 -12.226
   25    HB   THR   5           HB       THR   5   1.904 -13.507 -13.507
   26    HG1  THR   5           HG1      THR   5   0.413 -15.142 -15.142
   27   1HG2  THR   5          1HG2      THR   5   3.124 -13.850 -13.850
   28   2HG2  THR   5          2HG2      THR   5   2.085 -15.266 -15.266
   29   3HG2  THR   5          3HG2      THR   5   3.366 -14.845 -14.845
   30    H    CYS   6           HN       CYS   6   2.303 -10.923 -10.923
   31    HA   CYS   6           HA       CYS   6   4.584  -9.720  -9.720
   32   1HB   CYS   6          2HB       CYS   6   3.325  -9.565  -9.565
   33   2HB   CYS   6          3HB       CYS   6   4.941  -8.940  -8.940
   34    H    GLY   7           HN       GLY   7   5.224 -12.182 -12.182
   35   1HA   GLY   7          1HA       GLY   7   6.877 -13.691 -13.691
   36   2HA   GLY   7          2HA       GLY   7   7.429 -12.794 -12.794
   37    H    SER   8           HN       SER   8   5.451 -12.846 -12.846
   38    HA   SER   8           HA       SER   8   4.694 -15.651 -15.651
   39   1HB   SER   8          2HB       SER   8   5.443 -15.819 -15.819
   40   2HB   SER   8          3HB       SER   8   6.755 -15.020 -15.020
   41    HG   SER   8           HG       SER   8   4.717 -13.737 -13.737
   42    H    ASN   9           HN       ASN   9   2.863 -13.954 -13.954
   43    HA   ASN   9           HA       ASN   9   1.096 -13.571 -13.571
   44   1HB   ASN   9          2HB       ASN   9   1.396 -11.531 -11.531
   45   2HB   ASN   9          3HB       ASN   9   0.333 -11.385 -11.385
   46   1HD2  ASN   9          2HD2      ASN   9   4.446 -11.108 -11.108
   47   2HD2  ASN   9          1HD2      ASN   9   3.755 -12.139 -12.139
   48    H    CYS  10           HN       CYS  10  -1.187 -12.687 -12.687
   49    HA   CYS  10           HA       CYS  10  -1.610 -13.732 -13.732
   50   1HB   CYS  10          2HB       CYS  10  -1.354 -15.818 -15.818
   51   2HB   CYS  10          3HB       CYS  10  -3.079 -15.525 -15.525
   52    H    TYR  11           HN       TYR  11  -2.278 -11.332 -11.332
   53    HA   TYR  11           HA       TYR  11  -5.115 -11.473 -11.473
   54   1HB   TYR  11          2HB       TYR  11  -4.363  -9.004  -9.004
   55   2HB   TYR  11          3HB       TYR  11  -4.131 -10.399 -10.399
   56    HD1  TYR  11           HD2      TYR  11  -2.149  -9.375  -9.375
   57    HD2  TYR  11           HD1      TYR  11  -2.213  -9.878  -9.878
   58    HE1  TYR  11           HE2      TYR  11   0.345  -8.889  -8.889
   59    HE2  TYR  11           HE1      TYR  11   0.282  -9.390  -9.390
   60    HH   TYR  11           HH       TYR  11   1.896  -7.977  -7.977
   61    H    SER  12           HN       SER  12  -6.009 -11.290 -11.290
   62    HA   SER  12           HA       SER  12  -4.914  -9.691  -9.691
   63   1HB   SER  12          2HB       SER  12  -6.371 -11.233 -11.233
   64   2HB   SER  12          3HB       SER  12  -7.473 -11.157 -11.157
   65    HG   SER  12           HG       SER  12  -8.290 -10.226 -10.226
   66    H    SER  13           HN       SER  13  -6.643  -7.940  -7.940
   67    HA   SER  13           HA       SER  13  -6.395  -5.698  -5.698
   68   1HB   SER  13          2HB       SER  13  -8.466  -4.939  -4.939
   69   2HB   SER  13          3HB       SER  13  -6.881  -5.222  -5.222
   70    HG   SER  13           HG       SER  13  -8.450  -7.540  -7.540
   71    H    SER  14           HN       SER  14  -8.597  -8.332  -8.332
   72    HA   SER  14           HA       SER  14 -10.629  -6.767  -6.767
   73   1HB   SER  14          2HB       SER  14 -11.156  -8.878  -8.878
   74   2HB   SER  14          3HB       SER  14 -10.158  -9.781  -9.781
   75    HG   SER  14           HG       SER  14 -12.755  -9.185  -9.185
   76    H    ASP  15           HN       ASP  15  -7.693  -8.540  -8.540
   77    HA   ASP  15           HA       ASP  15  -8.388  -8.556  -8.556
   78   1HB   ASP  15          2HB       ASP  15  -6.095  -9.461  -9.461
   79   2HB   ASP  15          3HB       ASP  15  -5.700  -9.078  -9.078
   80    H    VAL  16           HN       VAL  16  -6.226  -6.778  -6.778
   81    HA   VAL  16           HA       VAL  16  -4.737  -5.301  -5.301
   82    HB   VAL  16           HB       VAL  16  -5.900  -4.655  -4.655
   83   1HG1  VAL  16          2HG1      VAL  16  -4.352  -2.939  -2.939
   84   2HG1  VAL  16          3HG1      VAL  16  -3.732  -3.018  -3.018
   85   3HG1  VAL  16          1HG1      VAL  16  -5.409  -2.501  -2.501
   86   1HG2  VAL  16          1HG2      VAL  16  -4.275  -6.559  -6.559
   87   2HG2  VAL  16          2HG2      VAL  16  -3.736  -5.251  -5.251
   88   3HG2  VAL  16          3HG2      VAL  16  -3.063  -5.382  -5.382
   89    H    SER  17           HN       SER  17  -8.038  -4.560  -4.560
   90    HA   SER  17           HA       SER  17  -8.463  -2.144  -2.144
   91   1HB   SER  17          2HB       SER  17 -10.112  -3.620  -3.620
   92   2HB   SER  17          3HB       SER  17 -10.450  -4.441  -4.441
   93    HG   SER  17           HG       SER  17 -11.353  -1.974  -1.974
   94    H    THR  18           HN       THR  18  -8.823  -5.235  -5.235
   95    HA   THR  18           HA       THR  18  -9.675  -4.233  -4.233
   96    HB   THR  18           HB       THR  18  -7.990  -6.568  -6.568
   97    HG1  THR  18           HG1      THR  18 -10.220  -6.903  -6.903
   98   1HG2  THR  18          1HG2      THR  18  -7.996  -5.458  -5.458
   99   2HG2  THR  18          2HG2      THR  18  -8.636  -7.117  -7.117
  100   3HG2  THR  18          3HG2      THR  18  -6.999  -6.763  -6.763
  101    H    ALA  19           HN       ALA  19  -6.195  -4.681  -4.681
  102    HA   ALA  19           HA       ALA  19  -5.158  -3.496  -3.496
  103   1HB   ALA  19          1HB       ALA  19  -4.260  -4.259  -4.259
  104   2HB   ALA  19          2HB       ALA  19  -3.342  -2.908  -2.908
  105   3HB   ALA  19          3HB       ALA  19  -3.450  -4.459  -4.459
  106    H    GLN  20           HN       GLN  20  -6.203  -2.061  -2.061
  107    HA   GLN  20           HA       GLN  20  -5.285   0.482   0.482
  108   1HB   GLN  20          2HB       GLN  20  -7.830  -0.167  -0.167
  109   2HB   GLN  20          3HB       GLN  20  -6.739   1.179   1.179
  110   1HG   GLN  20          2HG       GLN  20  -5.030  -1.012  -1.012
  111   2HG   GLN  20          3HG       GLN  20  -6.517  -1.633  -1.633
  112   1HE2  GLN  20          2HE2      GLN  20  -6.654   1.296   1.296
  113   2HE2  GLN  20          1HE2      GLN  20  -7.598   0.746   0.746
  114    H    ALA  21           HN       ALA  21  -8.578  -0.945  -0.945
  115    HA   ALA  21           HA       ALA  21  -9.966   1.107   1.107
  116   1HB   ALA  21          2HB       ALA  21  -9.694  -1.709  -1.709
  117   2HB   ALA  21          3HB       ALA  21 -10.929  -0.567  -0.567
  118   3HB   ALA  21          1HB       ALA  21 -10.923  -1.076  -1.076
  119    H    ALA  22           HN       ALA  22  -7.182  -0.446  -0.446
  120    HA   ALA  22           HA       ALA  22  -7.554   1.003   1.003
  121   1HB   ALA  22          1HB       ALA  22  -6.392  -1.259  -1.259
  122   2HB   ALA  22          2HB       ALA  22  -5.016  -0.330  -0.330
  123   3HB   ALA  22          3HB       ALA  22  -5.549  -0.085  -0.085
  124    H    GLY  23           HN       GLY  23  -5.233   1.213   1.213
  125   1HA   GLY  23          1HA       GLY  23  -3.850   3.466   3.466
  126   2HA   GLY  23          2HA       GLY  23  -4.048   2.943   2.943
  127    H    TYR  24           HN       TYR  24  -6.913   3.152   3.152
  128    HA   TYR  24           HA       TYR  24  -7.126   5.896   5.896
  129   1HB   TYR  24          2HB       TYR  24  -8.296   3.613   3.613
  130   2HB   TYR  24          3HB       TYR  24  -9.431   3.936   3.936
  131    HD1  TYR  24           HD1      TYR  24  -8.026   5.334   5.334
  132    HD2  TYR  24           HD2      TYR  24 -11.177   5.527   5.527
  133    HE1  TYR  24           HE1      TYR  24  -9.339   6.885   6.885
  134    HE2  TYR  24           HE2      TYR  24 -12.480   7.078   7.078
  135    HH   TYR  24           HH       TYR  24 -11.793   8.752   8.752
  136    H    LYS  25           HN       LYS  25  -9.164   3.916   3.916
  137    HA   LYS  25           HA       LYS  25 -10.462   5.933   5.933
  138   1HB   LYS  25          2HB       LYS  25 -10.867   3.532   3.532
  139   2HB   LYS  25          3HB       LYS  25  -9.389   3.410   3.410
  140   1HG   LYS  25          2HG       LYS  25 -11.213   3.661   3.661
  141   2HG   LYS  25          3HG       LYS  25 -10.304   5.159   5.159
  142   1HD   LYS  25          2HD       LYS  25 -11.948   6.271   6.271
  143   2HD   LYS  25          3HD       LYS  25 -12.773   4.760   4.760
  144   1HE   LYS  25          2HE       LYS  25 -13.473   4.561   4.561
  145   2HE   LYS  25          3HE       LYS  25 -12.522   5.963   5.963
  146   1HZ   LYS  25          2HZ       LYS  25 -14.612   6.150   6.150
  147   2HZ   LYS  25          3HZ       LYS  25 -14.963   6.296   6.296
  148   3HZ   LYS  25          1HZ       LYS  25 -13.940   7.353   7.353
  149    H    LEU  26           HN       LEU  26  -7.206   4.633   4.633
  150    HA   LEU  26           HA       LEU  26  -6.838   6.482   6.482
  151   1HB   LEU  26          2HB       LEU  26  -5.564   4.553   4.553
  152   2HB   LEU  26          3HB       LEU  26  -5.081   4.639   4.639
  153    HG   LEU  26           HG       LEU  26  -3.590   6.519   6.519
  154   1HD1  LEU  26          3HD1      LEU  26  -4.998   6.463   6.463
  155   2HD1  LEU  26          1HD1      LEU  26  -3.237   6.707   6.707
  156   3HD1  LEU  26          2HD1      LEU  26  -4.244   7.814   7.814
  157   1HD2  LEU  26          2HD2      LEU  26  -2.785   4.178   4.178
  158   2HD2  LEU  26          3HD2      LEU  26  -1.890   5.310   5.310
  159   3HD2  LEU  26          1HD2      LEU  26  -3.109   4.222   4.222
  160    H    HIS  27           HN       HIS  27  -6.263   6.576   6.576
  161    HA   HIS  27           HA       HIS  27  -4.642   8.864   8.864
  162   1HB   HIS  27          2HB       HIS  27  -4.579   7.471   7.471
  163   2HB   HIS  27          3HB       HIS  27  -6.320   7.513   7.513
  164    HD1  HIS  27           HD1      HIS  27  -3.548  10.183  10.183
  165    HD2  HIS  27           HD2      HIS  27  -6.993   9.140   9.140
  166    HE1  HIS  27           HE1      HIS  27  -3.788  11.924  11.924
  167    HE2  HIS  27           HE2      HIS  27  -5.890  11.200  11.200
  168    H    GLU  28           HN       GLU  28  -8.201   8.346   8.346
  169    HA   GLU  28           HA       GLU  28  -8.758  11.047  11.047
  170   1HB   GLU  28          2HB       GLU  28 -10.975   9.685   9.685
  171   2HB   GLU  28          3HB       GLU  28 -10.817  10.205  10.205
  172   1HG   GLU  28          2HG       GLU  28  -9.465   8.117   8.117
  173   2HG   GLU  28          3HG       GLU  28  -9.754   7.590   7.590
  174    H    ASP  29           HN       ASP  29  -7.979   9.169   9.169
  175    HA   ASP  29           HA       ASP  29  -9.233  10.999  10.999
  176   1HB   ASP  29          2HB       ASP  29  -7.163   8.812   8.812
  177   2HB   ASP  29          3HB       ASP  29  -8.087   9.639   9.639
  178    H    GLY  30           HN       GLY  30  -6.178  10.595  10.595
  179   1HA   GLY  30          1HA       GLY  30  -4.436  12.040  12.040
  180   2HA   GLY  30          2HA       GLY  30  -5.166  13.082  13.082
  181    H    GLU  31           HN       GLU  31  -4.825   9.650   9.650
  182    HA   GLU  31           HA       GLU  31  -2.803  10.407  10.407
  183   1HB   GLU  31          2HB       GLU  31  -4.956   8.324   8.324
  184   2HB   GLU  31          3HB       GLU  31  -3.496   7.894   7.894
  185   1HG   GLU  31          2HG       GLU  31  -4.990  10.503  10.503
  186   2HG   GLU  31          3HG       GLU  31  -5.360   9.026   9.026
  187    H    THR  32           HN       THR  32  -1.427   8.156   8.156
  188    HA   THR  32           HA       THR  32  -0.521   7.044   7.044
  189    HB   THR  32           HB       THR  32   1.820   7.544   7.544
  190    HG1  THR  32           HG1      THR  32   0.455   8.868   8.868
  191   1HG2  THR  32          3HG2      THR  32  -0.103   9.909   9.909
  192   2HG2  THR  32          1HG2      THR  32   1.663  10.122  10.122
  193   3HG2  THR  32          2HG2      THR  32   0.911   9.439   9.439
  194    H    VAL  33           HN       VAL  33   1.358   5.324   5.324
  195    HA   VAL  33           HA       VAL  33   0.377   3.859   3.859
  196    HB   VAL  33           HB       VAL  33   0.158   1.835   1.835
  197   1HG1  VAL  33          2HG1      VAL  33  -1.468   4.061   4.061
  198   2HG1  VAL  33          3HG1      VAL  33  -1.227   3.308   3.308
  199   3HG1  VAL  33          1HG1      VAL  33  -1.887   2.349   2.349
  200   1HG2  VAL  33          2HG2      VAL  33   1.326   3.334   3.334
  201   2HG2  VAL  33          3HG2      VAL  33   1.996   1.914   1.914
  202   3HG2  VAL  33          1HG2      VAL  33   0.518   1.754   1.754
  203    H    GLY  34           HN       GLY  34   1.995   2.831   2.831
  204   1HA   GLY  34          1HA       GLY  34   4.070   2.155   2.155
  205   2HA   GLY  34          2HA       GLY  34   4.524   2.180   2.180
  206    H    SER  35           HN       SER  35   6.600   3.123   3.123
  207    HA   SER  35           HA       SER  35   6.476   5.781   5.781
  208   1HB   SER  35          2HB       SER  35   8.953   4.168   4.168
  209   2HB   SER  35          3HB       SER  35   8.889   5.589   5.589
  210    HG   SER  35           HG       SER  35   7.321   4.167   4.167
  211    H    ASN  36           HN       ASN  36   5.539   5.003   5.003
  212    HA   ASN  36           HA       ASN  36   7.458   6.610   6.610
  213   1HB   ASN  36          2HB       ASN  36   5.886   4.175   4.175
  214   2HB   ASN  36          3HB       ASN  36   5.737   5.419   5.419
  215   1HD2  ASN  36          2HD2      ASN  36   8.570   3.559   3.559
  216   2HD2  ASN  36          1HD2      ASN  36   6.840   3.535   3.535
  217    H    SER  37           HN       SER  37   5.722   7.201   7.201
  218    HA   SER  37           HA       SER  37   3.588   8.674   8.674
  219   1HB   SER  37          2HB       SER  37   4.037  10.601  10.601
  220   2HB   SER  37          3HB       SER  37   5.645  10.003  10.003
  221    HG   SER  37           HG       SER  37   5.994   9.607   9.607
  222    H    TYR  38           HN       TYR  38   3.229   6.046   6.046
  223    HA   TYR  38           HA       TYR  38   2.064   6.370   6.370
  224   1HB   TYR  38          2HB       TYR  38   2.526   4.051   4.051
  225   2HB   TYR  38          3HB       TYR  38   1.791   3.818   3.818
  226    HD1  TYR  38           HD2      TYR  38   4.660   6.070   6.070
  227    HD2  TYR  38           HD1      TYR  38   3.389   2.400   2.400
  228    HE1  TYR  38           HE2      TYR  38   6.962   5.769   5.769
  229    HE2  TYR  38           HE1      TYR  38   5.695   2.112   2.112
  230    HH   TYR  38           HH       TYR  38   8.315   4.322   4.322
  231    HA   PRO  39           HA       PRO  39   0.746   5.341   5.341
  232   1HB   PRO  39          2HB       PRO  39  -1.380   6.210   6.210
  233   2HB   PRO  39          3HB       PRO  39  -1.221   4.561   4.561
  234   1HG   PRO  39          2HG       PRO  39  -2.981   6.711   6.711
  235   2HG   PRO  39          3HG       PRO  39  -3.101   4.981   4.981
  236   1HD   PRO  39          2HD       PRO  39  -2.138   6.932   6.932
  237   2HD   PRO  39          3HD       PRO  39  -2.150   5.192   5.192
  238    H    HIS  40           HN       HIS  40   0.586   6.823   6.823
  239    HA   HIS  40           HA       HIS  40   0.513   9.542   9.542
  240   1HB   HIS  40          2HB       HIS  40   2.807  10.210  10.210
  241   2HB   HIS  40          3HB       HIS  40   2.378   9.175   9.175
  242    HD1  HIS  40           HD1      HIS  40   4.393   9.151   9.151
  243    HD2  HIS  40           HD2      HIS  40   3.872   6.833   6.833
  244    HE1  HIS  40           HE1      HIS  40   6.237   7.388   7.388
  245    HE2  HIS  40           HE2      HIS  40   5.899   6.029   6.029
  246    H    LYS  41           HN       LYS  41   1.688  10.719  10.719
  247    HA   LYS  41           HA       LYS  41   0.858   9.690   9.690
  248   1HB   LYS  41          2HB       LYS  41   1.664  12.036  12.036
  249   2HB   LYS  41          3HB       LYS  41   3.297  11.457  11.457
  250   1HG   LYS  41          2HG       LYS  41   2.512  12.428  12.428
  251   2HG   LYS  41          3HG       LYS  41   2.630  10.694  10.694
  252   1HD   LYS  41          2HD       LYS  41   0.224  10.411  10.411
  253   2HD   LYS  41          3HD       LYS  41   0.027  12.070  12.070
  254   1HE   LYS  41          2HE       LYS  41   1.219  11.476  11.476
  255   2HE   LYS  41          3HE       LYS  41  -0.518  11.446  11.446
  256   1HZ   LYS  41          3HZ       LYS  41   0.159  13.726  13.726
  257   2HZ   LYS  41          1HZ       LYS  41   1.261  13.679  13.679
  258   3HZ   LYS  41          2HZ       LYS  41  -0.333  13.617  13.617
  259    H    TYR  42           HN       TYR  42   2.157   8.914   8.914
  260    HA   TYR  42           HA       TYR  42   4.522   7.391   7.391
  261   1HB   TYR  42          2HB       TYR  42   2.662   5.820   5.820
  262   2HB   TYR  42          3HB       TYR  42   1.818   6.385   6.385
  263    HD1  TYR  42           HD1      TYR  42   2.503   5.647   5.647
  264    HD2  TYR  42           HD2      TYR  42   4.482   4.205   4.205
  265    HE1  TYR  42           HE1      TYR  42   3.548   3.765   3.765
  266    HE2  TYR  42           HE2      TYR  42   5.520   2.328   2.328
  267    HH   TYR  42           HH       TYR  42   6.002   1.703   1.703
  268    H    ASN  43           HN       ASN  43   3.321   9.706   9.706
  269    HA   ASN  43           HA       ASN  43   3.163   9.668   9.668
  270   1HB   ASN  43          2HB       ASN  43   5.429  10.860  10.860
  271   2HB   ASN  43          3HB       ASN  43   5.729  10.749  10.749
  272   1HD2  ASN  43          2HD2      ASN  43   3.378  13.626  13.626
  273   2HD2  ASN  43          1HD2      ASN  43   4.403  12.562  12.562
  274    H    ASN  44           HN       ASN  44   3.264   7.464   7.464
  275    HA   ASN  44           HA       ASN  44   5.404   5.812   5.812
  276   1HB   ASN  44          2HB       ASN  44   4.360   4.611   4.611
  277   2HB   ASN  44          3HB       ASN  44   3.036   5.407   5.407
  278   1HD2  ASN  44          2HD2      ASN  44   4.221   6.501   6.501
  279   2HD2  ASN  44          1HD2      ASN  44   5.190   5.498   5.498
  280    H    TYR  45           HN       TYR  45   6.713   5.149   5.149
  281    HA   TYR  45           HA       TYR  45   7.248   7.038   7.038
  282   1HB   TYR  45          2HB       TYR  45   8.625   7.264   7.264
  283   2HB   TYR  45          3HB       TYR  45   9.723   7.280   7.280
  284    HD1  TYR  45           HD1      TYR  45   6.701   8.619   8.619
  285    HD2  TYR  45           HD2      TYR  45  10.065   9.617   9.617
  286    HE1  TYR  45           HE1      TYR  45   6.231  11.093  11.093
  287    HE2  TYR  45           HE2      TYR  45   9.584  12.086  12.086
  288    HH   TYR  45           HH       TYR  45   7.537  13.195  13.195
  289    H    GLU  46           HN       GLU  46   8.679   4.564   4.564
  290    HA   GLU  46           HA       GLU  46  10.683   3.644   3.644
  291   1HB   GLU  46          2HB       GLU  46   8.664   1.996   1.996
  292   2HB   GLU  46          3HB       GLU  46  10.211   1.386   1.386
  293   1HG   GLU  46          2HG       GLU  46   9.608   3.304   3.304
  294   2HG   GLU  46          3HG       GLU  46  10.880   2.104   2.104
  295    H    GLY  47           HN       GLY  47   7.296   3.604   3.604
  296   1HA   GLY  47          1HA       GLY  47   6.867   3.275   3.275
  297   2HA   GLY  47          2HA       GLY  47   7.883   1.848   1.848
  298    H    PHE  48           HN       PHE  48   5.160   3.178   3.178
  299    HA   PHE  48           HA       PHE  48   4.051   0.477   0.477
  300   1HB   PHE  48          2HB       PHE  48   3.637   3.078   3.078
  301   2HB   PHE  48          3HB       PHE  48   2.617   1.675   1.675
  302    HD1  PHE  48           HD2      PHE  48   3.614  -0.426  -0.426
  303    HD2  PHE  48           HD1      PHE  48   5.820   3.193   3.193
  304    HE1  PHE  48           HE2      PHE  48   5.269  -1.337  -1.337
  305    HE2  PHE  48           HE1      PHE  48   7.477   2.281   2.281
  306    HZ   PHE  48           HZ       PHE  48   7.181   0.027   0.027
  307    H    ASP  49           HN       ASP  49   2.119  -0.034  -0.034
  308    HA   ASP  49           HA       ASP  49   0.933   2.097   2.097
  309   1HB   ASP  49          2HB       ASP  49  -0.086  -0.735  -0.735
  310   2HB   ASP  49          3HB       ASP  49   0.065   0.420   0.420
  311    H    PHE  50           HN       PHE  50   0.071   3.005   3.005
  312    HA   PHE  50           HA       PHE  50  -1.909   1.466   1.466
  313   1HB   PHE  50          2HB       PHE  50  -1.018   4.409   4.409
  314   2HB   PHE  50          3HB       PHE  50  -2.240   3.825   3.825
  315    HD1  PHE  50           HD1      PHE  50  -0.352   1.070   1.070
  316    HD2  PHE  50           HD2      PHE  50   0.034   5.116   5.116
  317    HE1  PHE  50           HE1      PHE  50   1.443   0.409   0.409
  318    HE2  PHE  50           HE2      PHE  50   1.829   4.456   4.456
  319    HZ   PHE  50           HZ       PHE  50   2.512   2.109   2.109
  320    H    SER  51           HN       SER  51  -3.808   0.987   0.987
  321    HA   SER  51           HA       SER  51  -4.846   2.727   2.727
  322   1HB   SER  51          2HB       SER  51  -6.708   1.110   1.110
  323   2HB   SER  51          3HB       SER  51  -5.164   0.281   0.281
  324    HG   SER  51           HG       SER  51  -5.950   0.585   0.585
  325    H    VAL  52           HN       VAL  52  -4.454   3.861   3.861
  326    HA   VAL  52           HA       VAL  52  -7.242   4.659   4.659
  327    HB   VAL  52           HB       VAL  52  -6.864   4.696   4.696
  328   1HG1  VAL  52          3HG1      VAL  52  -7.415   2.497   2.497
  329   2HG1  VAL  52          1HG1      VAL  52  -5.690   2.077   2.077
  330   3HG1  VAL  52          2HG1      VAL  52  -6.651   2.363   2.363
  331   1HG2  VAL  52          3HG2      VAL  52  -3.987   4.273   4.273
  332   2HG2  VAL  52          1HG2      VAL  52  -4.705   5.407   5.407
  333   3HG2  VAL  52          2HG2      VAL  52  -4.577   3.678   3.678
  334    H    SER  53           HN       SER  53  -7.458   6.875   6.875
  335    HA   SER  53           HA       SER  53  -5.465   8.541   8.541
  336   1HB   SER  53          2HB       SER  53  -8.004   8.852   8.852
  337   2HB   SER  53          3HB       SER  53  -8.020   9.408   9.408
  338    HG   SER  53           HG       SER  53  -7.843  11.225  11.225
  339    H    SER  54           HN       SER  54  -4.298  10.223  10.223
  340    HA   SER  54           HA       SER  54  -3.550   9.456   9.456
  341   1HB   SER  54          2HB       SER  54  -1.850  11.000  11.000
  342   2HB   SER  54          3HB       SER  54  -2.294  10.814  10.814
  343    HG   SER  54           HG       SER  54  -2.384  13.059  13.059
  344    HA   PRO  55           HA       PRO  55  -2.346  11.270  11.270
  345   1HB   PRO  55          2HB       PRO  55  -2.114  11.596  11.596
  346   2HB   PRO  55          3HB       PRO  55  -1.970  12.918  12.918
  347   1HG   PRO  55          2HG       PRO  55  -4.223  12.256  12.256
  348   2HG   PRO  55          3HG       PRO  55  -3.877  13.768  13.768
  349   1HD   PRO  55          2HD       PRO  55  -5.851  11.827  11.827
  350   2HD   PRO  55          3HD       PRO  55  -5.425  13.282  13.282
  351    H    TYR  56           HN       TYR  56  -0.916   9.618   9.618
  352    HA   TYR  56           HA       TYR  56  -2.521   7.249   7.249
  353   1HB   TYR  56          2HB       TYR  56   0.388   7.799   7.799
  354   2HB   TYR  56          3HB       TYR  56  -0.247   6.183   6.183
  355    HD1  TYR  56           HD1      TYR  56  -3.046   6.849   6.849
  356    HD2  TYR  56           HD2      TYR  56   0.973   7.483   7.483
  357    HE1  TYR  56           HE1      TYR  56  -3.829   6.807   6.807
  358    HE2  TYR  56           HE2      TYR  56   0.176   7.439   7.439
  359    HH   TYR  56           HH       TYR  56  -3.268   7.223   7.223
  360    H    TYR  57           HN       TYR  57  -2.528   6.328   6.328
  361    HA   TYR  57           HA       TYR  57  -0.546   7.347   7.347
  362   1HB   TYR  57          2HB       TYR  57  -3.240   5.883   5.883
  363   2HB   TYR  57          3HB       TYR  57  -2.323   6.604   6.604
  364    HD1  TYR  57           HD2      TYR  57  -1.670   9.022   9.022
  365    HD2  TYR  57           HD1      TYR  57  -5.146   7.283   7.283
  366    HE1  TYR  57           HE2      TYR  57  -2.935  11.205  11.205
  367    HE2  TYR  57           HE1      TYR  57  -6.399   9.471   9.471
  368    HH   TYR  57           HH       TYR  57  -4.774  12.360  12.360
  369    H    GLU  58           HN       GLU  58   1.023   5.996   5.996
  370    HA   GLU  58           HA       GLU  58   0.786   3.226   3.226
  371   1HB   GLU  58          2HB       GLU  58   3.199   3.114   3.114
  372   2HB   GLU  58          3HB       GLU  58   2.883   4.320   4.320
  373   1HG   GLU  58          2HG       GLU  58   2.830   6.105   6.105
  374   2HG   GLU  58          3HG       GLU  58   3.097   4.907   4.907
  375    H    TRP  59           HN       TRP  59   0.687   1.488   1.488
  376    HA   TRP  59           HA       TRP  59   1.028   1.989   1.989
  377   1HB   TRP  59          2HB       TRP  59  -1.181   2.767   2.767
  378   2HB   TRP  59          3HB       TRP  59  -1.691   1.535   1.535
  379    HD1  TRP  59           HD1      TRP  59  -2.326  -0.890  -0.890
  380    HE1  TRP  59           HE1      TRP  59  -2.842  -1.811  -1.811
  381    HE3  TRP  59           HE3      TRP  59  -0.444   3.119   3.119
  382    HZ2  TRP  59           HZ2      TRP  59  -2.415  -0.782  -0.782
  383    HZ3  TRP  59           HZ3      TRP  59  -0.533   3.082   3.082
  384    HH2  TRP  59           HH2      TRP  59  -1.475   1.219   1.219
  385    HA   PRO  60           HA       PRO  60   2.174  -2.175  -2.175
  386   1HB   PRO  60          2HB       PRO  60   2.401  -2.939  -2.939
  387   2HB   PRO  60          3HB       PRO  60   3.650  -2.051  -2.051
  388   1HG   PRO  60          2HG       PRO  60   1.734  -1.072  -1.072
  389   2HG   PRO  60          3HG       PRO  60   3.232  -0.339  -0.339
  390   1HD   PRO  60          2HD       PRO  60   0.573   0.452   0.452
  391   2HD   PRO  60          3HD       PRO  60   2.071   1.108   1.108
  392    H    ILE  61           HN       ILE  61   1.424  -4.277  -4.277
  393    HA   ILE  61           HA       ILE  61  -1.312  -4.530  -4.530
  394    HB   ILE  61           HB       ILE  61  -1.328  -4.273  -4.273
  395   1HG1  ILE  61          2HG1      ILE  61  -1.925  -7.044  -7.044
  396   2HG1  ILE  61          3HG1      ILE  61  -3.032  -5.707  -5.707
  397   1HG2  ILE  61          3HG2      ILE  61   1.094  -5.165  -5.165
  398   2HG2  ILE  61          1HG2      ILE  61   0.322  -6.762  -6.762
  399   3HG2  ILE  61          2HG2      ILE  61  -0.062  -5.477  -5.477
  400   1HD1  ILE  61          1HD1      ILE  61  -1.522  -7.112  -7.112
  401   2HD1  ILE  61          2HD1      ILE  61  -3.209  -7.452  -7.452
  402   3HD1  ILE  61          3HD1      ILE  61  -2.767  -5.853  -5.853
  403    H    LEU  62           HN       LEU  62  -1.394  -5.915  -5.915
  404    HA   LEU  62           HA       LEU  62   0.734  -7.827  -7.827
  405   1HB   LEU  62          2HB       LEU  62  -1.700  -7.191  -7.191
  406   2HB   LEU  62          3HB       LEU  62  -0.438  -8.320  -8.320
  407    HG   LEU  62           HG       LEU  62   0.057  -5.380  -5.380
  408   1HD1  LEU  62          2HD1      LEU  62  -0.582  -6.821  -6.821
  409   2HD1  LEU  62          3HD1      LEU  62   0.253  -5.250  -5.250
  410   3HD1  LEU  62          1HD1      LEU  62  -1.392  -5.407  -5.407
  411   1HD2  LEU  62          1HD2      LEU  62   1.801  -7.620  -7.620
  412   2HD2  LEU  62          2HD2      LEU  62   2.207  -5.905  -5.905
  413   3HD2  LEU  62          3HD2      LEU  62   1.971  -6.533  -6.533
  414    H    SER  63           HN       SER  63   0.719  -9.831  -9.831
  415    HA   SER  63           HA       SER  63  -1.364 -10.765 -10.765
  416   1HB   SER  63          2HB       SER  63   1.207 -11.762 -11.762
  417   2HB   SER  63          3HB       SER  63   0.026 -13.053 -13.053
  418    HG   SER  63           HG       SER  63  -0.359 -11.822 -11.822
  419    H    SER  64           HN       SER  64  -1.072 -10.557 -10.557
  420    HA   SER  64           HA       SER  64  -2.642 -12.862 -12.862
  421   1HB   SER  64          2HB       SER  64  -1.357 -10.648 -10.648
  422   2HB   SER  64          3HB       SER  64  -2.740 -11.420 -11.420
  423    HG   SER  64           HG       SER  64  -1.523 -13.517 -13.517
  424    H    GLY  65           HN       GLY  65  -3.196  -9.573  -9.573
  425   1HA   GLY  65          1HA       GLY  65  -5.216  -8.693  -8.693
  426   2HA   GLY  65          2HA       GLY  65  -6.068  -9.963  -9.963
  427    H    ASP  66           HN       ASP  66  -3.442  -7.972  -7.972
  428    HA   ASP  66           HA       ASP  66  -5.447  -6.953  -6.953
  429   1HB   ASP  66          2HB       ASP  66  -2.439  -7.381  -7.381
  430   2HB   ASP  66          3HB       ASP  66  -3.318  -6.412  -6.412
  431    H    VAL  67           HN       VAL  67  -4.124  -4.741  -4.741
  432    HA   VAL  67           HA       VAL  67  -3.690  -3.058  -3.058
  433    HB   VAL  67           HB       VAL  67  -5.023  -2.579  -2.579
  434   1HG1  VAL  67          3HG1      VAL  67  -4.005  -0.449  -0.449
  435   2HG1  VAL  67          1HG1      VAL  67  -5.096  -0.164  -0.164
  436   3HG1  VAL  67          2HG1      VAL  67  -3.436  -0.744  -0.744
  437   1HG2  VAL  67          1HG2      VAL  67  -5.812  -2.687  -2.687
  438   2HG2  VAL  67          2HG2      VAL  67  -6.753  -3.040  -3.040
  439   3HG2  VAL  67          3HG2      VAL  67  -6.530  -1.356  -1.356
  440    H    TYR  68           HN       TYR  68  -1.511  -2.888  -2.888
  441    HA   TYR  68           HA       TYR  68   0.470  -3.319  -3.319
  442   1HB   TYR  68          2HB       TYR  68   1.090  -2.810  -2.810
  443   2HB   TYR  68          3HB       TYR  68  -0.058  -1.492  -1.492
  444    HD1  TYR  68           HD1      TYR  68   3.073  -2.357  -2.357
  445    HD2  TYR  68           HD2      TYR  68   0.792   0.664   0.664
  446    HE1  TYR  68           HE1      TYR  68   4.950  -0.683  -0.683
  447    HE2  TYR  68           HE2      TYR  68   2.676   2.327   2.327
  448    HH   TYR  68           HH       TYR  68   5.348   1.972   1.972
  449    H    SER  69           HN       SER  69   0.180  -2.658  -2.658
  450    HA   SER  69           HA       SER  69  -0.219   0.181   0.181
  451   1HB   SER  69          2HB       SER  69  -0.760  -0.382  -0.382
  452   2HB   SER  69          3HB       SER  69  -1.629  -1.485  -1.485
  453    HG   SER  69           HG       SER  69   0.419  -2.908  -2.908
  454    H    GLY  70           HN       GLY  70   2.336  -1.765  -1.765
  455   1HA   GLY  70          1HA       GLY  70   4.114  -0.782  -0.782
  456   2HA   GLY  70          2HA       GLY  70   4.464  -2.015  -2.015
  457    H    GLY  71           HN       GLY  71   6.494  -0.832  -0.832
  458   1HA   GLY  71          1HA       GLY  71   6.059   1.258   1.258
  459   2HA   GLY  71          2HA       GLY  71   7.086   1.626   1.626
  460    H    SER  72           HN       SER  72   6.861  -1.679  -1.679
  461    HA   SER  72           HA       SER  72   9.285  -1.275  -1.275
  462   1HB   SER  72          2HB       SER  72  10.545  -2.997  -2.997
  463   2HB   SER  72          3HB       SER  72   9.997  -1.850  -1.850
  464    HG   SER  72           HG       SER  72   9.714  -4.292  -4.292
  465    HA   PRO  73           HA       PRO  73   6.191  -4.365  -4.365
  466   1HB   PRO  73          2HB       PRO  73   5.004  -2.936  -2.936
  467   2HB   PRO  73          3HB       PRO  73   4.311  -3.099  -3.099
  468   1HG   PRO  73          2HG       PRO  73   5.676  -0.768  -0.768
  469   2HG   PRO  73          3HG       PRO  73   4.622  -0.823  -0.823
  470   1HD   PRO  73          2HD       PRO  73   7.482  -0.609  -0.609
  471   2HD   PRO  73          3HD       PRO  73   6.436  -0.781  -0.781
  472    H    GLY  74           HN       GLY  74   8.039  -2.038  -2.038
  473   1HA   GLY  74          1HA       GLY  74   8.775  -2.537  -2.537
  474   2HA   GLY  74          2HA       GLY  74   9.990  -3.112  -3.112
  475    H    ALA  75           HN       ALA  75   7.606  -3.998  -3.998
  476    HA   ALA  75           HA       ALA  75   8.606  -6.301  -6.301
  477   1HB   ALA  75          2HB       ALA  75   7.237  -6.713  -6.713
  478   2HB   ALA  75          3HB       ALA  75   7.064  -7.968  -7.968
  479   3HB   ALA  75          1HB       ALA  75   8.681  -7.508  -7.508
  480    H    ASP  76           HN       ASP  76   5.333  -5.844  -5.844
  481    HA   ASP  76           HA       ASP  76   4.289  -5.943  -5.943
  482   1HB   ASP  76          2HB       ASP  76   2.890  -6.623  -6.623
  483   2HB   ASP  76          3HB       ASP  76   2.174  -6.763  -6.763
  484    H    ARG  77           HN       ARG  77   3.035  -4.153  -4.153
  485    HA   ARG  77           HA       ARG  77   1.920  -2.456  -2.456
  486   1HB   ARG  77          2HB       ARG  77   3.978  -1.437  -1.437
  487   2HB   ARG  77          3HB       ARG  77   2.959  -0.385  -0.385
  488   1HG   ARG  77          2HG       ARG  77   4.319  -2.409  -2.409
  489   2HG   ARG  77          3HG       ARG  77   5.460  -1.428  -1.428
  490   1HD   ARG  77          2HD       ARG  77   3.637   0.478   0.478
  491   2HD   ARG  77          3HD       ARG  77   3.687  -0.663  -0.663
  492    HE   ARG  77           HE       ARG  77   5.746   1.196   1.196
  493   1HH1  ARG  77           HH2      ARG  77   5.400  -2.189  -2.189
  494   2HH1  ARG  77           HH2      ARG  77   6.967  -2.288  -2.288
  495   1HH2  ARG  77           HH1      ARG  77   7.813   1.066   1.066
  496   2HH2  ARG  77           HH1      ARG  77   8.348  -0.423  -0.423
  497    H    VAL  78           HN       VAL  78   0.090  -1.288  -1.288
  498    HA   VAL  78           HA       VAL  78  -0.542  -1.850  -1.850
  499    HB   VAL  78           HB       VAL  78  -2.937  -1.545  -1.545
  500   1HG1  VAL  78          1HG1      VAL  78  -1.218  -3.943  -3.943
  501   2HG1  VAL  78          2HG1      VAL  78  -2.994  -3.941  -3.941
  502   3HG1  VAL  78          3HG1      VAL  78  -2.208  -3.685  -3.685
  503   1HG2  VAL  78          2HG2      VAL  78  -2.065  -0.646  -0.646
  504   2HG2  VAL  78          3HG2      VAL  78  -3.394  -1.829  -1.829
  505   3HG2  VAL  78          1HG2      VAL  78  -1.730  -2.345  -2.345
  506    H    VAL  79           HN       VAL  79  -0.644  -0.111  -0.111
  507    HA   VAL  79           HA       VAL  79  -0.656   2.512   2.512
  508    HB   VAL  79           HB       VAL  79   0.020   1.563   1.563
  509   1HG1  VAL  79          3HG1      VAL  79  -0.989   4.039   4.039
  510   2HG1  VAL  79          1HG1      VAL  79   0.758   4.316   4.316
  511   3HG1  VAL  79          2HG1      VAL  79   0.131   3.682   3.682
  512   1HG2  VAL  79          2HG2      VAL  79   1.558   2.001   2.001
  513   2HG2  VAL  79          3HG2      VAL  79   1.965   1.064   1.064
  514   3HG2  VAL  79          1HG2      VAL  79   2.236   2.823   2.823
  515    H    PHE  80           HN       PHE  80  -2.327   3.966   3.966
  516    HA   PHE  80           HA       PHE  80  -4.384   3.384   3.384
  517   1HB   PHE  80          2HB       PHE  80  -6.126   3.418   3.418
  518   2HB   PHE  80          3HB       PHE  80  -4.953   2.178   2.178
  519    HD1  PHE  80           HD2      PHE  80  -2.984   2.979   2.979
  520    HD2  PHE  80           HD1      PHE  80  -6.735   4.935   4.935
  521    HE1  PHE  80           HE2      PHE  80  -2.631   4.036   4.036
  522    HE2  PHE  80           HE1      PHE  80  -6.382   5.993   5.993
  523    HZ   PHE  80           HZ       PHE  80  -4.334   5.531   5.531
  524    H    ASN  81           HN       ASN  81  -6.301   5.234   5.234
  525    HA   ASN  81           HA       ASN  81  -4.759   7.689   7.689
  526   1HB   ASN  81          2HB       ASN  81  -7.345   7.756   7.756
  527   2HB   ASN  81          3HB       ASN  81  -5.878   8.678   8.678
  528   1HD2  ASN  81          2HD2      ASN  81  -6.326   4.859   4.859
  529   2HD2  ASN  81          1HD2      ASN  81  -7.236   5.409   5.409
  530    H    GLU  82           HN       GLU  82  -6.876   9.522   9.522
  531    HA   GLU  82           HA       GLU  82  -8.023   8.740   8.740
  532   1HB   GLU  82          2HB       GLU  82  -7.246  10.931  10.931
  533   2HB   GLU  82          3HB       GLU  82  -7.667  11.309  11.309
  534   1HG   GLU  82          2HG       GLU  82 -10.016  11.517  11.517
  535   2HG   GLU  82          3HG       GLU  82  -9.798  10.780  10.780
  536    H    ASN  83           HN       ASN  83  -8.852   7.828   7.828
  537    HA   ASN  83           HA       ASN  83 -11.635   8.620   8.620
  538   1HB   ASN  83          2HB       ASN  83 -11.341   7.012   7.012
  539   2HB   ASN  83          3HB       ASN  83 -11.348   8.764   8.764
  540   1HD2  ASN  83          2HD2      ASN  83  -7.936   6.595   6.595
  541   2HD2  ASN  83          1HD2      ASN  83  -9.459   5.881   5.881
  542    H    ASN  84           HN       ASN  84  -9.347   5.982   5.982
  543    HA   ASN  84           HA       ASN  84  -9.911   4.200   4.200
  544   1HB   ASN  84          2HB       ASN  84 -12.088   3.265   3.265
  545   2HB   ASN  84          3HB       ASN  84 -12.432   4.961   4.961
  546   1HD2  ASN  84          2HD2      ASN  84 -12.675   3.992   3.992
  547   2HD2  ASN  84          1HD2      ASN  84 -11.402   4.723   4.723
  548    H    GLN  85           HN       GLN  85  -8.845   4.767   4.767
  549    HA   GLN  85           HA       GLN  85  -9.423   2.192   2.192
  550   1HB   GLN  85          2HB       GLN  85  -8.234   4.748   4.748
  551   2HB   GLN  85          3HB       GLN  85  -8.363   3.247   3.247
  552   1HG   GLN  85          2HG       GLN  85 -10.807   3.255   3.255
  553   2HG   GLN  85          3HG       GLN  85 -10.756   4.628   4.628
  554   1HE2  GLN  85          2HE2      GLN  85  -9.747   6.999   6.999
  555   2HE2  GLN  85          1HE2      GLN  85  -9.350   6.507   6.507
  556    H    LEU  86           HN       LEU  86  -7.808   0.651   0.651
  557    HA   LEU  86           HA       LEU  86  -5.343   1.186   1.186
  558   1HB   LEU  86          2HB       LEU  86  -5.319  -0.989  -0.989
  559   2HB   LEU  86          3HB       LEU  86  -6.977  -0.976  -0.976
  560    HG   LEU  86           HG       LEU  86  -4.535  -1.666  -1.666
  561   1HD1  LEU  86          1HD1      LEU  86  -6.492  -3.282  -3.282
  562   2HD1  LEU  86          2HD1      LEU  86  -5.990  -3.905  -3.905
  563   3HD1  LEU  86          3HD1      LEU  86  -4.769  -3.569  -3.569
  564   1HD2  LEU  86          3HD2      LEU  86  -7.018  -0.685  -0.685
  565   2HD2  LEU  86          1HD2      LEU  86  -5.740  -1.450  -1.450
  566   3HD2  LEU  86          2HD2      LEU  86  -7.056  -2.439  -2.439
  567    H    ALA  87           HN       ALA  87  -3.368   1.561   1.561
  568    HA   ALA  87           HA       ALA  87  -3.323   2.151   2.151
  569   1HB   ALA  87          2HB       ALA  87  -1.910   2.906   2.906
  570   2HB   ALA  87          3HB       ALA  87  -0.725   2.001   2.001
  571   3HB   ALA  87          1HB       ALA  87  -1.562   3.407   3.407
  572    H    GLY  88           HN       GLY  88  -2.008  -0.427  -0.427
  573   1HA   GLY  88          1HA       GLY  88  -2.148  -2.437  -2.437
  574   2HA   GLY  88          2HA       GLY  88  -0.534  -1.763  -1.763
  575    H    VAL  89           HN       VAL  89   0.713  -3.364  -3.364
  576    HA   VAL  89           HA       VAL  89   0.338  -3.691  -3.691
  577    HB   VAL  89           HB       VAL  89   0.280  -6.001  -6.001
  578   1HG1  VAL  89          3HG1      VAL  89   1.475  -5.950  -5.950
  579   2HG1  VAL  89          1HG1      VAL  89  -0.116  -6.707  -6.707
  580   3HG1  VAL  89          2HG1      VAL  89   1.010  -7.387  -7.387
  581   1HG2  VAL  89          1HG2      VAL  89  -1.755  -4.703  -4.703
  582   2HG2  VAL  89          2HG2      VAL  89  -1.919  -5.309  -5.309
  583   3HG2  VAL  89          3HG2      VAL  89  -1.854  -6.454  -6.454
  584    H    ILE  90           HN       ILE  90   2.282  -2.491  -2.491
  585    HA   ILE  90           HA       ILE  90   4.605  -3.456  -3.456
  586    HB   ILE  90           HB       ILE  90   5.723  -1.562  -1.562
  587   1HG1  ILE  90          2HG1      ILE  90   3.459  -1.556  -1.556
  588   2HG1  ILE  90          3HG1      ILE  90   5.175  -1.334  -1.334
  589   1HG2  ILE  90          1HG2      ILE  90   3.721  -1.407  -1.407
  590   2HG2  ILE  90          2HG2      ILE  90   3.090  -0.299  -0.299
  591   3HG2  ILE  90          3HG2      ILE  90   4.687  -0.003  -0.003
  592   1HD1  ILE  90          2HD1      ILE  90   4.294   0.802   0.802
  593   2HD1  ILE  90          3HD1      ILE  90   3.158   0.683   0.683
  594   3HD1  ILE  90          1HD1      ILE  90   4.897   0.909   0.909
  595    H    THR  91           HN       THR  91   6.678  -3.834  -3.834
  596    HA   THR  91           HA       THR  91   6.376  -4.724  -4.724
  597    HB   THR  91           HB       THR  91   5.285  -6.655  -6.655
  598    HG1  THR  91           HG1      THR  91   7.580  -8.027  -8.027
  599   1HG2  THR  91          1HG2      THR  91   7.632  -6.713  -6.713
  600   2HG2  THR  91          2HG2      THR  91   6.404  -7.992  -7.992
  601   3HG2  THR  91          3HG2      THR  91   5.935  -6.375  -6.375
  602    H    HIS  92           HN       HIS  92   8.464  -5.780  -5.780
  603    HA   HIS  92           HA       HIS  92  10.612  -4.269  -4.269
  604   1HB   HIS  92          2HB       HIS  92  10.289  -5.662  -5.662
  605   2HB   HIS  92          3HB       HIS  92  11.835  -5.042  -5.042
  606    HD1  HIS  92           HD1      HIS  92  12.267  -2.913  -2.913
  607    HD2  HIS  92           HD2      HIS  92   8.269  -3.234  -3.234
  608    HE1  HIS  92           HE1      HIS  92  11.133  -0.730  -0.730
  609    HE2  HIS  92           HE2      HIS  92   8.693  -0.964  -0.964
  610    H    THR  93           HN       THR  93   9.363  -7.539  -7.539
  611    HA   THR  93           HA       THR  93  11.694  -9.009  -9.009
  612    HB   THR  93           HB       THR  93   8.738  -9.352  -9.352
  613    HG1  THR  93           HG1      THR  93  10.258  -9.757  -9.757
  614   1HG2  THR  93          2HG2      THR  93  10.915 -11.056 -11.056
  615   2HG2  THR  93          3HG2      THR  93   9.443 -11.829 -11.829
  616   3HG2  THR  93          1HG2      THR  93   9.322 -10.617 -10.617
  617    H    GLY  94           HN       GLY  94  10.184  -6.768  -6.768
  618   1HA   GLY  94          1HA       GLY  94  11.786  -7.874  -7.874
  619   2HA   GLY  94          2HA       GLY  94  10.240  -7.074  -7.074
  620    H    ALA  95           HN       ALA  95  12.677  -6.017  -6.017
  621    HA   ALA  95           HA       ALA  95  13.346  -3.762  -3.762
  622   1HB   ALA  95          3HB       ALA  95  11.874  -3.748  -3.748
  623   2HB   ALA  95          1HB       ALA  95  13.285  -2.662  -2.662
  624   3HB   ALA  95          2HB       ALA  95  12.013  -2.484  -2.484
  625    H    SER  96           HN       SER  96  15.511  -3.257  -3.257
  626    HA   SER  96           HA       SER  96  17.172  -5.020  -5.020
  627   1HB   SER  96          2HB       SER  96  17.750  -4.707  -4.707
  628   2HB   SER  96          3HB       SER  96  17.745  -2.962  -2.962
  629    HG   SER  96           HG       SER  96  19.851  -3.218  -3.218
  630    H    GLY  97           HN       GLY  97  15.601  -2.955  -2.955
  631   1HA   GLY  97          1HA       GLY  97  17.531  -2.009  -2.009
  632   2HA   GLY  97          2HA       GLY  97  17.194  -0.715  -0.715
  633    H    ASN  98           HN       ASN  98  15.871   0.722   0.722
  634    HA   ASN  98           HA       ASN  98  13.811  -0.364  -0.364
  635   1HB   ASN  98          2HB       ASN  98  15.125   1.526   1.526
  636   2HB   ASN  98          3HB       ASN  98  14.784   2.489   2.489
  637   1HD2  ASN  98          2HD2      ASN  98  11.313   1.580   1.580
  638   2HD2  ASN  98          1HD2      ASN  98  12.353   0.380   0.380
  639    H    ASN  99           HN       ASN  99  14.256   0.391   0.391
  640    HA   ASN  99           HA       ASN  99  12.041   1.941   1.941
  641   1HB   ASN  99          2HB       ASN  99  12.481   1.359   1.359
  642   2HB   ASN  99          3HB       ASN  99  14.050   1.312   1.312
  643   1HD2  ASN  99          2HD2      ASN  99  14.453  -2.212  -2.212
  644   2HD2  ASN  99          1HD2      ASN  99  14.837  -0.762  -0.762
  645    H    PHE 100           HN       PHE 100  10.229   0.896   0.896
  646    HA   PHE 100           HA       PHE 100   9.346  -1.623  -1.623
  647   1HB   PHE 100          2HB       PHE 100   7.967   1.022   1.022
  648   2HB   PHE 100          3HB       PHE 100   7.010  -0.446  -0.446
  649    HD1  PHE 100           HD2      PHE 100   7.441  -1.953  -1.953
  650    HD2  PHE 100           HD1      PHE 100   7.995   2.247   2.247
  651    HE1  PHE 100           HE2      PHE 100   7.165  -1.762  -1.762
  652    HE2  PHE 100           HE1      PHE 100   7.719   2.437   2.437
  653    HZ   PHE 100           HZ       PHE 100   7.307   0.430   0.430
  654    H    VAL 101           HN       VAL 101   7.618  -2.746  -2.746
  655    HA   VAL 101           HA       VAL 101   7.626  -2.095  -2.095
  656    HB   VAL 101           HB       VAL 101   8.762  -4.079  -4.079
  657   1HG1  VAL 101          2HG1      VAL 101  10.035  -1.957  -1.957
  658   2HG1  VAL 101          3HG1      VAL 101  10.565  -2.612  -2.612
  659   3HG1  VAL 101          1HG1      VAL 101  11.039  -3.425  -3.425
  660   1HG2  VAL 101          2HG2      VAL 101   8.241  -5.355  -5.355
  661   2HG2  VAL 101          3HG2      VAL 101   9.741  -5.722  -5.722
  662   3HG2  VAL 101          1HG2      VAL 101   9.790  -4.677  -4.677
  663    H    GLU 102           HN       GLU 102   5.798  -2.941  -2.941
  664    HA   GLU 102           HA       GLU 102   3.822  -3.919  -3.919
  665   1HB   GLU 102          2HB       GLU 102   3.042  -4.828  -4.828
  666   2HB   GLU 102          3HB       GLU 102   2.863  -3.169  -3.169
  667   1HG   GLU 102          2HG       GLU 102   4.759  -2.425  -2.425
  668   2HG   GLU 102          3HG       GLU 102   5.479  -4.021  -4.021
  669    H    CYS 103           HN       CYS 103   3.308  -5.910  -5.910
  670    HA   CYS 103           HA       CYS 103   5.106  -7.988  -7.988
  671   1HB   CYS 103          2HB       CYS 103   2.143  -8.140  -8.140
  672   2HB   CYS 103          3HB       CYS 103   3.340  -9.348  -9.348
  673    H    THR 104           HN       THR 104   3.508 -10.323 -10.323
  674    HA   THR 104           HA       THR 104   3.210 -10.032 -10.032
  675    HB   THR 104           HB       THR 104   4.112 -12.296 -12.296
  676    HG1  THR 104           HG1      THR 104   3.060 -13.110 -13.110
  677   1HG2  THR 104          2HG2      THR 104   5.777 -10.359 -10.359
  678   2HG2  THR 104          3HG2      THR 104   5.759 -11.101 -11.101
  679   3HG2  THR 104          1HG2      THR 104   6.323 -12.039 -12.039

  Start of MODEL    7
    1    H    ALA   1           HN       ALA   1  -7.156 -17.585 -17.585
    2    HA   ALA   1           HA       ALA   1  -6.776 -15.726 -15.726
    3   1HB   ALA   1          2HB       ALA   1  -9.023 -16.316 -16.316
    4   2HB   ALA   1          3HB       ALA   1  -8.476 -15.393 -15.393
    5   3HB   ALA   1          1HB       ALA   1  -8.656 -14.580 -14.580
    6    H    CYS   2           HN       CYS   2  -4.474 -15.318 -15.318
    7    HA   CYS   2           HA       CYS   2  -4.044 -13.736 -13.736
    8   1HB   CYS   2          2HB       CYS   2  -1.607 -14.376 -14.376
    9   2HB   CYS   2          3HB       CYS   2  -2.090 -14.736 -14.736
   10    H    ASP   3           HN       ASP   3  -5.421 -12.214 -12.214
   11    HA   ASP   3           HA       ASP   3  -4.592 -11.188 -11.188
   12   1HB   ASP   3          2HB       ASP   3  -5.420  -9.515  -9.515
   13   2HB   ASP   3          3HB       ASP   3  -5.509  -8.982  -8.982
   14    H    TYR   4           HN       TYR   4  -3.032 -10.849 -10.849
   15    HA   TYR   4           HA       TYR   4  -0.805  -9.464  -9.464
   16   1HB   TYR   4          2HB       TYR   4  -2.124  -8.807  -8.807
   17   2HB   TYR   4          3HB       TYR   4  -0.751  -7.954  -7.954
   18    HD1  TYR   4           HD2      TYR   4  -1.083  -6.615  -6.615
   19    HD2  TYR   4           HD1      TYR   4  -4.346  -8.177  -8.177
   20    HE1  TYR   4           HE2      TYR   4  -2.668  -4.981  -4.981
   21    HE2  TYR   4           HE1      TYR   4  -5.919  -6.537  -6.537
   22    HH   TYR   4           HH       TYR   4  -5.937  -5.321  -5.321
   23    H    THR   5           HN       THR   5   0.888 -10.840 -10.840
   24    HA   THR   5           HA       THR   5   1.167 -12.164 -12.164
   25    HB   THR   5           HB       THR   5   1.507 -13.193 -13.193
   26    HG1  THR   5           HG1      THR   5   0.314 -14.955 -14.955
   27   1HG2  THR   5          1HG2      THR   5   3.462 -13.720 -13.720
   28   2HG2  THR   5          2HG2      THR   5   2.246 -14.926 -14.926
   29   3HG2  THR   5          3HG2      THR   5   2.891 -14.932 -14.932
   30    H    CYS   6           HN       CYS   6   2.683 -11.053 -11.053
   31    HA   CYS   6           HA       CYS   6   4.795  -9.771  -9.771
   32   1HB   CYS   6          2HB       CYS   6   3.995  -9.967  -9.967
   33   2HB   CYS   6          3HB       CYS   6   5.587  -9.371  -9.371
   34    H    GLY   7           HN       GLY   7   5.389 -12.014 -12.014
   35   1HA   GLY   7          1HA       GLY   7   7.211 -13.400 -13.400
   36   2HA   GLY   7          2HA       GLY   7   7.615 -13.078 -13.078
   37    H    SER   8           HN       SER   8   5.279 -13.717 -13.717
   38    HA   SER   8           HA       SER   8   4.317 -16.231 -16.231
   39   1HB   SER   8          2HB       SER   8   5.373 -17.681 -17.681
   40   2HB   SER   8          3HB       SER   8   6.671 -16.530 -16.530
   41    HG   SER   8           HG       SER   8   5.511 -15.405 -15.405
   42    H    ASN   9           HN       ASN   9   2.859 -13.968 -13.968
   43    HA   ASN   9           HA       ASN   9   1.635 -14.428 -14.428
   44   1HB   ASN   9          2HB       ASN   9   1.620 -11.815 -11.815
   45   2HB   ASN   9          3HB       ASN   9   0.975 -12.042 -12.042
   46   1HD2  ASN   9          2HD2      ASN   9   5.085 -12.113 -12.113
   47   2HD2  ASN   9          1HD2      ASN   9   3.977 -12.667 -12.667
   48    H    CYS  10           HN       CYS  10  -0.710 -12.833 -12.833
   49    HA   CYS  10           HA       CYS  10  -1.848 -13.334 -13.334
   50   1HB   CYS  10          2HB       CYS  10  -1.803 -15.670 -15.670
   51   2HB   CYS  10          3HB       CYS  10  -2.766 -15.206 -15.206
   52    H    TYR  11           HN       TYR  11  -2.089 -10.998 -10.998
   53    HA   TYR  11           HA       TYR  11  -3.949 -10.474 -10.474
   54   1HB   TYR  11          2HB       TYR  11  -2.730  -8.558  -8.558
   55   2HB   TYR  11          3HB       TYR  11  -3.210  -8.174  -8.174
   56    HD1  TYR  11           HD1      TYR  11  -1.863  -9.335  -9.335
   57    HD2  TYR  11           HD2      TYR  11  -0.487  -9.033  -9.033
   58    HE1  TYR  11           HE1      TYR  11   0.529  -9.704  -9.704
   59    HE2  TYR  11           HE2      TYR  11   1.901  -9.402  -9.402
   60    HH   TYR  11           HH       TYR  11   3.163  -9.016  -9.016
   61    H    SER  12           HN       SER  12  -5.316 -11.988 -11.988
   62    HA   SER  12           HA       SER  12  -6.386 -11.209 -11.209
   63   1HB   SER  12          2HB       SER  12  -7.277 -12.777 -12.777
   64   2HB   SER  12          3HB       SER  12  -8.601 -11.661 -11.661
   65    HG   SER  12           HG       SER  12  -8.278 -12.291 -12.291
   66    H    SER  13           HN       SER  13  -8.191  -9.834  -9.834
   67    HA   SER  13           HA       SER  13  -7.981  -7.264  -7.264
   68   1HB   SER  13          2HB       SER  13 -10.424  -7.051  -7.051
   69   2HB   SER  13          3HB       SER  13  -9.364  -7.941  -7.941
   70    HG   SER  13           HG       SER  13 -10.211  -9.873  -9.873
   71    H    SER  14           HN       SER  14  -9.433  -9.676  -9.676
   72    HA   SER  14           HA       SER  14 -10.939  -7.788  -7.788
   73   1HB   SER  14          2HB       SER  14 -11.622 -10.176 -10.176
   74   2HB   SER  14          3HB       SER  14 -10.169 -10.677 -10.677
   75    HG   SER  14           HG       SER  14 -11.018 -10.103 -10.103
   76    H    ASP  15           HN       ASP  15  -7.667  -9.104  -9.104
   77    HA   ASP  15           HA       ASP  15  -7.141  -8.426  -8.426
   78   1HB   ASP  15          2HB       ASP  15  -5.680  -9.614  -9.614
   79   2HB   ASP  15          3HB       ASP  15  -4.668  -8.679  -8.679
   80    H    VAL  16           HN       VAL  16  -7.145  -6.881  -6.881
   81    HA   VAL  16           HA       VAL  16  -5.192  -4.892  -4.892
   82    HB   VAL  16           HB       VAL  16  -7.242  -5.355  -5.355
   83   1HG1  VAL  16          1HG1      VAL  16  -6.090  -2.786  -2.786
   84   2HG1  VAL  16          2HG1      VAL  16  -5.688  -3.229  -3.229
   85   3HG1  VAL  16          3HG1      VAL  16  -7.389  -3.154  -3.154
   86   1HG2  VAL  16          2HG2      VAL  16  -4.318  -5.682  -5.682
   87   2HG2  VAL  16          3HG2      VAL  16  -5.467  -6.586  -6.586
   88   3HG2  VAL  16          1HG2      VAL  16  -4.836  -5.017  -5.017
   89    H    SER  17           HN       SER  17  -8.742  -4.515  -4.515
   90    HA   SER  17           HA       SER  17  -9.075  -2.060  -2.060
   91   1HB   SER  17          2HB       SER  17 -10.852  -3.539  -3.539
   92   2HB   SER  17          3HB       SER  17 -10.972  -4.383  -4.383
   93    HG   SER  17           HG       SER  17 -12.498  -2.891  -2.891
   94    H    THR  18           HN       THR  18  -9.264  -5.063  -5.063
   95    HA   THR  18           HA       THR  18  -9.798  -3.926  -3.926
   96    HB   THR  18           HB       THR  18  -8.321  -6.363  -6.363
   97    HG1  THR  18           HG1      THR  18 -10.139  -7.154  -7.154
   98   1HG2  THR  18          3HG2      THR  18  -8.013  -5.150  -5.150
   99   2HG2  THR  18          1HG2      THR  18  -8.601  -6.829  -6.829
  100   3HG2  THR  18          2HG2      THR  18  -7.054  -6.431  -6.431
  101    H    ALA  19           HN       ALA  19  -6.544  -4.318  -4.318
  102    HA   ALA  19           HA       ALA  19  -5.140  -3.195  -3.195
  103   1HB   ALA  19          3HB       ALA  19  -4.473  -4.492  -4.492
  104   2HB   ALA  19          1HB       ALA  19  -4.163  -2.824  -2.824
  105   3HB   ALA  19          2HB       ALA  19  -3.320  -3.469  -3.469
  106    H    GLN  20           HN       GLN  20  -6.624  -1.764  -1.764
  107    HA   GLN  20           HA       GLN  20  -5.634   0.787   0.787
  108   1HB   GLN  20          2HB       GLN  20  -8.311   0.203   0.203
  109   2HB   GLN  20          3HB       GLN  20  -7.172   1.477   1.477
  110   1HG   GLN  20          2HG       GLN  20  -5.582  -0.105  -0.105
  111   2HG   GLN  20          3HG       GLN  20  -6.471  -1.475  -1.475
  112   1HE2  GLN  20          2HE2      GLN  20  -8.094   0.706   0.706
  113   2HE2  GLN  20          1HE2      GLN  20  -7.165   1.467   1.467
  114    H    ALA  21           HN       ALA  21  -8.920  -0.588  -0.588
  115    HA   ALA  21           HA       ALA  21 -10.213   1.417   1.417
  116   1HB   ALA  21          3HB       ALA  21  -9.892  -1.457  -1.457
  117   2HB   ALA  21          1HB       ALA  21 -10.798  -0.392  -0.392
  118   3HB   ALA  21          2HB       ALA  21 -11.331  -0.588  -0.588
  119    H    ALA  22           HN       ALA  22  -7.392  -0.231  -0.231
  120    HA   ALA  22           HA       ALA  22  -7.556   1.279   1.279
  121   1HB   ALA  22          2HB       ALA  22  -6.406  -1.030  -1.030
  122   2HB   ALA  22          3HB       ALA  22  -5.020   0.008   0.008
  123   3HB   ALA  22          1HB       ALA  22  -5.698   0.040   0.040
  124    H    GLY  23           HN       GLY  23  -5.316   1.375   1.375
  125   1HA   GLY  23          1HA       GLY  23  -3.856   3.601   3.601
  126   2HA   GLY  23          2HA       GLY  23  -4.184   3.083   3.083
  127    H    TYR  24           HN       TYR  24  -7.030   3.391   3.391
  128    HA   TYR  24           HA       TYR  24  -7.191   6.152   6.152
  129   1HB   TYR  24          2HB       TYR  24  -8.475   3.835   3.835
  130   2HB   TYR  24          3HB       TYR  24  -9.593   4.360   4.360
  131    HD1  TYR  24           HD2      TYR  24  -7.826   5.741   5.741
  132    HD2  TYR  24           HD1      TYR  24 -11.375   5.715   5.715
  133    HE1  TYR  24           HE2      TYR  24  -8.969   7.283   7.283
  134    HE2  TYR  24           HE1      TYR  24 -12.506   7.257   7.257
  135    HH   TYR  24           HH       TYR  24 -12.320   7.837   7.837
  136    H    LYS  25           HN       LYS  25  -9.247   4.202   4.202
  137    HA   LYS  25           HA       LYS  25 -10.397   6.243   6.243
  138   1HB   LYS  25          2HB       LYS  25 -11.220   4.186   4.186
  139   2HB   LYS  25          3HB       LYS  25  -9.636   3.452   3.452
  140   1HG   LYS  25          2HG       LYS  25 -10.415   5.638   5.638
  141   2HG   LYS  25          3HG       LYS  25 -11.050   4.022   4.022
  142   1HD   LYS  25          2HD       LYS  25  -8.297   3.628   3.628
  143   2HD   LYS  25          3HD       LYS  25  -8.344   5.042   5.042
  144   1HE   LYS  25          2HE       LYS  25  -9.529   3.857   3.857
  145   2HE   LYS  25          3HE       LYS  25  -9.911   2.518   2.518
  146   1HZ   LYS  25          3HZ       LYS  25  -7.135   2.940   2.940
  147   2HZ   LYS  25          1HZ       LYS  25  -7.722   2.754   2.754
  148   3HZ   LYS  25          2HZ       LYS  25  -7.984   1.600   1.600
  149    H    LEU  26           HN       LEU  26  -7.227   4.701   4.701
  150    HA   LEU  26           HA       LEU  26  -6.696   6.469   6.469
  151   1HB   LEU  26          2HB       LEU  26  -5.597   4.367   4.367
  152   2HB   LEU  26          3HB       LEU  26  -4.950   4.716   4.716
  153    HG   LEU  26           HG       LEU  26  -3.546   6.519   6.519
  154   1HD1  LEU  26          1HD1      LEU  26  -5.137   6.737   6.737
  155   2HD1  LEU  26          2HD1      LEU  26  -4.193   5.394   5.394
  156   3HD1  LEU  26          3HD1      LEU  26  -3.386   6.921   6.921
  157   1HD2  LEU  26          1HD2      LEU  26  -2.845   4.077   4.077
  158   2HD2  LEU  26          2HD2      LEU  26  -1.848   5.080   5.080
  159   3HD2  LEU  26          3HD2      LEU  26  -2.998   3.909   3.909
  160    H    HIS  27           HN       HIS  27  -6.256   6.678   6.678
  161    HA   HIS  27           HA       HIS  27  -4.495   8.877   8.877
  162   1HB   HIS  27          2HB       HIS  27  -4.494   7.554   7.554
  163   2HB   HIS  27          3HB       HIS  27  -6.235   7.643   7.643
  164    HD1  HIS  27           HD1      HIS  27  -3.441  10.287  10.287
  165    HD2  HIS  27           HD2      HIS  27  -6.845   9.297   9.297
  166    HE1  HIS  27           HE1      HIS  27  -3.647  12.071  12.071
  167    HE2  HIS  27           HE2      HIS  27  -5.724  11.379  11.379
  168    H    GLU  28           HN       GLU  28  -8.072   8.555   8.555
  169    HA   GLU  28           HA       GLU  28  -8.564  11.231  11.231
  170   1HB   GLU  28          2HB       GLU  28 -10.750   9.997   9.997
  171   2HB   GLU  28          3HB       GLU  28 -10.664  10.443  10.443
  172   1HG   GLU  28          2HG       GLU  28  -9.492   8.300   8.300
  173   2HG   GLU  28          3HG       GLU  28  -9.539   7.857   7.857
  174    H    ASP  29           HN       ASP  29  -7.738   9.403   9.403
  175    HA   ASP  29           HA       ASP  29  -8.783  11.396  11.396
  176   1HB   ASP  29          2HB       ASP  29  -7.068   8.907   8.907
  177   2HB   ASP  29          3HB       ASP  29  -7.446   9.980   9.980
  178    H    GLY  30           HN       GLY  30  -5.887  10.731  10.731
  179   1HA   GLY  30          1HA       GLY  30  -3.999  11.945  11.945
  180   2HA   GLY  30          2HA       GLY  30  -4.607  13.125  13.125
  181    H    GLU  31           HN       GLU  31  -4.519   9.716   9.716
  182    HA   GLU  31           HA       GLU  31  -2.445  10.429  10.429
  183   1HB   GLU  31          2HB       GLU  31  -4.618   8.329   8.329
  184   2HB   GLU  31          3HB       GLU  31  -3.220   8.073   8.073
  185   1HG   GLU  31          2HG       GLU  31  -4.873  10.637  10.637
  186   2HG   GLU  31          3HG       GLU  31  -5.219   9.257   9.257
  187    H    THR  32           HN       THR  32  -1.062   8.281   8.281
  188    HA   THR  32           HA       THR  32  -0.238   7.002   7.002
  189    HB   THR  32           HB       THR  32   2.120   7.386   7.386
  190    HG1  THR  32           HG1      THR  32   1.504   7.404   7.404
  191   1HG2  THR  32          3HG2      THR  32   0.485   9.965   9.965
  192   2HG2  THR  32          1HG2      THR  32   2.225   9.865   9.865
  193   3HG2  THR  32          2HG2      THR  32   1.036   9.264   9.264
  194    H    VAL  33           HN       VAL  33   1.523   5.191   5.191
  195    HA   VAL  33           HA       VAL  33   0.456   3.825   3.825
  196    HB   VAL  33           HB       VAL  33   0.145   1.791   1.791
  197   1HG1  VAL  33          2HG1      VAL  33  -1.352   4.118   4.118
  198   2HG1  VAL  33          3HG1      VAL  33  -1.203   3.238   3.238
  199   3HG1  VAL  33          1HG1      VAL  33  -1.884   2.423   2.423
  200   1HG2  VAL  33          1HG2      VAL  33   2.061   1.946   1.946
  201   2HG2  VAL  33          2HG2      VAL  33   0.569   1.519   1.519
  202   3HG2  VAL  33          3HG2      VAL  33   1.202   3.180   3.180
  203    H    GLY  34           HN       GLY  34   2.057   3.009   3.009
  204   1HA   GLY  34          1HA       GLY  34   4.078   2.149   2.149
  205   2HA   GLY  34          2HA       GLY  34   4.542   2.098   2.098
  206    H    SER  35           HN       SER  35   6.611   3.031   3.031
  207    HA   SER  35           HA       SER  35   6.685   5.638   5.638
  208   1HB   SER  35          2HB       SER  35   9.207   5.347   5.347
  209   2HB   SER  35          3HB       SER  35   8.441   4.211   4.211
  210    HG   SER  35           HG       SER  35   8.900   2.574   2.574
  211    H    ASN  36           HN       ASN  36   6.369   4.152   4.152
  212    HA   ASN  36           HA       ASN  36   7.831   6.061   6.061
  213   1HB   ASN  36          2HB       ASN  36   6.108   3.705   3.705
  214   2HB   ASN  36          3HB       ASN  36   5.909   4.961   4.961
  215   1HD2  ASN  36          2HD2      ASN  36   8.557   3.011   3.011
  216   2HD2  ASN  36          1HD2      ASN  36   6.838   3.065   3.065
  217    H    SER  37           HN       SER  37   5.952   6.729   6.729
  218    HA   SER  37           HA       SER  37   3.974   8.274   8.274
  219   1HB   SER  37          2HB       SER  37   4.460  10.227  10.227
  220   2HB   SER  37          3HB       SER  37   6.056   9.536   9.536
  221    HG   SER  37           HG       SER  37   4.387   9.289   9.289
  222    H    TYR  38           HN       TYR  38   3.408   5.722   5.722
  223    HA   TYR  38           HA       TYR  38   2.173   6.153   6.153
  224   1HB   TYR  38          2HB       TYR  38   2.610   3.785   3.785
  225   2HB   TYR  38          3HB       TYR  38   1.758   3.608   3.608
  226    HD1  TYR  38           HD2      TYR  38   4.815   5.655   5.655
  227    HD2  TYR  38           HD1      TYR  38   3.179   2.152   2.152
  228    HE1  TYR  38           HE2      TYR  38   7.021   5.240   5.240
  229    HE2  TYR  38           HE1      TYR  38   5.390   1.750   1.750
  230    HH   TYR  38           HH       TYR  38   7.501   3.789   3.789
  231    HA   PRO  39           HA       PRO  39   0.759   5.272   5.272
  232   1HB   PRO  39          2HB       PRO  39  -1.359   6.332   6.332
  233   2HB   PRO  39          3HB       PRO  39  -1.285   4.655   4.655
  234   1HG   PRO  39          2HG       PRO  39  -2.867   6.868   6.868
  235   2HG   PRO  39          3HG       PRO  39  -3.088   5.141   5.141
  236   1HD   PRO  39          2HD       PRO  39  -1.934   6.951   6.951
  237   2HD   PRO  39          3HD       PRO  39  -2.050   5.208   5.208
  238    H    HIS  40           HN       HIS  40   0.664   6.828   6.828
  239    HA   HIS  40           HA       HIS  40   0.752   9.535   9.535
  240   1HB   HIS  40          2HB       HIS  40   3.085  10.062  10.062
  241   2HB   HIS  40          3HB       HIS  40   2.617   9.014   9.014
  242    HD1  HIS  40           HD1      HIS  40   4.609   8.996   8.996
  243    HD2  HIS  40           HD2      HIS  40   3.943   6.556   6.556
  244    HE1  HIS  40           HE1      HIS  40   6.337   7.123   7.123
  245    HE2  HIS  40           HE2      HIS  40   5.915   5.687   5.687
  246    H    LYS  41           HN       LYS  41   1.517  10.727  10.727
  247    HA   LYS  41           HA       LYS  41   0.764   9.677   9.677
  248   1HB   LYS  41          2HB       LYS  41   1.401  12.066  12.066
  249   2HB   LYS  41          3HB       LYS  41   3.071  11.620  11.620
  250   1HG   LYS  41          2HG       LYS  41   2.785  11.459  11.459
  251   2HG   LYS  41          3HG       LYS  41   1.177  10.777  10.777
  252   1HD   LYS  41          2HD       LYS  41   0.863  12.954  12.954
  253   2HD   LYS  41          3HD       LYS  41   0.361  13.102  13.102
  254   1HE   LYS  41          2HE       LYS  41   2.174  14.433  14.433
  255   2HE   LYS  41          3HE       LYS  41   3.259  13.645  13.645
  256   1HZ   LYS  41          1HZ       LYS  41   1.078  15.423  15.423
  257   2HZ   LYS  41          2HZ       LYS  41   2.620  15.916  15.916
  258   3HZ   LYS  41          3HZ       LYS  41   2.266  14.818  14.818
  259    H    TYR  42           HN       TYR  42   2.016   8.989   8.989
  260    HA   TYR  42           HA       TYR  42   4.581   7.774   7.774
  261   1HB   TYR  42          2HB       TYR  42   3.128   5.980   5.980
  262   2HB   TYR  42          3HB       TYR  42   1.912   6.336   6.336
  263    HD1  TYR  42           HD1      TYR  42   2.723   6.001   6.001
  264    HD2  TYR  42           HD2      TYR  42   4.512   4.139   4.139
  265    HE1  TYR  42           HE1      TYR  42   3.683   4.178   4.178
  266    HE2  TYR  42           HE2      TYR  42   5.467   2.322   2.322
  267    HH   TYR  42           HH       TYR  42   4.424   1.897   1.897
  268    H    ASN  43           HN       ASN  43   1.863   8.678   8.678
  269    HA   ASN  43           HA       ASN  43   1.679   8.991   8.991
  270   1HB   ASN  43          2HB       ASN  43   4.472   9.898   9.898
  271   2HB   ASN  43          3HB       ASN  43   4.112   9.708   9.708
  272   1HD2  ASN  43          2HD2      ASN  43   1.414  12.131  12.131
  273   2HD2  ASN  43          1HD2      ASN  43   1.769  10.518  10.518
  274    H    ASN  44           HN       ASN  44   5.085   8.252   8.252
  275    HA   ASN  44           HA       ASN  44   5.341   5.671   5.671
  276   1HB   ASN  44          2HB       ASN  44   4.349   4.765   4.765
  277   2HB   ASN  44          3HB       ASN  44   3.064   5.681   5.681
  278   1HD2  ASN  44          2HD2      ASN  44   4.645   6.720   6.720
  279   2HD2  ASN  44          1HD2      ASN  44   5.270   5.438   5.438
  280    H    TYR  45           HN       TYR  45   6.733   4.978   4.978
  281    HA   TYR  45           HA       TYR  45   7.745   6.857   6.857
  282   1HB   TYR  45          2HB       TYR  45   8.822   6.821   6.821
  283   2HB   TYR  45          3HB       TYR  45  10.063   6.767   6.767
  284    HD1  TYR  45           HD1      TYR  45   7.309   8.487   8.487
  285    HD2  TYR  45           HD2      TYR  45  10.551   8.994   8.994
  286    HE1  TYR  45           HE1      TYR  45   7.153  11.009  11.009
  287    HE2  TYR  45           HE2      TYR  45  10.384  11.515  11.515
  288    HH   TYR  45           HH       TYR  45   8.827  12.953  12.953
  289    H    GLU  46           HN       GLU  46   8.749   4.214   4.214
  290    HA   GLU  46           HA       GLU  46  10.741   3.125   3.125
  291   1HB   GLU  46          2HB       GLU  46   8.534   1.716   1.716
  292   2HB   GLU  46          3HB       GLU  46   9.984   0.905   0.905
  293   1HG   GLU  46          2HG       GLU  46  10.716   1.536   1.536
  294   2HG   GLU  46          3HG       GLU  46  11.204   2.963   2.963
  295    H    GLY  47           HN       GLY  47   7.432   3.433   3.433
  296   1HA   GLY  47          1HA       GLY  47   7.010   3.109   3.109
  297   2HA   GLY  47          2HA       GLY  47   7.951   1.632   1.632
  298    H    PHE  48           HN       PHE  48   5.258   3.059   3.059
  299    HA   PHE  48           HA       PHE  48   4.017   0.418   0.418
  300   1HB   PHE  48          2HB       PHE  48   3.650   3.026   3.026
  301   2HB   PHE  48          3HB       PHE  48   2.597   1.643   1.643
  302    HD1  PHE  48           HD2      PHE  48   3.595  -0.515  -0.515
  303    HD2  PHE  48           HD1      PHE  48   5.756   3.137   3.137
  304    HE1  PHE  48           HE2      PHE  48   5.200  -1.462  -1.462
  305    HE2  PHE  48           HE1      PHE  48   7.360   2.191   2.191
  306    HZ   PHE  48           HZ       PHE  48   7.063  -0.098  -0.098
  307    H    ASP  49           HN       ASP  49   2.092   0.005   0.005
  308    HA   ASP  49           HA       ASP  49   1.069   2.176   2.176
  309   1HB   ASP  49          2HB       ASP  49  -0.138  -0.584  -0.584
  310   2HB   ASP  49          3HB       ASP  49   0.104   0.526   0.526
  311    H    PHE  50           HN       PHE  50   0.369   3.017   3.017
  312    HA   PHE  50           HA       PHE  50  -1.749   1.726   1.726
  313   1HB   PHE  50          2HB       PHE  50  -0.715   4.612   4.612
  314   2HB   PHE  50          3HB       PHE  50  -1.996   4.172   4.172
  315    HD1  PHE  50           HD1      PHE  50  -0.026   1.359   1.359
  316    HD2  PHE  50           HD2      PHE  50   0.072   5.348   5.348
  317    HE1  PHE  50           HE1      PHE  50   1.686   0.697   0.697
  318    HE2  PHE  50           HE2      PHE  50   1.782   4.685   4.685
  319    HZ   PHE  50           HZ       PHE  50   2.569   2.368   2.368
  320    H    SER  51           HN       SER  51  -3.571   1.201   1.201
  321    HA   SER  51           HA       SER  51  -4.572   2.950   2.950
  322   1HB   SER  51          2HB       SER  51  -6.442   1.342   1.342
  323   2HB   SER  51          3HB       SER  51  -4.900   0.507   0.507
  324    HG   SER  51           HG       SER  51  -5.228  -0.045  -0.045
  325    H    VAL  52           HN       VAL  52  -4.256   3.951   3.951
  326    HA   VAL  52           HA       VAL  52  -7.040   4.828   4.828
  327    HB   VAL  52           HB       VAL  52  -6.690   4.864   4.864
  328   1HG1  VAL  52          2HG1      VAL  52  -7.482   2.764   2.764
  329   2HG1  VAL  52          3HG1      VAL  52  -5.801   2.202   2.202
  330   3HG1  VAL  52          1HG1      VAL  52  -6.502   2.460   2.460
  331   1HG2  VAL  52          3HG2      VAL  52  -3.850   4.335   4.335
  332   2HG2  VAL  52          1HG2      VAL  52  -4.525   5.356   5.356
  333   3HG2  VAL  52          2HG2      VAL  52  -4.458   3.590   3.590
  334    H    SER  53           HN       SER  53  -7.197   7.017   7.017
  335    HA   SER  53           HA       SER  53  -5.305   8.722   8.722
  336   1HB   SER  53          2HB       SER  53  -7.756   9.336   9.336
  337   2HB   SER  53          3HB       SER  53  -6.810  10.550  10.550
  338    HG   SER  53           HG       SER  53  -8.462   8.475   8.475
  339    H    SER  54           HN       SER  54  -4.740  10.848  10.848
  340    HA   SER  54           HA       SER  54  -3.452   9.710   9.710
  341   1HB   SER  54          2HB       SER  54  -1.698  11.174  11.174
  342   2HB   SER  54          3HB       SER  54  -2.268  11.038  11.038
  343    HG   SER  54           HG       SER  54  -2.225  13.210  13.210
  344    HA   PRO  55           HA       PRO  55  -2.072  11.463  11.463
  345   1HB   PRO  55          2HB       PRO  55  -1.613  11.747  11.747
  346   2HB   PRO  55          3HB       PRO  55  -1.501  13.076  13.076
  347   1HG   PRO  55          2HG       PRO  55  -3.633  12.493  12.493
  348   2HG   PRO  55          3HG       PRO  55  -3.285  13.997  13.997
  349   1HD   PRO  55          2HD       PRO  55  -5.397  12.153  12.153
  350   2HD   PRO  55          3HD       PRO  55  -4.977  13.598  13.598
  351    H    TYR  56           HN       TYR  56  -0.640   9.759   9.759
  352    HA   TYR  56           HA       TYR  56  -2.293   7.433   7.433
  353   1HB   TYR  56          2HB       TYR  56   0.606   7.938   7.938
  354   2HB   TYR  56          3HB       TYR  56  -0.033   6.327   6.327
  355    HD1  TYR  56           HD1      TYR  56  -2.794   6.707   6.707
  356    HD2  TYR  56           HD2      TYR  56   1.071   7.900   7.900
  357    HE1  TYR  56           HE1      TYR  56  -3.634   6.654   6.654
  358    HE2  TYR  56           HE2      TYR  56   0.218   7.844   7.844
  359    HH   TYR  56           HH       TYR  56  -3.057   7.714   7.714
  360    H    TYR  57           HN       TYR  57  -2.366   6.586   6.586
  361    HA   TYR  57           HA       TYR  57  -0.314   7.489   7.489
  362   1HB   TYR  57          2HB       TYR  57  -3.053   6.110   6.110
  363   2HB   TYR  57          3HB       TYR  57  -2.100   6.756   6.756
  364    HD1  TYR  57           HD2      TYR  57  -1.328   9.239   9.239
  365    HD2  TYR  57           HD1      TYR  57  -4.933   7.525   7.525
  366    HE1  TYR  57           HE2      TYR  57  -2.506  11.478  11.478
  367    HE2  TYR  57           HE1      TYR  57  -6.100   9.769   9.769
  368    HH   TYR  57           HH       TYR  57  -5.286  12.022  12.022
  369    H    GLU  58           HN       GLU  58   1.019   6.053   6.053
  370    HA   GLU  58           HA       GLU  58   0.797   3.310   3.310
  371   1HB   GLU  58          2HB       GLU  58   3.183   3.117   3.117
  372   2HB   GLU  58          3HB       GLU  58   2.946   4.340   4.340
  373   1HG   GLU  58          2HG       GLU  58   3.737   5.959   5.959
  374   2HG   GLU  58          3HG       GLU  58   2.544   5.564   5.564
  375    H    TRP  59           HN       TRP  59   0.689   1.549   1.549
  376    HA   TRP  59           HA       TRP  59   0.883   2.055   2.055
  377   1HB   TRP  59          2HB       TRP  59  -1.339   2.809   2.809
  378   2HB   TRP  59          3HB       TRP  59  -1.768   1.523   1.523
  379    HD1  TRP  59           HD1      TRP  59  -2.597  -0.773  -0.773
  380    HE1  TRP  59           HE1      TRP  59  -3.126  -1.653  -1.653
  381    HE3  TRP  59           HE3      TRP  59  -0.436   3.123   3.123
  382    HZ2  TRP  59           HZ2      TRP  59  -2.594  -0.645  -0.645
  383    HZ3  TRP  59           HZ3      TRP  59  -0.484   3.099   3.099
  384    HH2  TRP  59           HH2      TRP  59  -1.515   1.299   1.299
  385    HA   PRO  60           HA       PRO  60   2.078  -2.104  -2.104
  386   1HB   PRO  60          2HB       PRO  60   2.018  -2.907  -2.907
  387   2HB   PRO  60          3HB       PRO  60   3.345  -1.994  -1.994
  388   1HG   PRO  60          2HG       PRO  60   1.201  -1.065  -1.065
  389   2HG   PRO  60          3HG       PRO  60   2.741  -0.310  -0.310
  390   1HD   PRO  60          2HD       PRO  60   0.173   0.467   0.467
  391   2HD   PRO  60          3HD       PRO  60   1.725   1.147   1.147
  392    H    ILE  61           HN       ILE  61   1.424  -4.280  -4.280
  393    HA   ILE  61           HA       ILE  61  -1.452  -4.509  -4.509
  394    HB   ILE  61           HB       ILE  61  -0.730  -4.420  -4.420
  395   1HG1  ILE  61          2HG1      ILE  61  -2.064  -7.043  -7.043
  396   2HG1  ILE  61          3HG1      ILE  61  -2.844  -5.527  -5.527
  397   1HG2  ILE  61          2HG2      ILE  61   0.512  -7.083  -7.083
  398   2HG2  ILE  61          3HG2      ILE  61   0.158  -6.565  -6.565
  399   3HG2  ILE  61          1HG2      ILE  61   1.319  -5.648  -5.648
  400   1HD1  ILE  61          3HD1      ILE  61  -2.472  -4.796  -4.796
  401   2HD1  ILE  61          1HD1      ILE  61  -1.965  -6.470  -6.470
  402   3HD1  ILE  61          2HD1      ILE  61  -3.621  -6.136  -6.136
  403    H    LEU  62           HN       LEU  62  -2.119  -6.143  -6.143
  404    HA   LEU  62           HA       LEU  62   0.007  -7.838  -7.838
  405   1HB   LEU  62          2HB       LEU  62  -2.705  -7.000  -7.000
  406   2HB   LEU  62          3HB       LEU  62  -1.835  -8.345  -8.345
  407    HG   LEU  62           HG       LEU  62  -0.642  -5.575  -5.575
  408   1HD1  LEU  62          2HD1      LEU  62  -2.772  -5.510  -5.510
  409   2HD1  LEU  62          3HD1      LEU  62  -2.092  -6.713  -6.713
  410   3HD1  LEU  62          1HD1      LEU  62  -1.336  -5.108  -5.108
  411   1HD2  LEU  62          1HD2      LEU  62   0.958  -7.396  -7.396
  412   2HD2  LEU  62          2HD2      LEU  62   0.862  -6.353  -6.353
  413   3HD2  LEU  62          3HD2      LEU  62   0.060  -7.942  -7.942
  414    H    SER  63           HN       SER  63   0.216  -9.911  -9.911
  415    HA   SER  63           HA       SER  63  -1.559 -10.946 -10.946
  416   1HB   SER  63          2HB       SER  63   0.861 -11.531 -11.531
  417   2HB   SER  63          3HB       SER  63   0.583 -12.355 -12.355
  418    HG   SER  63           HG       SER  63  -0.287 -14.053 -14.053
  419    H    SER  64           HN       SER  64  -2.268 -10.332 -10.332
  420    HA   SER  64           HA       SER  64  -3.587 -12.894 -12.894
  421   1HB   SER  64          2HB       SER  64  -2.423 -10.823 -10.823
  422   2HB   SER  64          3HB       SER  64  -3.887 -11.608 -11.608
  423    HG   SER  64           HG       SER  64  -1.421 -12.907 -12.907
  424    H    GLY  65           HN       GLY  65  -4.057  -9.733  -9.733
  425   1HA   GLY  65          1HA       GLY  65  -5.974  -8.725  -8.725
  426   2HA   GLY  65          2HA       GLY  65  -6.916 -10.018 -10.018
  427    H    ASP  66           HN       ASP  66  -4.436  -7.953  -7.953
  428    HA   ASP  66           HA       ASP  66  -6.617  -6.944  -6.944
  429   1HB   ASP  66          2HB       ASP  66  -3.732  -7.624  -7.624
  430   2HB   ASP  66          3HB       ASP  66  -4.768  -6.687  -6.687
  431    H    VAL  67           HN       VAL  67  -4.910  -5.044  -5.044
  432    HA   VAL  67           HA       VAL  67  -4.114  -3.275  -3.275
  433    HB   VAL  67           HB       VAL  67  -5.658  -2.760  -2.760
  434   1HG1  VAL  67          2HG1      VAL  67  -3.747  -1.170  -1.170
  435   2HG1  VAL  67          3HG1      VAL  67  -4.282  -0.629  -0.629
  436   3HG1  VAL  67          1HG1      VAL  67  -5.326  -0.370  -0.370
  437   1HG2  VAL  67          3HG2      VAL  67  -6.115  -2.545  -2.545
  438   2HG2  VAL  67          1HG2      VAL  67  -7.243  -2.956  -2.956
  439   3HG2  VAL  67          2HG2      VAL  67  -6.814  -1.256  -1.256
  440    H    TYR  68           HN       TYR  68  -1.989  -2.763  -2.763
  441    HA   TYR  68           HA       TYR  68  -0.339  -3.631  -3.631
  442   1HB   TYR  68          2HB       TYR  68  -0.233  -2.646  -2.646
  443   2HB   TYR  68          3HB       TYR  68   0.991  -1.837  -1.837
  444    HD1  TYR  68           HD1      TYR  68   1.930  -3.900  -3.900
  445    HD2  TYR  68           HD2      TYR  68   0.832  -4.236  -4.236
  446    HE1  TYR  68           HE1      TYR  68   3.451  -5.922  -5.922
  447    HE2  TYR  68           HE2      TYR  68   2.358  -6.257  -6.257
  448    HH   TYR  68           HH       TYR  68   3.515  -7.947  -7.947
  449    H    SER  69           HN       SER  69  -0.106  -2.523  -2.523
  450    HA   SER  69           HA       SER  69   0.147   0.361   0.361
  451   1HB   SER  69          2HB       SER  69  -1.282   0.778   0.778
  452   2HB   SER  69          3HB       SER  69  -2.171  -0.290  -0.290
  453    HG   SER  69           HG       SER  69  -2.109  -0.822  -0.822
  454    H    GLY  70           HN       GLY  70   2.434  -0.927  -0.927
  455   1HA   GLY  70          1HA       GLY  70   3.394  -0.758  -0.758
  456   2HA   GLY  70          2HA       GLY  70   3.756  -2.175  -2.175
  457    H    GLY  71           HN       GLY  71   3.559   0.193   0.193
  458   1HA   GLY  71          1HA       GLY  71   5.016   1.630   1.630
  459   2HA   GLY  71          2HA       GLY  71   6.052   1.561   1.561
  460    H    SER  72           HN       SER  72   5.856  -1.572  -1.572
  461    HA   SER  72           HA       SER  72   7.868  -1.736  -1.736
  462   1HB   SER  72          2HB       SER  72   7.645  -3.032  -3.032
  463   2HB   SER  72          3HB       SER  72   8.475  -3.904  -3.904
  464    HG   SER  72           HG       SER  72  10.160  -2.599  -2.599
  465    HA   PRO  73           HA       PRO  73   4.410  -4.352  -4.352
  466   1HB   PRO  73          2HB       PRO  73   4.313  -3.528  -3.528
  467   2HB   PRO  73          3HB       PRO  73   3.334  -2.818  -2.818
  468   1HG   PRO  73          2HG       PRO  73   5.737  -1.715  -1.715
  469   2HG   PRO  73          3HG       PRO  73   4.518  -0.876  -0.876
  470   1HD   PRO  73          2HD       PRO  73   7.153  -1.601  -1.601
  471   2HD   PRO  73          3HD       PRO  73   5.894  -0.866  -0.866
  472    H    GLY  74           HN       GLY  74   7.126  -3.637  -3.637
  473   1HA   GLY  74          1HA       GLY  74   8.666  -5.725  -5.725
  474   2HA   GLY  74          2HA       GLY  74   7.275  -6.508  -6.508
  475    H    ALA  75           HN       ALA  75   6.987  -6.398  -6.398
  476    HA   ALA  75           HA       ALA  75   8.539  -4.345  -4.345
  477   1HB   ALA  75          2HB       ALA  75   9.197  -7.026  -7.026
  478   2HB   ALA  75          3HB       ALA  75   8.196  -6.924  -6.924
  479   3HB   ALA  75          1HB       ALA  75   9.641  -5.897  -5.897
  480    H    ASP  76           HN       ASP  76   5.776  -6.662  -6.662
  481    HA   ASP  76           HA       ASP  76   4.612  -5.816  -5.816
  482   1HB   ASP  76          2HB       ASP  76   2.862  -6.543  -6.543
  483   2HB   ASP  76          3HB       ASP  76   2.759  -7.083  -7.083
  484    H    ARG  77           HN       ARG  77   3.252  -4.035  -4.035
  485    HA   ARG  77           HA       ARG  77   2.143  -2.540  -2.540
  486   1HB   ARG  77          2HB       ARG  77   3.888  -1.085  -1.085
  487   2HB   ARG  77          3HB       ARG  77   3.164  -0.411  -0.411
  488   1HG   ARG  77          2HG       ARG  77   5.001  -2.763  -2.763
  489   2HG   ARG  77          3HG       ARG  77   5.744  -1.245  -1.245
  490   1HD   ARG  77          2HD       ARG  77   4.312  -0.196  -0.196
  491   2HD   ARG  77          3HD       ARG  77   4.102  -1.847  -1.847
  492    HE   ARG  77           HE       ARG  77   6.649  -0.325  -0.325
  493   1HH1  ARG  77           HH2      ARG  77   5.015  -3.383  -3.383
  494   2HH1  ARG  77           HH2      ARG  77   6.324  -4.046  -4.046
  495   1HH2  ARG  77           HH1      ARG  77   8.374  -1.200  -1.200
  496   2HH2  ARG  77           HH1      ARG  77   8.246  -2.797  -2.797
  497    H    VAL  78           HN       VAL  78   0.284  -1.321  -1.321
  498    HA   VAL  78           HA       VAL  78  -0.447  -1.763  -1.763
  499    HB   VAL  78           HB       VAL  78  -2.238  -2.727  -2.727
  500   1HG1  VAL  78          2HG1      VAL  78  -0.734  -2.610  -2.610
  501   2HG1  VAL  78          3HG1      VAL  78  -2.131  -1.641  -1.641
  502   3HG1  VAL  78          1HG1      VAL  78  -2.371  -3.309  -3.309
  503   1HG2  VAL  78          3HG2      VAL  78  -3.131  -0.413  -0.413
  504   2HG2  VAL  78          1HG2      VAL  78  -4.057  -1.359  -1.359
  505   3HG2  VAL  78          2HG2      VAL  78  -2.946  -0.081  -0.081
  506    H    VAL  79           HN       VAL  79  -0.656  -0.006  -0.006
  507    HA   VAL  79           HA       VAL  79  -0.581   2.600   2.600
  508    HB   VAL  79           HB       VAL  79   0.215   1.670   1.670
  509   1HG1  VAL  79          1HG1      VAL  79  -0.885   4.125   4.125
  510   2HG1  VAL  79          2HG1      VAL  79   0.842   4.452   4.452
  511   3HG1  VAL  79          3HG1      VAL  79   0.305   3.782   3.782
  512   1HG2  VAL  79          3HG2      VAL  79   1.629   1.589   1.589
  513   2HG2  VAL  79          1HG2      VAL  79   2.348   1.674   1.674
  514   3HG2  VAL  79          2HG2      VAL  79   2.126   3.162   3.162
  515    H    PHE  80           HN       PHE  80  -2.196   4.120   4.120
  516    HA   PHE  80           HA       PHE  80  -4.225   3.519   3.519
  517   1HB   PHE  80          2HB       PHE  80  -5.997   3.690   3.690
  518   2HB   PHE  80          3HB       PHE  80  -4.886   2.407   2.407
  519    HD1  PHE  80           HD2      PHE  80  -2.847   3.231   3.231
  520    HD2  PHE  80           HD1      PHE  80  -6.600   5.186   5.186
  521    HE1  PHE  80           HE2      PHE  80  -2.467   4.318   4.318
  522    HE2  PHE  80           HE1      PHE  80  -6.220   6.274   6.274
  523    HZ   PHE  80           HZ       PHE  80  -4.157   5.826   5.826
  524    H    ASN  81           HN       ASN  81  -6.115   5.460   5.460
  525    HA   ASN  81           HA       ASN  81  -4.507   7.876   7.876
  526   1HB   ASN  81          2HB       ASN  81  -7.111   7.961   7.961
  527   2HB   ASN  81          3HB       ASN  81  -5.614   8.808   8.808
  528   1HD2  ASN  81          2HD2      ASN  81  -6.246   4.940   4.940
  529   2HD2  ASN  81          1HD2      ASN  81  -7.105   5.592   5.592
  530    H    GLU  82           HN       GLU  82  -6.680   9.727   9.727
  531    HA   GLU  82           HA       GLU  82  -7.771   9.105   9.105
  532   1HB   GLU  82          2HB       GLU  82  -6.830  11.290  11.290
  533   2HB   GLU  82          3HB       GLU  82  -7.580  11.622  11.622
  534   1HG   GLU  82          2HG       GLU  82  -9.699  12.018  12.018
  535   2HG   GLU  82          3HG       GLU  82  -9.375  11.029  11.029
  536    H    ASN  83           HN       ASN  83  -8.663   7.950   7.950
  537    HA   ASN  83           HA       ASN  83 -11.424   8.843   8.843
  538   1HB   ASN  83          2HB       ASN  83 -11.172   7.086   7.086
  539   2HB   ASN  83          3HB       ASN  83 -11.183   8.837   8.837
  540   1HD2  ASN  83          2HD2      ASN  83  -7.771   6.634   6.634
  541   2HD2  ASN  83          1HD2      ASN  83  -9.286   5.946   5.946
  542    H    ASN  84           HN       ASN  84  -9.177   6.214   6.214
  543    HA   ASN  84           HA       ASN  84  -9.786   4.537   4.537
  544   1HB   ASN  84          2HB       ASN  84 -11.968   3.615   3.615
  545   2HB   ASN  84          3HB       ASN  84 -12.298   5.289   5.289
  546   1HD2  ASN  84          2HD2      ASN  84 -12.466   4.113   4.113
  547   2HD2  ASN  84          1HD2      ASN  84 -11.227   4.916   4.916
  548    H    GLN  85           HN       GLN  85  -8.709   4.934   4.934
  549    HA   GLN  85           HA       GLN  85  -9.168   2.223   2.223
  550   1HB   GLN  85          2HB       GLN  85  -8.138   4.671   4.671
  551   2HB   GLN  85          3HB       GLN  85  -8.365   3.084   3.084
  552   1HG   GLN  85          2HG       GLN  85 -10.771   3.168   3.168
  553   2HG   GLN  85          3HG       GLN  85 -10.628   4.610   4.610
  554   1HE2  GLN  85          2HE2      GLN  85  -9.746   6.758   6.758
  555   2HE2  GLN  85          1HE2      GLN  85  -9.189   6.357   6.357
  556    H    LEU  86           HN       LEU  86  -7.457   0.781   0.781
  557    HA   LEU  86           HA       LEU  86  -4.959   1.708   1.708
  558   1HB   LEU  86          2HB       LEU  86  -5.521  -0.218  -0.218
  559   2HB   LEU  86          3HB       LEU  86  -6.356  -0.881  -0.881
  560    HG   LEU  86           HG       LEU  86  -3.393  -0.623  -0.623
  561   1HD1  LEU  86          1HD1      LEU  86  -4.523  -1.820  -1.820
  562   2HD1  LEU  86          2HD1      LEU  86  -4.018  -3.155  -3.155
  563   3HD1  LEU  86          3HD1      LEU  86  -2.839  -1.915  -1.915
  564   1HD2  LEU  86          2HD2      LEU  86  -5.571  -2.144  -2.144
  565   2HD2  LEU  86          3HD2      LEU  86  -3.964  -1.715  -1.715
  566   3HD2  LEU  86          1HD2      LEU  86  -4.156  -3.143  -3.143
  567    H    ALA  87           HN       ALA  87  -3.016   1.857   1.857
  568    HA   ALA  87           HA       ALA  87  -3.162   2.124   2.124
  569   1HB   ALA  87          1HB       ALA  87  -1.398   2.796   2.796
  570   2HB   ALA  87          2HB       ALA  87  -0.456   1.884   1.884
  571   3HB   ALA  87          3HB       ALA  87  -1.338   3.351   3.351
  572    H    GLY  88           HN       GLY  88  -1.827  -0.371  -0.371
  573   1HA   GLY  88          1HA       GLY  88  -2.342  -2.523  -2.523
  574   2HA   GLY  88          2HA       GLY  88  -0.709  -1.997  -1.997
  575    H    VAL  89           HN       VAL  89   0.652  -3.435  -3.435
  576    HA   VAL  89           HA       VAL  89   0.510  -3.568  -3.568
  577    HB   VAL  89           HB       VAL  89   0.152  -5.958  -5.958
  578   1HG1  VAL  89          1HG1      VAL  89   1.842  -5.879  -5.879
  579   2HG1  VAL  89          2HG1      VAL  89   0.333  -6.614  -6.614
  580   3HG1  VAL  89          3HG1      VAL  89   1.184  -7.326  -7.326
  581   1HG2  VAL  89          3HG2      VAL  89  -1.430  -4.738  -4.738
  582   2HG2  VAL  89          1HG2      VAL  89  -1.947  -5.056  -5.056
  583   3HG2  VAL  89          2HG2      VAL  89  -1.689  -6.411  -6.411
  584    H    ILE  90           HN       ILE  90   2.482  -2.455  -2.455
  585    HA   ILE  90           HA       ILE  90   4.667  -3.474  -3.474
  586    HB   ILE  90           HB       ILE  90   5.874  -1.573  -1.573
  587   1HG1  ILE  90          2HG1      ILE  90   4.086  -1.728  -1.728
  588   2HG1  ILE  90          3HG1      ILE  90   5.651  -0.954  -0.954
  589   1HG2  ILE  90          2HG2      ILE  90   3.851  -1.393  -1.393
  590   2HG2  ILE  90          3HG2      ILE  90   3.132  -0.418  -0.418
  591   3HG2  ILE  90          1HG2      ILE  90   4.682   0.070   0.070
  592   1HD1  ILE  90          1HD1      ILE  90   4.254   0.843   0.843
  593   2HD1  ILE  90          2HD1      ILE  90   2.906   0.196   0.196
  594   3HD1  ILE  90          3HD1      ILE  90   4.318   0.917   0.917
  595    H    THR  91           HN       THR  91   6.872  -3.680  -3.680
  596    HA   THR  91           HA       THR  91   6.715  -4.597  -4.597
  597    HB   THR  91           HB       THR  91   5.755  -6.627  -6.627
  598    HG1  THR  91           HG1      THR  91   8.135  -6.700  -6.700
  599   1HG2  THR  91          3HG2      THR  91   5.834  -6.087  -6.087
  600   2HG2  THR  91          1HG2      THR  91   7.554  -6.544  -6.544
  601   3HG2  THR  91          2HG2      THR  91   6.308  -7.763  -7.763
  602    H    HIS  92           HN       HIS  92   8.791  -5.059  -5.059
  603    HA   HIS  92           HA       HIS  92  10.843  -3.675  -3.675
  604   1HB   HIS  92          2HB       HIS  92  10.538  -4.836  -4.836
  605   2HB   HIS  92          3HB       HIS  92  12.137  -4.428  -4.428
  606    HD1  HIS  92           HD1      HIS  92  12.635  -2.356  -2.356
  607    HD2  HIS  92           HD2      HIS  92   8.914  -2.171  -2.171
  608    HE1  HIS  92           HE1      HIS  92  11.762   0.014   0.014
  609    HE2  HIS  92           HE2      HIS  92   9.499   0.083   0.083
  610    H    THR  93           HN       THR  93   9.635  -6.507  -6.507
  611    HA   THR  93           HA       THR  93  11.503  -8.479  -8.479
  612    HB   THR  93           HB       THR  93   9.499  -7.754  -7.754
  613    HG1  THR  93           HG1      THR  93   8.483  -8.816  -8.816
  614   1HG2  THR  93          1HG2      THR  93  11.743  -9.430  -9.430
  615   2HG2  THR  93          2HG2      THR  93  10.417 -10.537 -10.537
  616   3HG2  THR  93          3HG2      THR  93  10.222  -9.399  -9.399
  617    H    GLY  94           HN       GLY  94  13.612  -7.552  -7.552
  618   1HA   GLY  94          1HA       GLY  94  15.504  -6.635  -6.635
  619   2HA   GLY  94          2HA       GLY  94  15.294  -7.983  -7.983
  620    H    ALA  95           HN       ALA  95  13.114  -5.129  -5.129
  621    HA   ALA  95           HA       ALA  95  12.947  -4.722  -4.722
  622   1HB   ALA  95          3HB       ALA  95  12.602  -2.908  -2.908
  623   2HB   ALA  95          1HB       ALA  95  12.278  -2.344  -2.344
  624   3HB   ALA  95          2HB       ALA  95  11.349  -3.702  -3.702
  625    H    SER  96           HN       SER  96  15.380  -3.559  -3.559
  626    HA   SER  96           HA       SER  96  17.545  -3.433  -3.433
  627   1HB   SER  96          2HB       SER  96  16.833  -2.709  -2.709
  628   2HB   SER  96          3HB       SER  96  15.871  -1.399  -1.399
  629    HG   SER  96           HG       SER  96  18.596  -1.476  -1.476
  630    H    GLY  97           HN       GLY  97  16.373  -2.894  -2.894
  631   1HA   GLY  97          1HA       GLY  97  17.661  -1.640  -1.640
  632   2HA   GLY  97          2HA       GLY  97  17.519  -0.234  -0.234
  633    H    ASN  98           HN       ASN  98  15.981   1.224   1.224
  634    HA   ASN  98           HA       ASN  98  13.915   0.274   0.274
  635   1HB   ASN  98          2HB       ASN  98  15.172   2.321   2.321
  636   2HB   ASN  98          3HB       ASN  98  14.745   3.090   3.090
  637   1HD2  ASN  98          2HD2      ASN  98  11.320   2.210   2.210
  638   2HD2  ASN  98          1HD2      ASN  98  12.396   1.014   1.014
  639    H    ASN  99           HN       ASN  99  14.472   0.822   0.822
  640    HA   ASN  99           HA       ASN  99  12.193   2.128   2.128
  641   1HB   ASN  99          2HB       ASN  99  12.695   1.234   1.234
  642   2HB   ASN  99          3HB       ASN  99  14.225   1.545   1.545
  643   1HD2  ASN  99          2HD2      ASN  99  14.296  -2.143  -2.143
  644   2HD2  ASN  99          1HD2      ASN  99  13.975  -0.692  -0.692
  645    H    PHE 100           HN       PHE 100  10.166   1.225   1.225
  646    HA   PHE 100           HA       PHE 100   9.496  -1.355  -1.355
  647   1HB   PHE 100          2HB       PHE 100   8.043   1.201   1.201
  648   2HB   PHE 100          3HB       PHE 100   7.117  -0.283  -0.283
  649    HD1  PHE 100           HD2      PHE 100   7.691  -1.644  -1.644
  650    HD2  PHE 100           HD1      PHE 100   7.975   2.554   2.554
  651    HE1  PHE 100           HE2      PHE 100   7.436  -1.302  -1.302
  652    HE2  PHE 100           HE1      PHE 100   7.719   2.896   2.896
  653    HZ   PHE 100           HZ       PHE 100   7.452   0.964   0.964
  654    H    VAL 101           HN       VAL 101   7.638  -2.527  -2.527
  655    HA   VAL 101           HA       VAL 101   7.667  -2.144  -2.144
  656    HB   VAL 101           HB       VAL 101   8.681  -4.345  -4.345
  657   1HG1  VAL 101          2HG1      VAL 101   9.896  -2.090  -2.090
  658   2HG1  VAL 101          3HG1      VAL 101  10.694  -2.598  -2.598
  659   3HG1  VAL 101          1HG1      VAL 101  10.907  -3.555  -3.555
  660   1HG2  VAL 101          2HG2      VAL 101   9.498  -4.273  -4.273
  661   2HG2  VAL 101          3HG2      VAL 101   8.486  -5.491  -5.491
  662   3HG2  VAL 101          1HG2      VAL 101  10.214  -5.356  -5.356
  663    H    GLU 102           HN       GLU 102   5.774  -2.946  -2.946
  664    HA   GLU 102           HA       GLU 102   3.853  -3.847  -3.847
  665   1HB   GLU 102          2HB       GLU 102   2.871  -4.662  -4.662
  666   2HB   GLU 102          3HB       GLU 102   2.791  -3.013  -3.013
  667   1HG   GLU 102          2HG       GLU 102   4.654  -2.316  -2.316
  668   2HG   GLU 102          3HG       GLU 102   5.261  -3.949  -3.949
  669    H    CYS 103           HN       CYS 103   3.363  -5.839  -5.839
  670    HA   CYS 103           HA       CYS 103   5.074  -7.968  -7.968
  671   1HB   CYS 103          2HB       CYS 103   2.172  -7.998  -7.998
  672   2HB   CYS 103          3HB       CYS 103   3.313  -9.305  -9.305
  673    H    THR 104           HN       THR 104   3.516 -10.269 -10.269
  674    HA   THR 104           HA       THR 104   2.825  -9.859  -9.859
  675    HB   THR 104           HB       THR 104   3.741 -12.173 -12.173
  676    HG1  THR 104           HG1      THR 104   3.333 -12.152 -12.152
  677   1HG2  THR 104          3HG2      THR 104   5.399  -9.933  -9.933
  678   2HG2  THR 104          1HG2      THR 104   6.146 -11.547 -11.547
  679   3HG2  THR 104          2HG2      THR 104   5.632 -10.890 -10.890

  Start of MODEL    8
    1    H    ALA   1           HN       ALA   1  -8.878 -15.709 -15.709
    2    HA   ALA   1           HA       ALA   1  -6.524 -16.437 -16.437
    3   1HB   ALA   1          3HB       ALA   1  -7.895 -14.483 -14.483
    4   2HB   ALA   1          1HB       ALA   1  -6.124 -14.342 -14.342
    5   3HB   ALA   1          2HB       ALA   1  -6.917 -15.899 -15.899
    6    H    CYS   2           HN       CYS   2  -4.337 -15.015 -15.015
    7    HA   CYS   2           HA       CYS   2  -3.858 -13.462 -13.462
    8   1HB   CYS   2          2HB       CYS   2  -1.455 -14.126 -14.126
    9   2HB   CYS   2          3HB       CYS   2  -1.923 -14.513 -14.513
   10    H    ASP   3           HN       ASP   3  -5.218 -11.867 -11.867
   11    HA   ASP   3           HA       ASP   3  -4.354 -10.801 -10.801
   12   1HB   ASP   3          2HB       ASP   3  -5.238  -9.226  -9.226
   13   2HB   ASP   3          3HB       ASP   3  -5.236  -8.588  -8.588
   14    H    TYR   4           HN       TYR   4  -2.826 -10.579 -10.579
   15    HA   TYR   4           HA       TYR   4  -0.598  -9.120  -9.120
   16   1HB   TYR   4          2HB       TYR   4  -1.917  -8.665  -8.665
   17   2HB   TYR   4          3HB       TYR   4  -0.536  -7.770  -7.770
   18    HD1  TYR   4           HD2      TYR   4  -0.860  -6.305  -6.305
   19    HD2  TYR   4           HD1      TYR   4  -4.122  -7.953  -7.953
   20    HE1  TYR   4           HE2      TYR   4  -2.430  -4.582  -4.582
   21    HE2  TYR   4           HE1      TYR   4  -5.683  -6.224  -6.224
   22    HH   TYR   4           HH       TYR   4  -5.800  -4.857  -4.857
   23    H    THR   5           HN       THR   5   1.046 -10.580 -10.580
   24    HA   THR   5           HA       THR   5   1.367 -12.064 -12.064
   25    HB   THR   5           HB       THR   5   1.685 -12.869 -12.869
   26    HG1  THR   5           HG1      THR   5   0.533 -13.935 -13.935
   27   1HG2  THR   5          1HG2      THR   5   3.567 -13.561 -13.561
   28   2HG2  THR   5          2HG2      THR   5   2.407 -14.911 -14.911
   29   3HG2  THR   5          3HG2      THR   5   3.253 -14.465 -14.465
   30    H    CYS   6           HN       CYS   6   2.834 -10.912 -10.912
   31    HA   CYS   6           HA       CYS   6   4.968  -9.592  -9.592
   32   1HB   CYS   6          2HB       CYS   6   4.142  -9.905  -9.905
   33   2HB   CYS   6          3HB       CYS   6   5.732  -9.282  -9.282
   34    H    GLY   7           HN       GLY   7   5.531 -11.835 -11.835
   35   1HA   GLY   7          1HA       GLY   7   7.366 -13.206 -13.206
   36   2HA   GLY   7          2HA       GLY   7   7.763 -12.939 -12.939
   37    H    SER   8           HN       SER   8   5.417 -13.616 -13.616
   38    HA   SER   8           HA       SER   8   4.451 -16.097 -16.097
   39   1HB   SER   8          2HB       SER   8   5.508 -17.601 -17.601
   40   2HB   SER   8          3HB       SER   8   6.806 -16.440 -16.440
   41    HG   SER   8           HG       SER   8   5.647 -17.219 -17.219
   42    H    ASN   9           HN       ASN   9   3.034 -13.804 -13.804
   43    HA   ASN   9           HA       ASN   9   1.799 -14.364 -14.364
   44   1HB   ASN   9          2HB       ASN   9   1.787 -11.697 -11.697
   45   2HB   ASN   9          3HB       ASN   9   1.156 -11.978 -11.978
   46   1HD2  ASN   9          2HD2      ASN   9   5.259 -12.024 -12.024
   47   2HD2  ASN   9          1HD2      ASN   9   4.136 -12.521 -12.521
   48    H    CYS  10           HN       CYS  10  -0.544 -12.754 -12.754
   49    HA   CYS  10           HA       CYS  10  -1.690 -13.147 -13.147
   50   1HB   CYS  10          2HB       CYS  10  -1.643 -15.515 -15.515
   51   2HB   CYS  10          3HB       CYS  10  -2.594 -15.118 -15.118
   52    H    TYR  11           HN       TYR  11  -1.906 -10.838 -10.838
   53    HA   TYR  11           HA       TYR  11  -3.777 -10.420 -10.420
   54   1HB   TYR  11          2HB       TYR  11  -2.522  -8.413  -8.413
   55   2HB   TYR  11          3HB       TYR  11  -3.035  -8.098  -8.098
   56    HD1  TYR  11           HD1      TYR  11  -1.727  -9.312  -9.312
   57    HD2  TYR  11           HD2      TYR  11  -0.276  -8.915  -8.915
   58    HE1  TYR  11           HE1      TYR  11   0.648  -9.727  -9.727
   59    HE2  TYR  11           HE2      TYR  11   2.092  -9.331  -9.331
   60    HH   TYR  11           HH       TYR  11   3.353  -9.126  -9.126
   61    H    SER  12           HN       SER  12  -5.081 -11.841 -11.841
   62    HA   SER  12           HA       SER  12  -6.151 -10.940 -10.940
   63   1HB   SER  12          2HB       SER  12  -7.947 -12.299 -12.299
   64   2HB   SER  12          3HB       SER  12  -7.007 -12.736 -12.736
   65    HG   SER  12           HG       SER  12  -8.193 -10.845 -10.845
   66    H    SER  13           HN       SER  13  -7.858  -9.472  -9.472
   67    HA   SER  13           HA       SER  13  -7.654  -6.949  -6.949
   68   1HB   SER  13          2HB       SER  13  -9.648  -6.522  -6.522
   69   2HB   SER  13          3HB       SER  13  -9.084  -8.044  -8.044
   70    HG   SER  13           HG       SER  13 -11.187  -7.634  -7.634
   71    H    SER  14           HN       SER  14  -9.247  -9.474  -9.474
   72    HA   SER  14           HA       SER  14 -10.756  -7.638  -7.638
   73   1HB   SER  14          2HB       SER  14 -11.537  -9.963  -9.963
   74   2HB   SER  14          3HB       SER  14 -10.159 -10.603 -10.603
   75    HG   SER  14           HG       SER  14 -10.997  -9.289  -9.289
   76    H    ASP  15           HN       ASP  15  -7.543  -9.065  -9.065
   77    HA   ASP  15           HA       ASP  15  -7.115  -8.685  -8.685
   78   1HB   ASP  15          2HB       ASP  15  -5.612  -9.711  -9.711
   79   2HB   ASP  15          3HB       ASP  15  -4.600  -8.888  -8.888
   80    H    VAL  16           HN       VAL  16  -6.790  -6.887  -6.887
   81    HA   VAL  16           HA       VAL  16  -4.908  -4.984  -4.984
   82    HB   VAL  16           HB       VAL  16  -6.669  -5.043  -5.043
   83   1HG1  VAL  16          2HG1      VAL  16  -5.591  -2.779  -2.779
   84   2HG1  VAL  16          3HG1      VAL  16  -4.247  -3.338  -3.338
   85   3HG1  VAL  16          1HG1      VAL  16  -5.851  -3.048  -3.048
   86   1HG2  VAL  16          3HG2      VAL  16  -4.062  -6.224  -6.224
   87   2HG2  VAL  16          1HG2      VAL  16  -5.204  -6.635  -6.635
   88   3HG2  VAL  16          2HG2      VAL  16  -4.057  -5.289  -5.289
   89    H    SER  17           HN       SER  17  -8.318  -4.571  -4.571
   90    HA   SER  17           HA       SER  17  -8.847  -2.166  -2.166
   91   1HB   SER  17          2HB       SER  17 -10.499  -3.611  -3.611
   92   2HB   SER  17          3HB       SER  17 -10.661  -4.598  -4.598
   93    HG   SER  17           HG       SER  17 -11.233  -2.350  -2.350
   94    H    THR  18           HN       THR  18  -9.073  -5.151  -5.151
   95    HA   THR  18           HA       THR  18  -9.876  -3.944  -3.944
   96    HB   THR  18           HB       THR  18  -8.378  -6.437  -6.437
   97    HG1  THR  18           HG1      THR  18 -10.745  -5.601  -5.601
   98   1HG2  THR  18          3HG2      THR  18  -8.248  -5.167  -5.167
   99   2HG2  THR  18          1HG2      THR  18  -8.933  -6.810  -6.810
  100   3HG2  THR  18          2HG2      THR  18  -7.305  -6.530  -6.530
  101    H    ALA  19           HN       ALA  19  -6.513  -4.429  -4.429
  102    HA   ALA  19           HA       ALA  19  -5.288  -3.282  -3.282
  103   1HB   ALA  19          3HB       ALA  19  -4.407  -3.596  -3.596
  104   2HB   ALA  19          1HB       ALA  19  -3.333  -3.088  -3.088
  105   3HB   ALA  19          2HB       ALA  19  -4.076  -4.706  -4.706
  106    H    GLN  20           HN       GLN  20  -6.469  -1.931  -1.931
  107    HA   GLN  20           HA       GLN  20  -5.422   0.593   0.593
  108   1HB   GLN  20          2HB       GLN  20  -8.059  -0.017  -0.017
  109   2HB   GLN  20          3HB       GLN  20  -6.935   1.276   1.276
  110   1HG   GLN  20          2HG       GLN  20  -5.247  -0.322  -0.322
  111   2HG   GLN  20          3HG       GLN  20  -6.210  -1.680  -1.680
  112   1HE2  GLN  20          2HE2      GLN  20  -7.710   0.578   0.578
  113   2HE2  GLN  20          1HE2      GLN  20  -6.969   1.318   1.318
  114    H    ALA  21           HN       ALA  21  -8.775  -0.626  -0.626
  115    HA   ALA  21           HA       ALA  21  -9.981   1.532   1.532
  116   1HB   ALA  21          2HB       ALA  21 -10.050  -1.350  -1.350
  117   2HB   ALA  21          3HB       ALA  21 -10.595  -0.384  -0.384
  118   3HB   ALA  21          1HB       ALA  21 -11.391  -0.195  -0.195
  119    H    ALA  22           HN       ALA  22  -7.372  -0.311  -0.311
  120    HA   ALA  22           HA       ALA  22  -7.544   1.108   1.108
  121   1HB   ALA  22          1HB       ALA  22  -6.404  -1.155  -1.155
  122   2HB   ALA  22          2HB       ALA  22  -5.025  -0.152  -0.152
  123   3HB   ALA  22          3HB       ALA  22  -5.600  -0.087  -0.087
  124    H    GLY  23           HN       GLY  23  -5.241   1.381   1.381
  125   1HA   GLY  23          1HA       GLY  23  -3.835   3.590   3.590
  126   2HA   GLY  23          2HA       GLY  23  -4.085   3.139   3.139
  127    H    TYR  24           HN       TYR  24  -6.937   3.403   3.403
  128    HA   TYR  24           HA       TYR  24  -7.129   6.168   6.168
  129   1HB   TYR  24          2HB       TYR  24  -8.388   3.827   3.827
  130   2HB   TYR  24          3HB       TYR  24  -9.541   4.381   4.381
  131    HD1  TYR  24           HD2      TYR  24  -8.057   5.054   5.054
  132    HD2  TYR  24           HD1      TYR  24 -10.882   6.395   6.395
  133    HE1  TYR  24           HE2      TYR  24  -9.121   6.588   6.588
  134    HE2  TYR  24           HE1      TYR  24 -11.938   7.925   7.925
  135    HH   TYR  24           HH       TYR  24 -12.118   7.957   7.957
  136    H    LYS  25           HN       LYS  25  -9.055   4.096   4.096
  137    HA   LYS  25           HA       LYS  25 -10.387   5.998   5.998
  138   1HB   LYS  25          2HB       LYS  25 -10.580   3.576   3.576
  139   2HB   LYS  25          3HB       LYS  25  -9.041   3.575   3.575
  140   1HG   LYS  25          2HG       LYS  25 -10.738   3.700   3.700
  141   2HG   LYS  25          3HG       LYS  25 -10.010   5.291   5.291
  142   1HD   LYS  25          2HD       LYS  25 -11.871   6.144   6.144
  143   2HD   LYS  25          3HD       LYS  25 -12.556   4.539   4.539
  144   1HE   LYS  25          2HE       LYS  25 -12.165   5.934   5.934
  145   2HE   LYS  25          3HE       LYS  25 -13.653   6.030   6.030
  146   1HZ   LYS  25          3HZ       LYS  25 -12.410   3.543   3.543
  147   2HZ   LYS  25          1HZ       LYS  25 -13.726   4.261   4.261
  148   3HZ   LYS  25          2HZ       LYS  25 -13.796   3.632   3.632
  149    H    LEU  26           HN       LEU  26  -7.080   4.849   4.849
  150    HA   LEU  26           HA       LEU  26  -6.739   6.826   6.826
  151   1HB   LEU  26          2HB       LEU  26  -5.461   4.775   4.775
  152   2HB   LEU  26          3HB       LEU  26  -4.737   5.221   5.221
  153    HG   LEU  26           HG       LEU  26  -4.036   7.363   7.363
  154   1HD1  LEU  26          3HD1      LEU  26  -4.989   6.306   6.306
  155   2HD1  LEU  26          1HD1      LEU  26  -3.891   4.922   4.922
  156   3HD1  LEU  26          2HD1      LEU  26  -3.228   6.537   6.537
  157   1HD2  LEU  26          2HD2      LEU  26  -2.738   4.953   4.953
  158   2HD2  LEU  26          3HD2      LEU  26  -2.240   6.660   6.660
  159   3HD2  LEU  26          1HD2      LEU  26  -1.888   5.690   5.690
  160    H    HIS  27           HN       HIS  27  -6.266   6.803   6.803
  161    HA   HIS  27           HA       HIS  27  -4.732   9.159   9.159
  162   1HB   HIS  27          2HB       HIS  27  -4.639   7.661   7.661
  163   2HB   HIS  27          3HB       HIS  27  -6.380   7.661   7.661
  164    HD1  HIS  27           HD1      HIS  27  -3.704  10.429  10.429
  165    HD2  HIS  27           HD2      HIS  27  -7.044   9.144   9.144
  166    HE1  HIS  27           HE1      HIS  27  -3.970  12.075  12.075
  167    HE2  HIS  27           HE2      HIS  27  -6.004  11.203  11.203
  168    H    GLU  28           HN       GLU  28  -8.265   8.479   8.479
  169    HA   GLU  28           HA       GLU  28  -8.977  11.088  11.088
  170   1HB   GLU  28          2HB       GLU  28 -11.092   9.769   9.769
  171   2HB   GLU  28          3HB       GLU  28 -10.981  10.086  10.086
  172   1HG   GLU  28          2HG       GLU  28  -9.660   8.013   8.013
  173   2HG   GLU  28          3HG       GLU  28  -9.658   7.711   7.711
  174    H    ASP  29           HN       ASP  29  -8.080   9.467   9.467
  175    HA   ASP  29           HA       ASP  29  -9.278  11.522  11.522
  176   1HB   ASP  29          2HB       ASP  29  -7.795   8.945   8.945
  177   2HB   ASP  29          3HB       ASP  29  -7.780  10.137  10.137
  178    H    GLY  30           HN       GLY  30  -6.303  10.789  10.789
  179   1HA   GLY  30          1HA       GLY  30  -4.442  12.059  12.059
  180   2HA   GLY  30          2HA       GLY  30  -5.065  13.216  13.216
  181    H    GLU  31           HN       GLU  31  -4.968   9.787   9.787
  182    HA   GLU  31           HA       GLU  31  -2.935  10.473  10.473
  183   1HB   GLU  31          2HB       GLU  31  -4.988   8.244   8.244
  184   2HB   GLU  31          3HB       GLU  31  -3.662   8.153   8.153
  185   1HG   GLU  31          2HG       GLU  31  -5.554  10.543  10.543
  186   2HG   GLU  31          3HG       GLU  31  -5.835   9.173   9.173
  187    H    THR  32           HN       THR  32  -1.527   8.325   8.325
  188    HA   THR  32           HA       THR  32  -0.610   7.174   7.174
  189    HB   THR  32           HB       THR  32   1.725   7.497   7.497
  190    HG1  THR  32           HG1      THR  32   0.706   7.575   7.575
  191   1HG2  THR  32          1HG2      THR  32  -0.066   9.973   9.973
  192   2HG2  THR  32          2HG2      THR  32   1.698  10.081  10.081
  193   3HG2  THR  32          3HG2      THR  32   1.023   9.360   9.360
  194    H    VAL  33           HN       VAL  33   1.097   5.316   5.316
  195    HA   VAL  33           HA       VAL  33   0.041   3.841   3.841
  196    HB   VAL  33           HB       VAL  33  -0.488   1.929   1.929
  197   1HG1  VAL  33          3HG1      VAL  33  -1.930   4.155   4.155
  198   2HG1  VAL  33          1HG1      VAL  33  -1.485   3.864   3.864
  199   3HG1  VAL  33          2HG1      VAL  33  -2.357   2.613   2.613
  200   1HG2  VAL  33          3HG2      VAL  33   1.538   2.018   2.018
  201   2HG2  VAL  33          1HG2      VAL  33   0.050   1.516   1.516
  202   3HG2  VAL  33          2HG2      VAL  33   0.670   3.171   3.171
  203    H    GLY  34           HN       GLY  34   1.618   2.710   2.710
  204   1HA   GLY  34          1HA       GLY  34   3.629   1.726   1.726
  205   2HA   GLY  34          2HA       GLY  34   4.072   1.947   1.947
  206    H    SER  35           HN       SER  35   6.197   2.714   2.714
  207    HA   SER  35           HA       SER  35   6.272   5.159   5.159
  208   1HB   SER  35          2HB       SER  35   8.786   4.820   4.820
  209   2HB   SER  35          3HB       SER  35   7.923   3.551   3.551
  210    HG   SER  35           HG       SER  35   9.491   3.352   3.352
  211    H    ASN  36           HN       ASN  36   5.850   4.186   4.186
  212    HA   ASN  36           HA       ASN  36   7.503   6.237   6.237
  213   1HB   ASN  36          2HB       ASN  36   6.006   3.865   3.865
  214   2HB   ASN  36          3HB       ASN  36   5.806   5.241   5.241
  215   1HD2  ASN  36          2HD2      ASN  36   8.715   3.502   3.502
  216   2HD2  ASN  36          1HD2      ASN  36   6.996   3.331   3.331
  217    H    SER  37           HN       SER  37   5.725   6.984   6.984
  218    HA   SER  37           HA       SER  37   3.587   8.307   8.307
  219   1HB   SER  37          2HB       SER  37   3.959  10.341  10.341
  220   2HB   SER  37          3HB       SER  37   5.550   9.806   9.806
  221    HG   SER  37           HG       SER  37   4.495  10.098  10.098
  222    H    TYR  38           HN       TYR  38   3.098   5.838   5.838
  223    HA   TYR  38           HA       TYR  38   2.048   6.330   6.330
  224   1HB   TYR  38          2HB       TYR  38   2.363   3.920   3.920
  225   2HB   TYR  38          3HB       TYR  38   1.613   3.773   3.773
  226    HD1  TYR  38           HD2      TYR  38   4.584   5.871   5.871
  227    HD2  TYR  38           HD1      TYR  38   3.142   2.293   2.293
  228    HE1  TYR  38           HE2      TYR  38   6.866   5.489   5.489
  229    HE2  TYR  38           HE1      TYR  38   5.428   1.923   1.923
  230    HH   TYR  38           HH       TYR  38   7.620   2.511   2.511
  231    HA   PRO  39           HA       PRO  39   0.716   5.347   5.347
  232   1HB   PRO  39          2HB       PRO  39  -1.323   6.326   6.326
  233   2HB   PRO  39          3HB       PRO  39  -1.251   4.664   4.664
  234   1HG   PRO  39          2HG       PRO  39  -2.951   6.871   6.871
  235   2HG   PRO  39          3HG       PRO  39  -3.152   5.146   5.146
  236   1HD   PRO  39          2HD       PRO  39  -2.168   7.027   7.027
  237   2HD   PRO  39          3HD       PRO  39  -2.259   5.287   5.287
  238    H    HIS  40           HN       HIS  40   0.561   6.919   6.919
  239    HA   HIS  40           HA       HIS  40   0.669   9.623   9.623
  240   1HB   HIS  40          2HB       HIS  40   2.996  10.141  10.141
  241   2HB   HIS  40          3HB       HIS  40   2.575   9.038   9.038
  242    HD1  HIS  40           HD1      HIS  40   4.233   8.956   8.956
  243    HD2  HIS  40           HD2      HIS  40   4.148   6.788   6.788
  244    HE1  HIS  40           HE1      HIS  40   6.028   7.155   7.155
  245    HE2  HIS  40           HE2      HIS  40   5.966   5.890   5.890
  246    H    LYS  41           HN       LYS  41   1.700  10.832  10.832
  247    HA   LYS  41           HA       LYS  41   0.786   9.805   9.805
  248   1HB   LYS  41          2HB       LYS  41   1.139  12.131  12.131
  249   2HB   LYS  41          3HB       LYS  41   2.814  11.941  11.941
  250   1HG   LYS  41          2HG       LYS  41   3.334  10.982  10.982
  251   2HG   LYS  41          3HG       LYS  41   1.664  11.228  11.228
  252   1HD   LYS  41          2HD       LYS  41   2.373  13.269  13.269
  253   2HD   LYS  41          3HD       LYS  41   2.306  13.742  13.742
  254   1HE   LYS  41          2HE       LYS  41   4.499  14.365  14.365
  255   2HE   LYS  41          3HE       LYS  41   4.729  12.943  12.943
  256   1HZ   LYS  41          2HZ       LYS  41   4.472  11.716  11.716
  257   2HZ   LYS  41          3HZ       LYS  41   4.837  13.155  13.155
  258   3HZ   LYS  41          1HZ       LYS  41   5.894  12.444  12.444
  259    H    TYR  42           HN       TYR  42   1.866   8.951   8.951
  260    HA   TYR  42           HA       TYR  42   4.517   7.845   7.845
  261   1HB   TYR  42          2HB       TYR  42   3.069   6.044   6.044
  262   2HB   TYR  42          3HB       TYR  42   1.857   6.386   6.386
  263    HD1  TYR  42           HD1      TYR  42   2.674   6.048   6.048
  264    HD2  TYR  42           HD2      TYR  42   4.483   4.223   4.223
  265    HE1  TYR  42           HE1      TYR  42   3.661   4.232   4.232
  266    HE2  TYR  42           HE2      TYR  42   5.464   2.414   2.414
  267    HH   TYR  42           HH       TYR  42   4.389   1.756   1.756
  268    H    ASN  43           HN       ASN  43   1.722   8.610   8.610
  269    HA   ASN  43           HA       ASN  43   1.523   8.953   8.953
  270   1HB   ASN  43          2HB       ASN  43   4.266   9.974   9.974
  271   2HB   ASN  43          3HB       ASN  43   3.957   9.725   9.725
  272   1HD2  ASN  43          2HD2      ASN  43   1.838  12.536  12.536
  273   2HD2  ASN  43          1HD2      ASN  43   2.630  11.192  11.192
  274    H    ASN  44           HN       ASN  44   4.961   8.292   8.292
  275    HA   ASN  44           HA       ASN  44   5.272   5.722   5.722
  276   1HB   ASN  44          2HB       ASN  44   4.304   4.795   4.795
  277   2HB   ASN  44          3HB       ASN  44   2.998   5.707   5.707
  278   1HD2  ASN  44          2HD2      ASN  44   4.650   6.748   6.748
  279   2HD2  ASN  44          1HD2      ASN  44   5.285   5.493   5.493
  280    H    TYR  45           HN       TYR  45   6.821   5.066   5.066
  281    HA   TYR  45           HA       TYR  45   7.770   6.967   6.967
  282   1HB   TYR  45          2HB       TYR  45   8.802   6.953   6.953
  283   2HB   TYR  45          3HB       TYR  45  10.057   6.958   6.958
  284    HD1  TYR  45           HD1      TYR  45   7.360   8.582   8.582
  285    HD2  TYR  45           HD2      TYR  45  10.340   9.189   9.189
  286    HE1  TYR  45           HE1      TYR  45   7.109  11.100  11.100
  287    HE2  TYR  45           HE2      TYR  45  10.079  11.705  11.705
  288    HH   TYR  45           HH       TYR  45   8.156  13.062  13.062
  289    H    GLU  46           HN       GLU  46   8.824   4.373   4.373
  290    HA   GLU  46           HA       GLU  46  10.859   3.332   3.332
  291   1HB   GLU  46          2HB       GLU  46   8.695   1.813   1.813
  292   2HB   GLU  46          3HB       GLU  46  10.239   1.128   1.128
  293   1HG   GLU  46          2HG       GLU  46  11.432   2.859   2.859
  294   2HG   GLU  46          3HG       GLU  46   9.904   3.604   3.604
  295    H    GLY  47           HN       GLY  47   7.535   3.503   3.503
  296   1HA   GLY  47          1HA       GLY  47   7.150   3.141   3.141
  297   2HA   GLY  47          2HA       GLY  47   8.121   1.686   1.686
  298    H    PHE  48           HN       PHE  48   5.389   3.090   3.090
  299    HA   PHE  48           HA       PHE  48   4.204   0.425   0.425
  300   1HB   PHE  48          2HB       PHE  48   3.735   3.069   3.069
  301   2HB   PHE  48          3HB       PHE  48   2.743   1.650   1.650
  302    HD1  PHE  48           HD2      PHE  48   3.750  -0.387  -0.387
  303    HD2  PHE  48           HD1      PHE  48   5.903   3.257   3.257
  304    HE1  PHE  48           HE2      PHE  48   5.383  -1.208  -1.208
  305    HE2  PHE  48           HE1      PHE  48   7.536   2.435   2.435
  306    HZ   PHE  48           HZ       PHE  48   7.257   0.212   0.212
  307    H    ASP  49           HN       ASP  49   2.224  -0.047  -0.047
  308    HA   ASP  49           HA       ASP  49   1.193   2.047   2.047
  309   1HB   ASP  49          2HB       ASP  49   0.046  -0.738  -0.738
  310   2HB   ASP  49          3HB       ASP  49   0.279   0.339   0.339
  311    H    PHE  50           HN       PHE  50   0.367   3.057   3.057
  312    HA   PHE  50           HA       PHE  50  -1.729   1.704   1.704
  313   1HB   PHE  50          2HB       PHE  50  -0.692   4.591   4.591
  314   2HB   PHE  50          3HB       PHE  50  -1.983   4.143   4.143
  315    HD1  PHE  50           HD1      PHE  50  -0.008   1.336   1.336
  316    HD2  PHE  50           HD2      PHE  50   0.074   5.327   5.327
  317    HE1  PHE  50           HE1      PHE  50   1.688   0.677   0.677
  318    HE2  PHE  50           HE2      PHE  50   1.770   4.668   4.668
  319    HZ   PHE  50           HZ       PHE  50   2.557   2.352   2.352
  320    H    SER  51           HN       SER  51  -3.481   1.162   1.162
  321    HA   SER  51           HA       SER  51  -4.453   2.974   2.974
  322   1HB   SER  51          2HB       SER  51  -6.268   1.324   1.324
  323   2HB   SER  51          3HB       SER  51  -4.706   0.533   0.533
  324    HG   SER  51           HG       SER  51  -6.313   0.830   0.830
  325    H    VAL  52           HN       VAL  52  -4.251   4.056   4.056
  326    HA   VAL  52           HA       VAL  52  -7.087   4.717   4.717
  327    HB   VAL  52           HB       VAL  52  -6.757   4.763   4.763
  328   1HG1  VAL  52          2HG1      VAL  52  -5.739   2.167   2.167
  329   2HG1  VAL  52          3HG1      VAL  52  -6.391   2.358   2.358
  330   3HG1  VAL  52          1HG1      VAL  52  -7.442   2.631   2.631
  331   1HG2  VAL  52          2HG2      VAL  52  -3.905   4.545   4.545
  332   2HG2  VAL  52          3HG2      VAL  52  -4.672   5.298   5.298
  333   3HG2  VAL  52          1HG2      VAL  52  -4.399   3.539   3.539
  334    H    SER  53           HN       SER  53  -7.410   6.895   6.895
  335    HA   SER  53           HA       SER  53  -5.506   8.688   8.688
  336   1HB   SER  53          2HB       SER  53  -8.004   8.971   8.971
  337   2HB   SER  53          3HB       SER  53  -8.108   9.299   9.299
  338    HG   SER  53           HG       SER  53  -6.387  10.825  10.825
  339    H    SER  54           HN       SER  54  -4.317  10.307  10.307
  340    HA   SER  54           HA       SER  54  -3.523   9.479   9.479
  341   1HB   SER  54          2HB       SER  54  -1.850  11.061  11.061
  342   2HB   SER  54          3HB       SER  54  -2.310  10.903  10.903
  343    HG   SER  54           HG       SER  54  -2.189  13.136  13.136
  344    HA   PRO  55           HA       PRO  55  -2.318  11.288  11.288
  345   1HB   PRO  55          2HB       PRO  55  -2.033  11.550  11.550
  346   2HB   PRO  55          3HB       PRO  55  -1.935  12.903  12.903
  347   1HG   PRO  55          2HG       PRO  55  -4.137  12.157  12.157
  348   2HG   PRO  55          3HG       PRO  55  -3.835  13.695  13.695
  349   1HD   PRO  55          2HD       PRO  55  -5.792  11.740  11.740
  350   2HD   PRO  55          3HD       PRO  55  -5.409  13.224  13.224
  351    H    TYR  56           HN       TYR  56  -0.829   9.661   9.661
  352    HA   TYR  56           HA       TYR  56  -2.384   7.241   7.241
  353   1HB   TYR  56          2HB       TYR  56   0.490   7.878   7.878
  354   2HB   TYR  56          3HB       TYR  56  -0.088   6.240   6.240
  355    HD1  TYR  56           HD1      TYR  56  -2.877   6.578   6.578
  356    HD2  TYR  56           HD2      TYR  56   0.966   7.850   7.850
  357    HE1  TYR  56           HE1      TYR  56  -3.718   6.531   6.531
  358    HE2  TYR  56           HE2      TYR  56   0.113   7.799   7.799
  359    HH   TYR  56           HH       TYR  56  -3.286   7.137   7.137
  360    H    TYR  57           HN       TYR  57  -2.522   6.575   6.575
  361    HA   TYR  57           HA       TYR  57  -0.443   7.472   7.472
  362   1HB   TYR  57          2HB       TYR  57  -3.160   6.054   6.054
  363   2HB   TYR  57          3HB       TYR  57  -2.211   6.713   6.713
  364    HD1  TYR  57           HD2      TYR  57  -1.464   9.211   9.211
  365    HD2  TYR  57           HD1      TYR  57  -5.065   7.440   7.440
  366    HE1  TYR  57           HE2      TYR  57  -2.670  11.435  11.435
  367    HE2  TYR  57           HE1      TYR  57  -6.257   9.670   9.670
  368    HH   TYR  57           HH       TYR  57  -4.507  12.578  12.578
  369    H    GLU  58           HN       GLU  58   0.906   6.068   6.068
  370    HA   GLU  58           HA       GLU  58   0.733   3.313   3.313
  371   1HB   GLU  58          2HB       GLU  58   3.116   3.153   3.153
  372   2HB   GLU  58          3HB       GLU  58   2.857   4.447   4.447
  373   1HG   GLU  58          2HG       GLU  58   4.246   5.427   5.427
  374   2HG   GLU  58          3HG       GLU  58   2.643   6.030   6.030
  375    H    TRP  59           HN       TRP  59   0.492   1.599   1.599
  376    HA   TRP  59           HA       TRP  59   0.724   2.155   2.155
  377   1HB   TRP  59          2HB       TRP  59  -1.515   2.810   2.810
  378   2HB   TRP  59          3HB       TRP  59  -1.882   1.526   1.526
  379    HD1  TRP  59           HD1      TRP  59  -2.566  -0.855  -0.855
  380    HE1  TRP  59           HE1      TRP  59  -3.147  -1.770  -1.770
  381    HE3  TRP  59           HE3      TRP  59  -0.797   3.181   3.181
  382    HZ2  TRP  59           HZ2      TRP  59  -2.808  -0.727  -0.727
  383    HZ3  TRP  59           HZ3      TRP  59  -0.960   3.154   3.154
  384    HH2  TRP  59           HH2      TRP  59  -1.923   1.287   1.287
  385    HA   PRO  60           HA       PRO  60   2.091  -1.959  -1.959
  386   1HB   PRO  60          2HB       PRO  60   2.037  -2.705  -2.705
  387   2HB   PRO  60          3HB       PRO  60   3.333  -1.755  -1.755
  388   1HG   PRO  60          2HG       PRO  60   1.136  -0.873  -0.873
  389   2HG   PRO  60          3HG       PRO  60   2.649  -0.064  -0.064
  390   1HD   PRO  60          2HD       PRO  60   0.062   0.585   0.585
  391   2HD   PRO  60          3HD       PRO  60   1.590   1.317   1.317
  392    H    ILE  61           HN       ILE  61   1.564  -4.223  -4.223
  393    HA   ILE  61           HA       ILE  61  -1.320  -4.532  -4.532
  394    HB   ILE  61           HB       ILE  61  -0.643  -4.488  -4.488
  395   1HG1  ILE  61          2HG1      ILE  61  -1.745  -7.183  -7.183
  396   2HG1  ILE  61          3HG1      ILE  61  -2.661  -5.703  -5.703
  397   1HG2  ILE  61          1HG2      ILE  61   1.403  -6.218  -6.218
  398   2HG2  ILE  61          2HG2      ILE  61   0.341  -7.185  -7.185
  399   3HG2  ILE  61          3HG2      ILE  61   1.061  -5.677  -5.677
  400   1HD1  ILE  61          3HD1      ILE  61  -2.175  -5.229  -5.229
  401   2HD1  ILE  61          1HD1      ILE  61  -1.636  -6.924  -6.924
  402   3HD1  ILE  61          2HD1      ILE  61  -3.316  -6.546  -6.546
  403    H    LEU  62           HN       LEU  62  -1.909  -6.117  -6.117
  404    HA   LEU  62           HA       LEU  62   0.276  -7.697  -7.697
  405   1HB   LEU  62          2HB       LEU  62  -2.475  -6.957  -6.957
  406   2HB   LEU  62          3HB       LEU  62  -1.521  -8.209  -8.209
  407    HG   LEU  62           HG       LEU  62  -0.595  -5.344  -5.344
  408   1HD1  LEU  62          2HD1      LEU  62  -1.867  -6.683  -6.683
  409   2HD1  LEU  62          3HD1      LEU  62  -1.095  -5.079  -5.079
  410   3HD1  LEU  62          1HD1      LEU  62  -2.552  -5.363  -5.363
  411   1HD2  LEU  62          1HD2      LEU  62   1.196  -7.049  -7.049
  412   2HD2  LEU  62          2HD2      LEU  62   1.155  -5.898  -5.898
  413   3HD2  LEU  62          3HD2      LEU  62   0.507  -7.543  -7.543
  414    H    SER  63           HN       SER  63   0.557  -9.792  -9.792
  415    HA   SER  63           HA       SER  63  -1.103 -10.964 -10.964
  416   1HB   SER  63          2HB       SER  63   0.859 -12.371 -12.371
  417   2HB   SER  63          3HB       SER  63   0.289 -12.961 -12.961
  418    HG   SER  63           HG       SER  63   1.438 -10.392 -10.392
  419    H    SER  64           HN       SER  64  -1.819 -10.290 -10.290
  420    HA   SER  64           HA       SER  64  -3.218 -12.800 -12.800
  421   1HB   SER  64          2HB       SER  64  -2.155 -10.639 -10.639
  422   2HB   SER  64          3HB       SER  64  -3.637 -11.413 -11.413
  423    HG   SER  64           HG       SER  64  -2.445 -13.045 -13.045
  424    H    GLY  65           HN       GLY  65  -3.655  -9.703  -9.703
  425   1HA   GLY  65          1HA       GLY  65  -5.532  -8.715  -8.715
  426   2HA   GLY  65          2HA       GLY  65  -6.501 -10.007 -10.007
  427    H    ASP  66           HN       ASP  66  -4.158  -7.851  -7.851
  428    HA   ASP  66           HA       ASP  66  -6.451  -6.852  -6.852
  429   1HB   ASP  66          2HB       ASP  66  -3.604  -7.464  -7.464
  430   2HB   ASP  66          3HB       ASP  66  -4.721  -6.528  -6.528
  431    H    VAL  67           HN       VAL  67  -5.005  -4.844  -4.844
  432    HA   VAL  67           HA       VAL  67  -4.166  -3.087  -3.087
  433    HB   VAL  67           HB       VAL  67  -5.575  -2.614  -2.614
  434   1HG1  VAL  67          1HG1      VAL  67  -4.218  -0.527  -0.527
  435   2HG1  VAL  67          2HG1      VAL  67  -5.348  -0.179  -0.179
  436   3HG1  VAL  67          3HG1      VAL  67  -3.788  -0.964  -0.964
  437   1HG2  VAL  67          2HG2      VAL  67  -6.256  -2.534  -2.534
  438   2HG2  VAL  67          3HG2      VAL  67  -7.300  -2.747  -2.747
  439   3HG2  VAL  67          1HG2      VAL  67  -6.806  -1.114  -1.114
  440    H    TYR  68           HN       TYR  68  -2.054  -2.522  -2.522
  441    HA   TYR  68           HA       TYR  68  -0.279  -3.450  -3.450
  442   1HB   TYR  68          2HB       TYR  68  -0.343  -2.346  -2.346
  443   2HB   TYR  68          3HB       TYR  68   0.858  -1.468  -1.468
  444    HD1  TYR  68           HD2      TYR  68   2.236  -3.311  -3.311
  445    HD2  TYR  68           HD1      TYR  68   0.591  -3.996  -3.996
  446    HE1  TYR  68           HE2      TYR  68   3.899  -5.195  -5.195
  447    HE2  TYR  68           HE1      TYR  68   2.261  -5.878  -5.878
  448    HH   TYR  68           HH       TYR  68   4.181  -6.748  -6.748
  449    H    SER  69           HN       SER  69   0.786  -2.332  -2.332
  450    HA   SER  69           HA       SER  69   0.663   0.516   0.516
  451   1HB   SER  69          2HB       SER  69  -0.534   0.770   0.770
  452   2HB   SER  69          3HB       SER  69  -1.546  -0.151  -0.151
  453    HG   SER  69           HG       SER  69  -1.271  -1.981  -1.981
  454    H    GLY  70           HN       GLY  70   2.986  -0.508  -0.508
  455   1HA   GLY  70          1HA       GLY  70   4.177  -0.653  -0.653
  456   2HA   GLY  70          2HA       GLY  70   4.557  -1.877  -1.877
  457    H    GLY  71           HN       GLY  71   4.991  -0.703  -0.703
  458   1HA   GLY  71          1HA       GLY  71   5.958   1.499   1.499
  459   2HA   GLY  71          2HA       GLY  71   7.087   1.300   1.300
  460    H    SER  72           HN       SER  72   6.889  -1.794  -1.794
  461    HA   SER  72           HA       SER  72   8.667  -1.752  -1.752
  462   1HB   SER  72          2HB       SER  72   9.963  -2.186  -2.186
  463   2HB   SER  72          3HB       SER  72   8.830  -3.413  -3.413
  464    HG   SER  72           HG       SER  72  10.963  -4.009  -4.009
  465    HA   PRO  73           HA       PRO  73   5.120  -4.590  -4.590
  466   1HB   PRO  73          2HB       PRO  73   3.991  -3.363  -3.363
  467   2HB   PRO  73          3HB       PRO  73   3.439  -3.105  -3.105
  468   1HG   PRO  73          2HG       PRO  73   5.042  -1.312  -1.312
  469   2HG   PRO  73          3HG       PRO  73   4.132  -0.923  -0.923
  470   1HD   PRO  73          2HD       PRO  73   6.978  -1.221  -1.221
  471   2HD   PRO  73          3HD       PRO  73   6.059  -0.947  -0.947
  472    H    GLY  74           HN       GLY  74   7.712  -5.154  -5.154
  473   1HA   GLY  74          1HA       GLY  74   8.983  -6.393  -6.393
  474   2HA   GLY  74          2HA       GLY  74   7.506  -6.886  -6.886
  475    H    ALA  75           HN       ALA  75   7.198  -6.262  -6.262
  476    HA   ALA  75           HA       ALA  75   8.501  -3.811  -3.811
  477   1HB   ALA  75          3HB       ALA  75   9.990  -5.863  -5.863
  478   2HB   ALA  75          1HB       ALA  75   8.752  -6.412  -6.412
  479   3HB   ALA  75          2HB       ALA  75   9.608  -4.877  -4.877
  480    H    ASP  76           HN       ASP  76   6.094  -6.411  -6.411
  481    HA   ASP  76           HA       ASP  76   4.897  -5.568  -5.568
  482   1HB   ASP  76          2HB       ASP  76   3.271  -6.661  -6.661
  483   2HB   ASP  76          3HB       ASP  76   3.115  -7.014  -7.014
  484    H    ARG  77           HN       ARG  77   3.567  -3.783  -3.783
  485    HA   ARG  77           HA       ARG  77   2.128  -2.624  -2.624
  486   1HB   ARG  77          2HB       ARG  77   3.836  -0.815  -0.815
  487   2HB   ARG  77          3HB       ARG  77   3.004  -0.386  -0.386
  488   1HG   ARG  77          2HG       ARG  77   4.991  -2.611  -2.611
  489   2HG   ARG  77          3HG       ARG  77   5.666  -1.034  -1.034
  490   1HD   ARG  77          2HD       ARG  77   3.869  -0.371  -0.371
  491   2HD   ARG  77          3HD       ARG  77   4.314  -1.991  -1.991
  492    HE   ARG  77           HE       ARG  77   6.131   0.349   0.349
  493   1HH1  ARG  77           HH2      ARG  77   5.747  -3.091  -3.091
  494   2HH1  ARG  77           HH2      ARG  77   7.272  -3.241  -3.241
  495   1HH2  ARG  77           HH1      ARG  77   8.143   0.151   0.151
  496   2HH2  ARG  77           HH1      ARG  77   8.644  -1.385  -1.385
  497    H    VAL  78           HN       VAL  78   0.256  -1.410  -1.410
  498    HA   VAL  78           HA       VAL  78  -0.306  -1.804  -1.804
  499    HB   VAL  78           HB       VAL  78  -2.693  -1.215  -1.215
  500   1HG1  VAL  78          1HG1      VAL  78  -1.317  -3.907  -3.907
  501   2HG1  VAL  78          2HG1      VAL  78  -3.057  -3.709  -3.709
  502   3HG1  VAL  78          3HG1      VAL  78  -2.358  -3.102  -3.102
  503   1HG2  VAL  78          1HG2      VAL  78  -1.792  -1.045  -1.045
  504   2HG2  VAL  78          2HG2      VAL  78  -2.890  -2.438  -2.438
  505   3HG2  VAL  78          3HG2      VAL  78  -1.128  -2.691  -2.691
  506    H    VAL  79           HN       VAL  79  -0.873  -0.073  -0.073
  507    HA   VAL  79           HA       VAL  79  -0.661   2.553   2.553
  508    HB   VAL  79           HB       VAL  79   0.107   1.612   1.612
  509   1HG1  VAL  79          2HG1      VAL  79  -0.956   4.081   4.081
  510   2HG1  VAL  79          3HG1      VAL  79   0.784   4.380   4.380
  511   3HG1  VAL  79          1HG1      VAL  79   0.192   3.724   3.724
  512   1HG2  VAL  79          3HG2      VAL  79   1.663   1.141   1.141
  513   2HG2  VAL  79          1HG2      VAL  79   2.356   2.126   2.126
  514   3HG2  VAL  79          2HG2      VAL  79   1.828   2.902   2.902
  515    H    PHE  80           HN       PHE  80  -2.282   4.066   4.066
  516    HA   PHE  80           HA       PHE  80  -4.313   3.451   3.451
  517   1HB   PHE  80          2HB       PHE  80  -6.088   3.555   3.555
  518   2HB   PHE  80          3HB       PHE  80  -4.939   2.316   2.316
  519    HD1  PHE  80           HD2      PHE  80  -2.938   3.242   3.242
  520    HD2  PHE  80           HD1      PHE  80  -6.769   5.032   5.032
  521    HE1  PHE  80           HE2      PHE  80  -2.622   4.367   4.367
  522    HE2  PHE  80           HE1      PHE  80  -6.453   6.156   6.156
  523    HZ   PHE  80           HZ       PHE  80  -4.382   5.811   5.811
  524    H    ASN  81           HN       ASN  81  -6.234   5.351   5.351
  525    HA   ASN  81           HA       ASN  81  -4.655   7.790   7.790
  526   1HB   ASN  81          2HB       ASN  81  -7.212   7.822   7.822
  527   2HB   ASN  81          3HB       ASN  81  -5.737   8.731   8.731
  528   1HD2  ASN  81          2HD2      ASN  81  -6.163   4.865   4.865
  529   2HD2  ASN  81          1HD2      ASN  81  -7.101   5.461   5.461
  530    H    GLU  82           HN       GLU  82  -6.740   9.661   9.661
  531    HA   GLU  82           HA       GLU  82  -7.965   8.969   8.969
  532   1HB   GLU  82          2HB       GLU  82  -6.956  11.149  11.149
  533   2HB   GLU  82          3HB       GLU  82  -7.748  11.541  11.541
  534   1HG   GLU  82          2HG       GLU  82  -8.743  12.541  12.541
  535   2HG   GLU  82          3HG       GLU  82  -9.856  11.864  11.864
  536    H    ASN  83           HN       ASN  83  -8.760   7.919   7.919
  537    HA   ASN  83           HA       ASN  83 -11.515   8.835   8.835
  538   1HB   ASN  83          2HB       ASN  83 -11.201   7.155   7.155
  539   2HB   ASN  83          3HB       ASN  83 -11.186   8.907   8.907
  540   1HD2  ASN  83          2HD2      ASN  83  -7.809   6.688   6.688
  541   2HD2  ASN  83          1HD2      ASN  83  -9.362   6.009   6.009
  542    H    ASN  84           HN       ASN  84  -9.313   6.145   6.145
  543    HA   ASN  84           HA       ASN  84  -9.982   4.423   4.423
  544   1HB   ASN  84          2HB       ASN  84 -12.181   3.513   3.513
  545   2HB   ASN  84          3HB       ASN  84 -12.472   5.215   5.215
  546   1HD2  ASN  84          2HD2      ASN  84 -12.553   4.227   4.227
  547   2HD2  ASN  84          1HD2      ASN  84 -11.307   4.929   4.929
  548    H    GLN  85           HN       GLN  85  -8.755   4.886   4.886
  549    HA   GLN  85           HA       GLN  85  -9.311   2.281   2.281
  550   1HB   GLN  85          2HB       GLN  85  -8.054   4.792   4.792
  551   2HB   GLN  85          3HB       GLN  85  -8.143   3.261   3.261
  552   1HG   GLN  85          2HG       GLN  85 -10.590   3.278   3.278
  553   2HG   GLN  85          3HG       GLN  85 -10.598   4.674   4.674
  554   1HE2  GLN  85          2HE2      GLN  85 -10.175   7.100   7.100
  555   2HE2  GLN  85          1HE2      GLN  85 -10.244   6.701   6.701
  556    H    LEU  86           HN       LEU  86  -7.691   0.726   0.726
  557    HA   LEU  86           HA       LEU  86  -5.276   1.305   1.305
  558   1HB   LEU  86          2HB       LEU  86  -5.388  -0.811  -0.811
  559   2HB   LEU  86          3HB       LEU  86  -6.951  -0.874  -0.874
  560    HG   LEU  86           HG       LEU  86  -5.109  -1.298  -1.298
  561   1HD1  LEU  86          2HD1      LEU  86  -3.819  -1.937  -1.937
  562   2HD1  LEU  86          3HD1      LEU  86  -4.259  -3.477  -3.477
  563   3HD1  LEU  86          1HD1      LEU  86  -3.281  -2.284  -2.284
  564   1HD2  LEU  86          3HD2      LEU  86  -7.382  -2.515  -2.515
  565   2HD2  LEU  86          1HD2      LEU  86  -6.598  -2.886  -2.886
  566   3HD2  LEU  86          2HD2      LEU  86  -6.136  -3.784  -3.784
  567    H    ALA  87           HN       ALA  87  -3.281   1.639   1.639
  568    HA   ALA  87           HA       ALA  87  -3.143   2.025   2.025
  569   1HB   ALA  87          1HB       ALA  87  -1.794   2.926   2.926
  570   2HB   ALA  87          2HB       ALA  87  -0.582   2.010   2.010
  571   3HB   ALA  87          3HB       ALA  87  -1.448   3.366   3.366
  572    H    GLY  88           HN       GLY  88  -2.153  -0.474  -0.474
  573   1HA   GLY  88          1HA       GLY  88  -2.178  -2.621  -2.621
  574   2HA   GLY  88          2HA       GLY  88  -0.601  -1.935  -1.935
  575    H    VAL  89           HN       VAL  89   0.769  -3.394  -3.394
  576    HA   VAL  89           HA       VAL  89   0.666  -3.368  -3.368
  577    HB   VAL  89           HB       VAL  89   0.370  -5.840  -5.840
  578   1HG1  VAL  89          3HG1      VAL  89   2.184  -5.663  -5.663
  579   2HG1  VAL  89          1HG1      VAL  89   0.726  -6.312  -6.312
  580   3HG1  VAL  89          2HG1      VAL  89   1.431  -7.157  -7.157
  581   1HG2  VAL  89          2HG2      VAL  89  -1.154  -4.680  -4.680
  582   2HG2  VAL  89          3HG2      VAL  89  -1.728  -4.916  -4.916
  583   3HG2  VAL  89          1HG2      VAL  89  -1.412  -6.325  -6.325
  584    H    ILE  90           HN       ILE  90   2.608  -2.276  -2.276
  585    HA   ILE  90           HA       ILE  90   4.812  -3.118  -3.118
  586    HB   ILE  90           HB       ILE  90   5.989  -1.262  -1.262
  587   1HG1  ILE  90          2HG1      ILE  90   3.806  -1.416  -1.416
  588   2HG1  ILE  90          3HG1      ILE  90   5.499  -1.010  -1.010
  589   1HG2  ILE  90          3HG2      ILE  90   4.069  -1.058  -1.058
  590   2HG2  ILE  90          1HG2      ILE  90   3.282  -0.107  -0.107
  591   3HG2  ILE  90          2HG2      ILE  90   4.878   0.381   0.381
  592   1HD1  ILE  90          1HD1      ILE  90   4.175   0.995   0.995
  593   2HD1  ILE  90          2HD1      ILE  90   3.324   0.793   0.793
  594   3HD1  ILE  90          3HD1      ILE  90   5.055   1.209   1.209
  595    H    THR  91           HN       THR  91   6.981  -3.588  -3.588
  596    HA   THR  91           HA       THR  91   7.023  -4.536  -4.536
  597    HB   THR  91           HB       THR  91   5.735  -6.416  -6.416
  598    HG1  THR  91           HG1      THR  91   7.782  -6.918  -6.918
  599   1HG2  THR  91          2HG2      THR  91   7.719  -6.562  -6.562
  600   2HG2  THR  91          3HG2      THR  91   6.424  -7.737  -7.737
  601   3HG2  THR  91          1HG2      THR  91   6.014  -6.069  -6.069
  602    H    HIS  92           HN       HIS  92   9.154  -5.559  -5.559
  603    HA   HIS  92           HA       HIS  92  11.159  -4.209  -4.209
  604   1HB   HIS  92          2HB       HIS  92  11.200  -5.448  -5.448
  605   2HB   HIS  92          3HB       HIS  92  12.640  -4.843  -4.843
  606    HD1  HIS  92           HD1      HIS  92  13.100  -2.842  -2.842
  607    HD2  HIS  92           HD2      HIS  92   9.198  -2.875  -2.875
  608    HE1  HIS  92           HE1      HIS  92  12.072  -0.587  -0.587
  609    HE2  HIS  92           HE2      HIS  92   9.695  -0.645  -0.645
  610    H    THR  93           HN       THR  93   9.631  -7.198  -7.198
  611    HA   THR  93           HA       THR  93  11.803  -8.976  -8.976
  612    HB   THR  93           HB       THR  93   8.847  -8.929  -8.929
  613    HG1  THR  93           HG1      THR  93  10.911 -10.637 -10.637
  614   1HG2  THR  93          3HG2      THR  93   9.922 -10.057 -10.057
  615   2HG2  THR  93          1HG2      THR  93  10.602 -11.250 -11.250
  616   3HG2  THR  93          2HG2      THR  93   8.837 -11.086 -11.086
  617    H    GLY  94           HN       GLY  94  10.571  -6.547  -6.547
  618   1HA   GLY  94          1HA       GLY  94  12.362  -7.618  -7.618
  619   2HA   GLY  94          2HA       GLY  94  10.754  -7.035  -7.035
  620    H    ALA  95           HN       ALA  95  13.005  -5.666  -5.666
  621    HA   ALA  95           HA       ALA  95  13.276  -3.299  -3.299
  622   1HB   ALA  95          3HB       ALA  95  11.575  -3.184  -3.184
  623   2HB   ALA  95          1HB       ALA  95  13.025  -3.125  -3.125
  624   3HB   ALA  95          2HB       ALA  95  12.752  -1.864  -1.864
  625    H    SER  96           HN       SER  96  14.518  -5.243  -5.243
  626    HA   SER  96           HA       SER  96  16.561  -5.800  -5.800
  627   1HB   SER  96          2HB       SER  96  16.989  -5.785  -5.785
  628   2HB   SER  96          3HB       SER  96  17.645  -4.172  -4.172
  629    HG   SER  96           HG       SER  96  18.931  -6.492  -6.492
  630    H    GLY  97           HN       GLY  97  15.471  -3.893  -3.893
  631   1HA   GLY  97          1HA       GLY  97  17.277  -2.615  -2.615
  632   2HA   GLY  97          2HA       GLY  97  17.196  -1.530  -1.530
  633    H    ASN  98           HN       ASN  98  16.087   0.255   0.255
  634    HA   ASN  98           HA       ASN  98  13.788  -0.196  -0.196
  635   1HB   ASN  98          2HB       ASN  98  15.626   1.676   1.676
  636   2HB   ASN  98          3HB       ASN  98  14.777   2.506   2.506
  637   1HD2  ASN  98          2HD2      ASN  98  11.682   2.054   2.054
  638   2HD2  ASN  98          1HD2      ASN  98  12.246   1.097   1.097
  639    H    ASN  99           HN       ASN  99  14.603   0.093   0.093
  640    HA   ASN  99           HA       ASN  99  12.577   1.710   1.710
  641   1HB   ASN  99          2HB       ASN  99  12.968  -0.139  -0.139
  642   2HB   ASN  99          3HB       ASN  99  13.977   1.270   1.270
  643   1HD2  ASN  99          2HD2      ASN  99  15.335  -2.088  -2.088
  644   2HD2  ASN  99          1HD2      ASN  99  13.729  -1.472  -1.472
  645    H    PHE 100           HN       PHE 100  10.622   0.896   0.896
  646    HA   PHE 100           HA       PHE 100   9.562  -1.574  -1.574
  647   1HB   PHE 100          2HB       PHE 100   8.441   1.208   1.208
  648   2HB   PHE 100          3HB       PHE 100   7.334  -0.149  -0.149
  649    HD1  PHE 100           HD2      PHE 100   7.640  -1.812  -1.812
  650    HD2  PHE 100           HD1      PHE 100   8.559   2.330   2.330
  651    HE1  PHE 100           HE2      PHE 100   7.384  -1.721  -1.721
  652    HE2  PHE 100           HE1      PHE 100   8.302   2.422   2.422
  653    HZ   PHE 100           HZ       PHE 100   7.717   0.394   0.394
  654    H    VAL 101           HN       VAL 101   7.738  -2.549  -2.549
  655    HA   VAL 101           HA       VAL 101   7.653  -1.845  -1.845
  656    HB   VAL 101           HB       VAL 101   8.615  -3.969  -3.969
  657   1HG1  VAL 101          1HG1      VAL 101   9.865  -1.734  -1.734
  658   2HG1  VAL 101          2HG1      VAL 101  10.718  -2.454  -2.454
  659   3HG1  VAL 101          3HG1      VAL 101  10.845  -3.203  -3.203
  660   1HG2  VAL 101          1HG2      VAL 101   8.458  -4.915  -4.915
  661   2HG2  VAL 101          2HG2      VAL 101   9.598  -5.557  -5.557
  662   3HG2  VAL 101          3HG2      VAL 101  10.156  -4.379  -4.379
  663    H    GLU 102           HN       GLU 102   5.742  -2.583  -2.583
  664    HA   GLU 102           HA       GLU 102   3.845  -3.591  -3.591
  665   1HB   GLU 102          2HB       GLU 102   2.830  -4.260  -4.260
  666   2HB   GLU 102          3HB       GLU 102   2.766  -2.647  -2.647
  667   1HG   GLU 102          2HG       GLU 102   4.609  -1.881  -1.881
  668   2HG   GLU 102          3HG       GLU 102   5.221  -3.500  -3.500
  669    H    CYS 103           HN       CYS 103   3.470  -5.610  -5.610
  670    HA   CYS 103           HA       CYS 103   5.128  -7.732  -7.732
  671   1HB   CYS 103          2HB       CYS 103   2.270  -7.819  -7.819
  672   2HB   CYS 103          3HB       CYS 103   3.444  -9.112  -9.112
  673    H    THR 104           HN       THR 104   3.533  -9.997  -9.997
  674    HA   THR 104           HA       THR 104   2.758  -9.453  -9.453
  675    HB   THR 104           HB       THR 104   3.561 -11.763 -11.763
  676    HG1  THR 104           HG1      THR 104   3.677 -13.031 -13.031
  677   1HG2  THR 104          3HG2      THR 104   5.257  -9.641  -9.641
  678   2HG2  THR 104          1HG2      THR 104   5.810 -10.921 -10.921
  679   3HG2  THR 104          2HG2      THR 104   5.794 -11.208 -11.208

  Start of MODEL    9
    1    H    ALA   1           HN       ALA   1  -9.776 -14.341 -14.341
    2    HA   ALA   1           HA       ALA   1  -7.959 -16.334 -16.334
    3   1HB   ALA   1          1HB       ALA   1  -9.662 -14.524 -14.524
    4   2HB   ALA   1          2HB       ALA   1  -8.088 -13.694 -13.694
    5   3HB   ALA   1          3HB       ALA   1  -8.255 -15.317 -15.317
    6    H    CYS   2           HN       CYS   2  -6.130 -14.266 -14.266
    7    HA   CYS   2           HA       CYS   2  -5.278 -12.728 -12.728
    8   1HB   CYS   2          2HB       CYS   2  -2.979 -14.306 -14.306
    9   2HB   CYS   2          3HB       CYS   2  -3.913 -14.106 -14.106
   10    H    ASP   3           HN       ASP   3  -5.642 -11.257 -11.257
   11    HA   ASP   3           HA       ASP   3  -4.225 -11.571 -11.571
   12   1HB   ASP   3          2HB       ASP   3  -5.688  -9.365  -9.365
   13   2HB   ASP   3          3HB       ASP   3  -4.544  -8.851  -8.851
   14    H    TYR   4           HN       TYR   4  -3.306 -10.599 -10.599
   15    HA   TYR   4           HA       TYR   4  -0.751  -9.565  -9.565
   16   1HB   TYR   4          2HB       TYR   4  -2.329  -8.932  -8.932
   17   2HB   TYR   4          3HB       TYR   4  -0.807  -8.183  -8.183
   18    HD1  TYR   4           HD2      TYR   4  -0.725  -6.709  -6.709
   19    HD2  TYR   4           HD1      TYR   4  -4.392  -8.058  -8.058
   20    HE1  TYR   4           HE2      TYR   4  -1.988  -4.872  -4.872
   21    HE2  TYR   4           HE1      TYR   4  -5.643  -6.215  -6.215
   22    HH   TYR   4           HH       TYR   4  -4.757  -4.789  -4.789
   23    H    THR   5           HN       THR   5   1.156 -10.238 -10.238
   24    HA   THR   5           HA       THR   5   0.927 -11.976 -11.976
   25    HB   THR   5           HB       THR   5   1.242 -12.972 -12.972
   26    HG1  THR   5           HG1      THR   5   0.841 -14.292 -14.292
   27   1HG2  THR   5          3HG2      THR   5   3.199 -13.628 -13.628
   28   2HG2  THR   5          1HG2      THR   5   2.563 -14.971 -14.971
   29   3HG2  THR   5          2HG2      THR   5   3.449 -13.641 -13.641
   30    H    CYS   6           HN       CYS   6   2.303 -10.901 -10.901
   31    HA   CYS   6           HA       CYS   6   4.634  -9.683  -9.683
   32   1HB   CYS   6          2HB       CYS   6   3.411  -9.809  -9.809
   33   2HB   CYS   6          3HB       CYS   6   5.070  -9.280  -9.280
   34    H    GLY   7           HN       GLY   7   5.124 -12.086 -12.086
   35   1HA   GLY   7          1HA       GLY   7   6.667 -13.730 -13.730
   36   2HA   GLY   7          2HA       GLY   7   7.328 -13.036 -13.036
   37    H    SER   8           HN       SER   8   5.410 -13.184 -13.184
   38    HA   SER   8           HA       SER   8   4.539 -15.962 -15.962
   39   1HB   SER   8          2HB       SER   8   5.299 -16.362 -16.362
   40   2HB   SER   8          3HB       SER   8   6.627 -15.524 -15.524
   41    HG   SER   8           HG       SER   8   4.637 -14.343 -14.343
   42    H    ASN   9           HN       ASN   9   2.734 -14.165 -14.165
   43    HA   ASN   9           HA       ASN   9   1.015 -13.905 -13.905
   44   1HB   ASN   9          2HB       ASN   9   1.325 -11.729 -11.729
   45   2HB   ASN   9          3HB       ASN   9   0.277 -11.653 -11.653
   46   1HD2  ASN   9          2HD2      ASN   9   4.396 -11.537 -11.537
   47   2HD2  ASN   9          1HD2      ASN   9   3.674 -12.497 -12.497
   48    H    CYS  10           HN       CYS  10  -1.279 -12.908 -12.908
   49    HA   CYS  10           HA       CYS  10  -1.785 -13.741 -13.741
   50   1HB   CYS  10          2HB       CYS  10  -1.470 -15.973 -15.973
   51   2HB   CYS  10          3HB       CYS  10  -3.184 -15.690 -15.690
   52    H    TYR  11           HN       TYR  11  -2.483 -11.431 -11.431
   53    HA   TYR  11           HA       TYR  11  -5.259 -11.636 -11.636
   54   1HB   TYR  11          2HB       TYR  11  -4.445  -9.163  -9.163
   55   2HB   TYR  11          3HB       TYR  11  -4.224 -10.581 -10.581
   56    HD1  TYR  11           HD2      TYR  11  -2.293  -9.602  -9.602
   57    HD2  TYR  11           HD1      TYR  11  -2.261 -10.099 -10.099
   58    HE1  TYR  11           HE2      TYR  11   0.215  -9.191  -9.191
   59    HE2  TYR  11           HE1      TYR  11   0.247  -9.687  -9.687
   60    HH   TYR  11           HH       TYR  11   1.866  -8.353  -8.353
   61    H    SER  12           HN       SER  12  -6.323 -11.365 -11.365
   62    HA   SER  12           HA       SER  12  -5.380  -9.750  -9.750
   63   1HB   SER  12          2HB       SER  12  -7.573 -11.484 -11.484
   64   2HB   SER  12          3HB       SER  12  -8.300  -9.946  -9.946
   65    HG   SER  12           HG       SER  12  -7.588 -10.116 -10.116
   66    H    SER  13           HN       SER  13  -7.242  -7.956  -7.956
   67    HA   SER  13           HA       SER  13  -6.746  -5.742  -5.742
   68   1HB   SER  13          2HB       SER  13  -8.398  -4.608  -4.608
   69   2HB   SER  13          3HB       SER  13  -7.433  -5.707  -5.707
   70    HG   SER  13           HG       SER  13  -9.931  -6.583  -6.583
   71    H    SER  14           HN       SER  14  -8.957  -8.326  -8.326
   72    HA   SER  14           HA       SER  14 -10.854  -6.733  -6.733
   73   1HB   SER  14          2HB       SER  14 -11.534  -8.800  -8.800
   74   2HB   SER  14          3HB       SER  14 -10.479  -9.757  -9.757
   75    HG   SER  14           HG       SER  14 -12.690  -8.155  -8.155
   76    H    ASP  15           HN       ASP  15  -7.921  -8.634  -8.634
   77    HA   ASP  15           HA       ASP  15  -8.400  -8.700  -8.700
   78   1HB   ASP  15          2HB       ASP  15  -6.264  -9.603  -9.603
   79   2HB   ASP  15          3HB       ASP  15  -5.735  -9.273  -9.273
   80    H    VAL  16           HN       VAL  16  -6.504  -6.822  -6.822
   81    HA   VAL  16           HA       VAL  16  -4.855  -5.430  -5.430
   82    HB   VAL  16           HB       VAL  16  -6.024  -4.736  -4.736
   83   1HG1  VAL  16          2HG1      VAL  16  -4.320  -3.149  -3.149
   84   2HG1  VAL  16          3HG1      VAL  16  -3.737  -3.265  -3.265
   85   3HG1  VAL  16          1HG1      VAL  16  -5.366  -2.629  -2.629
   86   1HG2  VAL  16          2HG2      VAL  16  -3.431  -5.995  -5.995
   87   2HG2  VAL  16          3HG2      VAL  16  -4.646  -6.645  -6.645
   88   3HG2  VAL  16          1HG2      VAL  16  -3.621  -5.273  -5.273
   89    H    SER  17           HN       SER  17  -8.085  -4.515  -4.515
   90    HA   SER  17           HA       SER  17  -8.458  -2.119  -2.119
   91   1HB   SER  17          2HB       SER  17 -10.135  -3.663  -3.663
   92   2HB   SER  17          3HB       SER  17 -10.559  -4.289  -4.289
   93    HG   SER  17           HG       SER  17 -11.120  -2.085  -2.085
   94    H    THR  18           HN       THR  18  -9.006  -5.160  -5.160
   95    HA   THR  18           HA       THR  18  -9.792  -4.082  -4.082
   96    HB   THR  18           HB       THR  18  -8.239  -6.516  -6.516
   97    HG1  THR  18           HG1      THR  18 -10.661  -5.779  -5.779
   98   1HG2  THR  18          1HG2      THR  18  -8.288  -5.394  -5.394
   99   2HG2  THR  18          2HG2      THR  18  -8.820  -7.086  -7.086
  100   3HG2  THR  18          3HG2      THR  18  -7.198  -6.610  -6.610
  101    H    ALA  19           HN       ALA  19  -6.368  -4.547  -4.547
  102    HA   ALA  19           HA       ALA  19  -5.246  -3.456  -3.456
  103   1HB   ALA  19          1HB       ALA  19  -4.397  -4.148  -4.148
  104   2HB   ALA  19          2HB       ALA  19  -3.380  -2.966  -2.966
  105   3HB   ALA  19          3HB       ALA  19  -3.662  -4.575  -4.575
  106    H    GLN  20           HN       GLN  20  -6.326  -1.999  -1.999
  107    HA   GLN  20           HA       GLN  20  -5.291   0.510   0.510
  108   1HB   GLN  20          2HB       GLN  20  -7.926   0.017   0.017
  109   2HB   GLN  20          3HB       GLN  20  -6.720   1.237   1.237
  110   1HG   GLN  20          2HG       GLN  20  -5.124  -0.482  -0.482
  111   2HG   GLN  20          3HG       GLN  20  -6.213  -1.763  -1.763
  112   1HE2  GLN  20          2HE2      GLN  20  -7.511   0.680   0.680
  113   2HE2  GLN  20          1HE2      GLN  20  -6.791   1.329   1.329
  114    H    ALA  21           HN       ALA  21  -8.667  -0.706  -0.706
  115    HA   ALA  21           HA       ALA  21  -9.880   1.414   1.414
  116   1HB   ALA  21          1HB       ALA  21  -9.918  -1.490  -1.490
  117   2HB   ALA  21          2HB       ALA  21 -10.575  -0.499  -0.499
  118   3HB   ALA  21          3HB       ALA  21 -11.263  -0.367  -0.367
  119    H    ALA  22           HN       ALA  22  -7.195  -0.380  -0.380
  120    HA   ALA  22           HA       ALA  22  -7.424   0.960   0.960
  121   1HB   ALA  22          3HB       ALA  22  -6.343  -1.292  -1.292
  122   2HB   ALA  22          1HB       ALA  22  -4.987  -0.404  -0.404
  123   3HB   ALA  22          2HB       ALA  22  -5.372  -0.175  -0.175
  124    H    GLY  23           HN       GLY  23  -5.104   1.255   1.255
  125   1HA   GLY  23          1HA       GLY  23  -3.691   3.448   3.448
  126   2HA   GLY  23          2HA       GLY  23  -3.910   3.007   3.007
  127    H    TYR  24           HN       TYR  24  -6.743   3.290   3.290
  128    HA   TYR  24           HA       TYR  24  -6.921   6.050   6.050
  129   1HB   TYR  24          2HB       TYR  24  -8.165   3.778   3.778
  130   2HB   TYR  24          3HB       TYR  24  -9.300   4.187   4.187
  131    HD1  TYR  24           HD2      TYR  24  -7.815   5.369   5.369
  132    HD2  TYR  24           HD1      TYR  24 -10.892   5.957   5.957
  133    HE1  TYR  24           HE2      TYR  24  -9.008   6.971   6.971
  134    HE2  TYR  24           HE1      TYR  24 -12.075   7.556   7.556
  135    HH   TYR  24           HH       TYR  24 -12.189   7.938   7.938
  136    H    LYS  25           HN       LYS  25  -8.849   3.989   3.989
  137    HA   LYS  25           HA       LYS  25 -10.205   5.894   5.894
  138   1HB   LYS  25          2HB       LYS  25 -10.389   3.482   3.482
  139   2HB   LYS  25          3HB       LYS  25  -8.845   3.490   3.490
  140   1HG   LYS  25          2HG       LYS  25 -10.550   3.619   3.619
  141   2HG   LYS  25          3HG       LYS  25  -9.798   5.200   5.200
  142   1HD   LYS  25          2HD       LYS  25 -11.647   6.105   6.105
  143   2HD   LYS  25          3HD       LYS  25 -12.337   4.513   4.513
  144   1HE   LYS  25          2HE       LYS  25 -13.590   5.668   5.668
  145   2HE   LYS  25          3HE       LYS  25 -12.729   4.316   4.316
  146   1HZ   LYS  25          3HZ       LYS  25 -11.271   6.786   6.786
  147   2HZ   LYS  25          1HZ       LYS  25 -12.591   6.791   6.791
  148   3HZ   LYS  25          2HZ       LYS  25 -11.414   5.683   5.683
  149    H    LEU  26           HN       LEU  26  -6.921   4.761   4.761
  150    HA   LEU  26           HA       LEU  26  -6.599   6.770   6.770
  151   1HB   LEU  26          2HB       LEU  26  -5.299   4.753   4.753
  152   2HB   LEU  26          3HB       LEU  26  -4.602   5.124   5.124
  153    HG   LEU  26           HG       LEU  26  -3.845   7.331   7.331
  154   1HD1  LEU  26          1HD1      LEU  26  -4.814   6.462   6.462
  155   2HD1  LEU  26          2HD1      LEU  26  -3.760   5.033   5.033
  156   3HD1  LEU  26          3HD1      LEU  26  -3.047   6.649   6.649
  157   1HD2  LEU  26          3HD2      LEU  26  -2.610   4.847   4.847
  158   2HD2  LEU  26          1HD2      LEU  26  -2.037   6.528   6.528
  159   3HD2  LEU  26          2HD2      LEU  26  -1.752   5.586   5.586
  160    H    HIS  27           HN       HIS  27  -6.084   6.709   6.709
  161    HA   HIS  27           HA       HIS  27  -4.563   9.067   9.067
  162   1HB   HIS  27          2HB       HIS  27  -4.500   7.508   7.508
  163   2HB   HIS  27          3HB       HIS  27  -6.235   7.596   7.596
  164    HD1  HIS  27           HD1      HIS  27  -3.403  10.204  10.204
  165    HD2  HIS  27           HD2      HIS  27  -6.802   9.123   9.123
  166    HE1  HIS  27           HE1      HIS  27  -3.554  11.860  11.860
  167    HE2  HIS  27           HE2      HIS  27  -5.630  11.112  11.112
  168    H    GLU  28           HN       GLU  28  -8.094   8.391   8.391
  169    HA   GLU  28           HA       GLU  28  -8.821  10.972  10.972
  170   1HB   GLU  28          2HB       GLU  28 -10.875   9.633   9.633
  171   2HB   GLU  28          3HB       GLU  28 -10.862  10.012  10.012
  172   1HG   GLU  28          2HG       GLU  28  -9.464   7.971   7.971
  173   2HG   GLU  28          3HG       GLU  28  -9.512   7.587   7.587
  174    H    ASP  29           HN       ASP  29  -7.923   9.433   9.433
  175    HA   ASP  29           HA       ASP  29  -9.076  11.555  11.555
  176   1HB   ASP  29          2HB       ASP  29  -7.532   9.020   9.020
  177   2HB   ASP  29          3HB       ASP  29  -7.623  10.251  10.251
  178    H    GLY  30           HN       GLY  30  -6.165  10.826  10.826
  179   1HA   GLY  30          1HA       GLY  30  -4.294  12.061  12.061
  180   2HA   GLY  30          2HA       GLY  30  -4.898  13.253  13.253
  181    H    GLU  31           HN       GLU  31  -4.794   9.860   9.860
  182    HA   GLU  31           HA       GLU  31  -2.695  10.604  10.604
  183   1HB   GLU  31          2HB       GLU  31  -4.816   8.434   8.434
  184   2HB   GLU  31          3HB       GLU  31  -3.448   8.348   8.348
  185   1HG   GLU  31          2HG       GLU  31  -5.261  10.795  10.795
  186   2HG   GLU  31          3HG       GLU  31  -5.548   9.485   9.485
  187    H    THR  32           HN       THR  32  -1.314   8.462   8.462
  188    HA   THR  32           HA       THR  32  -0.545   7.110   7.110
  189    HB   THR  32           HB       THR  32   1.835   7.501   7.501
  190    HG1  THR  32           HG1      THR  32   1.932   9.170   9.170
  191   1HG2  THR  32          1HG2      THR  32   0.018   9.948   9.948
  192   2HG2  THR  32          2HG2      THR  32   1.783  10.114  10.114
  193   3HG2  THR  32          3HG2      THR  32   1.093   9.310   9.310
  194    H    VAL  33           HN       VAL  33   1.073   5.235   5.235
  195    HA   VAL  33           HA       VAL  33   0.092   3.966   3.966
  196    HB   VAL  33           HB       VAL  33  -0.357   1.967   1.967
  197   1HG1  VAL  33          2HG1      VAL  33  -1.881   4.002   4.002
  198   2HG1  VAL  33          3HG1      VAL  33  -1.201   3.832   3.832
  199   3HG1  VAL  33          1HG1      VAL  33  -2.089   2.478   2.478
  200   1HG2  VAL  33          2HG2      VAL  33   1.769   1.954   1.954
  201   2HG2  VAL  33          3HG2      VAL  33   0.347   1.338   1.338
  202   3HG2  VAL  33          1HG2      VAL  33   0.956   2.978   2.978
  203    H    GLY  34           HN       GLY  34   1.673   3.051   3.051
  204   1HA   GLY  34          1HA       GLY  34   3.697   2.201   2.201
  205   2HA   GLY  34          2HA       GLY  34   4.183   2.214   2.214
  206    H    SER  35           HN       SER  35   6.280   3.085   3.085
  207    HA   SER  35           HA       SER  35   6.251   5.712   5.712
  208   1HB   SER  35          2HB       SER  35   8.654   4.055   4.055
  209   2HB   SER  35          3HB       SER  35   8.674   5.451   5.451
  210    HG   SER  35           HG       SER  35   6.946   3.793   3.793
  211    H    ASN  36           HN       ASN  36   6.121   4.236   4.236
  212    HA   ASN  36           HA       ASN  36   7.720   6.144   6.144
  213   1HB   ASN  36          2HB       ASN  36   6.155   3.724   3.724
  214   2HB   ASN  36          3HB       ASN  36   5.958   4.965   4.965
  215   1HD2  ASN  36          2HD2      ASN  36   8.800   3.106   3.106
  216   2HD2  ASN  36          1HD2      ASN  36   7.075   3.029   3.029
  217    H    SER  37           HN       SER  37   5.959   6.672   6.672
  218    HA   SER  37           HA       SER  37   3.867   8.238   8.238
  219   1HB   SER  37          2HB       SER  37   4.279  10.061  10.061
  220   2HB   SER  37          3HB       SER  37   5.738   9.709   9.709
  221    HG   SER  37           HG       SER  37   5.427   8.267   8.267
  222    H    TYR  38           HN       TYR  38   3.270   5.700   5.700
  223    HA   TYR  38           HA       TYR  38   2.237   5.978   5.978
  224   1HB   TYR  38          2HB       TYR  38   2.601   3.696   3.696
  225   2HB   TYR  38          3HB       TYR  38   1.834   3.443   3.443
  226    HD1  TYR  38           HD2      TYR  38   4.851   5.510   5.510
  227    HD2  TYR  38           HD1      TYR  38   3.309   2.016   2.016
  228    HE1  TYR  38           HE2      TYR  38   7.124   5.081   5.081
  229    HE2  TYR  38           HE1      TYR  38   5.586   1.598   1.598
  230    HH   TYR  38           HH       TYR  38   8.054   3.961   3.961
  231    HA   PRO  39           HA       PRO  39   0.895   5.070   5.070
  232   1HB   PRO  39          2HB       PRO  39  -1.152   6.073   6.073
  233   2HB   PRO  39          3HB       PRO  39  -1.092   4.410   4.410
  234   1HG   PRO  39          2HG       PRO  39  -2.754   6.637   6.637
  235   2HG   PRO  39          3HG       PRO  39  -2.972   4.914   4.914
  236   1HD   PRO  39          2HD       PRO  39  -1.941   6.784   6.784
  237   2HD   PRO  39          3HD       PRO  39  -2.051   5.045   5.045
  238    H    HIS  40           HN       HIS  40   0.789   6.619   6.619
  239    HA   HIS  40           HA       HIS  40   0.920   9.332   9.332
  240   1HB   HIS  40          2HB       HIS  40   3.303   9.775   9.775
  241   2HB   HIS  40          3HB       HIS  40   2.825   8.804   8.804
  242    HD1  HIS  40           HD1      HIS  40   4.644   8.508   8.508
  243    HD2  HIS  40           HD2      HIS  40   4.084   6.333   6.333
  244    HE1  HIS  40           HE1      HIS  40   6.282   6.554   6.554
  245    HE2  HIS  40           HE2      HIS  40   5.930   5.285   5.285
  246    H    LYS  41           HN       LYS  41   1.889  10.534  10.534
  247    HA   LYS  41           HA       LYS  41   0.931   9.524   9.524
  248   1HB   LYS  41          2HB       LYS  41   1.260  11.770  11.770
  249   2HB   LYS  41          3HB       LYS  41   2.747  11.732  11.732
  250   1HG   LYS  41          2HG       LYS  41   3.992  10.843  10.843
  251   2HG   LYS  41          3HG       LYS  41   2.515  10.684  10.684
  252   1HD   LYS  41          2HD       LYS  41   3.196  12.739  12.739
  253   2HD   LYS  41          3HD       LYS  41   2.294  13.309  13.309
  254   1HE   LYS  41          2HE       LYS  41   5.160  12.586  12.586
  255   2HE   LYS  41          3HE       LYS  41   4.890  14.003  14.003
  256   1HZ   LYS  41          3HZ       LYS  41   3.451  14.859  14.859
  257   2HZ   LYS  41          1HZ       LYS  41   3.749  13.550  13.550
  258   3HZ   LYS  41          2HZ       LYS  41   4.958  14.586  14.586
  259    H    TYR  42           HN       TYR  42   1.948   8.645   8.645
  260    HA   TYR  42           HA       TYR  42   4.587   7.478   7.478
  261   1HB   TYR  42          2HB       TYR  42   3.075   5.703   5.703
  262   2HB   TYR  42          3HB       TYR  42   1.884   6.120   6.120
  263    HD1  TYR  42           HD1      TYR  42   2.564   5.732   5.732
  264    HD2  TYR  42           HD2      TYR  42   4.578   3.946   3.946
  265    HE1  TYR  42           HE1      TYR  42   3.504   3.931   3.931
  266    HE2  TYR  42           HE2      TYR  42   5.512   2.151   2.151
  267    HH   TYR  42           HH       TYR  42   5.830   1.572   1.572
  268    H    ASN  43           HN       ASN  43   1.773   8.178   8.178
  269    HA   ASN  43           HA       ASN  43   1.629   8.680   8.680
  270   1HB   ASN  43          2HB       ASN  43   4.437   9.530   9.530
  271   2HB   ASN  43          3HB       ASN  43   4.075   9.368   9.368
  272   1HD2  ASN  43          2HD2      ASN  43   1.685  11.948  11.948
  273   2HD2  ASN  43          1HD2      ASN  43   2.155  10.396  10.396
  274    H    ASN  44           HN       ASN  44   5.003   7.918   7.918
  275    HA   ASN  44           HA       ASN  44   5.255   5.343   5.343
  276   1HB   ASN  44          2HB       ASN  44   4.191   4.444   4.444
  277   2HB   ASN  44          3HB       ASN  44   2.932   5.350   5.350
  278   1HD2  ASN  44          2HD2      ASN  44   4.309   6.376   6.376
  279   2HD2  ASN  44          1HD2      ASN  44   4.949   5.070   5.070
  280    H    TYR  45           HN       TYR  45   6.452   4.685   4.685
  281    HA   TYR  45           HA       TYR  45   7.419   6.538   6.538
  282   1HB   TYR  45          2HB       TYR  45   8.587   6.603   6.603
  283   2HB   TYR  45          3HB       TYR  45   9.798   6.506   6.506
  284    HD1  TYR  45           HD1      TYR  45   6.867   8.183   8.183
  285    HD2  TYR  45           HD2      TYR  45  10.451   8.767   8.767
  286    HE1  TYR  45           HE1      TYR  45   6.694  10.693  10.693
  287    HE2  TYR  45           HE2      TYR  45  10.266  11.276  11.276
  288    HH   TYR  45           HH       TYR  45   7.951  12.850  12.850
  289    H    GLU  46           HN       GLU  46   8.548   3.951   3.951
  290    HA   GLU  46           HA       GLU  46  10.507   2.881   2.881
  291   1HB   GLU  46          2HB       GLU  46   8.426   1.418   1.418
  292   2HB   GLU  46          3HB       GLU  46   9.921   0.693   0.693
  293   1HG   GLU  46          2HG       GLU  46   9.498   2.809   2.809
  294   2HG   GLU  46          3HG       GLU  46  10.587   1.437   1.437
  295    H    GLY  47           HN       GLY  47   7.159   3.115   3.115
  296   1HA   GLY  47          1HA       GLY  47   6.632   2.704   2.704
  297   2HA   GLY  47          2HA       GLY  47   7.581   1.232   1.232
  298    H    PHE  48           HN       PHE  48   5.015   2.703   2.703
  299    HA   PHE  48           HA       PHE  48   3.776   0.069   0.069
  300   1HB   PHE  48          2HB       PHE  48   3.455   2.741   2.741
  301   2HB   PHE  48          3HB       PHE  48   2.441   1.353   1.353
  302    HD1  PHE  48           HD2      PHE  48   3.491  -0.730  -0.730
  303    HD2  PHE  48           HD1      PHE  48   5.638   2.912   2.912
  304    HE1  PHE  48           HE2      PHE  48   5.196  -1.575  -1.575
  305    HE2  PHE  48           HE1      PHE  48   7.343   2.067   2.067
  306    HZ   PHE  48           HZ       PHE  48   7.102  -0.167  -0.167
  307    H    ASP  49           HN       ASP  49   1.754  -0.385  -0.385
  308    HA   ASP  49           HA       ASP  49   0.658   1.702   1.702
  309   1HB   ASP  49          2HB       ASP  49  -0.545  -1.053  -1.053
  310   2HB   ASP  49          3HB       ASP  49  -0.368  -0.010  -0.010
  311    H    PHE  50           HN       PHE  50  -0.025   2.785   2.785
  312    HA   PHE  50           HA       PHE  50  -2.069   1.502   1.502
  313   1HB   PHE  50          2HB       PHE  50  -0.960   4.354   4.354
  314   2HB   PHE  50          3HB       PHE  50  -2.204   3.964   3.964
  315    HD1  PHE  50           HD1      PHE  50  -0.266   1.111   1.111
  316    HD2  PHE  50           HD2      PHE  50  -0.098   5.087   5.087
  317    HE1  PHE  50           HE1      PHE  50   1.498   0.425   0.425
  318    HE2  PHE  50           HE2      PHE  50   1.666   4.402   4.402
  319    HZ   PHE  50           HZ       PHE  50   2.443   2.079   2.079
  320    H    SER  51           HN       SER  51  -3.848   0.965   0.965
  321    HA   SER  51           HA       SER  51  -4.893   2.793   2.793
  322   1HB   SER  51          2HB       SER  51  -6.756   1.184   1.184
  323   2HB   SER  51          3HB       SER  51  -5.213   0.355   0.355
  324    HG   SER  51           HG       SER  51  -7.172  -0.325  -0.325
  325    H    VAL  52           HN       VAL  52  -4.531   3.927   3.927
  326    HA   VAL  52           HA       VAL  52  -7.327   4.661   4.661
  327    HB   VAL  52           HB       VAL  52  -6.925   4.682   4.682
  328   1HG1  VAL  52          2HG1      VAL  52  -7.599   2.537   2.537
  329   2HG1  VAL  52          3HG1      VAL  52  -5.885   2.058   2.058
  330   3HG1  VAL  52          1HG1      VAL  52  -6.695   2.312   2.312
  331   1HG2  VAL  52          2HG2      VAL  52  -4.082   4.326   4.326
  332   2HG2  VAL  52          3HG2      VAL  52  -4.786   5.263   5.263
  333   3HG2  VAL  52          1HG2      VAL  52  -4.607   3.498   3.498
  334    H    SER  53           HN       SER  53  -7.537   6.851   6.851
  335    HA   SER  53           HA       SER  53  -5.619   8.575   8.575
  336   1HB   SER  53          2HB       SER  53  -8.301   9.005   9.005
  337   2HB   SER  53          3HB       SER  53  -7.283  10.365  10.365
  338    HG   SER  53           HG       SER  53  -8.492  10.127  10.127
  339    H    SER  54           HN       SER  54  -4.389  10.216  10.216
  340    HA   SER  54           HA       SER  54  -3.496   9.351   9.351
  341   1HB   SER  54          2HB       SER  54  -1.800  10.896  10.896
  342   2HB   SER  54          3HB       SER  54  -2.333  10.757  10.757
  343    HG   SER  54           HG       SER  54  -3.133  12.798  12.798
  344    HA   PRO  55           HA       PRO  55  -2.212  11.122  11.122
  345   1HB   PRO  55          2HB       PRO  55  -1.822  11.364  11.364
  346   2HB   PRO  55          3HB       PRO  55  -1.735  12.720  12.720
  347   1HG   PRO  55          2HG       PRO  55  -3.886  12.016  12.016
  348   2HG   PRO  55          3HG       PRO  55  -3.575  13.550  13.550
  349   1HD   PRO  55          2HD       PRO  55  -5.603  11.645  11.645
  350   2HD   PRO  55          3HD       PRO  55  -5.218  13.124  13.124
  351    H    TYR  56           HN       TYR  56  -0.735   9.454   9.454
  352    HA   TYR  56           HA       TYR  56  -2.324   7.068   7.068
  353   1HB   TYR  56          2HB       TYR  56   0.535   7.651   7.651
  354   2HB   TYR  56          3HB       TYR  56  -0.069   6.024   6.024
  355    HD1  TYR  56           HD1      TYR  56  -2.894   6.461   6.461
  356    HD2  TYR  56           HD2      TYR  56   0.951   7.587   7.587
  357    HE1  TYR  56           HE1      TYR  56  -3.808   6.444   6.444
  358    HE2  TYR  56           HE2      TYR  56   0.025   7.566   7.566
  359    HH   TYR  56           HH       TYR  56  -1.677   6.824   6.824
  360    H    TYR  57           HN       TYR  57  -2.407   6.376   6.376
  361    HA   TYR  57           HA       TYR  57  -0.259   7.222   7.222
  362   1HB   TYR  57          2HB       TYR  57  -2.990   5.851   5.851
  363   2HB   TYR  57          3HB       TYR  57  -1.991   6.499   6.499
  364    HD1  TYR  57           HD2      TYR  57  -1.270   8.981   8.981
  365    HD2  TYR  57           HD1      TYR  57  -4.846   7.265   7.265
  366    HE1  TYR  57           HE2      TYR  57  -2.450  11.222  11.222
  367    HE2  TYR  57           HE1      TYR  57  -6.014   9.512   9.512
  368    HH   TYR  57           HH       TYR  57  -4.282  12.387  12.387
  369    H    GLU  58           HN       GLU  58   1.139   5.793   5.793
  370    HA   GLU  58           HA       GLU  58   0.826   3.032   3.032
  371   1HB   GLU  58          2HB       GLU  58   3.276   2.849   2.849
  372   2HB   GLU  58          3HB       GLU  58   2.935   3.974   3.974
  373   1HG   GLU  58          2HG       GLU  58   2.868   5.826   5.826
  374   2HG   GLU  58          3HG       GLU  58   3.536   4.640   4.640
  375    H    TRP  59           HN       TRP  59   0.426   1.416   1.416
  376    HA   TRP  59           HA       TRP  59   0.976   1.970   1.970
  377   1HB   TRP  59          2HB       TRP  59  -1.228   2.695   2.695
  378   2HB   TRP  59          3HB       TRP  59  -1.739   1.501   1.501
  379    HD1  TRP  59           HD1      TRP  59  -2.374  -0.958  -0.958
  380    HE1  TRP  59           HE1      TRP  59  -2.903  -1.950  -1.950
  381    HE3  TRP  59           HE3      TRP  59  -0.509   2.976   2.976
  382    HZ2  TRP  59           HZ2      TRP  59  -2.490  -1.001  -1.001
  383    HZ3  TRP  59           HZ3      TRP  59  -0.611   2.864   2.864
  384    HH2  TRP  59           HH2      TRP  59  -1.559   0.964   0.964
  385    HA   PRO  60           HA       PRO  60   2.121  -2.211  -2.211
  386   1HB   PRO  60          2HB       PRO  60   2.057  -2.964  -2.964
  387   2HB   PRO  60          3HB       PRO  60   3.386  -2.067  -2.067
  388   1HG   PRO  60          2HG       PRO  60   1.243  -1.100  -1.100
  389   2HG   PRO  60          3HG       PRO  60   2.786  -0.354  -0.354
  390   1HD   PRO  60          2HD       PRO  60   0.220   0.407   0.407
  391   2HD   PRO  60          3HD       PRO  60   1.773   1.077   1.077
  392    H    ILE  61           HN       ILE  61   1.457  -4.381  -4.381
  393    HA   ILE  61           HA       ILE  61  -1.394  -4.630  -4.630
  394    HB   ILE  61           HB       ILE  61  -0.925  -4.404  -4.404
  395   1HG1  ILE  61          2HG1      ILE  61  -2.174  -6.913  -6.913
  396   2HG1  ILE  61          3HG1      ILE  61  -2.961  -5.443  -5.443
  397   1HG2  ILE  61          1HG2      ILE  61   1.300  -5.669  -5.669
  398   2HG2  ILE  61          2HG2      ILE  61   0.315  -7.150  -7.150
  399   3HG2  ILE  61          3HG2      ILE  61   0.279  -5.984  -5.984
  400   1HD1  ILE  61          3HD1      ILE  61  -2.034  -5.946  -5.946
  401   2HD1  ILE  61          1HD1      ILE  61  -1.578  -7.547  -7.547
  402   3HD1  ILE  61          2HD1      ILE  61  -3.289  -7.058  -7.058
  403    H    LEU  62           HN       LEU  62  -1.853  -6.180  -6.180
  404    HA   LEU  62           HA       LEU  62   0.307  -7.979  -7.979
  405   1HB   LEU  62          2HB       LEU  62  -2.356  -7.377  -7.377
  406   2HB   LEU  62          3HB       LEU  62  -1.162  -8.493  -8.493
  407    HG   LEU  62           HG       LEU  62  -0.753  -5.515  -5.515
  408   1HD1  LEU  62          1HD1      LEU  62  -2.356  -6.343  -6.343
  409   2HD1  LEU  62          2HD1      LEU  62  -0.890  -6.945  -6.945
  410   3HD1  LEU  62          3HD1      LEU  62  -1.060  -5.210  -5.210
  411   1HD2  LEU  62          2HD2      LEU  62   1.101  -7.731  -7.731
  412   2HD2  LEU  62          3HD2      LEU  62   1.407  -6.145  -6.145
  413   3HD2  LEU  62          1HD2      LEU  62   1.239  -6.280  -6.280
  414    H    SER  63           HN       SER  63   0.416 -10.057 -10.057
  415    HA   SER  63           HA       SER  63  -1.270 -11.036 -11.036
  416   1HB   SER  63          2HB       SER  63  -0.129 -13.180 -13.180
  417   2HB   SER  63          3HB       SER  63   0.218 -12.749 -12.749
  418    HG   SER  63           HG       SER  63   1.792 -12.368 -12.368
  419    H    SER  64           HN       SER  64  -1.809 -10.665 -10.665
  420    HA   SER  64           HA       SER  64  -3.671 -12.840 -12.840
  421   1HB   SER  64          2HB       SER  64  -2.482 -10.848 -10.848
  422   2HB   SER  64          3HB       SER  64  -4.074 -11.454 -11.454
  423    HG   SER  64           HG       SER  64  -2.263 -13.447 -13.447
  424    H    GLY  65           HN       GLY  65  -3.608  -9.479  -9.479
  425   1HA   GLY  65          1HA       GLY  65  -5.318  -8.315  -8.315
  426   2HA   GLY  65          2HA       GLY  65  -6.477  -9.506  -9.506
  427    H    ASP  66           HN       ASP  66  -4.042  -7.984  -7.984
  428    HA   ASP  66           HA       ASP  66  -6.277  -6.780  -6.780
  429   1HB   ASP  66          2HB       ASP  66  -3.508  -7.709  -7.709
  430   2HB   ASP  66          3HB       ASP  66  -4.391  -6.574  -6.574
  431    H    VAL  67           HN       VAL  67  -4.966  -4.826  -4.826
  432    HA   VAL  67           HA       VAL  67  -3.977  -3.034  -3.034
  433    HB   VAL  67           HB       VAL  67  -5.305  -2.587  -2.587
  434   1HG1  VAL  67          1HG1      VAL  67  -3.926  -0.592  -0.592
  435   2HG1  VAL  67          2HG1      VAL  67  -5.157  -0.125  -0.125
  436   3HG1  VAL  67          3HG1      VAL  67  -3.640  -0.891  -0.891
  437   1HG2  VAL  67          3HG2      VAL  67  -6.181  -2.641  -2.641
  438   2HG2  VAL  67          1HG2      VAL  67  -7.136  -2.678  -2.678
  439   3HG2  VAL  67          2HG2      VAL  67  -6.610  -1.120  -1.120
  440    H    TYR  68           HN       TYR  68  -1.791  -3.010  -3.010
  441    HA   TYR  68           HA       TYR  68  -0.015  -4.002  -4.002
  442   1HB   TYR  68          2HB       TYR  68   0.364  -3.166  -3.166
  443   2HB   TYR  68          3HB       TYR  68   0.151  -1.518  -1.518
  444    HD1  TYR  68           HD1      TYR  68   2.191  -4.449  -4.449
  445    HD2  TYR  68           HD2      TYR  68   2.138  -0.335  -0.335
  446    HE1  TYR  68           HE1      TYR  68   4.684  -4.278  -4.278
  447    HE2  TYR  68           HE2      TYR  68   4.632  -0.178  -0.178
  448    HH   TYR  68           HH       TYR  68   6.480  -1.385  -1.385
  449    H    SER  69           HN       SER  69   1.788  -2.603  -2.603
  450    HA   SER  69           HA       SER  69   0.327  -0.864  -0.864
  451   1HB   SER  69          2HB       SER  69   2.131  -1.240  -1.240
  452   2HB   SER  69          3HB       SER  69   1.653  -2.792  -2.792
  453    HG   SER  69           HG       SER  69   4.069  -2.140  -2.140
  454    H    GLY  70           HN       GLY  70   3.346  -1.031  -1.031
  455   1HA   GLY  70          1HA       GLY  70   3.622   1.098   1.098
  456   2HA   GLY  70          2HA       GLY  70   3.577   1.906   1.906
  457    H    GLY  71           HN       GLY  71   5.781   1.762   1.762
  458   1HA   GLY  71          1HA       GLY  71   8.051   2.033   2.033
  459   2HA   GLY  71          2HA       GLY  71   7.857   0.648   0.648
  460    H    SER  72           HN       SER  72   8.296  -1.416  -1.416
  461    HA   SER  72           HA       SER  72   8.942  -1.530  -1.530
  462   1HB   SER  72          2HB       SER  72  10.467  -3.438  -3.438
  463   2HB   SER  72          3HB       SER  72  10.936  -1.881  -1.881
  464    HG   SER  72           HG       SER  72  10.741  -3.989  -3.989
  465    HA   PRO  73           HA       PRO  73   5.432  -4.316  -4.316
  466   1HB   PRO  73          2HB       PRO  73   4.067  -3.602  -3.602
  467   2HB   PRO  73          3HB       PRO  73   3.783  -2.865  -2.865
  468   1HG   PRO  73          2HG       PRO  73   5.214  -1.759  -1.759
  469   2HG   PRO  73          3HG       PRO  73   4.557  -0.912  -0.912
  470   1HD   PRO  73          2HD       PRO  73   7.315  -1.533  -1.533
  471   2HD   PRO  73          3HD       PRO  73   6.644  -0.790  -0.790
  472    H    GLY  74           HN       GLY  74   7.822  -5.325  -5.325
  473   1HA   GLY  74          1HA       GLY  74   8.716  -7.095  -7.095
  474   2HA   GLY  74          2HA       GLY  74   7.137  -7.443  -7.443
  475    H    ALA  75           HN       ALA  75   6.521  -6.589  -6.589
  476    HA   ALA  75           HA       ALA  75   8.318  -4.855  -4.855
  477   1HB   ALA  75          2HB       ALA  75   8.303  -7.830  -7.830
  478   2HB   ALA  75          3HB       ALA  75   8.536  -6.725  -6.725
  479   3HB   ALA  75          1HB       ALA  75   9.669  -6.689  -6.689
  480    H    ASP  76           HN       ASP  76   5.551  -7.141  -7.141
  481    HA   ASP  76           HA       ASP  76   4.377  -6.346  -6.346
  482   1HB   ASP  76          2HB       ASP  76   2.858  -7.063  -7.063
  483   2HB   ASP  76          3HB       ASP  76   2.338  -7.329  -7.329
  484    H    ARG  77           HN       ARG  77   3.102  -4.531  -4.531
  485    HA   ARG  77           HA       ARG  77   2.020  -2.936  -2.936
  486   1HB   ARG  77          2HB       ARG  77   3.794  -1.561  -1.561
  487   2HB   ARG  77          3HB       ARG  77   3.134  -0.875  -0.875
  488   1HG   ARG  77          2HG       ARG  77   4.830  -3.291  -3.291
  489   2HG   ARG  77          3HG       ARG  77   5.685  -1.909  -1.909
  490   1HD   ARG  77          2HD       ARG  77   4.279  -0.631  -0.631
  491   2HD   ARG  77          3HD       ARG  77   4.356  -2.224  -2.224
  492    HE   ARG  77           HE       ARG  77   6.615  -0.401  -0.401
  493   1HH1  ARG  77           HH2      ARG  77   5.639  -3.710  -3.710
  494   2HH1  ARG  77           HH2      ARG  77   7.174  -4.160  -4.160
  495   1HH2  ARG  77           HH1      ARG  77   8.640  -0.993  -0.993
  496   2HH2  ARG  77           HH1      ARG  77   8.892  -2.604  -2.604
  497    H    VAL  78           HN       VAL  78   0.289  -1.531  -1.531
  498    HA   VAL  78           HA       VAL  78  -0.437  -2.059  -2.059
  499    HB   VAL  78           HB       VAL  78  -2.797  -1.647  -1.647
  500   1HG1  VAL  78          1HG1      VAL  78  -1.129  -4.105  -4.105
  501   2HG1  VAL  78          2HG1      VAL  78  -2.859  -4.066  -4.066
  502   3HG1  VAL  78          3HG1      VAL  78  -2.342  -3.814  -3.814
  503   1HG2  VAL  78          1HG2      VAL  78  -1.723  -0.852  -0.852
  504   2HG2  VAL  78          2HG2      VAL  78  -3.252  -1.763  -1.763
  505   3HG2  VAL  78          3HG2      VAL  78  -1.723  -2.592  -2.592
  506    H    VAL  79           HN       VAL  79  -0.897  -0.311  -0.311
  507    HA   VAL  79           HA       VAL  79  -0.639   2.304   2.304
  508    HB   VAL  79           HB       VAL  79   0.039   1.365   1.365
  509   1HG1  VAL  79          3HG1      VAL  79  -0.930   3.859   3.859
  510   2HG1  VAL  79          1HG1      VAL  79   0.823   4.099   4.099
  511   3HG1  VAL  79          2HG1      VAL  79   0.178   3.483   3.483
  512   1HG2  VAL  79          3HG2      VAL  79   1.653   2.143   2.143
  513   2HG2  VAL  79          1HG2      VAL  79   1.813   0.719   0.719
  514   3HG2  VAL  79          2HG2      VAL  79   2.329   2.321   2.321
  515    H    PHE  80           HN       PHE  80  -2.215   3.874   3.874
  516    HA   PHE  80           HA       PHE  80  -4.308   3.304   3.304
  517   1HB   PHE  80          2HB       PHE  80  -6.042   3.467   3.467
  518   2HB   PHE  80          3HB       PHE  80  -4.926   2.185   2.185
  519    HD1  PHE  80           HD2      PHE  80  -2.859   3.024   3.024
  520    HD2  PHE  80           HD1      PHE  80  -6.628   4.958   4.958
  521    HE1  PHE  80           HE2      PHE  80  -2.447   4.120   4.120
  522    HE2  PHE  80           HE1      PHE  80  -6.215   6.054   6.054
  523    HZ   PHE  80           HZ       PHE  80  -4.130   5.621   5.621
  524    H    ASN  81           HN       ASN  81  -6.148   5.261   5.261
  525    HA   ASN  81           HA       ASN  81  -4.506   7.655   7.655
  526   1HB   ASN  81          2HB       ASN  81  -7.122   7.761   7.761
  527   2HB   ASN  81          3HB       ASN  81  -5.637   8.634   8.634
  528   1HD2  ASN  81          2HD2      ASN  81  -6.233   4.798   4.798
  529   2HD2  ASN  81          1HD2      ASN  81  -7.111   5.415   5.415
  530    H    GLU  82           HN       GLU  82  -6.558   9.572   9.572
  531    HA   GLU  82           HA       GLU  82  -7.680   8.918   8.918
  532   1HB   GLU  82          2HB       GLU  82  -6.754  11.076  11.076
  533   2HB   GLU  82          3HB       GLU  82  -7.313  11.439  11.439
  534   1HG   GLU  82          2HG       GLU  82  -9.568  11.798  11.798
  535   2HG   GLU  82          3HG       GLU  82  -9.301  10.981  10.981
  536    H    ASN  83           HN       ASN  83  -8.606   7.950   7.950
  537    HA   ASN  83           HA       ASN  83 -11.348   8.870   8.870
  538   1HB   ASN  83          2HB       ASN  83 -11.162   7.191   7.191
  539   2HB   ASN  83          3HB       ASN  83 -11.107   8.942   8.942
  540   1HD2  ASN  83          2HD2      ASN  83  -7.794   6.636   6.636
  541   2HD2  ASN  83          1HD2      ASN  83  -9.337   5.990   5.990
  542    H    ASN  84           HN       ASN  84  -9.162   6.146   6.146
  543    HA   ASN  84           HA       ASN  84  -9.783   4.428   4.428
  544   1HB   ASN  84          2HB       ASN  84 -11.994   3.563   3.563
  545   2HB   ASN  84          3HB       ASN  84 -12.267   5.272   5.272
  546   1HD2  ASN  84          2HD2      ASN  84 -12.582   4.286   4.286
  547   2HD2  ASN  84          1HD2      ASN  84 -11.261   4.951   4.951
  548    H    GLN  85           HN       GLN  85  -8.727   4.882   4.882
  549    HA   GLN  85           HA       GLN  85  -9.407   2.296   2.296
  550   1HB   GLN  85          2HB       GLN  85  -8.149   4.779   4.779
  551   2HB   GLN  85          3HB       GLN  85  -8.335   3.257   3.257
  552   1HG   GLN  85          2HG       GLN  85 -10.778   3.347   3.347
  553   2HG   GLN  85          3HG       GLN  85 -10.665   4.758   4.758
  554   1HE2  GLN  85          2HE2      GLN  85  -9.691   7.028   7.028
  555   2HE2  GLN  85          1HE2      GLN  85  -9.331   6.602   6.602
  556    H    LEU  86           HN       LEU  86  -7.840   0.700   0.700
  557    HA   LEU  86           HA       LEU  86  -5.353   1.173   1.173
  558   1HB   LEU  86          2HB       LEU  86  -5.468  -0.974  -0.974
  559   2HB   LEU  86          3HB       LEU  86  -7.070  -0.963  -0.963
  560    HG   LEU  86           HG       LEU  86  -4.508  -1.667  -1.667
  561   1HD1  LEU  86          3HD1      LEU  86  -6.425  -3.256  -3.256
  562   2HD1  LEU  86          1HD1      LEU  86  -6.047  -3.916  -3.916
  563   3HD1  LEU  86          2HD1      LEU  86  -4.736  -3.593  -3.593
  564   1HD2  LEU  86          1HD2      LEU  86  -6.983  -0.790  -0.790
  565   2HD2  LEU  86          2HD2      LEU  86  -5.605  -1.489  -1.489
  566   3HD2  LEU  86          3HD2      LEU  86  -6.907  -2.545  -2.545
  567    H    ALA  87           HN       ALA  87  -3.359   1.450   1.450
  568    HA   ALA  87           HA       ALA  87  -3.307   2.039   2.039
  569   1HB   ALA  87          2HB       ALA  87  -1.851   2.735   2.735
  570   2HB   ALA  87          3HB       ALA  87  -0.708   1.795   1.795
  571   3HB   ALA  87          1HB       ALA  87  -1.503   3.233   3.233
  572    H    GLY  88           HN       GLY  88  -2.077  -0.583  -0.583
  573   1HA   GLY  88          1HA       GLY  88  -2.323  -2.611  -2.611
  574   2HA   GLY  88          2HA       GLY  88  -0.700  -1.978  -1.978
  575    H    VAL  89           HN       VAL  89   0.694  -3.364  -3.364
  576    HA   VAL  89           HA       VAL  89   0.372  -3.725  -3.725
  577    HB   VAL  89           HB       VAL  89   0.238  -6.030  -6.030
  578   1HG1  VAL  89          3HG1      VAL  89   1.879  -6.244  -6.244
  579   2HG1  VAL  89          1HG1      VAL  89   0.386  -6.408  -6.408
  580   3HG1  VAL  89          2HG1      VAL  89   0.735  -7.561  -7.561
  581   1HG2  VAL  89          1HG2      VAL  89  -1.609  -4.957  -4.957
  582   2HG2  VAL  89          2HG2      VAL  89  -1.940  -5.209  -5.209
  583   3HG2  VAL  89          3HG2      VAL  89  -1.754  -6.609  -6.609
  584    H    ILE  90           HN       ILE  90   2.302  -2.582  -2.582
  585    HA   ILE  90           HA       ILE  90   4.608  -3.481  -3.481
  586    HB   ILE  90           HB       ILE  90   5.719  -1.560  -1.560
  587   1HG1  ILE  90          2HG1      ILE  90   3.344  -1.479  -1.479
  588   2HG1  ILE  90          3HG1      ILE  90   5.049  -1.318  -1.318
  589   1HG2  ILE  90          2HG2      ILE  90   3.903  -1.465  -1.465
  590   2HG2  ILE  90          3HG2      ILE  90   3.040  -0.450  -0.450
  591   3HG2  ILE  90          1HG2      ILE  90   4.667   0.014   0.014
  592   1HD1  ILE  90          1HD1      ILE  90   3.958   0.778   0.778
  593   2HD1  ILE  90          2HD1      ILE  90   3.330   0.802   0.802
  594   3HD1  ILE  90          3HD1      ILE  90   5.081   0.935   0.935
  595    H    THR  91           HN       THR  91   6.727  -3.724  -3.724
  596    HA   THR  91           HA       THR  91   6.431  -4.658  -4.658
  597    HB   THR  91           HB       THR  91   5.598  -6.704  -6.704
  598    HG1  THR  91           HG1      THR  91   8.093  -7.649  -7.649
  599   1HG2  THR  91          2HG2      THR  91   7.480  -6.302  -6.302
  600   2HG2  THR  91          3HG2      THR  91   6.563  -7.798  -7.798
  601   3HG2  THR  91          1HG2      THR  91   5.702  -6.278  -6.278
  602    H    HIS  92           HN       HIS  92   8.456  -5.057  -5.057
  603    HA   HIS  92           HA       HIS  92  10.532  -3.532  -3.532
  604   1HB   HIS  92          2HB       HIS  92  10.151  -4.949  -4.949
  605   2HB   HIS  92          3HB       HIS  92  11.744  -4.384  -4.384
  606    HD1  HIS  92           HD1      HIS  92  12.106  -2.344  -2.344
  607    HD2  HIS  92           HD2      HIS  92   8.318  -2.380  -2.380
  608    HE1  HIS  92           HE1      HIS  92  11.026  -0.099  -0.099
  609    HE2  HIS  92           HE2      HIS  92   8.724  -0.159  -0.159
  610    H    THR  93           HN       THR  93   9.498  -6.329  -6.329
  611    HA   THR  93           HA       THR  93  11.431  -8.251  -8.251
  612    HB   THR  93           HB       THR  93   9.413  -7.442  -7.442
  613    HG1  THR  93           HG1      THR  93   9.491  -8.933  -8.933
  614   1HG2  THR  93          1HG2      THR  93  11.739  -9.349  -9.349
  615   2HG2  THR  93          2HG2      THR  93  10.141  -9.738  -9.738
  616   3HG2  THR  93          3HG2      THR  93  10.978  -8.243  -8.243
  617    H    GLY  94           HN       GLY  94  13.518  -7.392  -7.392
  618   1HA   GLY  94          1HA       GLY  94  15.419  -6.307  -6.307
  619   2HA   GLY  94          2HA       GLY  94  15.296  -7.535  -7.535
  620    H    ALA  95           HN       ALA  95  13.204  -4.626  -4.626
  621    HA   ALA  95           HA       ALA  95  13.100  -3.972  -3.972
  622   1HB   ALA  95          3HB       ALA  95  12.434  -2.662  -2.662
  623   2HB   ALA  95          1HB       ALA  95  12.500  -1.631  -1.631
  624   3HB   ALA  95          2HB       ALA  95  11.389  -3.021  -3.021
  625    H    SER  96           HN       SER  96  15.713  -3.776  -3.776
  626    HA   SER  96           HA       SER  96  17.797  -3.231  -3.231
  627   1HB   SER  96          2HB       SER  96  16.801  -2.587  -2.587
  628   2HB   SER  96          3HB       SER  96  16.734  -0.950  -0.950
  629    HG   SER  96           HG       SER  96  18.813  -2.050  -2.050
  630    H    GLY  97           HN       GLY  97  16.489  -2.543  -2.543
  631   1HA   GLY  97          1HA       GLY  97  17.617  -1.012  -1.012
  632   2HA   GLY  97          2HA       GLY  97  17.282   0.277   0.277
  633    H    ASN  98           HN       ASN  98  15.750   1.585   1.585
  634    HA   ASN  98           HA       ASN  98  13.643   0.312   0.312
  635   1HB   ASN  98          2HB       ASN  98  14.706   2.281   2.281
  636   2HB   ASN  98          3HB       ASN  98  14.438   3.238   3.238
  637   1HD2  ASN  98          2HD2      ASN  98  10.910   2.033   2.033
  638   2HD2  ASN  98          1HD2      ASN  98  12.127   0.915   0.915
  639    H    ASN  99           HN       ASN  99  14.142   0.600   0.600
  640    HA   ASN  99           HA       ASN  99  11.994   2.202   2.202
  641   1HB   ASN  99          2HB       ASN  99  12.505   0.530   0.530
  642   2HB   ASN  99          3HB       ASN  99  13.430   1.979   1.979
  643   1HD2  ASN  99          1HD2      ASN  99  13.353  -0.982  -0.982
  644   2HD2  ASN  99          2HD2      ASN  99  15.001  -1.457  -1.457
  645    H    PHE 100           HN       PHE 100  10.160   1.171   1.171
  646    HA   PHE 100           HA       PHE 100   9.305  -1.340  -1.340
  647   1HB   PHE 100          2HB       PHE 100   7.925   1.235   1.235
  648   2HB   PHE 100          3HB       PHE 100   6.988  -0.244  -0.244
  649    HD1  PHE 100           HD2      PHE 100   7.431  -1.581  -1.581
  650    HD2  PHE 100           HD1      PHE 100   7.785   2.608   2.608
  651    HE1  PHE 100           HE2      PHE 100   7.056  -1.209  -1.209
  652    HE2  PHE 100           HE1      PHE 100   7.410   2.979   2.979
  653    HZ   PHE 100           HZ       PHE 100   7.049   1.066   1.066
  654    H    VAL 101           HN       VAL 101   7.651  -2.571  -2.571
  655    HA   VAL 101           HA       VAL 101   7.743  -2.103  -2.103
  656    HB   VAL 101           HB       VAL 101   8.931  -4.197  -4.197
  657   1HG1  VAL 101          1HG1      VAL 101   9.993  -1.868  -1.868
  658   2HG1  VAL 101          2HG1      VAL 101  10.764  -2.385  -2.385
  659   3HG1  VAL 101          3HG1      VAL 101  11.099  -3.261  -3.261
  660   1HG2  VAL 101          1HG2      VAL 101   9.712  -4.192  -4.192
  661   2HG2  VAL 101          2HG2      VAL 101   8.698  -5.399  -5.399
  662   3HG2  VAL 101          3HG2      VAL 101  10.419  -5.237  -5.237
  663    H    GLU 102           HN       GLU 102   6.045  -3.179  -3.179
  664    HA   GLU 102           HA       GLU 102   3.983  -4.031  -4.031
  665   1HB   GLU 102          2HB       GLU 102   3.498  -5.378  -5.378
  666   2HB   GLU 102          3HB       GLU 102   3.197  -3.667  -3.667
  667   1HG   GLU 102          2HG       GLU 102   5.194  -3.026  -3.026
  668   2HG   GLU 102          3HG       GLU 102   5.955  -4.585  -4.585
  669    H    CYS 103           HN       CYS 103   3.398  -5.909  -5.909
  670    HA   CYS 103           HA       CYS 103   5.255  -7.844  -7.844
  671   1HB   CYS 103          2HB       CYS 103   2.274  -7.709  -7.709
  672   2HB   CYS 103          3HB       CYS 103   3.085  -9.232  -9.232
  673    H    THR 104           HN       THR 104   3.174  -7.356  -7.356
  674    HA   THR 104           HA       THR 104   4.449  -9.507  -9.507
  675    HB   THR 104           HB       THR 104   2.142 -10.601 -10.601
  676    HG1  THR 104           HG1      THR 104   0.499  -9.880  -9.880
  677   1HG2  THR 104          1HG2      THR 104   3.962 -11.365 -11.365
  678   2HG2  THR 104          2HG2      THR 104   2.716 -10.805 -10.805
  679   3HG2  THR 104          3HG2      THR 104   2.341 -12.101 -12.101

  Start of MODEL   10
    1    H    ALA   1           HN       ALA   1  -8.512 -15.334 -15.334
    2    HA   ALA   1           HA       ALA   1  -6.206 -16.959 -16.959
    3   1HB   ALA   1          3HB       ALA   1  -7.983 -15.580 -15.580
    4   2HB   ALA   1          1HB       ALA   1  -6.681 -14.388 -14.388
    5   3HB   ALA   1          2HB       ALA   1  -6.312 -15.994 -15.994
    6    H    CYS   2           HN       CYS   2  -4.225 -15.320 -15.320
    7    HA   CYS   2           HA       CYS   2  -4.065 -13.747 -13.747
    8   1HB   CYS   2          2HB       CYS   2  -1.487 -14.264 -14.264
    9   2HB   CYS   2          3HB       CYS   2  -2.127 -14.709 -14.709
   10    H    ASP   3           HN       ASP   3  -5.336 -12.234 -12.234
   11    HA   ASP   3           HA       ASP   3  -4.398 -11.180 -11.180
   12   1HB   ASP   3          2HB       ASP   3  -5.408  -9.568  -9.568
   13   2HB   ASP   3          3HB       ASP   3  -5.364  -8.975  -8.975
   14    H    TYR   4           HN       TYR   4  -3.016 -10.846 -10.846
   15    HA   TYR   4           HA       TYR   4  -0.752  -9.401  -9.401
   16   1HB   TYR   4          2HB       TYR   4  -2.208  -8.829  -8.829
   17   2HB   TYR   4          3HB       TYR   4  -0.824  -7.935  -7.935
   18    HD1  TYR   4           HD2      TYR   4  -1.092  -6.584  -6.584
   19    HD2  TYR   4           HD1      TYR   4  -4.411  -8.204  -8.204
   20    HE1  TYR   4           HE2      TYR   4  -2.658  -4.957  -4.957
   21    HE2  TYR   4           HE1      TYR   4  -5.965  -6.572  -6.572
   22    HH   TYR   4           HH       TYR   4  -5.731  -4.322  -4.322
   23    H    THR   5           HN       THR   5   0.962 -10.738 -10.738
   24    HA   THR   5           HA       THR   5   1.134 -12.128 -12.128
   25    HB   THR   5           HB       THR   5   1.346 -13.084 -13.084
   26    HG1  THR   5           HG1      THR   5   0.766 -15.042 -15.042
   27   1HG2  THR   5          1HG2      THR   5   3.731 -13.305 -13.305
   28   2HG2  THR   5          2HG2      THR   5   3.002 -14.368 -14.368
   29   3HG2  THR   5          3HG2      THR   5   2.947 -14.825 -14.825
   30    H    CYS   6           HN       CYS   6   2.602 -11.113 -11.113
   31    HA   CYS   6           HA       CYS   6   4.738  -9.693  -9.693
   32   1HB   CYS   6          2HB       CYS   6   3.789 -10.021 -10.021
   33   2HB   CYS   6          3HB       CYS   6   5.394  -9.390  -9.390
   34    H    GLY   7           HN       GLY   7   5.304 -11.996 -11.996
   35   1HA   GLY   7          1HA       GLY   7   7.157 -13.346 -13.346
   36   2HA   GLY   7          2HA       GLY   7   7.557 -13.009 -13.009
   37    H    SER   8           HN       SER   8   5.125 -13.643 -13.643
   38    HA   SER   8           HA       SER   8   4.267 -16.202 -16.202
   39   1HB   SER   8          2HB       SER   8   5.308 -17.600 -17.600
   40   2HB   SER   8          3HB       SER   8   6.587 -16.424 -16.424
   41    HG   SER   8           HG       SER   8   4.642 -16.454 -16.454
   42    H    ASN   9           HN       ASN   9   2.779 -13.924 -13.924
   43    HA   ASN   9           HA       ASN   9   1.460 -14.391 -14.391
   44   1HB   ASN   9          2HB       ASN   9   1.490 -11.780 -11.780
   45   2HB   ASN   9          3HB       ASN   9   0.782 -12.010 -12.010
   46   1HD2  ASN   9          2HD2      ASN   9   4.914 -12.051 -12.051
   47   2HD2  ASN   9          1HD2      ASN   9   3.858 -12.612 -12.612
   48    H    CYS  10           HN       CYS  10  -0.866 -12.779 -12.779
   49    HA   CYS  10           HA       CYS  10  -1.905 -13.297 -13.297
   50   1HB   CYS  10          2HB       CYS  10  -1.874 -15.636 -15.636
   51   2HB   CYS  10          3HB       CYS  10  -2.898 -15.184 -15.184
   52    H    TYR  11           HN       TYR  11  -2.221 -10.974 -10.974
   53    HA   TYR  11           HA       TYR  11  -4.165 -10.471 -10.471
   54   1HB   TYR  11          2HB       TYR  11  -2.872  -8.530  -8.530
   55   2HB   TYR  11          3HB       TYR  11  -3.418  -8.167  -8.167
   56    HD1  TYR  11           HD1      TYR  11  -2.128  -9.257  -9.257
   57    HD2  TYR  11           HD2      TYR  11  -0.619  -9.069  -9.069
   58    HE1  TYR  11           HE1      TYR  11   0.234  -9.618  -9.618
   59    HE2  TYR  11           HE2      TYR  11   1.739  -9.432  -9.432
   60    HH   TYR  11           HH       TYR  11   2.934  -9.001  -9.001
   61    H    SER  12           HN       SER  12  -5.430 -11.986 -11.986
   62    HA   SER  12           HA       SER  12  -6.405 -11.199 -11.199
   63   1HB   SER  12          2HB       SER  12  -7.443 -12.704 -12.704
   64   2HB   SER  12          3HB       SER  12  -8.752 -11.671 -11.671
   65    HG   SER  12           HG       SER  12  -8.979 -12.878 -12.878
   66    H    SER  13           HN       SER  13  -8.170  -9.825  -9.825
   67    HA   SER  13           HA       SER  13  -8.005  -7.259  -7.259
   68   1HB   SER  13          2HB       SER  13 -10.443  -7.081  -7.081
   69   2HB   SER  13          3HB       SER  13  -9.294  -7.881  -7.881
   70    HG   SER  13           HG       SER  13 -10.320  -9.771  -9.771
   71    H    SER  14           HN       SER  14  -9.550  -9.695  -9.695
   72    HA   SER  14           HA       SER  14 -11.129  -7.819  -7.819
   73   1HB   SER  14          2HB       SER  14 -11.809 -10.200 -10.200
   74   2HB   SER  14          3HB       SER  14 -10.405 -10.718 -10.718
   75    HG   SER  14           HG       SER  14 -12.285  -8.861  -8.861
   76    H    ASP  15           HN       ASP  15  -7.865  -9.144  -9.144
   77    HA   ASP  15           HA       ASP  15  -7.473  -8.509  -8.509
   78   1HB   ASP  15          2HB       ASP  15  -5.907  -9.674  -9.674
   79   2HB   ASP  15          3HB       ASP  15  -4.942  -8.745  -8.745
   80    H    VAL  16           HN       VAL  16  -7.278  -6.931  -6.931
   81    HA   VAL  16           HA       VAL  16  -5.367  -4.953  -4.953
   82    HB   VAL  16           HB       VAL  16  -7.330  -5.343  -5.343
   83   1HG1  VAL  16          2HG1      VAL  16  -5.878  -2.859  -2.859
   84   2HG1  VAL  16          3HG1      VAL  16  -5.861  -3.304  -3.304
   85   3HG1  VAL  16          1HG1      VAL  16  -7.411  -3.068  -3.068
   86   1HG2  VAL  16          1HG2      VAL  16  -4.439  -5.787  -5.787
   87   2HG2  VAL  16          2HG2      VAL  16  -5.577  -6.633  -6.633
   88   3HG2  VAL  16          3HG2      VAL  16  -4.862  -5.082  -5.082
   89    H    SER  17           HN       SER  17  -8.891  -4.581  -4.581
   90    HA   SER  17           HA       SER  17  -9.285  -2.135  -2.135
   91   1HB   SER  17          2HB       SER  17 -10.971  -3.865  -3.865
   92   2HB   SER  17          3HB       SER  17 -11.231  -4.360  -4.360
   93    HG   SER  17           HG       SER  17 -12.158  -2.410  -2.410
   94    H    THR  18           HN       THR  18  -9.450  -5.116  -5.116
   95    HA   THR  18           HA       THR  18 -10.038  -3.929  -3.929
   96    HB   THR  18           HB       THR  18  -8.579  -6.402  -6.402
   97    HG1  THR  18           HG1      THR  18 -10.726  -5.834  -5.834
   98   1HG2  THR  18          2HG2      THR  18  -8.840  -5.503  -5.503
   99   2HG2  THR  18          3HG2      THR  18  -8.398  -7.144  -7.144
  100   3HG2  THR  18          1HG2      THR  18  -7.308  -5.776  -5.776
  101    H    ALA  19           HN       ALA  19  -6.769  -4.385  -4.385
  102    HA   ALA  19           HA       ALA  19  -5.369  -3.262  -3.262
  103   1HB   ALA  19          2HB       ALA  19  -4.523  -4.638  -4.638
  104   2HB   ALA  19          3HB       ALA  19  -4.580  -3.126  -3.126
  105   3HB   ALA  19          1HB       ALA  19  -3.520  -3.252  -3.252
  106    H    GLN  20           HN       GLN  20  -6.835  -1.820  -1.820
  107    HA   GLN  20           HA       GLN  20  -5.818   0.713   0.713
  108   1HB   GLN  20          2HB       GLN  20  -8.564   0.144   0.144
  109   2HB   GLN  20          3HB       GLN  20  -7.449   1.420   1.420
  110   1HG   GLN  20          2HG       GLN  20  -5.852  -0.244  -0.244
  111   2HG   GLN  20          3HG       GLN  20  -6.884  -1.558  -1.558
  112   1HE2  GLN  20          2HE2      GLN  20  -8.199   0.938   0.938
  113   2HE2  GLN  20          1HE2      GLN  20  -7.260   1.540   1.540
  114    H    ALA  21           HN       ALA  21  -9.071  -0.612  -0.612
  115    HA   ALA  21           HA       ALA  21 -10.272   1.440   1.440
  116   1HB   ALA  21          3HB       ALA  21 -10.547  -1.270  -1.270
  117   2HB   ALA  21          1HB       ALA  21 -10.118  -0.916  -0.916
  118   3HB   ALA  21          2HB       ALA  21 -11.533  -0.131  -0.131
  119    H    ALA  22           HN       ALA  22  -7.399  -0.244  -0.244
  120    HA   ALA  22           HA       ALA  22  -7.414   1.280   1.280
  121   1HB   ALA  22          1HB       ALA  22  -6.328  -1.061  -1.061
  122   2HB   ALA  22          2HB       ALA  22  -4.936  -0.025  -0.025
  123   3HB   ALA  22          3HB       ALA  22  -5.601  -0.032  -0.032
  124    H    GLY  23           HN       GLY  23  -5.350   1.310   1.310
  125   1HA   GLY  23          1HA       GLY  23  -3.799   3.511   3.511
  126   2HA   GLY  23          2HA       GLY  23  -4.208   2.976   2.976
  127    H    TYR  24           HN       TYR  24  -7.068   3.329   3.329
  128    HA   TYR  24           HA       TYR  24  -7.190   6.100   6.100
  129   1HB   TYR  24          2HB       TYR  24  -8.527   3.798   3.798
  130   2HB   TYR  24          3HB       TYR  24  -9.605   4.345   4.345
  131    HD1  TYR  24           HD2      TYR  24  -7.961   5.543   5.543
  132    HD2  TYR  24           HD1      TYR  24 -11.304   5.875   5.875
  133    HE1  TYR  24           HE2      TYR  24  -9.117   7.100   7.100
  134    HE2  TYR  24           HE1      TYR  24 -12.450   7.431   7.431
  135    HH   TYR  24           HH       TYR  24 -11.804   8.952   8.952
  136    H    LYS  25           HN       LYS  25  -9.137   4.139   4.139
  137    HA   LYS  25           HA       LYS  25 -10.271   6.175   6.175
  138   1HB   LYS  25          2HB       LYS  25 -10.725   3.766   3.766
  139   2HB   LYS  25          3HB       LYS  25  -9.211   3.594   3.594
  140   1HG   LYS  25          2HG       LYS  25 -10.964   3.868   3.868
  141   2HG   LYS  25          3HG       LYS  25 -10.003   5.335   5.335
  142   1HD   LYS  25          2HD       LYS  25 -11.667   6.525   6.525
  143   2HD   LYS  25          3HD       LYS  25 -12.560   5.048   5.048
  144   1HE   LYS  25          2HE       LYS  25 -13.714   6.284   6.284
  145   2HE   LYS  25          3HE       LYS  25 -13.025   4.837   4.837
  146   1HZ   LYS  25          2HZ       LYS  25 -11.036   6.520   6.520
  147   2HZ   LYS  25          3HZ       LYS  25 -12.272   7.586   7.586
  148   3HZ   LYS  25          1HZ       LYS  25 -12.232   6.336   6.336
  149    H    LEU  26           HN       LEU  26  -7.062   4.668   4.668
  150    HA   LEU  26           HA       LEU  26  -6.471   6.474   6.474
  151   1HB   LEU  26          2HB       LEU  26  -5.318   4.439   4.439
  152   2HB   LEU  26          3HB       LEU  26  -4.842   4.641   4.641
  153    HG   LEU  26           HG       LEU  26  -3.245   6.361   6.361
  154   1HD1  LEU  26          1HD1      LEU  26  -4.728   6.377   6.377
  155   2HD1  LEU  26          2HD1      LEU  26  -2.958   6.497   6.497
  156   3HD1  LEU  26          3HD1      LEU  26  -3.850   7.680   7.680
  157   1HD2  LEU  26          2HD2      LEU  26  -2.606   3.956   3.956
  158   2HD2  LEU  26          3HD2      LEU  26  -1.641   5.047   5.047
  159   3HD2  LEU  26          1HD2      LEU  26  -2.924   4.048   4.048
  160    H    HIS  27           HN       HIS  27  -6.116   6.626   6.626
  161    HA   HIS  27           HA       HIS  27  -4.385   8.837   8.837
  162   1HB   HIS  27          2HB       HIS  27  -4.473   7.500   7.500
  163   2HB   HIS  27          3HB       HIS  27  -6.220   7.583   7.583
  164    HD1  HIS  27           HD1      HIS  27  -3.408  10.212  10.212
  165    HD2  HIS  27           HD2      HIS  27  -6.958   9.241   9.241
  166    HE1  HIS  27           HE1      HIS  27  -3.712  11.986  11.986
  167    HE2  HIS  27           HE2      HIS  27  -5.881  11.306  11.306
  168    H    GLU  28           HN       GLU  28  -7.980   8.488   8.488
  169    HA   GLU  28           HA       GLU  28  -8.448  11.205  11.205
  170   1HB   GLU  28          2HB       GLU  28 -10.637   9.933   9.933
  171   2HB   GLU  28          3HB       GLU  28 -10.557  10.444  10.444
  172   1HG   GLU  28          2HG       GLU  28  -9.389   8.312   8.312
  173   2HG   GLU  28          3HG       GLU  28  -9.469   7.801   7.801
  174    H    ASP  29           HN       ASP  29  -7.589   9.269   9.269
  175    HA   ASP  29           HA       ASP  29  -8.626  11.173  11.173
  176   1HB   ASP  29          2HB       ASP  29  -6.744   8.794   8.794
  177   2HB   ASP  29          3HB       ASP  29  -7.438   9.720   9.720
  178    H    GLY  30           HN       GLY  30  -5.689  10.516  10.516
  179   1HA   GLY  30          1HA       GLY  30  -3.834  11.792  11.792
  180   2HA   GLY  30          2HA       GLY  30  -4.442  12.926  12.926
  181    H    GLU  31           HN       GLU  31  -4.337   9.494   9.494
  182    HA   GLU  31           HA       GLU  31  -2.252  10.153  10.153
  183   1HB   GLU  31          2HB       GLU  31  -4.486   8.154   8.154
  184   2HB   GLU  31          3HB       GLU  31  -3.045   7.678   7.678
  185   1HG   GLU  31          2HG       GLU  31  -4.421  10.353  10.353
  186   2HG   GLU  31          3HG       GLU  31  -4.888   8.900   8.900
  187    H    THR  32           HN       THR  32  -0.866   7.972   7.972
  188    HA   THR  32           HA       THR  32  -0.047   6.787   6.787
  189    HB   THR  32           HB       THR  32   2.314   7.175   7.175
  190    HG1  THR  32           HG1      THR  32   1.674   7.121   7.121
  191   1HG2  THR  32          2HG2      THR  32   0.480   9.612   9.612
  192   2HG2  THR  32          3HG2      THR  32   2.248   9.768   9.768
  193   3HG2  THR  32          1HG2      THR  32   1.526   9.088   9.088
  194    H    VAL  33           HN       VAL  33   1.623   4.916   4.916
  195    HA   VAL  33           HA       VAL  33   0.722   3.517   3.517
  196    HB   VAL  33           HB       VAL  33   0.186   1.545   1.545
  197   1HG1  VAL  33          1HG1      VAL  33  -1.208   3.963   3.963
  198   2HG1  VAL  33          2HG1      VAL  33  -1.227   3.088   3.088
  199   3HG1  VAL  33          3HG1      VAL  33  -1.847   2.303   2.303
  200   1HG2  VAL  33          1HG2      VAL  33   1.996   1.623   1.623
  201   2HG2  VAL  33          2HG2      VAL  33   0.423   1.264   1.264
  202   3HG2  VAL  33          3HG2      VAL  33   1.123   2.896   2.896
  203    H    GLY  34           HN       GLY  34   2.366   2.447   2.447
  204   1HA   GLY  34          1HA       GLY  34   4.393   1.467   1.467
  205   2HA   GLY  34          2HA       GLY  34   4.731   1.611   1.611
  206    H    SER  35           HN       SER  35   6.882   2.397   2.397
  207    HA   SER  35           HA       SER  35   7.066   4.903   4.903
  208   1HB   SER  35          2HB       SER  35   9.474   4.550   4.550
  209   2HB   SER  35          3HB       SER  35   8.698   3.066   3.066
  210    HG   SER  35           HG       SER  35  10.414   3.375   3.375
  211    H    ASN  36           HN       ASN  36   6.396   3.818   3.818
  212    HA   ASN  36           HA       ASN  36   8.014   5.743   5.743
  213   1HB   ASN  36          2HB       ASN  36   6.284   3.440   3.440
  214   2HB   ASN  36          3HB       ASN  36   6.086   4.787   4.787
  215   1HD2  ASN  36          2HD2      ASN  36   8.733   2.850   2.850
  216   2HD2  ASN  36          1HD2      ASN  36   7.018   2.842   2.842
  217    H    SER  37           HN       SER  37   6.099   6.541   6.541
  218    HA   SER  37           HA       SER  37   4.178   8.025   8.025
  219   1HB   SER  37          2HB       SER  37   4.458   9.879   9.879
  220   2HB   SER  37          3HB       SER  37   5.812   9.640   9.640
  221    HG   SER  37           HG       SER  37   5.742   8.265   8.265
  222    H    TYR  38           HN       TYR  38   3.531   5.526   5.526
  223    HA   TYR  38           HA       TYR  38   2.229   6.047   6.047
  224   1HB   TYR  38          2HB       TYR  38   2.633   3.631   3.631
  225   2HB   TYR  38          3HB       TYR  38   1.752   3.510   3.510
  226    HD1  TYR  38           HD2      TYR  38   4.845   5.510   5.510
  227    HD2  TYR  38           HD1      TYR  38   3.142   1.976   1.976
  228    HE1  TYR  38           HE2      TYR  38   7.018   5.053   5.053
  229    HE2  TYR  38           HE1      TYR  38   5.321   1.530   1.530
  230    HH   TYR  38           HH       TYR  38   7.792   2.155   2.155
  231    HA   PRO  39           HA       PRO  39   0.761   5.181   5.181
  232   1HB   PRO  39          2HB       PRO  39  -1.369   6.289   6.289
  233   2HB   PRO  39          3HB       PRO  39  -1.320   4.611   4.611
  234   1HG   PRO  39          2HG       PRO  39  -2.817   6.860   6.860
  235   2HG   PRO  39          3HG       PRO  39  -3.073   5.138   5.138
  236   1HD   PRO  39          2HD       PRO  39  -1.827   6.922   6.922
  237   2HD   PRO  39          3HD       PRO  39  -1.979   5.183   5.183
  238    H    HIS  40           HN       HIS  40   0.625   6.746   6.746
  239    HA   HIS  40           HA       HIS  40   0.778   9.443   9.443
  240   1HB   HIS  40          2HB       HIS  40   3.117   9.946   9.946
  241   2HB   HIS  40          3HB       HIS  40   2.639   8.921   8.921
  242    HD1  HIS  40           HD1      HIS  40   4.642   8.850   8.850
  243    HD2  HIS  40           HD2      HIS  40   3.922   6.436   6.436
  244    HE1  HIS  40           HE1      HIS  40   6.344   6.952   6.952
  245    HE2  HIS  40           HE2      HIS  40   5.889   5.533   5.533
  246    H    LYS  41           HN       LYS  41   1.818  10.594  10.594
  247    HA   LYS  41           HA       LYS  41   0.946   9.605   9.605
  248   1HB   LYS  41          2HB       LYS  41   2.288  11.867  11.867
  249   2HB   LYS  41          3HB       LYS  41   3.422  11.162  11.162
  250   1HG   LYS  41          2HG       LYS  41   1.404  10.902  10.902
  251   2HG   LYS  41          3HG       LYS  41   0.525  11.947  11.947
  252   1HD   LYS  41          2HD       LYS  41   2.718  13.485  13.485
  253   2HD   LYS  41          3HD       LYS  41   2.887  12.599  12.599
  254   1HE   LYS  41          2HE       LYS  41   1.578  14.473  14.473
  255   2HE   LYS  41          3HE       LYS  41   0.386  13.202  13.202
  256   1HZ   LYS  41          3HZ       LYS  41   0.647  14.275  14.275
  257   2HZ   LYS  41          1HZ       LYS  41   0.693  15.575  15.575
  258   3HZ   LYS  41          2HZ       LYS  41  -0.577  14.551  14.551
  259    H    TYR  42           HN       TYR  42   2.272   8.915   8.915
  260    HA   TYR  42           HA       TYR  42   4.615   7.347   7.347
  261   1HB   TYR  42          2HB       TYR  42   2.759   5.789   5.789
  262   2HB   TYR  42          3HB       TYR  42   1.875   6.312   6.312
  263    HD1  TYR  42           HD1      TYR  42   2.532   5.537   5.537
  264    HD2  TYR  42           HD2      TYR  42   4.552   4.157   4.157
  265    HE1  TYR  42           HE1      TYR  42   3.549   3.624   3.624
  266    HE2  TYR  42           HE2      TYR  42   5.564   2.248   2.248
  267    HH   TYR  42           HH       TYR  42   6.039   1.615   1.615
  268    H    ASN  43           HN       ASN  43   3.362   9.656   9.656
  269    HA   ASN  43           HA       ASN  43   3.059   9.588   9.588
  270   1HB   ASN  43          2HB       ASN  43   5.402  10.797  10.797
  271   2HB   ASN  43          3HB       ASN  43   5.602  10.679  10.679
  272   1HD2  ASN  43          2HD2      ASN  43   2.096  12.561  12.561
  273   2HD2  ASN  43          1HD2      ASN  43   2.515  10.976  10.976
  274    H    ASN  44           HN       ASN  44   3.123   7.387   7.387
  275    HA   ASN  44           HA       ASN  44   5.193   5.688   5.688
  276   1HB   ASN  44          2HB       ASN  44   4.109   4.570   4.570
  277   2HB   ASN  44          3HB       ASN  44   2.808   5.456   5.456
  278   1HD2  ASN  44          2HD2      ASN  44   4.271   6.521   6.521
  279   2HD2  ASN  44          1HD2      ASN  44   5.149   5.493   5.493
  280    H    TYR  45           HN       TYR  45   6.736   5.092   5.092
  281    HA   TYR  45           HA       TYR  45   7.316   6.983   6.983
  282   1HB   TYR  45          2HB       TYR  45   8.611   7.098   7.098
  283   2HB   TYR  45          3HB       TYR  45   9.738   7.158   7.158
  284    HD1  TYR  45           HD1      TYR  45   6.884   8.577   8.577
  285    HD2  TYR  45           HD2      TYR  45   9.941   9.430   9.430
  286    HE1  TYR  45           HE1      TYR  45   6.442  11.067  11.067
  287    HE2  TYR  45           HE2      TYR  45   9.488  11.918  11.918
  288    HH   TYR  45           HH       TYR  45   7.658  13.150  13.150
  289    H    GLU  46           HN       GLU  46   8.597   4.432   4.432
  290    HA   GLU  46           HA       GLU  46  10.633   3.489   3.489
  291   1HB   GLU  46          2HB       GLU  46   8.533   1.799   1.799
  292   2HB   GLU  46          3HB       GLU  46  10.150   1.264   1.264
  293   1HG   GLU  46          2HG       GLU  46  10.972   3.355   3.355
  294   2HG   GLU  46          3HG       GLU  46   9.343   3.408   3.408
  295    H    GLY  47           HN       GLY  47   7.277   3.545   3.545
  296   1HA   GLY  47          1HA       GLY  47   6.879   3.264   3.264
  297   2HA   GLY  47          2HA       GLY  47   7.915   1.850   1.850
  298    H    PHE  48           HN       PHE  48   5.158   3.054   3.054
  299    HA   PHE  48           HA       PHE  48   4.087   0.343   0.343
  300   1HB   PHE  48          2HB       PHE  48   3.569   2.901   2.901
  301   2HB   PHE  48          3HB       PHE  48   2.590   1.461   1.461
  302    HD1  PHE  48           HD2      PHE  48   3.624  -0.617  -0.617
  303    HD2  PHE  48           HD1      PHE  48   5.738   3.061   3.061
  304    HE1  PHE  48           HE2      PHE  48   5.274  -1.507  -1.507
  305    HE2  PHE  48           HE1      PHE  48   7.388   2.171   2.171
  306    HZ   PHE  48           HZ       PHE  48   7.136  -0.102  -0.102
  307    H    ASP  49           HN       ASP  49   2.123  -0.177  -0.177
  308    HA   ASP  49           HA       ASP  49   0.989   1.921   1.921
  309   1HB   ASP  49          2HB       ASP  49  -0.098  -0.888  -0.888
  310   2HB   ASP  49          3HB       ASP  49   0.086   0.210   0.210
  311    H    PHE  50           HN       PHE  50   0.178   2.894   2.894
  312    HA   PHE  50           HA       PHE  50  -1.879   1.467   1.467
  313   1HB   PHE  50          2HB       PHE  50  -0.856   4.364   4.364
  314   2HB   PHE  50          3HB       PHE  50  -2.120   3.862   3.862
  315    HD1  PHE  50           HD1      PHE  50  -0.263   1.038   1.038
  316    HD2  PHE  50           HD2      PHE  50   0.092   5.045   5.045
  317    HE1  PHE  50           HE1      PHE  50   1.475   0.323   0.323
  318    HE2  PHE  50           HE2      PHE  50   1.831   4.330   4.330
  319    HZ   PHE  50           HZ       PHE  50   2.501   1.978   1.978
  320    H    SER  51           HN       SER  51  -3.793   1.054   1.054
  321    HA   SER  51           HA       SER  51  -4.745   2.826   2.826
  322   1HB   SER  51          2HB       SER  51  -6.651   1.262   1.262
  323   2HB   SER  51          3HB       SER  51  -5.130   0.391   0.391
  324    HG   SER  51           HG       SER  51  -7.099  -0.204  -0.204
  325    H    VAL  52           HN       VAL  52  -4.360   3.893   3.893
  326    HA   VAL  52           HA       VAL  52  -7.129   4.774   4.774
  327    HB   VAL  52           HB       VAL  52  -6.725   4.824   4.824
  328   1HG1  VAL  52          1HG1      VAL  52  -7.555   2.721   2.721
  329   2HG1  VAL  52          2HG1      VAL  52  -5.883   2.150   2.150
  330   3HG1  VAL  52          3HG1      VAL  52  -6.525   2.418   2.418
  331   1HG2  VAL  52          3HG2      VAL  52  -3.912   4.389   4.389
  332   2HG2  VAL  52          1HG2      VAL  52  -4.583   5.258   5.258
  333   3HG2  VAL  52          2HG2      VAL  52  -4.442   3.484   3.484
  334    H    SER  53           HN       SER  53  -7.308   6.989   6.989
  335    HA   SER  53           HA       SER  53  -5.269   8.616   8.616
  336   1HB   SER  53          2HB       SER  53  -7.825   8.969   8.969
  337   2HB   SER  53          3HB       SER  53  -7.773   9.570   9.570
  338    HG   SER  53           HG       SER  53  -6.455  10.657  10.657
  339    H    SER  54           HN       SER  54  -4.101  10.303  10.303
  340    HA   SER  54           HA       SER  54  -3.384   9.479   9.479
  341   1HB   SER  54          2HB       SER  54  -1.605  10.931  10.931
  342   2HB   SER  54          3HB       SER  54  -2.043  10.759  10.759
  343    HG   SER  54           HG       SER  54  -3.553  12.714  12.714
  344    HA   PRO  55           HA       PRO  55  -2.094  11.279  11.279
  345   1HB   PRO  55          2HB       PRO  55  -1.848  11.651  11.651
  346   2HB   PRO  55          3HB       PRO  55  -1.653  12.943  12.943
  347   1HG   PRO  55          2HG       PRO  55  -3.930  12.406  12.406
  348   2HG   PRO  55          3HG       PRO  55  -3.526  13.887  13.887
  349   1HD   PRO  55          2HD       PRO  55  -5.574  12.009  12.009
  350   2HD   PRO  55          3HD       PRO  55  -5.092  13.427  13.427
  351    H    TYR  56           HN       TYR  56  -0.721   9.600   9.600
  352    HA   TYR  56           HA       TYR  56  -2.414   7.298   7.298
  353   1HB   TYR  56          2HB       TYR  56   0.521   7.747   7.747
  354   2HB   TYR  56          3HB       TYR  56  -0.152   6.153   6.153
  355    HD1  TYR  56           HD1      TYR  56  -2.900   6.723   6.723
  356    HD2  TYR  56           HD2      TYR  56   1.114   7.462   7.462
  357    HE1  TYR  56           HE1      TYR  56  -3.649   6.621   6.621
  358    HE2  TYR  56           HE2      TYR  56   0.353   7.358   7.358
  359    HH   TYR  56           HH       TYR  56  -2.933   7.438   7.438
  360    H    TYR  57           HN       TYR  57  -2.418   6.316   6.316
  361    HA   TYR  57           HA       TYR  57  -0.472   7.346   7.346
  362   1HB   TYR  57          2HB       TYR  57  -3.215   5.969   5.969
  363   2HB   TYR  57          3HB       TYR  57  -2.299   6.672   6.672
  364    HD1  TYR  57           HD2      TYR  57  -1.536   9.041   9.041
  365    HD2  TYR  57           HD1      TYR  57  -5.086   7.442   7.442
  366    HE1  TYR  57           HE2      TYR  57  -2.724  11.260  11.260
  367    HE2  TYR  57           HE1      TYR  57  -6.261   9.667   9.667
  368    HH   TYR  57           HH       TYR  57  -5.566  11.762  11.762
  369    H    GLU  58           HN       GLU  58   1.094   5.962   5.962
  370    HA   GLU  58           HA       GLU  58   0.761   3.188   3.188
  371   1HB   GLU  58          2HB       GLU  58   3.173   3.022   3.022
  372   2HB   GLU  58          3HB       GLU  58   2.891   4.186   4.186
  373   1HG   GLU  58          2HG       GLU  58   3.031   6.056   6.056
  374   2HG   GLU  58          3HG       GLU  58   2.942   5.006   5.006
  375    H    TRP  59           HN       TRP  59   0.407   1.526   1.526
  376    HA   TRP  59           HA       TRP  59   0.791   2.064   2.064
  377   1HB   TRP  59          2HB       TRP  59  -1.409   2.840   2.840
  378   2HB   TRP  59          3HB       TRP  59  -1.894   1.607   1.607
  379    HD1  TRP  59           HD1      TRP  59  -2.737  -0.723  -0.723
  380    HE1  TRP  59           HE1      TRP  59  -3.275  -1.663  -1.663
  381    HE3  TRP  59           HE3      TRP  59  -0.522   3.076   3.076
  382    HZ2  TRP  59           HZ2      TRP  59  -2.726  -0.732  -0.732
  383    HZ3  TRP  59           HZ3      TRP  59  -0.567   2.984   2.984
  384    HH2  TRP  59           HH2      TRP  59  -1.620   1.165   1.165
  385    HA   PRO  60           HA       PRO  60   1.888  -2.129  -2.129
  386   1HB   PRO  60          2HB       PRO  60   1.795  -2.893  -2.893
  387   2HB   PRO  60          3HB       PRO  60   3.143  -2.015  -2.015
  388   1HG   PRO  60          2HG       PRO  60   1.004  -1.022  -1.022
  389   2HG   PRO  60          3HG       PRO  60   2.560  -0.299  -0.299
  390   1HD   PRO  60          2HD       PRO  60   0.015   0.510   0.510
  391   2HD   PRO  60          3HD       PRO  60   1.582   1.155   1.155
  392    H    ILE  61           HN       ILE  61   1.178  -4.268  -4.268
  393    HA   ILE  61           HA       ILE  61  -1.698  -4.447  -4.447
  394    HB   ILE  61           HB       ILE  61  -1.106  -4.375  -4.375
  395   1HG1  ILE  61          2HG1      ILE  61  -2.125  -7.138  -7.138
  396   2HG1  ILE  61          3HG1      ILE  61  -3.049  -5.729  -5.729
  397   1HG2  ILE  61          1HG2      ILE  61   0.412  -6.920  -6.920
  398   2HG2  ILE  61          2HG2      ILE  61  -0.004  -6.361  -6.361
  399   3HG2  ILE  61          3HG2      ILE  61   1.077  -5.386  -5.386
  400   1HD1  ILE  61          1HD1      ILE  61  -2.822  -4.902  -4.902
  401   2HD1  ILE  61          2HD1      ILE  61  -2.195  -6.523  -6.523
  402   3HD1  ILE  61          3HD1      ILE  61  -3.849  -6.335  -6.335
  403    H    LEU  62           HN       LEU  62  -2.240  -5.824  -5.824
  404    HA   LEU  62           HA       LEU  62  -0.202  -7.631  -7.631
  405   1HB   LEU  62          2HB       LEU  62  -2.896  -6.734  -6.734
  406   2HB   LEU  62          3HB       LEU  62  -2.032  -8.067  -8.067
  407    HG   LEU  62           HG       LEU  62  -0.996  -5.229  -5.229
  408   1HD1  LEU  62          1HD1      LEU  62  -2.396  -6.704  -6.704
  409   2HD1  LEU  62          2HD1      LEU  62  -1.229  -5.410  -5.410
  410   3HD1  LEU  62          3HD1      LEU  62  -2.667  -5.057  -5.057
  411   1HD2  LEU  62          1HD2      LEU  62   0.418  -7.647  -7.647
  412   2HD2  LEU  62          2HD2      LEU  62   1.022  -5.978  -5.978
  413   3HD2  LEU  62          3HD2      LEU  62   0.374  -6.813  -6.813
  414    H    SER  63           HN       SER  63  -0.095  -9.780  -9.780
  415    HA   SER  63           HA       SER  63  -1.782 -10.827 -10.827
  416   1HB   SER  63          2HB       SER  63  -0.349 -12.647 -12.647
  417   2HB   SER  63          3HB       SER  63   0.683 -11.458 -11.458
  418    HG   SER  63           HG       SER  63   0.561 -13.568 -13.568
  419    H    SER  64           HN       SER  64  -2.583 -10.046 -10.046
  420    HA   SER  64           HA       SER  64  -4.155 -12.461 -12.461
  421   1HB   SER  64          2HB       SER  64  -2.932 -10.429 -10.429
  422   2HB   SER  64          3HB       SER  64  -4.486 -11.075 -11.075
  423    HG   SER  64           HG       SER  64  -3.606 -13.223 -13.223
  424    H    GLY  65           HN       GLY  65  -4.279  -9.261  -9.261
  425   1HA   GLY  65          1HA       GLY  65  -6.055  -8.114  -8.114
  426   2HA   GLY  65          2HA       GLY  65  -7.146  -9.329  -9.329
  427    H    ASP  66           HN       ASP  66  -4.650  -7.409  -7.409
  428    HA   ASP  66           HA       ASP  66  -6.867  -6.190  -6.190
  429   1HB   ASP  66          2HB       ASP  66  -4.230  -7.311  -7.311
  430   2HB   ASP  66          3HB       ASP  66  -5.159  -6.159  -6.159
  431    H    VAL  67           HN       VAL  67  -5.476  -4.341  -4.341
  432    HA   VAL  67           HA       VAL  67  -4.255  -2.665  -2.665
  433    HB   VAL  67           HB       VAL  67  -5.438  -2.113  -2.113
  434   1HG1  VAL  67          3HG1      VAL  67  -3.495  -0.646  -0.646
  435   2HG1  VAL  67          1HG1      VAL  67  -4.172  -0.135  -0.135
  436   3HG1  VAL  67          2HG1      VAL  67  -5.022   0.267   0.267
  437   1HG2  VAL  67          3HG2      VAL  67  -6.396  -1.942  -1.942
  438   2HG2  VAL  67          1HG2      VAL  67  -7.301  -2.173  -2.173
  439   3HG2  VAL  67          2HG2      VAL  67  -6.780  -0.543  -0.543
  440    H    TYR  68           HN       TYR  68  -2.085  -2.413  -2.413
  441    HA   TYR  68           HA       TYR  68  -0.418  -3.733  -3.733
  442   1HB   TYR  68          2HB       TYR  68   0.008  -3.286  -3.286
  443   2HB   TYR  68          3HB       TYR  68   0.041  -1.565  -1.565
  444    HD1  TYR  68           HD1      TYR  68   1.735  -4.694  -4.694
  445    HD2  TYR  68           HD2      TYR  68   2.120  -0.559  -0.559
  446    HE1  TYR  68           HE1      TYR  68   4.239  -4.814  -4.814
  447    HE2  TYR  68           HE2      TYR  68   4.624  -0.695  -0.695
  448    HH   TYR  68           HH       TYR  68   6.308  -1.999  -1.999
  449    H    SER  69           HN       SER  69   1.514  -2.546  -2.546
  450    HA   SER  69           HA       SER  69   1.100   0.158   0.158
  451   1HB   SER  69          2HB       SER  69   0.602  -0.053  -0.053
  452   2HB   SER  69          3HB       SER  69  -0.587  -1.011  -1.011
  453    HG   SER  69           HG       SER  69   1.303  -1.812  -1.812
  454    H    GLY  70           HN       GLY  70   3.289  -0.212  -0.212
  455   1HA   GLY  70          1HA       GLY  70   5.349  -0.194  -0.194
  456   2HA   GLY  70          2HA       GLY  70   5.329  -1.736  -1.736
  457    H    GLY  71           HN       GLY  71   7.416  -1.238  -1.238
  458   1HA   GLY  71          1HA       GLY  71   7.227   0.764   0.764
  459   2HA   GLY  71          2HA       GLY  71   8.687   0.443   0.443
  460    H    SER  72           HN       SER  72   7.889  -2.559  -2.559
  461    HA   SER  72           HA       SER  72   8.788  -3.116  -3.116
  462   1HB   SER  72          2HB       SER  72   9.637  -5.307  -5.307
  463   2HB   SER  72          3HB       SER  72  10.525  -3.834  -3.834
  464    HG   SER  72           HG       SER  72   8.401  -4.411  -4.411
  465    HA   PRO  73           HA       PRO  73   4.664  -4.988  -4.988
  466   1HB   PRO  73          2HB       PRO  73   3.467  -3.886  -3.886
  467   2HB   PRO  73          3HB       PRO  73   3.348  -3.192  -3.192
  468   1HG   PRO  73          2HG       PRO  73   4.967  -2.278  -2.278
  469   2HG   PRO  73          3HG       PRO  73   4.504  -1.391  -1.391
  470   1HD   PRO  73          2HD       PRO  73   7.073  -2.541  -2.541
  471   2HD   PRO  73          3HD       PRO  73   6.576  -1.756  -1.756
  472    H    GLY  74           HN       GLY  74   6.779  -6.445  -6.445
  473   1HA   GLY  74          1HA       GLY  74   7.339  -8.258  -8.258
  474   2HA   GLY  74          2HA       GLY  74   5.685  -8.312  -8.312
  475    H    ALA  75           HN       ALA  75   6.854  -5.223  -5.223
  476    HA   ALA  75           HA       ALA  75   8.024  -4.357  -4.357
  477   1HB   ALA  75          2HB       ALA  75   9.047  -6.807  -6.807
  478   2HB   ALA  75          3HB       ALA  75   7.954  -6.918  -6.918
  479   3HB   ALA  75          1HB       ALA  75   9.203  -5.652  -5.652
  480    H    ASP  76           HN       ASP  76   5.272  -6.592  -6.592
  481    HA   ASP  76           HA       ASP  76   4.324  -5.752  -5.752
  482   1HB   ASP  76          2HB       ASP  76   2.375  -6.350  -6.350
  483   2HB   ASP  76          3HB       ASP  76   2.372  -6.924  -6.924
  484    H    ARG  77           HN       ARG  77   3.030  -3.953  -3.953
  485    HA   ARG  77           HA       ARG  77   1.901  -2.335  -2.335
  486   1HB   ARG  77          2HB       ARG  77   3.704  -1.003  -1.003
  487   2HB   ARG  77          3HB       ARG  77   3.016  -0.280  -0.280
  488   1HG   ARG  77          2HG       ARG  77   4.711  -2.683  -2.683
  489   2HG   ARG  77          3HG       ARG  77   5.571  -1.308  -1.308
  490   1HD   ARG  77          2HD       ARG  77   4.113  -0.007  -0.007
  491   2HD   ARG  77          3HD       ARG  77   4.190  -1.586  -1.586
  492    HE   ARG  77           HE       ARG  77   6.407   0.275   0.275
  493   1HH1  ARG  77           HH2      ARG  77   5.577  -3.124  -3.124
  494   2HH1  ARG  77           HH2      ARG  77   7.131  -3.568  -3.568
  495   1HH2  ARG  77           HH1      ARG  77   8.459  -0.310  -0.310
  496   2HH2  ARG  77           HH1      ARG  77   8.782  -1.957  -1.957
  497    H    VAL  78           HN       VAL  78   0.036  -1.214  -1.214
  498    HA   VAL  78           HA       VAL  78  -0.633  -1.733  -1.733
  499    HB   VAL  78           HB       VAL  78  -2.308  -2.740  -2.740
  500   1HG1  VAL  78          3HG1      VAL  78  -1.739  -0.791  -0.791
  501   2HG1  VAL  78          1HG1      VAL  78  -3.205  -1.801  -1.801
  502   3HG1  VAL  78          2HG1      VAL  78  -1.598  -2.566  -2.566
  503   1HG2  VAL  78          1HG2      VAL  78  -2.982   0.048   0.048
  504   2HG2  VAL  78          2HG2      VAL  78  -3.858  -1.454  -1.454
  505   3HG2  VAL  78          3HG2      VAL  78  -4.058  -0.685  -0.685
  506    H    VAL  79           HN       VAL  79  -0.765  -0.049  -0.049
  507    HA   VAL  79           HA       VAL  79  -0.608   2.627   2.627
  508    HB   VAL  79           HB       VAL  79   0.153   1.516   1.516
  509   1HG1  VAL  79          3HG1      VAL  79  -0.779   4.096   4.096
  510   2HG1  VAL  79          1HG1      VAL  79   0.992   4.262   4.262
  511   3HG1  VAL  79          2HG1      VAL  79   0.206   3.565   3.565
  512   1HG2  VAL  79          3HG2      VAL  79   1.572   1.391   1.391
  513   2HG2  VAL  79          1HG2      VAL  79   2.316   1.553   1.553
  514   3HG2  VAL  79          2HG2      VAL  79   2.085   2.991   2.991
  515    H    PHE  80           HN       PHE  80  -2.362   3.935   3.935
  516    HA   PHE  80           HA       PHE  80  -4.313   3.445   3.445
  517   1HB   PHE  80          2HB       PHE  80  -6.106   3.574   3.574
  518   2HB   PHE  80          3HB       PHE  80  -4.992   2.292   2.292
  519    HD1  PHE  80           HD2      PHE  80  -3.021   3.042   3.042
  520    HD2  PHE  80           HD1      PHE  80  -6.702   5.111   5.111
  521    HE1  PHE  80           HE2      PHE  80  -2.679   4.100   4.100
  522    HE2  PHE  80           HE1      PHE  80  -6.361   6.170   6.170
  523    HZ   PHE  80           HZ       PHE  80  -4.353   5.652   5.652
  524    H    ASN  81           HN       ASN  81  -6.225   5.359   5.359
  525    HA   ASN  81           HA       ASN  81  -4.614   7.779   7.779
  526   1HB   ASN  81          2HB       ASN  81  -7.216   7.858   7.858
  527   2HB   ASN  81          3HB       ASN  81  -5.736   8.746   8.746
  528   1HD2  ASN  81          2HD2      ASN  81  -6.286   4.907   4.907
  529   2HD2  ASN  81          1HD2      ASN  81  -7.183   5.516   5.516
  530    H    GLU  82           HN       GLU  82  -6.751   9.644   9.644
  531    HA   GLU  82           HA       GLU  82  -7.859   8.983   8.983
  532   1HB   GLU  82          2HB       GLU  82  -7.005  11.165  11.165
  533   2HB   GLU  82          3HB       GLU  82  -7.529  11.498  11.498
  534   1HG   GLU  82          2HG       GLU  82  -9.813  11.805  11.805
  535   2HG   GLU  82          3HG       GLU  82  -9.562  11.018  11.018
  536    H    ASN  83           HN       ASN  83  -8.745   7.912   7.912
  537    HA   ASN  83           HA       ASN  83 -11.508   8.784   8.784
  538   1HB   ASN  83          2HB       ASN  83 -11.244   7.056   7.056
  539   2HB   ASN  83          3HB       ASN  83 -11.271   8.808   8.808
  540   1HD2  ASN  83          2HD2      ASN  83  -7.877   6.658   6.658
  541   2HD2  ASN  83          1HD2      ASN  83  -9.406   5.953   5.953
  542    H    ASN  84           HN       ASN  84  -9.258   6.121   6.121
  543    HA   ASN  84           HA       ASN  84  -9.869   4.425   4.425
  544   1HB   ASN  84          2HB       ASN  84 -12.055   3.478   3.478
  545   2HB   ASN  84          3HB       ASN  84 -12.373   5.175   5.175
  546   1HD2  ASN  84          2HD2      ASN  84 -12.547   4.159   4.159
  547   2HD2  ASN  84          1HD2      ASN  84 -11.277   4.876   4.876
  548    H    GLN  85           HN       GLN  85  -8.770   4.866   4.866
  549    HA   GLN  85           HA       GLN  85  -9.276   2.200   2.200
  550   1HB   GLN  85          2HB       GLN  85  -8.169   4.693   4.693
  551   2HB   GLN  85          3HB       GLN  85  -8.327   3.131   3.131
  552   1HG   GLN  85          2HG       GLN  85 -10.759   3.156   3.156
  553   2HG   GLN  85          3HG       GLN  85 -10.680   4.592   4.592
  554   1HE2  GLN  85          2HE2      GLN  85 -10.459   6.919   6.919
  555   2HE2  GLN  85          1HE2      GLN  85 -10.379   6.588   6.588
  556    H    LEU  86           HN       LEU  86  -7.618   0.701   0.701
  557    HA   LEU  86           HA       LEU  86  -5.115   1.508   1.508
  558   1HB   LEU  86          2HB       LEU  86  -5.936  -0.417  -0.417
  559   2HB   LEU  86          3HB       LEU  86  -6.510  -1.079  -1.079
  560    HG   LEU  86           HG       LEU  86  -4.537  -2.249  -2.249
  561   1HD1  LEU  86          2HD1      LEU  86  -5.202  -2.377  -2.377
  562   2HD1  LEU  86          3HD1      LEU  86  -3.948  -1.157  -1.157
  563   3HD1  LEU  86          1HD1      LEU  86  -3.494  -2.738  -2.738
  564   1HD2  LEU  86          1HD2      LEU  86  -3.499   0.206   0.206
  565   2HD2  LEU  86          2HD2      LEU  86  -2.527  -1.283  -1.283
  566   3HD2  LEU  86          3HD2      LEU  86  -2.664  -0.224  -0.224
  567    H    ALA  87           HN       ALA  87  -3.153   1.633   1.633
  568    HA   ALA  87           HA       ALA  87  -3.246   1.887   1.887
  569   1HB   ALA  87          3HB       ALA  87  -1.570   2.663   2.663
  570   2HB   ALA  87          1HB       ALA  87  -0.564   1.716   1.716
  571   3HB   ALA  87          2HB       ALA  87  -1.446   3.147   3.147
  572    H    GLY  88           HN       GLY  88  -1.938  -0.538  -0.538
  573   1HA   GLY  88          1HA       GLY  88  -2.349  -2.724  -2.724
  574   2HA   GLY  88          2HA       GLY  88  -0.705  -2.178  -2.178
  575    H    VAL  89           HN       VAL  89   0.672  -3.486  -3.486
  576    HA   VAL  89           HA       VAL  89   0.407  -3.580  -3.580
  577    HB   VAL  89           HB       VAL  89   0.025  -6.044  -6.044
  578   1HG1  VAL  89          1HG1      VAL  89   1.636  -5.915  -5.915
  579   2HG1  VAL  89          2HG1      VAL  89   0.074  -6.517  -6.517
  580   3HG1  VAL  89          3HG1      VAL  89   0.911  -7.377  -7.377
  581   1HG2  VAL  89          2HG2      VAL  89  -1.610  -4.668  -4.668
  582   2HG2  VAL  89          3HG2      VAL  89  -2.062  -5.020  -5.020
  583   3HG2  VAL  89          1HG2      VAL  89  -1.910  -6.347  -6.347
  584    H    ILE  90           HN       ILE  90   2.415  -2.515  -2.515
  585    HA   ILE  90           HA       ILE  90   4.597  -3.738  -3.738
  586    HB   ILE  90           HB       ILE  90   5.841  -1.809  -1.809
  587   1HG1  ILE  90          2HG1      ILE  90   4.171  -1.749  -1.749
  588   2HG1  ILE  90          3HG1      ILE  90   5.673  -0.903  -0.903
  589   1HG2  ILE  90          3HG2      ILE  90   3.911  -1.675  -1.675
  590   2HG2  ILE  90          1HG2      ILE  90   3.076  -0.704  -0.704
  591   3HG2  ILE  90          2HG2      ILE  90   4.635  -0.154  -0.154
  592   1HD1  ILE  90          3HD1      ILE  90   4.264   0.772   0.772
  593   2HD1  ILE  90          1HD1      ILE  90   2.844   0.016   0.016
  594   3HD1  ILE  90          2HD1      ILE  90   4.070   0.823   0.823
  595    H    THR  91           HN       THR  91   6.785  -3.712  -3.712
  596    HA   THR  91           HA       THR  91   6.429  -4.508  -4.508
  597    HB   THR  91           HB       THR  91   5.702  -6.633  -6.633
  598    HG1  THR  91           HG1      THR  91   7.874  -7.869  -7.869
  599   1HG2  THR  91          1HG2      THR  91   7.615  -6.376  -6.376
  600   2HG2  THR  91          2HG2      THR  91   6.617  -7.804  -7.804
  601   3HG2  THR  91          3HG2      THR  91   5.840  -6.265  -6.265
  602    H    HIS  92           HN       HIS  92   8.386  -4.616  -4.616
  603    HA   HIS  92           HA       HIS  92  10.469  -3.170  -3.170
  604   1HB   HIS  92          2HB       HIS  92  10.024  -4.363  -4.363
  605   2HB   HIS  92          3HB       HIS  92  11.619  -3.791  -3.791
  606    HD1  HIS  92           HD1      HIS  92  11.979  -1.518  -1.518
  607    HD2  HIS  92           HD2      HIS  92   8.044  -2.042  -2.042
  608    HE1  HIS  92           HE1      HIS  92  10.786   0.705   0.705
  609    HE2  HIS  92           HE2      HIS  92   8.389   0.338   0.338
  610    H    THR  93           HN       THR  93   9.560  -6.130  -6.130
  611    HA   THR  93           HA       THR  93  11.595  -7.898  -7.898
  612    HB   THR  93           HB       THR  93   9.553  -7.450  -7.450
  613    HG1  THR  93           HG1      THR  93   9.585  -8.624  -8.624
  614   1HG2  THR  93          3HG2      THR  93  12.069  -9.014  -9.014
  615   2HG2  THR  93          1HG2      THR  93  10.582  -9.961  -9.961
  616   3HG2  THR  93          2HG2      THR  93  10.887  -8.509  -8.509
  617    H    GLY  94           HN       GLY  94  13.604  -6.799  -6.799
  618   1HA   GLY  94          1HA       GLY  94  15.430  -5.691  -5.691
  619   2HA   GLY  94          2HA       GLY  94  15.428  -7.099  -7.099
  620    H    ALA  95           HN       ALA  95  12.996  -4.436  -4.436
  621    HA   ALA  95           HA       ALA  95  12.889  -4.175  -4.175
  622   1HB   ALA  95          1HB       ALA  95  12.323  -2.296  -2.296
  623   2HB   ALA  95          2HB       ALA  95  12.047  -1.801  -1.801
  624   3HB   ALA  95          3HB       ALA  95  11.171  -3.197  -3.197
  625    H    SER  96           HN       SER  96  15.169  -2.740  -2.740
  626    HA   SER  96           HA       SER  96  17.348  -2.514  -2.514
  627   1HB   SER  96          2HB       SER  96  16.643  -1.918  -1.918
  628   2HB   SER  96          3HB       SER  96  15.571  -0.660  -0.660
  629    HG   SER  96           HG       SER  96  17.632   0.107   0.107
  630    H    GLY  97           HN       GLY  97  16.100  -1.970  -1.970
  631   1HA   GLY  97          1HA       GLY  97  17.259  -0.571  -0.571
  632   2HA   GLY  97          2HA       GLY  97  17.045   0.784   0.784
  633    H    ASN  98           HN       ASN  98  15.411   2.158   2.158
  634    HA   ASN  98           HA       ASN  98  13.368   1.128   1.128
  635   1HB   ASN  98          2HB       ASN  98  14.411   3.249   3.249
  636   2HB   ASN  98          3HB       ASN  98  14.120   3.948   3.948
  637   1HD2  ASN  98          2HD2      ASN  98  10.625   3.044   3.044
  638   2HD2  ASN  98          1HD2      ASN  98  11.844   1.859   1.859
  639    H    ASN  99           HN       ASN  99  13.956   1.561   1.561
  640    HA   ASN  99           HA       ASN  99  11.635   2.717   2.717
  641   1HB   ASN  99          2HB       ASN  99  12.221   1.736   1.736
  642   2HB   ASN  99          3HB       ASN  99  13.713   2.189   2.189
  643   1HD2  ASN  99          1HD2      ASN  99  13.540   0.027   0.027
  644   2HD2  ASN  99          2HD2      ASN  99  13.983  -1.439  -1.439
  645    H    PHE 100           HN       PHE 100   9.952   1.356   1.356
  646    HA   PHE 100           HA       PHE 100   9.271  -1.073  -1.073
  647   1HB   PHE 100          2HB       PHE 100   7.671   1.277   1.277
  648   2HB   PHE 100          3HB       PHE 100   6.873  -0.259  -0.259
  649    HD1  PHE 100           HD2      PHE 100   7.451  -1.271  -1.271
  650    HD2  PHE 100           HD1      PHE 100   7.449   2.838   2.838
  651    HE1  PHE 100           HE2      PHE 100   7.078  -0.650  -0.650
  652    HE2  PHE 100           HE1      PHE 100   7.077   3.458   3.458
  653    HZ   PHE 100           HZ       PHE 100   6.896   1.707   1.707
  654    H    VAL 101           HN       VAL 101   7.580  -2.440  -2.440
  655    HA   VAL 101           HA       VAL 101   7.776  -2.225  -2.225
  656    HB   VAL 101           HB       VAL 101   8.988  -4.372  -4.372
  657   1HG1  VAL 101          1HG1      VAL 101  10.010  -2.016  -2.016
  658   2HG1  VAL 101          2HG1      VAL 101  10.781  -2.386  -2.386
  659   3HG1  VAL 101          3HG1      VAL 101  11.130  -3.394  -3.394
  660   1HG2  VAL 101          3HG2      VAL 101   9.464  -4.069  -4.069
  661   2HG2  VAL 101          1HG2      VAL 101   8.860  -5.482  -5.482
  662   3HG2  VAL 101          2HG2      VAL 101  10.567  -5.000  -5.000
  663    H    GLU 102           HN       GLU 102   6.043  -3.277  -3.277
  664    HA   GLU 102           HA       GLU 102   3.994  -4.092  -4.092
  665   1HB   GLU 102          2HB       GLU 102   4.252  -5.435  -5.435
  666   2HB   GLU 102          3HB       GLU 102   2.893  -4.565  -4.565
  667   1HG   GLU 102          2HG       GLU 102   4.435  -2.439  -2.439
  668   2HG   GLU 102          3HG       GLU 102   5.382  -3.429  -3.429
  669    H    CYS 103           HN       CYS 103   3.367  -5.971  -5.971
  670    HA   CYS 103           HA       CYS 103   5.232  -7.872  -7.872
  671   1HB   CYS 103          2HB       CYS 103   2.242  -7.774  -7.774
  672   2HB   CYS 103          3HB       CYS 103   3.068  -9.275  -9.275
  673    H    THR 104           HN       THR 104   3.084  -7.533  -7.533
  674    HA   THR 104           HA       THR 104   4.462  -9.688  -9.688
  675    HB   THR 104           HB       THR 104   1.999 -10.622 -10.622
  676    HG1  THR 104           HG1      THR 104   1.983  -9.204  -9.204
  677   1HG2  THR 104          3HG2      THR 104   4.046 -11.373 -11.373
  678   2HG2  THR 104          1HG2      THR 104   2.489 -11.501 -11.501
  679   3HG2  THR 104          2HG2      THR 104   2.753 -12.404 -12.404

  Start of MODEL   11
    1    H    ALA   1           HN       ALA   1  -7.748 -16.875 -16.875
    2    HA   ALA   1           HA       ALA   1  -9.276 -14.454 -14.454
    3   1HB   ALA   1          3HB       ALA   1  -9.827 -16.032 -16.032
    4   2HB   ALA   1          1HB       ALA   1  -8.346 -15.402 -15.402
    5   3HB   ALA   1          2HB       ALA   1  -9.684 -14.296 -14.296
    6    H    CYS   2           HN       CYS   2  -6.474 -15.258 -15.258
    7    HA   CYS   2           HA       CYS   2  -5.341 -12.894 -12.894
    8   1HB   CYS   2          2HB       CYS   2  -3.142 -14.543 -14.543
    9   2HB   CYS   2          3HB       CYS   2  -3.815 -14.147 -14.147
   10    H    ASP   3           HN       ASP   3  -4.444 -11.318 -11.318
   11    HA   ASP   3           HA       ASP   3  -3.789 -12.160 -12.160
   12   1HB   ASP   3          2HB       ASP   3  -5.588  -9.988  -9.988
   13   2HB   ASP   3          3HB       ASP   3  -4.490  -9.509  -9.509
   14    H    TYR   4           HN       TYR   4  -2.831 -10.826 -10.826
   15    HA   TYR   4           HA       TYR   4  -0.512  -9.542  -9.542
   16   1HB   TYR   4          2HB       TYR   4  -2.249  -8.653  -8.653
   17   2HB   TYR   4          3HB       TYR   4  -0.747  -7.865  -7.865
   18    HD1  TYR   4           HD2      TYR   4  -0.611  -6.896  -6.896
   19    HD2  TYR   4           HD1      TYR   4  -4.272  -7.888  -7.888
   20    HE1  TYR   4           HE2      TYR   4  -1.885  -5.362  -5.362
   21    HE2  TYR   4           HE1      TYR   4  -5.535  -6.351  -6.351
   22    HH   TYR   4           HH       TYR   4  -4.018  -5.004  -5.004
   23    H    THR   5           HN       THR   5   0.620 -11.563 -11.563
   24    HA   THR   5           HA       THR   5   0.897 -12.273 -12.273
   25    HB   THR   5           HB       THR   5   1.481 -13.570 -13.570
   26    HG1  THR   5           HG1      THR   5   0.340 -15.255 -15.255
   27   1HG2  THR   5          1HG2      THR   5   3.499 -13.921 -13.921
   28   2HG2  THR   5          2HG2      THR   5   2.370 -14.661 -14.661
   29   3HG2  THR   5          3HG2      THR   5   2.623 -15.407 -15.407
   30    H    CYS   6           HN       CYS   6   2.250 -10.974 -10.974
   31    HA   CYS   6           HA       CYS   6   4.523  -9.852  -9.852
   32   1HB   CYS   6          2HB       CYS   6   3.344  -9.644  -9.644
   33   2HB   CYS   6          3HB       CYS   6   4.987  -9.105  -9.105
   34    H    GLY   7           HN       GLY   7   5.106 -12.307 -12.307
   35   1HA   GLY   7          1HA       GLY   7   6.700 -13.882 -13.882
   36   2HA   GLY   7          2HA       GLY   7   7.352 -12.984 -12.984
   37    H    SER   8           HN       SER   8   5.404 -12.941 -12.941
   38    HA   SER   8           HA       SER   8   4.621 -15.730 -15.730
   39   1HB   SER   8          2HB       SER   8   5.447 -15.859 -15.859
   40   2HB   SER   8          3HB       SER   8   6.740 -15.097 -15.097
   41    HG   SER   8           HG       SER   8   6.154 -13.059 -13.059
   42    H    ASN   9           HN       ASN   9   2.795 -13.998 -13.998
   43    HA   ASN   9           HA       ASN   9   1.099 -13.562 -13.562
   44   1HB   ASN   9          2HB       ASN   9   1.388 -11.539 -11.539
   45   2HB   ASN   9          3HB       ASN   9   0.359 -11.364 -11.364
   46   1HD2  ASN   9          2HD2      ASN   9   4.487 -11.183 -11.183
   47   2HD2  ASN   9          1HD2      ASN   9   3.748 -12.210 -12.210
   48    H    CYS  10           HN       CYS  10  -1.207 -12.660 -12.660
   49    HA   CYS  10           HA       CYS  10  -1.723 -13.686 -13.686
   50   1HB   CYS  10          2HB       CYS  10  -1.450 -15.779 -15.779
   51   2HB   CYS  10          3HB       CYS  10  -3.168 -15.464 -15.464
   52    H    TYR  11           HN       TYR  11  -2.330 -11.278 -11.278
   53    HA   TYR  11           HA       TYR  11  -5.147 -11.382 -11.382
   54   1HB   TYR  11          2HB       TYR  11  -4.346  -8.941  -8.941
   55   2HB   TYR  11          3HB       TYR  11  -4.085 -10.352 -10.352
   56    HD1  TYR  11           HD2      TYR  11  -2.197  -9.319  -9.319
   57    HD2  TYR  11           HD1      TYR  11  -2.127  -9.829  -9.829
   58    HE1  TYR  11           HE2      TYR  11   0.301  -8.844  -8.844
   59    HE2  TYR  11           HE1      TYR  11   0.370  -9.354  -9.354
   60    HH   TYR  11           HH       TYR  11   1.950  -8.007  -8.007
   61    H    SER  12           HN       SER  12  -6.062 -11.186 -11.186
   62    HA   SER  12           HA       SER  12  -4.991  -9.540  -9.540
   63   1HB   SER  12          2HB       SER  12  -6.436 -11.191 -11.191
   64   2HB   SER  12          3HB       SER  12  -7.622 -10.937 -10.937
   65    HG   SER  12           HG       SER  12  -8.656  -9.844  -9.844
   66    H    SER  13           HN       SER  13  -6.765  -7.800  -7.800
   67    HA   SER  13           HA       SER  13  -6.541  -5.581  -5.581
   68   1HB   SER  13          2HB       SER  13  -8.503  -4.719  -4.719
   69   2HB   SER  13          3HB       SER  13  -7.018  -5.217  -5.217
   70    HG   SER  13           HG       SER  13  -8.532  -6.298  -6.298
   71    H    SER  14           HN       SER  14  -8.695  -8.260  -8.260
   72    HA   SER  14           HA       SER  14 -10.738  -6.746  -6.746
   73   1HB   SER  14          2HB       SER  14 -11.253  -8.828  -8.828
   74   2HB   SER  14          3HB       SER  14 -10.247  -9.753  -9.753
   75    HG   SER  14           HG       SER  14 -11.742  -8.838  -8.838
   76    H    ASP  15           HN       ASP  15  -7.774  -8.498  -8.498
   77    HA   ASP  15           HA       ASP  15  -8.446  -8.648  -8.648
   78   1HB   ASP  15          2HB       ASP  15  -6.129  -9.380  -9.380
   79   2HB   ASP  15          3HB       ASP  15  -5.737  -9.050  -9.050
   80    H    VAL  16           HN       VAL  16  -6.341  -6.694  -6.694
   81    HA   VAL  16           HA       VAL  16  -4.957  -5.222  -5.222
   82    HB   VAL  16           HB       VAL  16  -6.025  -4.472  -4.472
   83   1HG1  VAL  16          3HG1      VAL  16  -4.598  -2.873  -2.873
   84   2HG1  VAL  16          1HG1      VAL  16  -3.691  -3.016  -3.016
   85   3HG1  VAL  16          2HG1      VAL  16  -5.355  -2.383  -2.383
   86   1HG2  VAL  16          1HG2      VAL  16  -3.391  -5.640  -5.640
   87   2HG2  VAL  16          2HG2      VAL  16  -4.585  -6.381  -6.381
   88   3HG2  VAL  16          3HG2      VAL  16  -3.648  -4.966  -4.966
   89    H    SER  17           HN       SER  17  -8.186  -4.512  -4.512
   90    HA   SER  17           HA       SER  17  -8.777  -2.158  -2.158
   91   1HB   SER  17          2HB       SER  17 -10.325  -3.761  -3.761
   92   2HB   SER  17          3HB       SER  17 -10.654  -4.538  -4.538
   93    HG   SER  17           HG       SER  17 -11.418  -2.425  -2.425
   94    H    THR  18           HN       THR  18  -9.157  -5.204  -5.204
   95    HA   THR  18           HA       THR  18 -10.003  -4.076  -4.076
   96    HB   THR  18           HB       THR  18  -8.472  -6.542  -6.542
   97    HG1  THR  18           HG1      THR  18 -10.805  -6.030  -6.030
   98   1HG2  THR  18          1HG2      THR  18  -8.655  -5.423  -5.423
   99   2HG2  THR  18          2HG2      THR  18  -8.986  -7.157  -7.157
  100   3HG2  THR  18          3HG2      THR  18  -7.412  -6.481  -6.481
  101    H    ALA  19           HN       ALA  19  -6.584  -4.571  -4.571
  102    HA   ALA  19           HA       ALA  19  -5.461  -3.466  -3.466
  103   1HB   ALA  19          3HB       ALA  19  -4.248  -4.896  -4.896
  104   2HB   ALA  19          1HB       ALA  19  -4.397  -3.639  -3.639
  105   3HB   ALA  19          2HB       ALA  19  -3.420  -3.333  -3.333
  106    H    GLN  20           HN       GLN  20  -6.533  -2.052  -2.052
  107    HA   GLN  20           HA       GLN  20  -5.467   0.457   0.457
  108   1HB   GLN  20          2HB       GLN  20  -8.065  -0.094  -0.094
  109   2HB   GLN  20          3HB       GLN  20  -6.906   1.181   1.181
  110   1HG   GLN  20          2HG       GLN  20  -5.283  -0.343  -0.343
  111   2HG   GLN  20          3HG       GLN  20  -6.078  -1.737  -1.737
  112   1HE2  GLN  20          2HE2      GLN  20  -8.029   0.144   0.144
  113   2HE2  GLN  20          1HE2      GLN  20  -7.290   1.043   1.043
  114    H    ALA  21           HN       ALA  21  -8.843  -0.758  -0.758
  115    HA   ALA  21           HA       ALA  21 -10.064   1.401   1.401
  116   1HB   ALA  21          1HB       ALA  21 -10.398  -1.380  -1.380
  117   2HB   ALA  21          2HB       ALA  21 -10.458  -0.832  -0.832
  118   3HB   ALA  21          3HB       ALA  21 -11.575  -0.140  -0.140
  119    H    ALA  22           HN       ALA  22  -7.414  -0.391  -0.391
  120    HA   ALA  22           HA       ALA  22  -7.684   0.966   0.966
  121   1HB   ALA  22          3HB       ALA  22  -6.616  -1.306  -1.306
  122   2HB   ALA  22          1HB       ALA  22  -5.229  -0.427  -0.427
  123   3HB   ALA  22          2HB       ALA  22  -5.672  -0.198  -0.198
  124    H    GLY  23           HN       GLY  23  -5.329   1.216   1.216
  125   1HA   GLY  23          1HA       GLY  23  -3.895   3.394   3.394
  126   2HA   GLY  23          2HA       GLY  23  -4.099   2.947   2.947
  127    H    TYR  24           HN       TYR  24  -6.946   3.257   3.257
  128    HA   TYR  24           HA       TYR  24  -7.067   6.038   6.038
  129   1HB   TYR  24          2HB       TYR  24  -8.278   3.812   3.812
  130   2HB   TYR  24          3HB       TYR  24  -9.454   4.152   4.152
  131    HD1  TYR  24           HD1      TYR  24 -10.902   6.130   6.130
  132    HD2  TYR  24           HD2      TYR  24  -8.051   5.274   5.274
  133    HE1  TYR  24           HE1      TYR  24 -12.060   7.784   7.784
  134    HE2  TYR  24           HE2      TYR  24  -9.219   6.932   6.932
  135    HH   TYR  24           HH       TYR  24 -11.983   8.828   8.828
  136    H    LYS  25           HN       LYS  25  -9.063   3.924   3.924
  137    HA   LYS  25           HA       LYS  25 -10.495   5.778   5.778
  138   1HB   LYS  25          2HB       LYS  25 -10.651   3.373   3.373
  139   2HB   LYS  25          3HB       LYS  25  -9.110   3.385   3.385
  140   1HG   LYS  25          2HG       LYS  25 -10.802   3.472   3.472
  141   2HG   LYS  25          3HG       LYS  25 -10.097   5.074   5.074
  142   1HD   LYS  25          2HD       LYS  25 -11.974   5.930   5.930
  143   2HD   LYS  25          3HD       LYS  25 -12.621   4.319   4.319
  144   1HE   LYS  25          2HE       LYS  25 -13.908   5.405   5.405
  145   2HE   LYS  25          3HE       LYS  25 -12.965   4.118   4.118
  146   1HZ   LYS  25          2HZ       LYS  25 -11.779   6.761   6.761
  147   2HZ   LYS  25          3HZ       LYS  25 -12.957   6.502   6.502
  148   3HZ   LYS  25          1HZ       LYS  25 -11.599   5.595   5.595
  149    H    LEU  26           HN       LEU  26  -7.195   4.741   4.741
  150    HA   LEU  26           HA       LEU  26  -6.991   6.748   6.748
  151   1HB   LEU  26          2HB       LEU  26  -5.642   4.779   4.779
  152   2HB   LEU  26          3HB       LEU  26  -4.928   5.119   5.119
  153    HG   LEU  26           HG       LEU  26  -4.251   7.379   7.379
  154   1HD1  LEU  26          1HD1      LEU  26  -5.179   6.446   6.446
  155   2HD1  LEU  26          2HD1      LEU  26  -4.058   5.070   5.070
  156   3HD1  LEU  26          3HD1      LEU  26  -3.422   6.717   6.717
  157   1HD2  LEU  26          1HD2      LEU  26  -2.941   4.968   4.968
  158   2HD2  LEU  26          2HD2      LEU  26  -2.406   6.665   6.665
  159   3HD2  LEU  26          3HD2      LEU  26  -2.104   5.673   5.673
  160    H    HIS  27           HN       HIS  27  -6.397   6.706   6.706
  161    HA   HIS  27           HA       HIS  27  -4.914   9.095   9.095
  162   1HB   HIS  27          2HB       HIS  27  -4.715   7.599   7.599
  163   2HB   HIS  27          3HB       HIS  27  -6.449   7.524   7.524
  164    HD1  HIS  27           HD1      HIS  27  -3.861  10.374  10.374
  165    HD2  HIS  27           HD2      HIS  27  -7.144   8.981   8.981
  166    HE1  HIS  27           HE1      HIS  27  -4.150  11.994  11.994
  167    HE2  HIS  27           HE2      HIS  27  -6.148  11.055  11.055
  168    H    GLU  28           HN       GLU  28  -8.407   8.342   8.342
  169    HA   GLU  28           HA       GLU  28  -9.169  10.914  10.914
  170   1HB   GLU  28          2HB       GLU  28 -11.306   9.612   9.612
  171   2HB   GLU  28          3HB       GLU  28 -11.121   9.833   9.833
  172   1HG   GLU  28          2HG       GLU  28  -9.802   7.765   7.765
  173   2HG   GLU  28          3HG       GLU  28  -9.777   7.578   7.578
  174    H    ASP  29           HN       ASP  29  -8.345   9.369   9.369
  175    HA   ASP  29           HA       ASP  29  -9.629  11.426  11.426
  176   1HB   ASP  29          2HB       ASP  29  -8.010   8.944   8.944
  177   2HB   ASP  29          3HB       ASP  29  -8.180  10.156  10.156
  178    H    GLY  30           HN       GLY  30  -6.617  10.809  10.809
  179   1HA   GLY  30          1HA       GLY  30  -4.802  12.145  12.145
  180   2HA   GLY  30          2HA       GLY  30  -5.482  13.281  13.281
  181    H    GLU  31           HN       GLU  31  -5.305   9.888   9.888
  182    HA   GLU  31           HA       GLU  31  -3.264  10.654  10.654
  183   1HB   GLU  31          2HB       GLU  31  -5.313   8.414   8.414
  184   2HB   GLU  31          3HB       GLU  31  -3.976   8.371   8.371
  185   1HG   GLU  31          2HG       GLU  31  -5.873  10.750  10.750
  186   2HG   GLU  31          3HG       GLU  31  -6.148   9.420   9.420
  187    H    THR  32           HN       THR  32  -1.845   8.532   8.532
  188    HA   THR  32           HA       THR  32  -0.975   7.254   7.254
  189    HB   THR  32           HB       THR  32   1.396   7.634   7.634
  190    HG1  THR  32           HG1      THR  32   1.263   9.526   9.526
  191   1HG2  THR  32          1HG2      THR  32  -0.456   9.906   9.906
  192   2HG2  THR  32          2HG2      THR  32   1.194  10.291  10.291
  193   3HG2  THR  32          3HG2      THR  32   0.949   9.261   9.261
  194    H    VAL  33           HN       VAL  33   0.640   5.391   5.391
  195    HA   VAL  33           HA       VAL  33  -0.392   4.038   4.038
  196    HB   VAL  33           HB       VAL  33  -0.682   2.045   2.045
  197   1HG1  VAL  33          3HG1      VAL  33  -2.274   4.042   4.042
  198   2HG1  VAL  33          1HG1      VAL  33  -1.538   3.926   3.926
  199   3HG1  VAL  33          2HG1      VAL  33  -2.392   2.525   2.525
  200   1HG2  VAL  33          2HG2      VAL  33   1.502   2.227   2.227
  201   2HG2  VAL  33          3HG2      VAL  33   0.156   1.509   1.509
  202   3HG2  VAL  33          1HG2      VAL  33   0.638   3.195   3.195
  203    H    GLY  34           HN       GLY  34   1.144   3.091   3.091
  204   1HA   GLY  34          1HA       GLY  34   3.167   2.323   2.323
  205   2HA   GLY  34          2HA       GLY  34   3.740   2.389   2.389
  206    H    SER  35           HN       SER  35   5.781   3.293   3.293
  207    HA   SER  35           HA       SER  35   5.597   5.900   5.900
  208   1HB   SER  35          2HB       SER  35   7.320   3.861   3.861
  209   2HB   SER  35          3HB       SER  35   8.234   4.697   4.697
  210    HG   SER  35           HG       SER  35   8.891   5.627   5.627
  211    H    ASN  36           HN       ASN  36   5.779   4.449   4.449
  212    HA   ASN  36           HA       ASN  36   7.359   6.461   6.461
  213   1HB   ASN  36          2HB       ASN  36   5.995   3.973   3.973
  214   2HB   ASN  36          3HB       ASN  36   5.758   5.219   5.219
  215   1HD2  ASN  36          2HD2      ASN  36   8.794   3.513   3.513
  216   2HD2  ASN  36          1HD2      ASN  36   7.083   3.261   3.261
  217    H    SER  37           HN       SER  37   5.632   6.821   6.821
  218    HA   SER  37           HA       SER  37   3.439   8.333   8.333
  219   1HB   SER  37          2HB       SER  37   3.878  10.222  10.222
  220   2HB   SER  37          3HB       SER  37   5.426   9.779   9.779
  221    HG   SER  37           HG       SER  37   5.279  10.212  10.212
  222    H    TYR  38           HN       TYR  38   2.857   5.834   5.834
  223    HA   TYR  38           HA       TYR  38   2.005   6.012   6.012
  224   1HB   TYR  38          2HB       TYR  38   2.330   3.772   3.772
  225   2HB   TYR  38          3HB       TYR  38   1.661   3.475   3.475
  226    HD1  TYR  38           HD2      TYR  38   4.606   5.533   5.533
  227    HD2  TYR  38           HD1      TYR  38   3.198   2.194   2.194
  228    HE1  TYR  38           HE2      TYR  38   6.948   5.162   5.162
  229    HE2  TYR  38           HE1      TYR  38   5.544   1.835   1.835
  230    HH   TYR  38           HH       TYR  38   7.947   2.419   2.419
  231    HA   PRO  39           HA       PRO  39   0.747   5.080   5.080
  232   1HB   PRO  39          2HB       PRO  39  -1.248   6.024   6.024
  233   2HB   PRO  39          3HB       PRO  39  -1.172   4.365   4.365
  234   1HG   PRO  39          2HG       PRO  39  -2.941   6.547   6.547
  235   2HG   PRO  39          3HG       PRO  39  -3.123   4.819   4.819
  236   1HD   PRO  39          2HD       PRO  39  -2.241   6.719   6.719
  237   2HD   PRO  39          3HD       PRO  39  -2.312   4.978   4.978
  238    H    HIS  40           HN       HIS  40   0.610   6.662   6.662
  239    HA   HIS  40           HA       HIS  40   0.685   9.363   9.363
  240   1HB   HIS  40          2HB       HIS  40   3.027   9.883   9.883
  241   2HB   HIS  40          3HB       HIS  40   2.576   8.813   8.813
  242    HD1  HIS  40           HD1      HIS  40   4.353   8.704   8.704
  243    HD2  HIS  40           HD2      HIS  40   4.053   6.486   6.486
  244    HE1  HIS  40           HE1      HIS  40   6.113   6.863   6.863
  245    HE2  HIS  40           HE2      HIS  40   5.918   5.567   5.567
  246    H    LYS  41           HN       LYS  41   1.742  10.598  10.598
  247    HA   LYS  41           HA       LYS  41   0.838   9.619   9.619
  248   1HB   LYS  41          2HB       LYS  41   1.373  11.979  11.979
  249   2HB   LYS  41          3HB       LYS  41   3.084  11.604  11.604
  250   1HG   LYS  41          2HG       LYS  41   1.456  10.775  10.775
  251   2HG   LYS  41          3HG       LYS  41   1.796  12.483  12.483
  252   1HD   LYS  41          2HD       LYS  41   4.018  10.417  10.417
  253   2HD   LYS  41          3HD       LYS  41   3.499  11.026  11.026
  254   1HE   LYS  41          2HE       LYS  41   4.449  12.779  12.779
  255   2HE   LYS  41          3HE       LYS  41   5.444  12.308  12.308
  256   1HZ   LYS  41          1HZ       LYS  41   3.669  13.343  13.343
  257   2HZ   LYS  41          2HZ       LYS  41   3.048  13.991  13.991
  258   3HZ   LYS  41          3HZ       LYS  41   4.561  14.382  14.382
  259    H    TYR  42           HN       TYR  42   1.975   8.848   8.848
  260    HA   TYR  42           HA       TYR  42   4.571   7.640   7.640
  261   1HB   TYR  42          2HB       TYR  42   3.033   5.869   5.869
  262   2HB   TYR  42          3HB       TYR  42   1.888   6.259   6.259
  263    HD1  TYR  42           HD1      TYR  42   2.787   5.925   5.925
  264    HD2  TYR  42           HD2      TYR  42   4.451   4.041   4.041
  265    HE1  TYR  42           HE1      TYR  42   3.804   4.114   4.114
  266    HE2  TYR  42           HE2      TYR  42   5.461   2.236   2.236
  267    HH   TYR  42           HH       TYR  42   4.504   1.735   1.735
  268    H    ASN  43           HN       ASN  43   1.822   8.480   8.480
  269    HA   ASN  43           HA       ASN  43   1.686   8.919   8.919
  270   1HB   ASN  43          2HB       ASN  43   4.454   9.824   9.824
  271   2HB   ASN  43          3HB       ASN  43   4.157   9.641   9.641
  272   1HD2  ASN  43          2HD2      ASN  43   1.402  12.055  12.055
  273   2HD2  ASN  43          1HD2      ASN  43   1.758  10.448  10.448
  274    H    ASN  44           HN       ASN  44   5.116   8.152   8.152
  275    HA   ASN  44           HA       ASN  44   5.329   5.576   5.576
  276   1HB   ASN  44          2HB       ASN  44   4.398   4.761   4.761
  277   2HB   ASN  44          3HB       ASN  44   3.102   5.678   5.678
  278   1HD2  ASN  44          2HD2      ASN  44   4.859   6.818   6.818
  279   2HD2  ASN  44          1HD2      ASN  44   5.427   5.497   5.497
  280    H    TYR  45           HN       TYR  45   6.842   4.924   4.924
  281    HA   TYR  45           HA       TYR  45   7.941   6.845   6.845
  282   1HB   TYR  45          2HB       TYR  45   8.900   6.680   6.680
  283   2HB   TYR  45          3HB       TYR  45  10.187   6.660   6.660
  284    HD1  TYR  45           HD1      TYR  45   7.563   8.473   8.473
  285    HD2  TYR  45           HD2      TYR  45  10.597   8.820   8.820
  286    HE1  TYR  45           HE1      TYR  45   7.450  11.007  11.007
  287    HE2  TYR  45           HE2      TYR  45  10.472  11.354  11.354
  288    HH   TYR  45           HH       TYR  45   8.055  12.898  12.898
  289    H    GLU  46           HN       GLU  46   8.812   4.112   4.112
  290    HA   GLU  46           HA       GLU  46  10.834   3.035   3.035
  291   1HB   GLU  46          2HB       GLU  46   8.567   1.549   1.549
  292   2HB   GLU  46          3HB       GLU  46  10.100   0.827   0.827
  293   1HG   GLU  46          2HG       GLU  46  10.838   3.173   3.173
  294   2HG   GLU  46          3HG       GLU  46   9.455   2.582   2.582
  295    H    GLY  47           HN       GLY  47   7.560   3.422   3.422
  296   1HA   GLY  47          1HA       GLY  47   7.208   3.167   3.167
  297   2HA   GLY  47          2HA       GLY  47   8.111   1.666   1.666
  298    H    PHE  48           HN       PHE  48   5.403   3.105   3.105
  299    HA   PHE  48           HA       PHE  48   4.081   0.505   0.505
  300   1HB   PHE  48          2HB       PHE  48   3.774   3.026   3.026
  301   2HB   PHE  48          3HB       PHE  48   2.690   1.656   1.656
  302    HD1  PHE  48           HD2      PHE  48   3.661  -0.584  -0.584
  303    HD2  PHE  48           HD1      PHE  48   5.845   3.042   3.042
  304    HE1  PHE  48           HE2      PHE  48   5.232  -1.662  -1.662
  305    HE2  PHE  48           HE1      PHE  48   7.416   1.964   1.964
  306    HZ   PHE  48           HZ       PHE  48   7.091  -0.375  -0.375
  307    H    ASP  49           HN       ASP  49   2.109   0.230   0.230
  308    HA   ASP  49           HA       ASP  49   1.198   2.526   2.526
  309   1HB   ASP  49          2HB       ASP  49  -0.112  -0.179  -0.179
  310   2HB   ASP  49          3HB       ASP  49   0.188   0.999   0.999
  311    H    PHE  50           HN       PHE  50   0.445   3.356   3.356
  312    HA   PHE  50           HA       PHE  50  -1.715   2.034   2.034
  313   1HB   PHE  50          2HB       PHE  50  -0.569   4.885   4.885
  314   2HB   PHE  50          3HB       PHE  50  -1.871   4.420   4.420
  315    HD1  PHE  50           HD1      PHE  50  -0.019   1.546   1.546
  316    HD2  PHE  50           HD2      PHE  50   0.250   5.442   5.442
  317    HE1  PHE  50           HE1      PHE  50   1.661   0.718   0.718
  318    HE2  PHE  50           HE2      PHE  50   1.929   4.615   4.615
  319    HZ   PHE  50           HZ       PHE  50   2.615   2.262   2.262
  320    H    SER  51           HN       SER  51  -3.444   1.624   1.624
  321    HA   SER  51           HA       SER  51  -4.376   3.618   3.618
  322   1HB   SER  51          2HB       SER  51  -6.222   2.039   2.039
  323   2HB   SER  51          3HB       SER  51  -4.678   1.211   1.211
  324    HG   SER  51           HG       SER  51  -5.968  -0.089  -0.089
  325    H    VAL  52           HN       VAL  52  -4.165   4.450   4.450
  326    HA   VAL  52           HA       VAL  52  -7.003   5.059   5.059
  327    HB   VAL  52           HB       VAL  52  -6.539   5.065   5.065
  328   1HG1  VAL  52          1HG1      VAL  52  -5.866   2.590   2.590
  329   2HG1  VAL  52          2HG1      VAL  52  -5.810   2.563   2.563
  330   3HG1  VAL  52          3HG1      VAL  52  -7.327   2.974   2.974
  331   1HG2  VAL  52          3HG2      VAL  52  -3.741   4.921   4.921
  332   2HG2  VAL  52          1HG2      VAL  52  -4.427   5.565   5.565
  333   3HG2  VAL  52          2HG2      VAL  52  -4.129   3.819   3.819
  334    H    SER  53           HN       SER  53  -7.346   7.187   7.187
  335    HA   SER  53           HA       SER  53  -5.550   9.086   9.086
  336   1HB   SER  53          2HB       SER  53  -8.144   9.178   9.178
  337   2HB   SER  53          3HB       SER  53  -8.053   9.706   9.706
  338    HG   SER  53           HG       SER  53  -7.925  11.643  11.643
  339    H    SER  54           HN       SER  54  -4.234  10.545  10.545
  340    HA   SER  54           HA       SER  54  -3.442   9.719   9.719
  341   1HB   SER  54          2HB       SER  54  -1.768  11.304  11.304
  342   2HB   SER  54          3HB       SER  54  -2.249  11.162  11.162
  343    HG   SER  54           HG       SER  54  -2.672  13.251  13.251
  344    HA   PRO  55           HA       PRO  55  -2.221  11.439  11.439
  345   1HB   PRO  55          2HB       PRO  55  -1.931  11.598  11.598
  346   2HB   PRO  55          3HB       PRO  55  -1.800  12.987  12.987
  347   1HG   PRO  55          2HG       PRO  55  -4.020  12.230  12.230
  348   2HG   PRO  55          3HG       PRO  55  -3.679  13.787  13.787
  349   1HD   PRO  55          2HD       PRO  55  -5.683  11.908  11.908
  350   2HD   PRO  55          3HD       PRO  55  -5.265  13.412  13.412
  351    H    TYR  56           HN       TYR  56  -0.773   9.747   9.747
  352    HA   TYR  56           HA       TYR  56  -2.384   7.346   7.346
  353   1HB   TYR  56          2HB       TYR  56   0.512   7.960   7.960
  354   2HB   TYR  56          3HB       TYR  56  -0.095   6.325   6.325
  355    HD1  TYR  56           HD1      TYR  56  -2.895   6.864   6.864
  356    HD2  TYR  56           HD2      TYR  56   1.043   7.879   7.879
  357    HE1  TYR  56           HE1      TYR  56  -3.709   6.907   6.907
  358    HE2  TYR  56           HE2      TYR  56   0.216   7.918   7.918
  359    HH   TYR  56           HH       TYR  56  -2.558   8.348   8.348
  360    H    TYR  57           HN       TYR  57  -2.557   6.586   6.586
  361    HA   TYR  57           HA       TYR  57  -0.494   7.378   7.378
  362   1HB   TYR  57          2HB       TYR  57  -3.221   5.966   5.966
  363   2HB   TYR  57          3HB       TYR  57  -2.291   6.617   6.617
  364    HD1  TYR  57           HD2      TYR  57  -1.508   9.166   9.166
  365    HD2  TYR  57           HD1      TYR  57  -5.170   7.303   7.303
  366    HE1  TYR  57           HE2      TYR  57  -2.723  11.386  11.386
  367    HE2  TYR  57           HE1      TYR  57  -6.373   9.529   9.529
  368    HH   TYR  57           HH       TYR  57  -4.963  12.348  12.348
  369    H    GLU  58           HN       GLU  58   0.933   5.941   5.941
  370    HA   GLU  58           HA       GLU  58   0.631   3.197   3.197
  371   1HB   GLU  58          2HB       GLU  58   3.064   2.995   2.995
  372   2HB   GLU  58          3HB       GLU  58   2.745   4.212   4.212
  373   1HG   GLU  58          2HG       GLU  58   2.818   5.996   5.996
  374   2HG   GLU  58          3HG       GLU  58   3.097   4.788   4.788
  375    H    TRP  59           HN       TRP  59   0.258   1.530   1.530
  376    HA   TRP  59           HA       TRP  59   0.710   2.063   2.063
  377   1HB   TRP  59          2HB       TRP  59  -1.539   2.673   2.673
  378   2HB   TRP  59          3HB       TRP  59  -1.933   1.417   1.417
  379    HD1  TRP  59           HD1      TRP  59  -2.570  -0.993  -0.993
  380    HE1  TRP  59           HE1      TRP  59  -3.055  -1.981  -1.981
  381    HE3  TRP  59           HE3      TRP  59  -0.725   2.978   2.978
  382    HZ2  TRP  59           HZ2      TRP  59  -2.623  -1.012  -1.012
  383    HZ3  TRP  59           HZ3      TRP  59  -0.793   2.877   2.877
  384    HH2  TRP  59           HH2      TRP  59  -1.700   0.970   0.970
  385    HA   PRO  60           HA       PRO  60   2.156  -2.021  -2.021
  386   1HB   PRO  60          2HB       PRO  60   2.311  -2.728  -2.728
  387   2HB   PRO  60          3HB       PRO  60   3.532  -1.766  -1.766
  388   1HG   PRO  60          2HG       PRO  60   1.458  -0.895  -0.895
  389   2HG   PRO  60          3HG       PRO  60   2.924  -0.065  -0.065
  390   1HD   PRO  60          2HD       PRO  60   0.255   0.523   0.523
  391   2HD   PRO  60          3HD       PRO  60   1.732   1.275   1.275
  392    H    ILE  61           HN       ILE  61   1.471  -4.074  -4.074
  393    HA   ILE  61           HA       ILE  61  -1.238  -4.557  -4.557
  394    HB   ILE  61           HB       ILE  61  -1.112  -4.211  -4.211
  395   1HG1  ILE  61          2HG1      ILE  61  -1.836  -6.989  -6.989
  396   2HG1  ILE  61          3HG1      ILE  61  -2.887  -5.592  -5.592
  397   1HG2  ILE  61          2HG2      ILE  61   1.277  -5.237  -5.237
  398   2HG2  ILE  61          3HG2      ILE  61   0.416  -6.781  -6.781
  399   3HG2  ILE  61          1HG2      ILE  61   0.168  -5.463  -5.463
  400   1HD1  ILE  61          2HD1      ILE  61  -1.451  -6.578  -6.578
  401   2HD1  ILE  61          3HD1      ILE  61  -2.920  -7.411  -7.411
  402   3HD1  ILE  61          1HD1      ILE  61  -2.987  -5.687  -5.687
  403    H    LEU  62           HN       LEU  62  -1.253  -5.981  -5.981
  404    HA   LEU  62           HA       LEU  62   0.984  -7.770  -7.770
  405   1HB   LEU  62          2HB       LEU  62  -1.509  -7.400  -7.400
  406   2HB   LEU  62          3HB       LEU  62  -0.104  -8.350  -8.350
  407    HG   LEU  62           HG       LEU  62  -0.053  -5.360  -5.360
  408   1HD1  LEU  62          3HD1      LEU  62  -0.763  -6.951  -6.951
  409   2HD1  LEU  62          1HD1      LEU  62   0.396  -5.627  -5.627
  410   3HD1  LEU  62          2HD1      LEU  62  -1.197  -5.285  -5.285
  411   1HD2  LEU  62          3HD2      LEU  62   2.029  -7.300  -7.300
  412   2HD2  LEU  62          1HD2      LEU  62   2.156  -5.532  -5.532
  413   3HD2  LEU  62          2HD2      LEU  62   2.078  -6.269  -6.269
  414    H    SER  63           HN       SER  63   1.085  -9.834  -9.834
  415    HA   SER  63           HA       SER  63  -0.789 -10.851 -10.851
  416   1HB   SER  63          2HB       SER  63   0.425 -12.954 -12.954
  417   2HB   SER  63          3HB       SER  63   1.577 -11.637 -11.637
  418    HG   SER  63           HG       SER  63   0.697 -13.382 -13.382
  419    H    SER  64           HN       SER  64  -0.805 -10.675 -10.675
  420    HA   SER  64           HA       SER  64  -2.513 -12.900 -12.900
  421   1HB   SER  64          2HB       SER  64  -2.356 -10.663 -10.663
  422   2HB   SER  64          3HB       SER  64  -2.370 -12.394 -12.394
  423    HG   SER  64           HG       SER  64  -0.246 -10.892 -10.892
  424    H    GLY  65           HN       GLY  65  -2.901  -9.675  -9.675
  425   1HA   GLY  65          1HA       GLY  65  -4.790  -8.688  -8.688
  426   2HA   GLY  65          2HA       GLY  65  -5.763  -9.980  -9.980
  427    H    ASP  66           HN       ASP  66  -3.352  -8.065  -8.065
  428    HA   ASP  66           HA       ASP  66  -5.592  -7.095  -7.095
  429   1HB   ASP  66          2HB       ASP  66  -2.684  -7.698  -7.698
  430   2HB   ASP  66          3HB       ASP  66  -3.594  -6.616  -6.616
  431    H    VAL  67           HN       VAL  67  -4.562  -4.921  -4.921
  432    HA   VAL  67           HA       VAL  67  -3.801  -3.144  -3.144
  433    HB   VAL  67           HB       VAL  67  -5.250  -2.766  -2.766
  434   1HG1  VAL  67          3HG1      VAL  67  -4.141  -0.584  -0.584
  435   2HG1  VAL  67          1HG1      VAL  67  -5.275  -0.335  -0.335
  436   3HG1  VAL  67          2HG1      VAL  67  -3.634  -0.944  -0.944
  437   1HG2  VAL  67          2HG2      VAL  67  -5.930  -2.719  -2.719
  438   2HG2  VAL  67          3HG2      VAL  67  -6.912  -3.194  -3.194
  439   3HG2  VAL  67          1HG2      VAL  67  -6.700  -1.471  -1.471
  440    H    TYR  68           HN       TYR  68  -1.596  -3.067  -3.067
  441    HA   TYR  68           HA       TYR  68   0.251  -3.638  -3.638
  442   1HB   TYR  68          2HB       TYR  68   0.405  -2.850  -2.850
  443   2HB   TYR  68          3HB       TYR  68   0.273  -1.207  -1.207
  444    HD1  TYR  68           HD2      TYR  68   2.337  -4.282  -4.282
  445    HD2  TYR  68           HD1      TYR  68   2.241  -0.018  -0.018
  446    HE1  TYR  68           HE2      TYR  68   4.857  -4.191  -4.191
  447    HE2  TYR  68           HE1      TYR  68   4.760   0.058   0.058
  448    HH   TYR  68           HH       TYR  68   6.466  -1.536  -1.536
  449    H    SER  69           HN       SER  69   1.424  -2.575  -2.575
  450    HA   SER  69           HA       SER  69  -0.032  -0.329  -0.329
  451   1HB   SER  69          2HB       SER  69   1.032  -0.875  -0.875
  452   2HB   SER  69          3HB       SER  69   0.420  -2.362  -2.362
  453    HG   SER  69           HG       SER  69   2.674  -2.635  -2.635
  454    H    GLY  70           HN       GLY  70   1.808  -0.117  -0.117
  455   1HA   GLY  70          1HA       GLY  70   3.311   1.379   1.379
  456   2HA   GLY  70          2HA       GLY  70   3.229   2.200   2.200
  457    H    GLY  71           HN       GLY  71   5.651   1.839   1.839
  458   1HA   GLY  71          1HA       GLY  71   7.657   1.486   1.486
  459   2HA   GLY  71          2HA       GLY  71   7.113  -0.179  -0.179
  460    H    SER  72           HN       SER  72   8.404  -1.432  -1.432
  461    HA   SER  72           HA       SER  72   9.094  -0.306  -0.306
  462   1HB   SER  72          2HB       SER  72  10.866  -1.036  -1.036
  463   2HB   SER  72          3HB       SER  72  10.755  -2.538  -2.538
  464    HG   SER  72           HG       SER  72  12.275  -0.488  -0.488
  465    HA   PRO  73           HA       PRO  73   6.559  -4.022  -4.022
  466   1HB   PRO  73          2HB       PRO  73   4.757  -2.933  -2.933
  467   2HB   PRO  73          3HB       PRO  73   4.477  -3.038  -3.038
  468   1HG   PRO  73          2HG       PRO  73   5.191  -0.672  -0.672
  469   2HG   PRO  73          3HG       PRO  73   4.502  -0.732  -0.732
  470   1HD   PRO  73          2HD       PRO  73   7.230  -0.167  -0.167
  471   2HD   PRO  73          3HD       PRO  73   6.566  -0.341  -0.341
  472    H    GLY  74           HN       GLY  74   8.810  -2.356  -2.356
  473   1HA   GLY  74          1HA       GLY  74   8.803  -2.666  -2.666
  474   2HA   GLY  74          2HA       GLY  74  10.185  -3.145  -3.145
  475    H    ALA  75           HN       ALA  75   7.878  -4.196  -4.196
  476    HA   ALA  75           HA       ALA  75   8.736  -6.511  -6.511
  477   1HB   ALA  75          1HB       ALA  75   7.599  -6.869  -6.869
  478   2HB   ALA  75          2HB       ALA  75   7.480  -8.194  -8.194
  479   3HB   ALA  75          3HB       ALA  75   9.076  -7.561  -7.561
  480    H    ASP  76           HN       ASP  76   5.674  -5.607  -5.607
  481    HA   ASP  76           HA       ASP  76   4.341  -5.991  -5.991
  482   1HB   ASP  76          2HB       ASP  76   3.281  -6.737  -6.737
  483   2HB   ASP  76          3HB       ASP  76   2.349  -6.834  -6.834
  484    H    ARG  77           HN       ARG  77   3.290  -4.083  -4.083
  485    HA   ARG  77           HA       ARG  77   2.123  -2.501  -2.501
  486   1HB   ARG  77          2HB       ARG  77   4.062  -1.278  -1.278
  487   2HB   ARG  77          3HB       ARG  77   3.183  -0.398  -0.398
  488   1HG   ARG  77          2HG       ARG  77   4.886  -2.708  -2.708
  489   2HG   ARG  77          3HG       ARG  77   5.721  -1.266  -1.266
  490   1HD   ARG  77          2HD       ARG  77   3.461  -0.616  -0.616
  491   2HD   ARG  77          3HD       ARG  77   4.615  -1.683  -1.683
  492    HE   ARG  77           HE       ARG  77   5.066   1.100   1.100
  493   1HH1  ARG  77           HH2      ARG  77   6.629  -1.973  -1.973
  494   2HH1  ARG  77           HH2      ARG  77   8.147  -1.249  -1.249
  495   1HH2  ARG  77           HH1      ARG  77   7.069   2.054   2.054
  496   2HH2  ARG  77           HH1      ARG  77   8.399   1.056   1.056
  497    H    VAL  78           HN       VAL  78   0.268  -1.352  -1.352
  498    HA   VAL  78           HA       VAL  78  -0.366  -1.797  -1.797
  499    HB   VAL  78           HB       VAL  78  -2.753  -1.453  -1.453
  500   1HG1  VAL  78          3HG1      VAL  78  -1.916  -3.576  -3.576
  501   2HG1  VAL  78          1HG1      VAL  78  -1.174  -3.955  -3.955
  502   3HG1  VAL  78          2HG1      VAL  78  -2.946  -3.849  -3.849
  503   1HG2  VAL  78          3HG2      VAL  78  -2.056  -0.640  -0.640
  504   2HG2  VAL  78          1HG2      VAL  78  -3.104  -2.075  -2.075
  505   3HG2  VAL  78          2HG2      VAL  78  -1.349  -2.238  -2.238
  506    H    VAL  79           HN       VAL  79  -0.745  -0.047  -0.047
  507    HA   VAL  79           HA       VAL  79  -0.637   2.558   2.558
  508    HB   VAL  79           HB       VAL  79   0.089   1.664   1.664
  509   1HG1  VAL  79          2HG1      VAL  79  -0.969   4.119   4.119
  510   2HG1  VAL  79          3HG1      VAL  79   0.771   4.419   4.419
  511   3HG1  VAL  79          1HG1      VAL  79   0.167   3.792   3.792
  512   1HG2  VAL  79          1HG2      VAL  79   1.559   1.616   1.616
  513   2HG2  VAL  79          2HG2      VAL  79   2.206   1.527   1.527
  514   3HG2  VAL  79          3HG2      VAL  79   2.106   3.097   3.097
  515    H    PHE  80           HN       PHE  80  -2.284   4.049   4.049
  516    HA   PHE  80           HA       PHE  80  -4.330   3.470   3.470
  517   1HB   PHE  80          2HB       PHE  80  -6.088   3.496   3.496
  518   2HB   PHE  80          3HB       PHE  80  -4.919   2.257   2.257
  519    HD1  PHE  80           HD2      PHE  80  -2.938   3.110   3.110
  520    HD2  PHE  80           HD1      PHE  80  -6.744   4.960   4.960
  521    HE1  PHE  80           HE2      PHE  80  -2.611   4.166   4.166
  522    HE2  PHE  80           HE1      PHE  80  -6.417   6.016   6.016
  523    HZ   PHE  80           HZ       PHE  80  -4.354   5.606   5.606
  524    H    ASN  81           HN       ASN  81  -6.266   5.313   5.313
  525    HA   ASN  81           HA       ASN  81  -4.718   7.769   7.769
  526   1HB   ASN  81          2HB       ASN  81  -7.278   7.798   7.798
  527   2HB   ASN  81          3HB       ASN  81  -5.830   8.760   8.760
  528   1HD2  ASN  81          2HD2      ASN  81  -6.033   4.887   4.887
  529   2HD2  ASN  81          1HD2      ASN  81  -6.938   5.379   5.379
  530    H    GLU  82           HN       GLU  82  -6.931   9.567   9.567
  531    HA   GLU  82           HA       GLU  82  -8.085   8.827   8.827
  532   1HB   GLU  82          2HB       GLU  82  -7.053  11.089  11.089
  533   2HB   GLU  82          3HB       GLU  82  -8.298  11.438  11.438
  534   1HG   GLU  82          2HG       GLU  82  -8.889  12.402  12.402
  535   2HG   GLU  82          3HG       GLU  82 -10.059  11.190  11.190
  536    H    ASN  83           HN       ASN  83  -8.921   7.452   7.452
  537    HA   ASN  83           HA       ASN  83 -11.673   8.401   8.401
  538   1HB   ASN  83          2HB       ASN  83 -11.278   6.498   6.498
  539   2HB   ASN  83          3HB       ASN  83 -11.394   8.236   8.236
  540   1HD2  ASN  83          2HD2      ASN  83  -7.832   6.229   6.229
  541   2HD2  ASN  83          1HD2      ASN  83  -9.315   5.475   5.475
  542    H    ASN  84           HN       ASN  84  -9.423   5.756   5.756
  543    HA   ASN  84           HA       ASN  84 -10.030   4.149   4.149
  544   1HB   ASN  84          2HB       ASN  84 -12.230   3.236   3.236
  545   2HB   ASN  84          3HB       ASN  84 -12.521   4.925   4.925
  546   1HD2  ASN  84          2HD2      ASN  84 -12.779   3.730   3.730
  547   2HD2  ASN  84          1HD2      ASN  84 -11.465   4.441   4.441
  548    H    GLN  85           HN       GLN  85  -8.984   4.411   4.411
  549    HA   GLN  85           HA       GLN  85  -9.640   1.770   1.770
  550   1HB   GLN  85          2HB       GLN  85  -8.212   4.142   4.142
  551   2HB   GLN  85          3HB       GLN  85  -8.367   2.584   2.584
  552   1HG   GLN  85          2HG       GLN  85 -10.797   2.734   2.734
  553   2HG   GLN  85          3HG       GLN  85 -10.778   4.136   4.136
  554   1HE2  GLN  85          2HE2      GLN  85  -9.324   6.311   6.311
  555   2HE2  GLN  85          1HE2      GLN  85  -8.997   5.812   5.812
  556    H    LEU  86           HN       LEU  86  -7.360   1.055   1.055
  557    HA   LEU  86           HA       LEU  86  -5.214   1.128   1.128
  558   1HB   LEU  86          2HB       LEU  86  -6.269  -0.911  -0.911
  559   2HB   LEU  86          3HB       LEU  86  -6.524  -1.294  -1.294
  560    HG   LEU  86           HG       LEU  86  -4.739  -2.621  -2.621
  561   1HD1  LEU  86          2HD1      LEU  86  -4.943  -2.497  -2.497
  562   2HD1  LEU  86          3HD1      LEU  86  -3.827  -1.110  -1.110
  563   3HD1  LEU  86          1HD1      LEU  86  -3.263  -2.706  -2.706
  564   1HD2  LEU  86          3HD2      LEU  86  -3.860  -0.333  -0.333
  565   2HD2  LEU  86          1HD2      LEU  86  -2.782  -1.720  -1.720
  566   3HD2  LEU  86          2HD2      LEU  86  -2.829  -0.369  -0.369
  567    H    ALA  87           HN       ALA  87  -3.264   1.622   1.622
  568    HA   ALA  87           HA       ALA  87  -3.151   2.197   2.197
  569   1HB   ALA  87          2HB       ALA  87  -1.781   2.925   2.925
  570   2HB   ALA  87          3HB       ALA  87  -0.574   2.077   2.077
  571   3HB   ALA  87          1HB       ALA  87  -1.442   3.485   3.485
  572    H    GLY  88           HN       GLY  88  -2.078  -0.468  -0.468
  573   1HA   GLY  88          1HA       GLY  88  -2.098  -2.443  -2.443
  574   2HA   GLY  88          2HA       GLY  88  -0.492  -1.754  -1.754
  575    H    VAL  89           HN       VAL  89   0.723  -3.429  -3.429
  576    HA   VAL  89           HA       VAL  89   0.450  -3.692  -3.692
  577    HB   VAL  89           HB       VAL  89   0.273  -6.023  -6.023
  578   1HG1  VAL  89          2HG1      VAL  89   1.603  -5.988  -5.988
  579   2HG1  VAL  89          3HG1      VAL  89   0.002  -6.662  -6.662
  580   3HG1  VAL  89          1HG1      VAL  89   1.011  -7.424  -7.424
  581   1HG2  VAL  89          1HG2      VAL  89  -1.659  -4.661  -4.661
  582   2HG2  VAL  89          2HG2      VAL  89  -1.907  -5.303  -5.303
  583   3HG2  VAL  89          3HG2      VAL  89  -1.798  -6.417  -6.417
  584    H    ILE  90           HN       ILE  90   2.422  -2.539  -2.539
  585    HA   ILE  90           HA       ILE  90   4.676  -3.533  -3.533
  586    HB   ILE  90           HB       ILE  90   5.860  -1.677  -1.677
  587   1HG1  ILE  90          2HG1      ILE  90   3.859  -1.852  -1.852
  588   2HG1  ILE  90          3HG1      ILE  90   5.493  -1.221  -1.221
  589   1HG2  ILE  90          2HG2      ILE  90   3.910  -1.427  -1.427
  590   2HG2  ILE  90          3HG2      ILE  90   3.172  -0.452  -0.452
  591   3HG2  ILE  90          1HG2      ILE  90   4.766  -0.005  -0.005
  592   1HD1  ILE  90          2HD1      ILE  90   4.335   0.732   0.732
  593   2HD1  ILE  90          3HD1      ILE  90   2.916   0.199   0.199
  594   3HD1  ILE  90          1HD1      ILE  90   4.373   0.775   0.775
  595    H    THR  91           HN       THR  91   6.785  -3.971  -3.971
  596    HA   THR  91           HA       THR  91   6.562  -4.901  -4.901
  597    HB   THR  91           HB       THR  91   5.451  -6.836  -6.836
  598    HG1  THR  91           HG1      THR  91   7.439  -8.360  -8.360
  599   1HG2  THR  91          3HG2      THR  91   7.411  -6.821  -6.821
  600   2HG2  THR  91          1HG2      THR  91   6.150  -8.042  -8.042
  601   3HG2  THR  91          2HG2      THR  91   5.693  -6.366  -6.366
  602    H    HIS  92           HN       HIS  92   8.610  -5.591  -5.591
  603    HA   HIS  92           HA       HIS  92  10.745  -4.246  -4.246
  604   1HB   HIS  92          2HB       HIS  92  10.483  -5.682  -5.682
  605   2HB   HIS  92          3HB       HIS  92  12.025  -5.084  -5.084
  606    HD1  HIS  92           HD1      HIS  92  12.472  -3.074  -3.074
  607    HD2  HIS  92           HD2      HIS  92   8.556  -3.118  -3.118
  608    HE1  HIS  92           HE1      HIS  92  11.416  -0.857  -0.857
  609    HE2  HIS  92           HE2      HIS  92   9.029  -0.919  -0.919
  610    H    THR  93           HN       THR  93   9.330  -7.280  -7.280
  611    HA   THR  93           HA       THR  93  11.156  -9.209  -9.209
  612    HB   THR  93           HB       THR  93   8.953  -8.404  -8.404
  613    HG1  THR  93           HG1      THR  93   8.119 -10.248 -10.248
  614   1HG2  THR  93          1HG2      THR  93  11.184 -10.260 -10.260
  615   2HG2  THR  93          2HG2      THR  93   9.569 -11.001 -11.001
  616   3HG2  THR  93          3HG2      THR  93   9.939  -9.558  -9.558
  617    H    GLY  94           HN       GLY  94  13.316  -8.627  -8.627
  618   1HA   GLY  94          1HA       GLY  94  15.234  -7.884  -7.884
  619   2HA   GLY  94          2HA       GLY  94  14.713  -8.955  -8.955
  620    H    ALA  95           HN       ALA  95  13.087  -5.903  -5.903
  621    HA   ALA  95           HA       ALA  95  12.791  -4.982  -4.982
  622   1HB   ALA  95          1HB       ALA  95  12.689  -3.677  -3.677
  623   2HB   ALA  95          2HB       ALA  95  12.363  -2.763  -2.763
  624   3HB   ALA  95          3HB       ALA  95  11.337  -4.151  -4.151
  625    H    SER  96           HN       SER  96  15.586  -5.155  -5.155
  626    HA   SER  96           HA       SER  96  17.662  -4.757  -4.757
  627   1HB   SER  96          2HB       SER  96  16.570  -3.996  -3.996
  628   2HB   SER  96          3HB       SER  96  16.720  -2.370  -2.370
  629    HG   SER  96           HG       SER  96  19.092  -3.672  -3.672
  630    H    GLY  97           HN       GLY  97  16.401  -3.920  -3.920
  631   1HA   GLY  97          1HA       GLY  97  17.752  -2.539  -2.539
  632   2HA   GLY  97          2HA       GLY  97  17.543  -1.219  -1.219
  633    H    ASN  98           HN       ASN  98  16.172   0.256   0.256
  634    HA   ASN  98           HA       ASN  98  13.980  -0.763  -0.763
  635   1HB   ASN  98          2HB       ASN  98  15.280   1.101   1.101
  636   2HB   ASN  98          3HB       ASN  98  15.057   2.060   2.060
  637   1HD2  ASN  98          2HD2      ASN  98  11.455   1.246   1.246
  638   2HD2  ASN  98          1HD2      ASN  98  12.516   0.012   0.012
  639    H    ASN  99           HN       ASN  99  14.532  -0.379  -0.379
  640    HA   ASN  99           HA       ASN  99  12.494   1.354   1.354
  641   1HB   ASN  99          2HB       ASN  99  12.816  -0.320  -0.320
  642   2HB   ASN  99          3HB       ASN  99  13.895   1.015   1.015
  643   1HD2  ASN  99          2HD2      ASN  99  15.111  -2.596  -2.596
  644   2HD2  ASN  99          1HD2      ASN  99  13.527  -1.949  -1.949
  645    H    PHE 100           HN       PHE 100  10.483   0.605   0.605
  646    HA   PHE 100           HA       PHE 100   9.453  -1.872  -1.872
  647   1HB   PHE 100          2HB       PHE 100   8.323   0.854   0.854
  648   2HB   PHE 100          3HB       PHE 100   7.235  -0.520  -0.520
  649    HD1  PHE 100           HD2      PHE 100   7.671  -2.033  -2.033
  650    HD2  PHE 100           HD1      PHE 100   8.208   2.157   2.157
  651    HE1  PHE 100           HE2      PHE 100   7.348  -1.749  -1.749
  652    HE2  PHE 100           HE1      PHE 100   7.884   2.440   2.440
  653    HZ   PHE 100           HZ       PHE 100   7.458   0.484   0.484
  654    H    VAL 101           HN       VAL 101   7.699  -2.962  -2.962
  655    HA   VAL 101           HA       VAL 101   7.738  -2.438  -2.438
  656    HB   VAL 101           HB       VAL 101   8.716  -4.598  -4.598
  657   1HG1  VAL 101          2HG1      VAL 101  10.032  -2.433  -2.433
  658   2HG1  VAL 101          3HG1      VAL 101  10.707  -3.015  -3.015
  659   3HG1  VAL 101          1HG1      VAL 101  10.998  -3.928  -3.928
  660   1HG2  VAL 101          3HG2      VAL 101   8.304  -5.647  -5.647
  661   2HG2  VAL 101          1HG2      VAL 101   9.839  -6.041  -6.041
  662   3HG2  VAL 101          2HG2      VAL 101   9.810  -4.844  -4.844
  663    H    GLU 102           HN       GLU 102   5.851  -3.195  -3.195
  664    HA   GLU 102           HA       GLU 102   3.856  -4.047  -4.047
  665   1HB   GLU 102          2HB       GLU 102   2.954  -4.888  -4.888
  666   2HB   GLU 102          3HB       GLU 102   2.886  -3.227  -3.227
  667   1HG   GLU 102          2HG       GLU 102   4.805  -2.591  -2.591
  668   2HG   GLU 102          3HG       GLU 102   5.399  -4.234  -4.234
  669    H    CYS 103           HN       CYS 103   3.320  -6.004  -6.004
  670    HA   CYS 103           HA       CYS 103   4.979  -8.178  -8.178
  671   1HB   CYS 103          2HB       CYS 103   2.043  -8.166  -8.166
  672   2HB   CYS 103          3HB       CYS 103   3.184  -9.446  -9.446
  673    H    THR 104           HN       THR 104   3.348 -10.447 -10.447
  674    HA   THR 104           HA       THR 104   2.868 -10.106 -10.106
  675    HB   THR 104           HB       THR 104   3.686 -12.403 -12.403
  676    HG1  THR 104           HG1      THR 104   2.678 -13.057 -13.057
  677   1HG2  THR 104          1HG2      THR 104   5.475 -10.586 -10.586
  678   2HG2  THR 104          2HG2      THR 104   5.476 -11.135 -11.135
  679   3HG2  THR 104          3HG2      THR 104   5.959 -12.253 -12.253

  Start of MODEL   12
    1    H    ALA   1           HN       ALA   1  -8.993 -14.938 -14.938
    2    HA   ALA   1           HA       ALA   1  -7.763 -16.875 -16.875
    3   1HB   ALA   1          1HB       ALA   1  -9.133 -16.424 -16.424
    4   2HB   ALA   1          2HB       ALA   1  -8.317 -14.849 -14.849
    5   3HB   ALA   1          3HB       ALA   1  -7.379 -16.356 -16.356
    6    H    CYS   2           HN       CYS   2  -6.082 -14.981 -14.981
    7    HA   CYS   2           HA       CYS   2  -5.109 -13.021 -13.021
    8   1HB   CYS   2          2HB       CYS   2  -2.821 -14.659 -14.659
    9   2HB   CYS   2          3HB       CYS   2  -3.345 -14.012 -14.012
   10    H    ASP   3           HN       ASP   3  -4.218 -11.362 -11.362
   11    HA   ASP   3           HA       ASP   3  -3.472 -12.090 -12.090
   12   1HB   ASP   3          2HB       ASP   3  -5.401 -10.041 -10.041
   13   2HB   ASP   3          3HB       ASP   3  -4.305  -9.469  -9.469
   14    H    TYR   4           HN       TYR   4  -2.669 -10.758 -10.758
   15    HA   TYR   4           HA       TYR   4  -0.394  -9.322  -9.322
   16   1HB   TYR   4          2HB       TYR   4  -2.216  -8.624  -8.624
   17   2HB   TYR   4          3HB       TYR   4  -0.752  -7.738  -7.738
   18    HD1  TYR   4           HD2      TYR   4  -0.623  -6.623  -6.623
   19    HD2  TYR   4           HD1      TYR   4  -4.266  -7.982  -7.982
   20    HE1  TYR   4           HE2      TYR   4  -1.954  -5.101  -5.101
   21    HE2  TYR   4           HE1      TYR   4  -5.586  -6.456  -6.456
   22    HH   TYR   4           HH       TYR   4  -5.080  -4.274  -4.274
   23    H    THR   5           HN       THR   5   0.528 -11.584 -11.584
   24    HA   THR   5           HA       THR   5   0.920 -12.253 -12.253
   25    HB   THR   5           HB       THR   5   1.646 -13.467 -13.467
   26    HG1  THR   5           HG1      THR   5   0.411 -14.892 -14.892
   27   1HG2  THR   5          2HG2      THR   5   2.460 -14.363 -14.363
   28   2HG2  THR   5          3HG2      THR   5   2.405 -15.466 -15.466
   29   3HG2  THR   5          1HG2      THR   5   3.537 -14.091 -14.091
   30    H    CYS   6           HN       CYS   6   2.228 -10.932 -10.932
   31    HA   CYS   6           HA       CYS   6   4.492  -9.744  -9.744
   32   1HB   CYS   6          2HB       CYS   6   3.271  -9.611  -9.611
   33   2HB   CYS   6          3HB       CYS   6   4.914  -9.048  -9.048
   34    H    GLY   7           HN       GLY   7   5.082 -12.214 -12.214
   35   1HA   GLY   7          1HA       GLY   7   6.692 -13.774 -13.774
   36   2HA   GLY   7          2HA       GLY   7   7.357 -12.863 -12.863
   37    H    SER   8           HN       SER   8   5.508 -12.840 -12.840
   38    HA   SER   8           HA       SER   8   4.774 -15.644 -15.644
   39   1HB   SER   8          2HB       SER   8   5.575 -15.673 -15.673
   40   2HB   SER   8          3HB       SER   8   6.858 -14.944 -14.944
   41    HG   SER   8           HG       SER   8   5.095 -13.750 -13.750
   42    H    ASN   9           HN       ASN   9   2.902 -13.958 -13.958
   43    HA   ASN   9           HA       ASN   9   1.164 -13.589 -13.589
   44   1HB   ASN   9          2HB       ASN   9   1.412 -11.532 -11.532
   45   2HB   ASN   9          3HB       ASN   9   0.378 -11.401 -11.401
   46   1HD2  ASN   9          2HD2      ASN   9   4.500 -11.102 -11.102
   47   2HD2  ASN   9          1HD2      ASN   9   3.790 -12.129 -12.129
   48    H    CYS  10           HN       CYS  10  -1.149 -12.744 -12.744
   49    HA   CYS  10           HA       CYS  10  -1.601 -13.744 -13.744
   50   1HB   CYS  10          2HB       CYS  10  -1.205 -15.886 -15.886
   51   2HB   CYS  10          3HB       CYS  10  -2.876 -15.609 -15.609
   52    H    TYR  11           HN       TYR  11  -2.304 -11.375 -11.375
   53    HA   TYR  11           HA       TYR  11  -5.124 -11.590 -11.590
   54   1HB   TYR  11          2HB       TYR  11  -4.419  -9.139  -9.139
   55   2HB   TYR  11          3HB       TYR  11  -4.120 -10.559 -10.559
   56    HD1  TYR  11           HD2      TYR  11  -2.255  -9.309  -9.309
   57    HD2  TYR  11           HD1      TYR  11  -2.176 -10.084 -10.084
   58    HE1  TYR  11           HE2      TYR  11   0.225  -8.751  -8.751
   59    HE2  TYR  11           HE1      TYR  11   0.304  -9.523  -9.523
   60    HH   TYR  11           HH       TYR  11   1.845  -8.057  -8.057
   61    H    SER  12           HN       SER  12  -6.040 -11.372 -11.372
   62    HA   SER  12           HA       SER  12  -5.013  -9.729  -9.729
   63   1HB   SER  12          2HB       SER  12  -7.684 -11.030 -11.030
   64   2HB   SER  12          3HB       SER  12  -7.572  -9.853  -9.853
   65    HG   SER  12           HG       SER  12  -6.796 -12.451 -12.451
   66    H    SER  13           HN       SER  13  -6.746  -7.935  -7.935
   67    HA   SER  13           HA       SER  13  -6.437  -5.734  -5.734
   68   1HB   SER  13          2HB       SER  13  -8.623  -5.040  -5.040
   69   2HB   SER  13          3HB       SER  13  -6.970  -5.020  -5.020
   70    HG   SER  13           HG       SER  13  -8.308  -6.214  -6.214
   71    H    SER  14           HN       SER  14  -8.672  -8.346  -8.346
   72    HA   SER  14           HA       SER  14 -10.674  -6.778  -6.778
   73   1HB   SER  14          2HB       SER  14 -11.255  -8.824  -8.824
   74   2HB   SER  14          3HB       SER  14 -10.286  -9.799  -9.799
   75    HG   SER  14           HG       SER  14 -12.454  -9.944  -9.944
   76    H    ASP  15           HN       ASP  15  -7.777  -8.649  -8.649
   77    HA   ASP  15           HA       ASP  15  -8.473  -8.787  -8.787
   78   1HB   ASP  15          2HB       ASP  15  -6.189  -9.635  -9.635
   79   2HB   ASP  15          3HB       ASP  15  -5.793  -9.342  -9.342
   80    H    VAL  16           HN       VAL  16  -6.340  -6.895  -6.895
   81    HA   VAL  16           HA       VAL  16  -4.871  -5.513  -5.513
   82    HB   VAL  16           HB       VAL  16  -5.824  -4.693  -4.693
   83   1HG1  VAL  16          2HG1      VAL  16  -4.026  -3.371  -3.371
   84   2HG1  VAL  16          3HG1      VAL  16  -3.505  -3.370  -3.370
   85   3HG1  VAL  16          1HG1      VAL  16  -5.075  -2.664  -2.664
   86   1HG2  VAL  16          1HG2      VAL  16  -4.417  -6.848  -6.848
   87   2HG2  VAL  16          2HG2      VAL  16  -3.909  -5.686  -5.686
   88   3HG2  VAL  16          3HG2      VAL  16  -3.077  -5.722  -5.722
   89    H    SER  17           HN       SER  17  -8.054  -4.722  -4.722
   90    HA   SER  17           HA       SER  17  -8.538  -2.301  -2.301
   91   1HB   SER  17          2HB       SER  17 -10.118  -3.939  -3.939
   92   2HB   SER  17          3HB       SER  17 -10.573  -4.531  -4.531
   93    HG   SER  17           HG       SER  17 -10.910  -2.026  -2.026
   94    H    THR  18           HN       THR  18  -9.033  -5.298  -5.298
   95    HA   THR  18           HA       THR  18  -9.928  -4.154  -4.154
   96    HB   THR  18           HB       THR  18  -8.318  -6.596  -6.596
   97    HG1  THR  18           HG1      THR  18 -10.797  -5.845  -5.845
   98   1HG2  THR  18          3HG2      THR  18  -7.475  -5.731  -5.731
   99   2HG2  THR  18          1HG2      THR  18  -9.140  -5.992  -5.992
  100   3HG2  THR  18          2HG2      THR  18  -8.179  -7.366  -7.366
  101    H    ALA  19           HN       ALA  19  -6.464  -4.627  -4.627
  102    HA   ALA  19           HA       ALA  19  -5.414  -3.466  -3.466
  103   1HB   ALA  19          1HB       ALA  19  -4.457  -3.981  -3.981
  104   2HB   ALA  19          2HB       ALA  19  -3.449  -3.022  -3.022
  105   3HB   ALA  19          3HB       ALA  19  -3.899  -4.691  -4.691
  106    H    GLN  20           HN       GLN  20  -6.432  -2.062  -2.062
  107    HA   GLN  20           HA       GLN  20  -5.465   0.470   0.470
  108   1HB   GLN  20          2HB       GLN  20  -8.048  -0.168  -0.168
  109   2HB   GLN  20          3HB       GLN  20  -6.952   1.167   1.167
  110   1HG   GLN  20          2HG       GLN  20  -5.249  -0.276  -0.276
  111   2HG   GLN  20          3HG       GLN  20  -6.000  -1.713  -1.713
  112   1HE2  GLN  20          2HE2      GLN  20  -8.043   0.156   0.156
  113   2HE2  GLN  20          1HE2      GLN  20  -7.381   1.048   1.048
  114    H    ALA  21           HN       ALA  21  -8.811  -0.826  -0.826
  115    HA   ALA  21           HA       ALA  21 -10.089   1.291   1.291
  116   1HB   ALA  21          2HB       ALA  21 -10.452  -1.427  -1.427
  117   2HB   ALA  21          3HB       ALA  21 -10.288  -1.062  -1.062
  118   3HB   ALA  21          1HB       ALA  21 -11.543  -0.248  -0.248
  119    H    ALA  22           HN       ALA  22  -7.381  -0.417  -0.417
  120    HA   ALA  22           HA       ALA  22  -7.676   0.957   0.957
  121   1HB   ALA  22          1HB       ALA  22  -6.528  -1.306  -1.306
  122   2HB   ALA  22          2HB       ALA  22  -5.141  -0.322  -0.322
  123   3HB   ALA  22          3HB       ALA  22  -5.722  -0.214  -0.214
  124    H    GLY  23           HN       GLY  23  -5.308   1.222   1.222
  125   1HA   GLY  23          1HA       GLY  23  -3.935   3.445   3.445
  126   2HA   GLY  23          2HA       GLY  23  -4.124   2.973   2.973
  127    H    TYR  24           HN       TYR  24  -6.977   3.215   3.215
  128    HA   TYR  24           HA       TYR  24  -7.161   5.985   5.985
  129   1HB   TYR  24          2HB       TYR  24  -8.327   3.706   3.706
  130   2HB   TYR  24          3HB       TYR  24  -9.516   4.068   4.068
  131    HD1  TYR  24           HD2      TYR  24  -7.873   5.467   5.467
  132    HD2  TYR  24           HD1      TYR  24 -11.216   5.671   5.671
  133    HE1  TYR  24           HE2      TYR  24  -9.051   7.065   7.065
  134    HE2  TYR  24           HE1      TYR  24 -12.382   7.268   7.268
  135    HH   TYR  24           HH       TYR  24 -11.668   8.904   8.904
  136    H    LYS  25           HN       LYS  25  -9.163   3.879   3.879
  137    HA   LYS  25           HA       LYS  25 -10.596   5.745   5.745
  138   1HB   LYS  25          2HB       LYS  25 -10.753   3.331   3.331
  139   2HB   LYS  25          3HB       LYS  25  -9.238   3.358   3.358
  140   1HG   LYS  25          2HG       LYS  25 -10.963   3.455   3.455
  141   2HG   LYS  25          3HG       LYS  25 -10.288   5.069   5.069
  142   1HD   LYS  25          2HD       LYS  25 -12.149   5.877   5.877
  143   2HD   LYS  25          3HD       LYS  25 -12.749   4.252   4.252
  144   1HE   LYS  25          2HE       LYS  25 -12.521   5.460   5.460
  145   2HE   LYS  25          3HE       LYS  25 -13.957   5.658   5.658
  146   1HZ   LYS  25          3HZ       LYS  25 -14.015   3.209   3.209
  147   2HZ   LYS  25          1HZ       LYS  25 -12.803   3.123   3.123
  148   3HZ   LYS  25          2HZ       LYS  25 -14.241   3.769   3.769
  149    H    LEU  26           HN       LEU  26  -7.327   4.680   4.680
  150    HA   LEU  26           HA       LEU  26  -7.120   6.671   6.671
  151   1HB   LEU  26          2HB       LEU  26  -5.764   4.689   4.689
  152   2HB   LEU  26          3HB       LEU  26  -5.026   5.109   5.109
  153    HG   LEU  26           HG       LEU  26  -4.396   7.311   7.311
  154   1HD1  LEU  26          3HD1      LEU  26  -5.384   6.329   6.329
  155   2HD1  LEU  26          1HD1      LEU  26  -4.261   4.955   4.955
  156   3HD1  LEU  26          2HD1      LEU  26  -3.632   6.594   6.594
  157   1HD2  LEU  26          1HD2      LEU  26  -3.032   4.878   4.878
  158   2HD2  LEU  26          2HD2      LEU  26  -2.558   6.590   6.590
  159   3HD2  LEU  26          3HD2      LEU  26  -2.231   5.689   5.689
  160    H    HIS  27           HN       HIS  27  -6.404   6.654   6.654
  161    HA   HIS  27           HA       HIS  27  -4.980   9.062   9.062
  162   1HB   HIS  27          2HB       HIS  27  -4.795   7.552   7.552
  163   2HB   HIS  27          3HB       HIS  27  -6.525   7.555   7.555
  164    HD1  HIS  27           HD1      HIS  27  -3.819  10.290  10.290
  165    HD2  HIS  27           HD2      HIS  27  -7.119   9.085   9.085
  166    HE1  HIS  27           HE1      HIS  27  -4.003  11.960  11.960
  167    HE2  HIS  27           HE2      HIS  27  -6.014  11.136  11.136
  168    H    GLU  28           HN       GLU  28  -8.474   8.293   8.293
  169    HA   GLU  28           HA       GLU  28  -9.243  10.875  10.875
  170   1HB   GLU  28          2HB       GLU  28 -11.298   9.388   9.388
  171   2HB   GLU  28          3HB       GLU  28 -11.280   9.905   9.905
  172   1HG   GLU  28          2HG       GLU  28  -9.704   7.949   7.949
  173   2HG   GLU  28          3HG       GLU  28  -9.976   7.394   7.394
  174    H    ASP  29           HN       ASP  29  -8.472   9.262   9.262
  175    HA   ASP  29           HA       ASP  29  -9.744  11.300  11.300
  176   1HB   ASP  29          2HB       ASP  29  -8.104   8.823   8.823
  177   2HB   ASP  29          3HB       ASP  29  -8.305  10.011  10.011
  178    H    GLY  30           HN       GLY  30  -6.751  10.768  10.768
  179   1HA   GLY  30          1HA       GLY  30  -4.932  12.098  12.098
  180   2HA   GLY  30          2HA       GLY  30  -5.624  13.216  13.216
  181    H    GLU  31           HN       GLU  31  -5.433   9.818   9.818
  182    HA   GLU  31           HA       GLU  31  -3.403  10.577  10.577
  183   1HB   GLU  31          2HB       GLU  31  -5.429   8.317   8.317
  184   2HB   GLU  31          3HB       GLU  31  -4.099   8.273   8.273
  185   1HG   GLU  31          2HG       GLU  31  -6.022  10.634  10.634
  186   2HG   GLU  31          3HG       GLU  31  -6.282   9.288   9.288
  187    H    THR  32           HN       THR  32  -1.941   8.496   8.496
  188    HA   THR  32           HA       THR  32  -1.054   7.248   7.248
  189    HB   THR  32           HB       THR  32   1.300   7.665   7.665
  190    HG1  THR  32           HG1      THR  32   0.270   7.932   7.932
  191   1HG2  THR  32          2HG2      THR  32  -0.578   9.724   9.724
  192   2HG2  THR  32          3HG2      THR  32   0.637  10.423  10.423
  193   3HG2  THR  32          1HG2      THR  32   1.156   9.556   9.556
  194    H    VAL  33           HN       VAL  33   0.666   5.441   5.441
  195    HA   VAL  33           HA       VAL  33  -0.373   4.035   4.035
  196    HB   VAL  33           HB       VAL  33  -0.703   2.061   2.061
  197   1HG1  VAL  33          2HG1      VAL  33  -2.284   4.052   4.052
  198   2HG1  VAL  33          3HG1      VAL  33  -1.534   3.970   3.970
  199   3HG1  VAL  33          1HG1      VAL  33  -2.395   2.556   2.556
  200   1HG2  VAL  33          3HG2      VAL  33   1.484   2.215   2.215
  201   2HG2  VAL  33          1HG2      VAL  33   0.129   1.511   1.511
  202   3HG2  VAL  33          2HG2      VAL  33   0.633   3.191   3.191
  203    H    GLY  34           HN       GLY  34   1.194   3.098   3.098
  204   1HA   GLY  34          1HA       GLY  34   3.230   2.313   2.313
  205   2HA   GLY  34          2HA       GLY  34   3.777   2.422   2.422
  206    H    SER  35           HN       SER  35   5.822   3.323   3.323
  207    HA   SER  35           HA       SER  35   5.628   5.907   5.907
  208   1HB   SER  35          2HB       SER  35   7.626   3.775   3.775
  209   2HB   SER  35          3HB       SER  35   8.341   5.330   5.330
  210    HG   SER  35           HG       SER  35   6.800   5.790   5.790
  211    H    ASN  36           HN       ASN  36   5.827   4.500   4.500
  212    HA   ASN  36           HA       ASN  36   7.377   6.551   6.551
  213   1HB   ASN  36          2HB       ASN  36   5.975   4.080   4.080
  214   2HB   ASN  36          3HB       ASN  36   5.849   5.352   5.352
  215   1HD2  ASN  36          2HD2      ASN  36   8.876   3.450   3.450
  216   2HD2  ASN  36          1HD2      ASN  36   7.160   3.219   3.219
  217    H    SER  37           HN       SER  37   5.589   6.858   6.858
  218    HA   SER  37           HA       SER  37   3.402   8.354   8.354
  219   1HB   SER  37          2HB       SER  37   3.857  10.293  10.293
  220   2HB   SER  37          3HB       SER  37   5.467   9.750   9.750
  221    HG   SER  37           HG       SER  37   5.875   9.745   9.745
  222    H    TYR  38           HN       TYR  38   2.818   5.869   5.869
  223    HA   TYR  38           HA       TYR  38   1.972   6.032   6.032
  224   1HB   TYR  38          2HB       TYR  38   2.246   3.795   3.795
  225   2HB   TYR  38          3HB       TYR  38   1.636   3.506   3.506
  226    HD1  TYR  38           HD2      TYR  38   4.552   5.519   5.519
  227    HD2  TYR  38           HD1      TYR  38   3.203   2.259   2.259
  228    HE1  TYR  38           HE2      TYR  38   6.925   5.147   5.147
  229    HE2  TYR  38           HE1      TYR  38   5.580   1.899   1.899
  230    HH   TYR  38           HH       TYR  38   7.664   3.517   3.517
  231    HA   PRO  39           HA       PRO  39   0.715   5.098   5.098
  232   1HB   PRO  39          2HB       PRO  39  -1.272   6.041   6.041
  233   2HB   PRO  39          3HB       PRO  39  -1.203   4.384   4.384
  234   1HG   PRO  39          2HG       PRO  39  -2.967   6.581   6.581
  235   2HG   PRO  39          3HG       PRO  39  -3.157   4.854   4.854
  236   1HD   PRO  39          2HD       PRO  39  -2.275   6.763   6.763
  237   2HD   PRO  39          3HD       PRO  39  -2.354   5.024   5.024
  238    H    HIS  40           HN       HIS  40   0.633   6.649   6.649
  239    HA   HIS  40           HA       HIS  40   0.707   9.362   9.362
  240   1HB   HIS  40          2HB       HIS  40   3.061   9.859   9.859
  241   2HB   HIS  40          3HB       HIS  40   2.591   8.817   8.817
  242    HD1  HIS  40           HD1      HIS  40   4.423   8.672   8.672
  243    HD2  HIS  40           HD2      HIS  40   3.986   6.429   6.429
  244    HE1  HIS  40           HE1      HIS  40   6.144   6.793   6.793
  245    HE2  HIS  40           HE2      HIS  40   5.865   5.481   5.481
  246    H    LYS  41           HN       LYS  41   1.740  10.584  10.584
  247    HA   LYS  41           HA       LYS  41   0.842   9.590   9.590
  248   1HB   LYS  41          2HB       LYS  41   1.375  11.955  11.955
  249   2HB   LYS  41          3HB       LYS  41   3.086  11.581  11.581
  250   1HG   LYS  41          2HG       LYS  41   1.382  10.789  10.789
  251   2HG   LYS  41          3HG       LYS  41   1.828  12.473  12.473
  252   1HD   LYS  41          2HD       LYS  41   4.028  10.450  10.450
  253   2HD   LYS  41          3HD       LYS  41   3.396  10.673  10.673
  254   1HE   LYS  41          2HE       LYS  41   5.166  12.258  12.258
  255   2HE   LYS  41          3HE       LYS  41   3.718  13.218  13.218
  256   1HZ   LYS  41          1HZ       LYS  41   4.933  12.089  12.089
  257   2HZ   LYS  41          2HZ       LYS  41   5.719  13.327  13.327
  258   3HZ   LYS  41          3HZ       LYS  41   4.183  13.525  13.525
  259    H    TYR  42           HN       TYR  42   2.022   8.866   8.866
  260    HA   TYR  42           HA       TYR  42   4.605   7.647   7.647
  261   1HB   TYR  42          2HB       TYR  42   3.077   5.866   5.866
  262   2HB   TYR  42          3HB       TYR  42   1.930   6.260   6.260
  263    HD1  TYR  42           HD1      TYR  42   2.833   5.948   5.948
  264    HD2  TYR  42           HD2      TYR  42   4.491   4.039   4.039
  265    HE1  TYR  42           HE1      TYR  42   3.852   4.147   4.147
  266    HE2  TYR  42           HE2      TYR  42   5.504   2.244   2.244
  267    HH   TYR  42           HH       TYR  42   6.125   1.855   1.855
  268    H    ASN  43           HN       ASN  43   1.878   8.523   8.523
  269    HA   ASN  43           HA       ASN  43   1.749   8.957   8.957
  270   1HB   ASN  43          2HB       ASN  43   4.524   9.847   9.847
  271   2HB   ASN  43          3HB       ASN  43   4.211   9.694   9.694
  272   1HD2  ASN  43          2HD2      ASN  43   1.455  12.071  12.071
  273   2HD2  ASN  43          1HD2      ASN  43   1.796  10.446  10.446
  274    H    ASN  44           HN       ASN  44   5.167   8.225   8.225
  275    HA   ASN  44           HA       ASN  44   5.415   5.649   5.649
  276   1HB   ASN  44          2HB       ASN  44   4.465   4.817   4.817
  277   2HB   ASN  44          3HB       ASN  44   3.164   5.704   5.704
  278   1HD2  ASN  44          2HD2      ASN  44   4.782   6.856   6.856
  279   2HD2  ASN  44          1HD2      ASN  44   5.376   5.527   5.527
  280    H    TYR  45           HN       TYR  45   6.777   5.034   5.034
  281    HA   TYR  45           HA       TYR  45   7.851   6.950   6.950
  282   1HB   TYR  45          2HB       TYR  45   8.872   6.850   6.850
  283   2HB   TYR  45          3HB       TYR  45  10.141   6.806   6.806
  284    HD1  TYR  45           HD1      TYR  45   7.353   8.579   8.579
  285    HD2  TYR  45           HD2      TYR  45  10.699   8.999   8.999
  286    HE1  TYR  45           HE1      TYR  45   7.225  11.108  11.108
  287    HE2  TYR  45           HE2      TYR  45  10.559  11.526  11.526
  288    HH   TYR  45           HH       TYR  45   9.626  13.185  13.185
  289    H    GLU  46           HN       GLU  46   8.805   4.240   4.240
  290    HA   GLU  46           HA       GLU  46  10.819   3.194   3.194
  291   1HB   GLU  46          2HB       GLU  46   8.625   1.694   1.694
  292   2HB   GLU  46          3HB       GLU  46  10.145   0.979   0.979
  293   1HG   GLU  46          2HG       GLU  46   9.596   2.952   2.952
  294   2HG   GLU  46          3HG       GLU  46  10.743   1.628   1.628
  295    H    GLY  47           HN       GLY  47   7.522   3.532   3.532
  296   1HA   GLY  47          1HA       GLY  47   7.103   3.234   3.234
  297   2HA   GLY  47          2HA       GLY  47   8.029   1.748   1.748
  298    H    PHE  48           HN       PHE  48   5.368   3.159   3.159
  299    HA   PHE  48           HA       PHE  48   4.088   0.539   0.539
  300   1HB   PHE  48          2HB       PHE  48   3.786   3.104   3.104
  301   2HB   PHE  48          3HB       PHE  48   2.700   1.742   1.742
  302    HD1  PHE  48           HD2      PHE  48   3.639  -0.462  -0.462
  303    HD2  PHE  48           HD1      PHE  48   5.909   3.123   3.123
  304    HE1  PHE  48           HE2      PHE  48   5.230  -1.500  -1.500
  305    HE2  PHE  48           HE1      PHE  48   7.500   2.085   2.085
  306    HZ   PHE  48           HZ       PHE  48   7.141  -0.214  -0.214
  307    H    ASP  49           HN       ASP  49   2.125   0.186   0.186
  308    HA   ASP  49           HA       ASP  49   1.133   2.407   2.407
  309   1HB   ASP  49          2HB       ASP  49  -0.146  -0.321  -0.321
  310   2HB   ASP  49          3HB       ASP  49   0.109   0.803   0.803
  311    H    PHE  50           HN       PHE  50   0.433   3.313   3.313
  312    HA   PHE  50           HA       PHE  50  -1.706   2.021   2.021
  313   1HB   PHE  50          2HB       PHE  50  -0.535   4.860   4.860
  314   2HB   PHE  50          3HB       PHE  50  -1.828   4.435   4.435
  315    HD1  PHE  50           HD1      PHE  50  -0.010   1.535   1.535
  316    HD2  PHE  50           HD2      PHE  50   0.319   5.464   5.464
  317    HE1  PHE  50           HE1      PHE  50   1.680   0.726   0.726
  318    HE2  PHE  50           HE2      PHE  50   2.009   4.655   4.655
  319    HZ   PHE  50           HZ       PHE  50   2.670   2.296   2.296
  320    H    SER  51           HN       SER  51  -3.465   1.593   1.593
  321    HA   SER  51           HA       SER  51  -4.415   3.557   3.557
  322   1HB   SER  51          2HB       SER  51  -6.282   1.981   1.981
  323   2HB   SER  51          3HB       SER  51  -4.741   1.147   1.147
  324    HG   SER  51           HG       SER  51  -5.113   0.374   0.374
  325    H    VAL  52           HN       VAL  52  -4.148   4.445   4.445
  326    HA   VAL  52           HA       VAL  52  -6.973   5.086   5.086
  327    HB   VAL  52           HB       VAL  52  -6.483   5.117   5.117
  328   1HG1  VAL  52          3HG1      VAL  52  -5.581   2.560   2.560
  329   2HG1  VAL  52          1HG1      VAL  52  -6.008   2.692   2.692
  330   3HG1  VAL  52          2HG1      VAL  52  -7.239   3.002   3.002
  331   1HG2  VAL  52          1HG2      VAL  52  -3.675   4.844   4.844
  332   2HG2  VAL  52          2HG2      VAL  52  -4.339   5.704   5.704
  333   3HG2  VAL  52          3HG2      VAL  52  -4.111   3.940   3.940
  334    H    SER  53           HN       SER  53  -7.271   7.234   7.234
  335    HA   SER  53           HA       SER  53  -5.462   9.093   9.093
  336   1HB   SER  53          2HB       SER  53  -8.049   9.216   9.216
  337   2HB   SER  53          3HB       SER  53  -7.971   9.758   9.758
  338    HG   SER  53           HG       SER  53  -6.792  11.602  11.602
  339    H    SER  54           HN       SER  54  -4.127  10.551  10.551
  340    HA   SER  54           HA       SER  54  -3.340   9.770   9.770
  341   1HB   SER  54          2HB       SER  54  -1.671  11.353  11.353
  342   2HB   SER  54          3HB       SER  54  -2.163  11.203  11.203
  343    HG   SER  54           HG       SER  54  -2.329  13.388  13.388
  344    HA   PRO  55           HA       PRO  55  -2.129  11.479  11.479
  345   1HB   PRO  55          2HB       PRO  55  -1.853  11.640  11.640
  346   2HB   PRO  55          3HB       PRO  55  -1.710  13.027  13.027
  347   1HG   PRO  55          2HG       PRO  55  -3.944  12.283  12.283
  348   2HG   PRO  55          3HG       PRO  55  -3.593  13.837  13.837
  349   1HD   PRO  55          2HD       PRO  55  -5.600  11.967  11.967
  350   2HD   PRO  55          3HD       PRO  55  -5.170  13.467  13.467
  351    H    TYR  56           HN       TYR  56  -0.697   9.778   9.778
  352    HA   TYR  56           HA       TYR  56  -2.322   7.388   7.388
  353   1HB   TYR  56          2HB       TYR  56   0.578   7.972   7.972
  354   2HB   TYR  56          3HB       TYR  56  -0.053   6.346   6.346
  355    HD1  TYR  56           HD1      TYR  56  -2.852   6.963   6.963
  356    HD2  TYR  56           HD2      TYR  56   1.112   7.873   7.873
  357    HE1  TYR  56           HE1      TYR  56  -3.668   7.036   7.036
  358    HE2  TYR  56           HE2      TYR  56   0.281   7.943   7.943
  359    HH   TYR  56           HH       TYR  56  -1.977   8.427   8.427
  360    H    TYR  57           HN       TYR  57  -2.476   6.611   6.611
  361    HA   TYR  57           HA       TYR  57  -0.404   7.401   7.401
  362   1HB   TYR  57          2HB       TYR  57  -3.138   6.006   6.006
  363   2HB   TYR  57          3HB       TYR  57  -2.196   6.642   6.642
  364    HD1  TYR  57           HD2      TYR  57  -1.404   9.192   9.192
  365    HD2  TYR  57           HD1      TYR  57  -5.070   7.358   7.358
  366    HE1  TYR  57           HE2      TYR  57  -2.602  11.423  11.423
  367    HE2  TYR  57           HE1      TYR  57  -6.256   9.595   9.595
  368    HH   TYR  57           HH       TYR  57  -4.836  12.394  12.394
  369    H    GLU  58           HN       GLU  58   0.994   5.952   5.952
  370    HA   GLU  58           HA       GLU  58   0.687   3.212   3.212
  371   1HB   GLU  58          2HB       GLU  58   3.121   2.999   2.999
  372   2HB   GLU  58          3HB       GLU  58   2.805   4.205   4.205
  373   1HG   GLU  58          2HG       GLU  58   2.853   5.998   5.998
  374   2HG   GLU  58          3HG       GLU  58   3.199   4.786   4.786
  375    H    TRP  59           HN       TRP  59   0.312   1.544   1.544
  376    HA   TRP  59           HA       TRP  59   0.769   2.074   2.074
  377   1HB   TRP  59          2HB       TRP  59  -1.474   2.700   2.700
  378   2HB   TRP  59          3HB       TRP  59  -1.881   1.457   1.457
  379    HD1  TRP  59           HD1      TRP  59  -2.496  -0.975  -0.975
  380    HE1  TRP  59           HE1      TRP  59  -3.004  -1.968  -1.968
  381    HE3  TRP  59           HE3      TRP  59  -0.714   3.008   3.008
  382    HZ2  TRP  59           HZ2      TRP  59  -2.611  -0.999  -0.999
  383    HZ3  TRP  59           HZ3      TRP  59  -0.814   2.905   2.905
  384    HH2  TRP  59           HH2      TRP  59  -1.721   0.990   0.990
  385    HA   PRO  60           HA       PRO  60   2.176  -2.023  -2.023
  386   1HB   PRO  60          2HB       PRO  60   2.302  -2.741  -2.741
  387   2HB   PRO  60          3HB       PRO  60   3.539  -1.786  -1.786
  388   1HG   PRO  60          2HG       PRO  60   1.455  -0.907  -0.907
  389   2HG   PRO  60          3HG       PRO  60   2.933  -0.088  -0.088
  390   1HD   PRO  60          2HD       PRO  60   0.275   0.527   0.527
  391   2HD   PRO  60          3HD       PRO  60   1.764   1.268   1.268
  392    H    ILE  61           HN       ILE  61   1.464  -4.055  -4.055
  393    HA   ILE  61           HA       ILE  61  -1.259  -4.516  -4.516
  394    HB   ILE  61           HB       ILE  61  -1.038  -4.187  -4.187
  395   1HG1  ILE  61          2HG1      ILE  61  -1.963  -6.848  -6.848
  396   2HG1  ILE  61          3HG1      ILE  61  -2.919  -5.429  -5.429
  397   1HG2  ILE  61          2HG2      ILE  61   1.293  -5.260  -5.260
  398   2HG2  ILE  61          3HG2      ILE  61   0.430  -6.815  -6.815
  399   3HG2  ILE  61          1HG2      ILE  61   0.181  -5.594  -5.594
  400   1HD1  ILE  61          3HD1      ILE  61  -2.200  -5.719  -5.719
  401   2HD1  ILE  61          1HD1      ILE  61  -1.522  -7.293  -7.293
  402   3HD1  ILE  61          2HD1      ILE  61  -3.269  -6.989  -6.989
  403    H    LEU  62           HN       LEU  62  -1.385  -5.981  -5.981
  404    HA   LEU  62           HA       LEU  62   0.843  -7.786  -7.786
  405   1HB   LEU  62          2HB       LEU  62  -1.649  -7.338  -7.338
  406   2HB   LEU  62          3HB       LEU  62  -0.271  -8.319  -8.319
  407    HG   LEU  62           HG       LEU  62  -0.173  -5.331  -5.331
  408   1HD1  LEU  62          2HD1      LEU  62  -0.816  -6.935  -6.935
  409   2HD1  LEU  62          3HD1      LEU  62   0.328  -5.591  -5.591
  410   3HD1  LEU  62          1HD1      LEU  62  -1.289  -5.278  -5.278
  411   1HD2  LEU  62          2HD2      LEU  62   1.897  -7.270  -7.270
  412   2HD2  LEU  62          3HD2      LEU  62   2.036  -5.499  -5.499
  413   3HD2  LEU  62          1HD2      LEU  62   1.983  -6.311  -6.311
  414    H    SER  63           HN       SER  63   0.903  -9.839  -9.839
  415    HA   SER  63           HA       SER  63  -1.020 -10.824 -10.824
  416   1HB   SER  63          2HB       SER  63   1.472 -11.705 -11.705
  417   2HB   SER  63          3HB       SER  63   0.332 -13.028 -13.028
  418    HG   SER  63           HG       SER  63   1.677 -12.579 -12.579
  419    H    SER  64           HN       SER  64  -0.994 -10.612 -10.612
  420    HA   SER  64           HA       SER  64  -2.696 -12.842 -12.842
  421   1HB   SER  64          2HB       SER  64  -2.478 -10.606 -10.606
  422   2HB   SER  64          3HB       SER  64  -2.501 -12.337 -12.337
  423    HG   SER  64           HG       SER  64  -0.380 -11.362 -11.362
  424    H    GLY  65           HN       GLY  65  -3.082  -9.619  -9.619
  425   1HA   GLY  65          1HA       GLY  65  -4.979  -8.615  -8.615
  426   2HA   GLY  65          2HA       GLY  65  -5.949  -9.900  -9.900
  427    H    ASP  66           HN       ASP  66  -3.483  -7.996  -7.996
  428    HA   ASP  66           HA       ASP  66  -5.684  -7.000  -7.000
  429   1HB   ASP  66          2HB       ASP  66  -2.773  -7.639  -7.639
  430   2HB   ASP  66          3HB       ASP  66  -3.663  -6.556  -6.556
  431    H    VAL  67           HN       VAL  67  -4.595  -4.843  -4.843
  432    HA   VAL  67           HA       VAL  67  -3.828  -3.082  -3.082
  433    HB   VAL  67           HB       VAL  67  -5.261  -2.668  -2.668
  434   1HG1  VAL  67          2HG1      VAL  67  -3.620  -0.866  -0.866
  435   2HG1  VAL  67          3HG1      VAL  67  -4.157  -0.514  -0.514
  436   3HG1  VAL  67          1HG1      VAL  67  -5.263  -0.244  -0.244
  437   1HG2  VAL  67          3HG2      VAL  67  -5.959  -2.613  -2.613
  438   2HG2  VAL  67          1HG2      VAL  67  -6.924  -3.122  -3.122
  439   3HG2  VAL  67          2HG2      VAL  67  -6.733  -1.391  -1.391
  440    H    TYR  68           HN       TYR  68  -1.622  -3.044  -3.044
  441    HA   TYR  68           HA       TYR  68   0.213  -3.625  -3.625
  442   1HB   TYR  68          2HB       TYR  68   0.387  -2.891  -2.891
  443   2HB   TYR  68          3HB       TYR  68   0.284  -1.234  -1.234
  444    HD1  TYR  68           HD2      TYR  68   2.297  -4.336  -4.336
  445    HD2  TYR  68           HD1      TYR  68   2.266  -0.071  -0.071
  446    HE1  TYR  68           HE2      TYR  68   4.817  -4.284  -4.284
  447    HE2  TYR  68           HE1      TYR  68   4.786  -0.033  -0.033
  448    HH   TYR  68           HH       TYR  68   6.577  -3.056  -3.056
  449    H    SER  69           HN       SER  69   1.434  -2.532  -2.532
  450    HA   SER  69           HA       SER  69   0.007  -0.247  -0.247
  451   1HB   SER  69          2HB       SER  69   1.404  -0.738  -0.738
  452   2HB   SER  69          3HB       SER  69   0.281  -2.004  -2.004
  453    HG   SER  69           HG       SER  69   1.957  -3.269  -3.269
  454    H    GLY  70           HN       GLY  70   1.823  -0.090  -0.090
  455   1HA   GLY  70          1HA       GLY  70   3.386   1.312   1.312
  456   2HA   GLY  70          2HA       GLY  70   3.255   2.227   2.227
  457    H    GLY  71           HN       GLY  71   5.717   1.728   1.728
  458   1HA   GLY  71          1HA       GLY  71   7.670   1.480   1.480
  459   2HA   GLY  71          2HA       GLY  71   7.134  -0.187  -0.187
  460    H    SER  72           HN       SER  72   8.271  -1.552  -1.552
  461    HA   SER  72           HA       SER  72   9.169  -0.442  -0.442
  462   1HB   SER  72          2HB       SER  72  10.824  -1.239  -1.239
  463   2HB   SER  72          3HB       SER  72  10.699  -2.732  -2.732
  464    HG   SER  72           HG       SER  72  11.082  -0.574  -0.574
  465    HA   PRO  73           HA       PRO  73   6.527  -4.079  -4.079
  466   1HB   PRO  73          2HB       PRO  73   4.777  -2.928  -2.928
  467   2HB   PRO  73          3HB       PRO  73   4.469  -3.047  -3.047
  468   1HG   PRO  73          2HG       PRO  73   5.262  -0.679  -0.679
  469   2HG   PRO  73          3HG       PRO  73   4.547  -0.742  -0.742
  470   1HD   PRO  73          2HD       PRO  73   7.299  -0.233  -0.233
  471   2HD   PRO  73          3HD       PRO  73   6.606  -0.411  -0.411
  472    H    GLY  74           HN       GLY  74   8.817  -2.415  -2.415
  473   1HA   GLY  74          1HA       GLY  74   8.835  -2.716  -2.716
  474   2HA   GLY  74          2HA       GLY  74  10.203  -3.212  -3.212
  475    H    ALA  75           HN       ALA  75   7.886  -4.234  -4.234
  476    HA   ALA  75           HA       ALA  75   8.734  -6.550  -6.550
  477   1HB   ALA  75          1HB       ALA  75   7.600  -6.915  -6.915
  478   2HB   ALA  75          2HB       ALA  75   7.465  -8.232  -8.232
  479   3HB   ALA  75          3HB       ALA  75   9.068  -7.616  -7.616
  480    H    ASP  76           HN       ASP  76   5.674  -5.660  -5.660
  481    HA   ASP  76           HA       ASP  76   4.339  -6.015  -6.015
  482   1HB   ASP  76          2HB       ASP  76   3.260  -6.759  -6.759
  483   2HB   ASP  76          3HB       ASP  76   2.351  -6.870  -6.870
  484    H    ARG  77           HN       ARG  77   3.319  -4.089  -4.089
  485    HA   ARG  77           HA       ARG  77   2.161  -2.513  -2.513
  486   1HB   ARG  77          2HB       ARG  77   4.110  -1.319  -1.319
  487   2HB   ARG  77          3HB       ARG  77   3.217  -0.409  -0.409
  488   1HG   ARG  77          2HG       ARG  77   4.870  -2.701  -2.701
  489   2HG   ARG  77          3HG       ARG  77   5.751  -1.314  -1.314
  490   1HD   ARG  77          2HD       ARG  77   3.495  -0.517  -0.517
  491   2HD   ARG  77          3HD       ARG  77   4.629  -1.561  -1.561
  492    HE   ARG  77           HE       ARG  77   5.179   1.142   1.142
  493   1HH1  ARG  77           HH2      ARG  77   6.509  -1.827  -1.827
  494   2HH1  ARG  77           HH2      ARG  77   8.000  -1.091  -1.091
  495   1HH2  ARG  77           HH1      ARG  77   7.146   2.114   2.114
  496   2HH2  ARG  77           HH1      ARG  77   8.365   1.166   1.166
  497    H    VAL  78           HN       VAL  78   0.395  -1.177  -1.177
  498    HA   VAL  78           HA       VAL  78  -0.328  -1.722  -1.722
  499    HB   VAL  78           HB       VAL  78  -2.037  -2.732  -2.732
  500   1HG1  VAL  78          1HG1      VAL  78  -0.918  -2.396  -2.396
  501   2HG1  VAL  78          2HG1      VAL  78  -1.870  -0.902  -0.902
  502   3HG1  VAL  78          3HG1      VAL  78  -2.696  -2.474  -2.474
  503   1HG2  VAL  78          2HG2      VAL  78  -2.732  -0.243  -0.243
  504   2HG2  VAL  78          3HG2      VAL  78  -3.889  -1.470  -1.470
  505   3HG2  VAL  78          1HG2      VAL  78  -3.324  -0.196  -0.196
  506    H    VAL  79           HN       VAL  79  -0.896  -0.002  -0.002
  507    HA   VAL  79           HA       VAL  79  -0.581   2.644   2.644
  508    HB   VAL  79           HB       VAL  79   0.124   1.635   1.635
  509   1HG1  VAL  79          1HG1      VAL  79  -0.856   4.143   4.143
  510   2HG1  VAL  79          2HG1      VAL  79   0.894   4.391   4.391
  511   3HG1  VAL  79          3HG1      VAL  79   0.257   3.731   3.731
  512   1HG2  VAL  79          1HG2      VAL  79   1.591   1.859   1.859
  513   2HG2  VAL  79          2HG2      VAL  79   2.144   1.274   1.274
  514   3HG2  VAL  79          3HG2      VAL  79   2.265   3.003   3.003
  515    H    PHE  80           HN       PHE  80  -2.279   4.045   4.045
  516    HA   PHE  80           HA       PHE  80  -4.296   3.537   3.537
  517   1HB   PHE  80          2HB       PHE  80  -6.059   3.603   3.603
  518   2HB   PHE  80          3HB       PHE  80  -4.921   2.328   2.328
  519    HD1  PHE  80           HD2      PHE  80  -2.900   3.140   3.140
  520    HD2  PHE  80           HD1      PHE  80  -6.690   5.032   5.032
  521    HE1  PHE  80           HE2      PHE  80  -2.539   4.159   4.159
  522    HE2  PHE  80           HE1      PHE  80  -6.329   6.053   6.053
  523    HZ   PHE  80           HZ       PHE  80  -4.258   5.604   5.604
  524    H    ASN  81           HN       ASN  81  -6.209   5.406   5.406
  525    HA   ASN  81           HA       ASN  81  -4.621   7.840   7.840
  526   1HB   ASN  81          2HB       ASN  81  -7.227   7.922   7.922
  527   2HB   ASN  81          3HB       ASN  81  -5.760   8.839   8.839
  528   1HD2  ASN  81          2HD2      ASN  81  -6.131   4.966   4.966
  529   2HD2  ASN  81          1HD2      ASN  81  -6.974   5.494   5.494
  530    H    GLU  82           HN       GLU  82  -6.858   9.648   9.648
  531    HA   GLU  82           HA       GLU  82  -7.922   8.943   8.943
  532   1HB   GLU  82          2HB       GLU  82  -6.885  11.258  11.258
  533   2HB   GLU  82          3HB       GLU  82  -8.507  11.553  11.553
  534   1HG   GLU  82          2HG       GLU  82  -9.451  11.182  11.182
  535   2HG   GLU  82          3HG       GLU  82  -7.880  10.720  10.720
  536    H    ASN  83           HN       ASN  83  -8.822   7.640   7.640
  537    HA   ASN  83           HA       ASN  83 -11.578   8.576   8.576
  538   1HB   ASN  83          2HB       ASN  83 -11.254   6.671   6.671
  539   2HB   ASN  83          3HB       ASN  83 -11.361   8.409   8.409
  540   1HD2  ASN  83          2HD2      ASN  83  -7.837   6.371   6.371
  541   2HD2  ASN  83          1HD2      ASN  83  -9.320   5.628   5.628
  542    H    ASN  84           HN       ASN  84  -9.329   5.900   5.900
  543    HA   ASN  84           HA       ASN  84  -9.913   4.303   4.303
  544   1HB   ASN  84          2HB       ASN  84 -12.113   3.398   3.398
  545   2HB   ASN  84          3HB       ASN  84 -12.402   5.091   5.091
  546   1HD2  ASN  84          2HD2      ASN  84 -12.748   3.913   3.913
  547   2HD2  ASN  84          1HD2      ASN  84 -11.413   4.615   4.615
  548    H    GLN  85           HN       GLN  85  -8.943   4.567   4.567
  549    HA   GLN  85           HA       GLN  85  -9.641   1.941   1.941
  550   1HB   GLN  85          2HB       GLN  85  -8.193   4.306   4.306
  551   2HB   GLN  85          3HB       GLN  85  -8.346   2.754   2.754
  552   1HG   GLN  85          2HG       GLN  85 -10.791   2.901   2.901
  553   2HG   GLN  85          3HG       GLN  85 -10.744   4.336   4.336
  554   1HE2  GLN  85          2HE2      GLN  85  -9.393   6.469   6.469
  555   2HE2  GLN  85          1HE2      GLN  85  -9.117   6.052   6.052
  556    H    LEU  86           HN       LEU  86  -7.377   1.210   1.210
  557    HA   LEU  86           HA       LEU  86  -5.220   1.211   1.211
  558   1HB   LEU  86          2HB       LEU  86  -6.351  -0.814  -0.814
  559   2HB   LEU  86          3HB       LEU  86  -6.550  -1.180  -1.180
  560    HG   LEU  86           HG       LEU  86  -4.815  -2.523  -2.523
  561   1HD1  LEU  86          1HD1      LEU  86  -4.957  -2.450  -2.450
  562   2HD1  LEU  86          2HD1      LEU  86  -3.858  -1.051  -1.051
  563   3HD1  LEU  86          3HD1      LEU  86  -3.285  -2.628  -2.628
  564   1HD2  LEU  86          1HD2      LEU  86  -3.900  -0.011  -0.011
  565   2HD2  LEU  86          2HD2      LEU  86  -3.078  -1.572  -1.572
  566   3HD2  LEU  86          3HD2      LEU  86  -2.696  -0.573  -0.573
  567    H    ALA  87           HN       ALA  87  -3.279   1.710   1.710
  568    HA   ALA  87           HA       ALA  87  -3.176   2.277   2.277
  569   1HB   ALA  87          1HB       ALA  87  -1.872   3.136   3.136
  570   2HB   ALA  87          2HB       ALA  87  -0.628   2.153   2.153
  571   3HB   ALA  87          3HB       ALA  87  -1.386   3.516   3.516
  572    H    GLY  88           HN       GLY  88  -2.122  -0.376  -0.376
  573   1HA   GLY  88          1HA       GLY  88  -2.116  -2.358  -2.358
  574   2HA   GLY  88          2HA       GLY  88  -0.512  -1.663  -1.663
  575    H    VAL  89           HN       VAL  89   0.697  -3.341  -3.341
  576    HA   VAL  89           HA       VAL  89   0.424  -3.580  -3.580
  577    HB   VAL  89           HB       VAL  89   0.245  -5.923  -5.923
  578   1HG1  VAL  89          3HG1      VAL  89   1.587  -5.878  -5.878
  579   2HG1  VAL  89          1HG1      VAL  89  -0.016  -6.537  -6.537
  580   3HG1  VAL  89          2HG1      VAL  89   0.978  -7.319  -7.319
  581   1HG2  VAL  89          3HG2      VAL  89  -1.678  -4.587  -4.587
  582   2HG2  VAL  89          1HG2      VAL  89  -1.929  -5.145  -5.145
  583   3HG2  VAL  89          2HG2      VAL  89  -1.830  -6.327  -6.327
  584    H    ILE  90           HN       ILE  90   2.399  -2.460  -2.460
  585    HA   ILE  90           HA       ILE  90   4.654  -3.433  -3.433
  586    HB   ILE  90           HB       ILE  90   5.843  -1.596  -1.596
  587   1HG1  ILE  90          2HG1      ILE  90   3.703  -1.696  -1.696
  588   2HG1  ILE  90          3HG1      ILE  90   5.400  -1.293  -1.293
  589   1HG2  ILE  90          1HG2      ILE  90   3.890  -1.330  -1.330
  590   2HG2  ILE  90          2HG2      ILE  90   3.184  -0.328  -0.328
  591   3HG2  ILE  90          3HG2      ILE  90   4.789   0.071   0.071
  592   1HD1  ILE  90          3HD1      ILE  90   4.327   0.771   0.771
  593   2HD1  ILE  90          1HD1      ILE  90   3.115   0.488   0.488
  594   3HD1  ILE  90          2HD1      ILE  90   4.793   0.885   0.885
  595    H    THR  91           HN       THR  91   6.754  -3.918  -3.918
  596    HA   THR  91           HA       THR  91   6.529  -4.877  -4.877
  597    HB   THR  91           HB       THR  91   5.403  -6.791  -6.791
  598    HG1  THR  91           HG1      THR  91   7.483  -8.269  -8.269
  599   1HG2  THR  91          3HG2      THR  91   7.392  -6.793  -6.793
  600   2HG2  THR  91          1HG2      THR  91   6.080  -7.969  -7.969
  601   3HG2  THR  91          2HG2      THR  91   5.694  -6.275  -6.275
  602    H    HIS  92           HN       HIS  92   8.596  -5.811  -5.811
  603    HA   HIS  92           HA       HIS  92  10.738  -4.391  -4.391
  604   1HB   HIS  92          2HB       HIS  92  10.439  -5.817  -5.817
  605   2HB   HIS  92          3HB       HIS  92  12.007  -5.290  -5.290
  606    HD1  HIS  92           HD1      HIS  92  12.567  -3.267  -3.267
  607    HD2  HIS  92           HD2      HIS  92   8.606  -3.200  -3.200
  608    HE1  HIS  92           HE1      HIS  92  11.603  -1.010  -1.010
  609    HE2  HIS  92           HE2      HIS  92   9.187  -1.006  -1.006
  610    H    THR  93           HN       THR  93   9.271  -7.399  -7.399
  611    HA   THR  93           HA       THR  93  11.025  -9.374  -9.374
  612    HB   THR  93           HB       THR  93   8.914  -8.458  -8.458
  613    HG1  THR  93           HG1      THR  93   8.310 -10.754 -10.754
  614   1HG2  THR  93          2HG2      THR  93  10.927 -10.701 -10.701
  615   2HG2  THR  93          3HG2      THR  93   9.249 -10.859 -10.859
  616   3HG2  THR  93          1HG2      THR  93  10.279  -9.543  -9.543
  617    H    GLY  94           HN       GLY  94  13.205  -8.793  -8.793
  618   1HA   GLY  94          1HA       GLY  94  15.139  -7.970  -7.970
  619   2HA   GLY  94          2HA       GLY  94  14.738  -9.200  -9.200
  620    H    ALA  95           HN       ALA  95  13.012  -6.084  -6.084
  621    HA   ALA  95           HA       ALA  95  12.792  -5.485  -5.485
  622   1HB   ALA  95          1HB       ALA  95  12.530  -3.882  -3.882
  623   2HB   ALA  95          2HB       ALA  95  12.244  -3.156  -3.156
  624   3HB   ALA  95          3HB       ALA  95  11.239  -4.519  -4.519
  625    H    SER  96           HN       SER  96  15.222  -4.603  -4.603
  626    HA   SER  96           HA       SER  96  17.427  -4.515  -4.515
  627   1HB   SER  96          2HB       SER  96  16.817  -3.645  -3.645
  628   2HB   SER  96          3HB       SER  96  15.892  -2.329  -2.329
  629    HG   SER  96           HG       SER  96  17.863  -1.474  -1.474
  630    H    GLY  97           HN       GLY  97  16.274  -4.091  -4.091
  631   1HA   GLY  97          1HA       GLY  97  17.505  -2.993  -2.993
  632   2HA   GLY  97          2HA       GLY  97  17.531  -1.533  -1.533
  633    H    ASN  98           HN       ASN  98  16.095   0.017   0.017
  634    HA   ASN  98           HA       ASN  98  13.864  -0.840  -0.840
  635   1HB   ASN  98          2HB       ASN  98  15.305   1.077   1.077
  636   2HB   ASN  98          3HB       ASN  98  14.891   1.961   1.961
  637   1HD2  ASN  98          2HD2      ASN  98  11.390   1.170   1.170
  638   2HD2  ASN  98          1HD2      ASN  98  12.360  -0.005  -0.005
  639    H    ASN  99           HN       ASN  99  14.621  -0.241  -0.241
  640    HA   ASN  99           HA       ASN  99  12.525   1.315   1.315
  641   1HB   ASN  99          2HB       ASN  99  13.058   0.472   0.472
  642   2HB   ASN  99          3HB       ASN  99  14.571   0.556   0.556
  643   1HD2  ASN  99          2HD2      ASN  99  14.219  -3.138  -3.138
  644   2HD2  ASN  99          1HD2      ASN  99  14.068  -1.694  -1.694
  645    H    PHE 100           HN       PHE 100  10.450   0.668   0.668
  646    HA   PHE 100           HA       PHE 100   9.496  -1.896  -1.896
  647   1HB   PHE 100          2HB       PHE 100   8.339   0.843   0.843
  648   2HB   PHE 100          3HB       PHE 100   7.257  -0.535  -0.535
  649    HD1  PHE 100           HD2      PHE 100   7.631  -2.141  -2.141
  650    HD2  PHE 100           HD1      PHE 100   8.283   2.047   2.047
  651    HE1  PHE 100           HE2      PHE 100   7.303  -1.976  -1.976
  652    HE2  PHE 100           HE1      PHE 100   7.955   2.213   2.213
  653    HZ   PHE 100           HZ       PHE 100   7.469   0.199   0.199
  654    H    VAL 101           HN       VAL 101   7.670  -2.904  -2.904
  655    HA   VAL 101           HA       VAL 101   7.708  -2.319  -2.319
  656    HB   VAL 101           HB       VAL 101   8.644  -4.506  -4.506
  657   1HG1  VAL 101          1HG1      VAL 101   9.943  -2.302  -2.302
  658   2HG1  VAL 101          2HG1      VAL 101  10.716  -2.951  -2.951
  659   3HG1  VAL 101          3HG1      VAL 101  10.898  -3.802  -3.802
  660   1HG2  VAL 101          2HG2      VAL 101   8.913  -4.823  -4.823
  661   2HG2  VAL 101          3HG2      VAL 101   8.738  -6.049  -6.049
  662   3HG2  VAL 101          1HG2      VAL 101  10.330  -5.324  -5.324
  663    H    GLU 102           HN       GLU 102   5.813  -3.045  -3.045
  664    HA   GLU 102           HA       GLU 102   3.816  -3.911  -3.911
  665   1HB   GLU 102          2HB       GLU 102   2.902  -4.707  -4.707
  666   2HB   GLU 102          3HB       GLU 102   2.851  -3.053  -3.053
  667   1HG   GLU 102          2HG       GLU 102   4.773  -2.416  -2.416
  668   2HG   GLU 102          3HG       GLU 102   5.354  -4.063  -4.063
  669    H    CYS 103           HN       CYS 103   3.269  -5.876  -5.876
  670    HA   CYS 103           HA       CYS 103   4.913  -8.064  -8.064
  671   1HB   CYS 103          2HB       CYS 103   1.993  -8.046  -8.046
  672   2HB   CYS 103          3HB       CYS 103   3.143  -9.326  -9.326
  673    H    THR 104           HN       THR 104   3.085 -10.266 -10.266
  674    HA   THR 104           HA       THR 104   2.688  -9.924  -9.924
  675    HB   THR 104           HB       THR 104   3.263 -12.312 -12.312
  676    HG1  THR 104           HG1      THR 104   3.631 -12.110 -12.110
  677   1HG2  THR 104          3HG2      THR 104   5.082 -10.383 -10.383
  678   2HG2  THR 104          1HG2      THR 104   5.392 -12.016 -12.016
  679   3HG2  THR 104          2HG2      THR 104   5.467 -11.715 -11.715

  Start of MODEL   13
    1    H    ALA   1           HN       ALA   1  -7.660 -15.225 -15.225
    2    HA   ALA   1           HA       ALA   1  -8.736 -15.682 -15.682
    3   1HB   ALA   1          3HB       ALA   1  -6.804 -17.992 -17.992
    4   2HB   ALA   1          1HB       ALA   1  -7.306 -17.424 -17.424
    5   3HB   ALA   1          2HB       ALA   1  -8.523 -18.030 -18.030
    6    H    CYS   2           HN       CYS   2  -5.806 -15.102 -15.102
    7    HA   CYS   2           HA       CYS   2  -5.099 -13.081 -13.081
    8   1HB   CYS   2          2HB       CYS   2  -2.677 -14.582 -14.582
    9   2HB   CYS   2          3HB       CYS   2  -3.379 -13.978 -13.978
   10    H    ASP   3           HN       ASP   3  -4.388 -11.369 -11.369
   11    HA   ASP   3           HA       ASP   3  -3.399 -12.073 -12.073
   12   1HB   ASP   3          2HB       ASP   3  -5.309  -9.989  -9.989
   13   2HB   ASP   3          3HB       ASP   3  -4.178  -9.448  -9.448
   14    H    TYR   4           HN       TYR   4  -2.702 -10.782 -10.782
   15    HA   TYR   4           HA       TYR   4  -0.347  -9.389  -9.389
   16   1HB   TYR   4          2HB       TYR   4  -2.253  -8.664  -8.664
   17   2HB   TYR   4          3HB       TYR   4  -0.761  -7.804  -7.804
   18    HD1  TYR   4           HD2      TYR   4  -0.517  -6.660  -6.660
   19    HD2  TYR   4           HD1      TYR   4  -4.254  -8.007  -8.007
   20    HE1  TYR   4           HE2      TYR   4  -1.757  -5.110  -5.110
   21    HE2  TYR   4           HE1      TYR   4  -5.482  -6.452  -6.452
   22    HH   TYR   4           HH       TYR   4  -3.686  -4.239  -4.239
   23    H    THR   5           HN       THR   5   0.764 -11.454 -11.454
   24    HA   THR   5           HA       THR   5   0.949 -12.208 -12.208
   25    HB   THR   5           HB       THR   5   1.657 -13.458 -13.458
   26    HG1  THR   5           HG1      THR   5  -0.466 -13.649 -13.649
   27   1HG2  THR   5          2HG2      THR   5   3.023 -13.887 -13.887
   28   2HG2  THR   5          3HG2      THR   5   2.222 -15.357 -15.357
   29   3HG2  THR   5          1HG2      THR   5   3.436 -14.528 -14.528
   30    H    CYS   6           HN       CYS   6   2.254 -10.911 -10.911
   31    HA   CYS   6           HA       CYS   6   4.561  -9.754  -9.754
   32   1HB   CYS   6          2HB       CYS   6   3.295  -9.618  -9.618
   33   2HB   CYS   6          3HB       CYS   6   4.945  -9.065  -9.065
   34    H    GLY   7           HN       GLY   7   5.165 -12.202 -12.202
   35   1HA   GLY   7          1HA       GLY   7   6.752 -13.781 -13.781
   36   2HA   GLY   7          2HA       GLY   7   7.378 -12.896 -12.896
   37    H    SER   8           HN       SER   8   5.410 -12.882 -12.882
   38    HA   SER   8           HA       SER   8   4.644 -15.681 -15.681
   39   1HB   SER   8          2HB       SER   8   5.380 -15.780 -15.780
   40   2HB   SER   8          3HB       SER   8   6.709 -15.074 -15.074
   41    HG   SER   8           HG       SER   8   4.740 -13.622 -13.622
   42    H    ASN   9           HN       ASN   9   2.823 -13.962 -13.962
   43    HA   ASN   9           HA       ASN   9   1.056 -13.570 -13.570
   44   1HB   ASN   9          2HB       ASN   9   1.383 -11.522 -11.522
   45   2HB   ASN   9          3HB       ASN   9   0.311 -11.375 -11.375
   46   1HD2  ASN   9          1HD2      ASN   9   3.730 -12.169 -12.169
   47   2HD2  ASN   9          2HD2      ASN   9   4.421 -11.143 -11.143
   48    H    CYS  10           HN       CYS  10  -1.231 -12.703 -12.703
   49    HA   CYS  10           HA       CYS  10  -1.664 -13.700 -13.700
   50   1HB   CYS  10          2HB       CYS  10  -1.330 -15.838 -15.838
   51   2HB   CYS  10          3HB       CYS  10  -3.017 -15.536 -15.536
   52    H    TYR  11           HN       TYR  11  -2.350 -11.322 -11.322
   53    HA   TYR  11           HA       TYR  11  -5.175 -11.489 -11.489
   54   1HB   TYR  11          2HB       TYR  11  -4.432  -9.022  -9.022
   55   2HB   TYR  11          3HB       TYR  11  -4.176 -10.424 -10.424
   56    HD1  TYR  11           HD2      TYR  11  -2.242  -9.337  -9.337
   57    HD2  TYR  11           HD1      TYR  11  -2.243  -9.919  -9.919
   58    HE1  TYR  11           HE2      TYR  11   0.248  -8.832  -8.832
   59    HE2  TYR  11           HE1      TYR  11   0.247  -9.413  -9.413
   60    HH   TYR  11           HH       TYR  11   1.839  -8.023  -8.023
   61    H    SER  12           HN       SER  12  -6.077 -11.309 -11.309
   62    HA   SER  12           HA       SER  12  -5.031  -9.720  -9.720
   63   1HB   SER  12          2HB       SER  12  -7.607 -11.122 -11.122
   64   2HB   SER  12          3HB       SER  12  -7.712  -9.806  -9.806
   65    HG   SER  12           HG       SER  12  -6.193 -12.234 -12.234
   66    H    SER  13           HN       SER  13  -6.668  -7.895  -7.895
   67    HA   SER  13           HA       SER  13  -6.343  -5.680  -5.680
   68   1HB   SER  13          2HB       SER  13  -8.463  -4.919  -4.919
   69   2HB   SER  13          3HB       SER  13  -6.825  -5.048  -5.048
   70    HG   SER  13           HG       SER  13  -8.381  -7.429  -7.429
   71    H    SER  14           HN       SER  14  -8.661  -8.228  -8.228
   72    HA   SER  14           HA       SER  14 -10.627  -6.592  -6.592
   73   1HB   SER  14          2HB       SER  14 -11.243  -8.649  -8.649
   74   2HB   SER  14          3HB       SER  14 -10.309  -9.624  -9.624
   75    HG   SER  14           HG       SER  14 -12.882  -8.830  -8.830
   76    H    ASP  15           HN       ASP  15  -7.776  -8.500  -8.500
   77    HA   ASP  15           HA       ASP  15  -8.493  -8.605  -8.605
   78   1HB   ASP  15          2HB       ASP  15  -6.190  -9.463  -9.463
   79   2HB   ASP  15          3HB       ASP  15  -5.811  -9.155  -9.155
   80    H    VAL  16           HN       VAL  16  -6.330  -6.729  -6.729
   81    HA   VAL  16           HA       VAL  16  -4.882  -5.334  -5.334
   82    HB   VAL  16           HB       VAL  16  -5.824  -4.560  -4.560
   83   1HG1  VAL  16          2HG1      VAL  16  -4.409  -3.005  -3.005
   84   2HG1  VAL  16          3HG1      VAL  16  -3.403  -3.253  -3.253
   85   3HG1  VAL  16          1HG1      VAL  16  -5.017  -2.517  -2.517
   86   1HG2  VAL  16          1HG2      VAL  16  -4.405  -6.648  -6.648
   87   2HG2  VAL  16          2HG2      VAL  16  -3.747  -5.400  -5.400
   88   3HG2  VAL  16          3HG2      VAL  16  -3.101  -5.577  -5.577
   89    H    SER  17           HN       SER  17  -8.018  -4.472  -4.472
   90    HA   SER  17           HA       SER  17  -8.496  -2.073  -2.073
   91   1HB   SER  17          2HB       SER  17 -10.105  -3.428  -3.428
   92   2HB   SER  17          3HB       SER  17 -10.474  -4.394  -4.394
   93    HG   SER  17           HG       SER  17 -11.522  -1.976  -1.976
   94    H    THR  18           HN       THR  18  -9.083  -5.117  -5.117
   95    HA   THR  18           HA       THR  18 -10.037  -4.009  -4.009
   96    HB   THR  18           HB       THR  18  -8.467  -6.472  -6.472
   97    HG1  THR  18           HG1      THR  18 -10.910  -5.916  -5.916
   98   1HG2  THR  18          3HG2      THR  18  -8.544  -5.307  -5.307
   99   2HG2  THR  18          1HG2      THR  18  -9.319  -6.907  -6.907
  100   3HG2  THR  18          2HG2      THR  18  -7.625  -6.710  -6.710
  101    H    ALA  19           HN       ALA  19  -6.557  -4.567  -4.567
  102    HA   ALA  19           HA       ALA  19  -5.549  -3.493  -3.493
  103   1HB   ALA  19          3HB       ALA  19  -4.480  -3.838  -3.838
  104   2HB   ALA  19          1HB       ALA  19  -3.489  -3.119  -3.119
  105   3HB   ALA  19          2HB       ALA  19  -4.099  -4.781  -4.781
  106    H    GLN  20           HN       GLN  20  -6.462  -1.975  -1.975
  107    HA   GLN  20           HA       GLN  20  -5.427   0.514   0.514
  108   1HB   GLN  20          2HB       GLN  20  -8.005  -0.036  -0.036
  109   2HB   GLN  20          3HB       GLN  20  -6.904   1.306   1.306
  110   1HG   GLN  20          2HG       GLN  20  -5.169  -0.141  -0.141
  111   2HG   GLN  20          3HG       GLN  20  -6.009  -1.586  -1.586
  112   1HE2  GLN  20          2HE2      GLN  20  -7.900   0.562   0.562
  113   2HE2  GLN  20          1HE2      GLN  20  -7.307   1.321   1.321
  114    H    ALA  21           HN       ALA  21  -8.819  -0.689  -0.689
  115    HA   ALA  21           HA       ALA  21 -10.031   1.446   1.446
  116   1HB   ALA  21          1HB       ALA  21 -10.956  -0.867  -0.867
  117   2HB   ALA  21          2HB       ALA  21 -10.070  -1.315  -1.315
  118   3HB   ALA  21          3HB       ALA  21 -11.360  -0.090  -0.090
  119    H    ALA  22           HN       ALA  22  -7.452  -0.455  -0.455
  120    HA   ALA  22           HA       ALA  22  -7.712   0.826   0.826
  121   1HB   ALA  22          1HB       ALA  22  -6.599  -1.413  -1.413
  122   2HB   ALA  22          2HB       ALA  22  -5.213  -0.455  -0.455
  123   3HB   ALA  22          3HB       ALA  22  -5.720  -0.357  -0.357
  124    H    GLY  23           HN       GLY  23  -5.255   1.187   1.187
  125   1HA   GLY  23          1HA       GLY  23  -3.926   3.380   3.380
  126   2HA   GLY  23          2HA       GLY  23  -4.040   2.961   2.961
  127    H    TYR  24           HN       TYR  24  -6.948   3.187   3.187
  128    HA   TYR  24           HA       TYR  24  -7.110   5.948   5.948
  129   1HB   TYR  24          2HB       TYR  24  -8.383   3.548   3.548
  130   2HB   TYR  24          3HB       TYR  24  -9.582   4.264   4.264
  131    HD1  TYR  24           HD2      TYR  24 -10.696   6.388   6.388
  132    HD2  TYR  24           HD1      TYR  24  -7.920   4.479   4.479
  133    HE1  TYR  24           HE2      TYR  24 -11.543   7.808   7.808
  134    HE2  TYR  24           HE1      TYR  24  -8.776   5.907   5.907
  135    HH   TYR  24           HH       TYR  24 -11.644   7.633   7.633
  136    H    LYS  25           HN       LYS  25  -9.105   3.917   3.917
  137    HA   LYS  25           HA       LYS  25 -10.492   5.809   5.809
  138   1HB   LYS  25          2HB       LYS  25 -10.625   3.402   3.402
  139   2HB   LYS  25          3HB       LYS  25  -9.094   3.466   3.466
  140   1HG   LYS  25          2HG       LYS  25 -10.807   3.597   3.597
  141   2HG   LYS  25          3HG       LYS  25 -10.116   5.202   5.202
  142   1HD   LYS  25          2HD       LYS  25 -11.986   5.987   5.987
  143   2HD   LYS  25          3HD       LYS  25 -12.619   4.362   4.362
  144   1HE   LYS  25          2HE       LYS  25 -12.258   5.526   5.526
  145   2HE   LYS  25          3HE       LYS  25 -13.640   6.017   6.017
  146   1HZ   LYS  25          2HZ       LYS  25 -13.944   3.519   3.519
  147   2HZ   LYS  25          3HZ       LYS  25 -12.968   3.351   3.351
  148   3HZ   LYS  25          1HZ       LYS  25 -14.376   4.168   4.168
  149    H    LEU  26           HN       LEU  26  -7.197   4.780   4.780
  150    HA   LEU  26           HA       LEU  26  -6.950   6.839   6.839
  151   1HB   LEU  26          2HB       LEU  26  -5.601   4.866   4.866
  152   2HB   LEU  26          3HB       LEU  26  -4.905   5.189   5.189
  153    HG   LEU  26           HG       LEU  26  -4.231   7.470   7.470
  154   1HD1  LEU  26          3HD1      LEU  26  -5.104   6.538   6.538
  155   2HD1  LEU  26          1HD1      LEU  26  -3.987   5.161   5.161
  156   3HD1  LEU  26          2HD1      LEU  26  -3.345   6.807   6.807
  157   1HD2  LEU  26          2HD2      LEU  26  -2.913   5.075   5.075
  158   2HD2  LEU  26          3HD2      LEU  26  -2.398   6.778   6.778
  159   3HD2  LEU  26          1HD2      LEU  26  -2.058   5.789   5.789
  160    H    HIS  27           HN       HIS  27  -6.322   6.692   6.692
  161    HA   HIS  27           HA       HIS  27  -4.884   9.097   9.097
  162   1HB   HIS  27          2HB       HIS  27  -4.713   7.498   7.498
  163   2HB   HIS  27          3HB       HIS  27  -6.443   7.512   7.512
  164    HD1  HIS  27           HD1      HIS  27  -3.638  10.147  10.147
  165    HD2  HIS  27           HD2      HIS  27  -7.080   9.034   9.034
  166    HE1  HIS  27           HE1      HIS  27  -3.818  11.763  11.763
  167    HE2  HIS  27           HE2      HIS  27  -5.920  10.995  10.995
  168    H    GLU  28           HN       GLU  28  -8.377   8.288   8.288
  169    HA   GLU  28           HA       GLU  28  -9.164  10.840  10.840
  170   1HB   GLU  28          2HB       GLU  28 -11.241   9.484   9.484
  171   2HB   GLU  28          3HB       GLU  28 -11.155   9.794   9.794
  172   1HG   GLU  28          2HG       GLU  28  -9.700   7.778   7.778
  173   2HG   GLU  28          3HG       GLU  28  -9.783   7.468   7.468
  174    H    ASP  29           HN       ASP  29  -8.290   9.400   9.400
  175    HA   ASP  29           HA       ASP  29  -9.580  11.499  11.499
  176   1HB   ASP  29          2HB       ASP  29  -7.991   9.017   9.017
  177   2HB   ASP  29          3HB       ASP  29  -8.112  10.271  10.271
  178    H    GLY  30           HN       GLY  30  -6.579  10.827  10.827
  179   1HA   GLY  30          1HA       GLY  30  -4.761  12.151  12.151
  180   2HA   GLY  30          2HA       GLY  30  -5.428  13.316  13.316
  181    H    GLU  31           HN       GLU  31  -5.258   9.943   9.943
  182    HA   GLU  31           HA       GLU  31  -3.205  10.743  10.743
  183   1HB   GLU  31          2HB       GLU  31  -5.255   8.504   8.504
  184   2HB   GLU  31          3HB       GLU  31  -3.914   8.482   8.482
  185   1HG   GLU  31          2HG       GLU  31  -5.809  10.859  10.859
  186   2HG   GLU  31          3HG       GLU  31  -6.083   9.549   9.549
  187    H    THR  32           HN       THR  32  -1.797   8.618   8.618
  188    HA   THR  32           HA       THR  32  -0.932   7.302   7.302
  189    HB   THR  32           HB       THR  32   1.444   7.682   7.682
  190    HG1  THR  32           HG1      THR  32   1.468   9.391   9.391
  191   1HG2  THR  32          2HG2      THR  32  -0.067   9.382   9.382
  192   2HG2  THR  32          3HG2      THR  32   0.324  10.444  10.444
  193   3HG2  THR  32          1HG2      THR  32   1.633   9.687   9.687
  194    H    VAL  33           HN       VAL  33   0.572   5.392   5.392
  195    HA   VAL  33           HA       VAL  33  -0.394   4.108   4.108
  196    HB   VAL  33           HB       VAL  33  -0.862   2.149   2.149
  197   1HG1  VAL  33          2HG1      VAL  33  -2.330   4.152   4.152
  198   2HG1  VAL  33          3HG1      VAL  33  -1.499   4.056   4.056
  199   3HG1  VAL  33          1HG1      VAL  33  -2.441   2.668   2.668
  200   1HG2  VAL  33          1HG2      VAL  33   1.348   2.055   2.055
  201   2HG2  VAL  33          2HG2      VAL  33  -0.027   1.461   1.461
  202   3HG2  VAL  33          3HG2      VAL  33   0.647   3.078   3.078
  203    H    GLY  34           HN       GLY  34   1.172   3.203   3.203
  204   1HA   GLY  34          1HA       GLY  34   3.192   2.324   2.324
  205   2HA   GLY  34          2HA       GLY  34   3.727   2.440   2.440
  206    H    SER  35           HN       SER  35   5.796   3.285   3.285
  207    HA   SER  35           HA       SER  35   5.649   5.870   5.870
  208   1HB   SER  35          2HB       SER  35   7.298   3.897   3.897
  209   2HB   SER  35          3HB       SER  35   8.207   4.466   4.466
  210    HG   SER  35           HG       SER  35   7.583   6.643   6.643
  211    H    ASN  36           HN       ASN  36   5.761   4.501   4.501
  212    HA   ASN  36           HA       ASN  36   7.376   6.532   6.532
  213   1HB   ASN  36          2HB       ASN  36   6.031   4.046   4.046
  214   2HB   ASN  36          3HB       ASN  36   5.831   5.312   5.312
  215   1HD2  ASN  36          2HD2      ASN  36   8.890   3.600   3.600
  216   2HD2  ASN  36          1HD2      ASN  36   7.177   3.348   3.348
  217    H    SER  37           HN       SER  37   5.666   6.902   6.902
  218    HA   SER  37           HA       SER  37   3.459   8.392   8.392
  219   1HB   SER  37          2HB       SER  37   3.846  10.202  10.202
  220   2HB   SER  37          3HB       SER  37   5.253   9.967   9.967
  221    HG   SER  37           HG       SER  37   6.320   9.806   9.806
  222    H    TYR  38           HN       TYR  38   2.916   5.871   5.871
  223    HA   TYR  38           HA       TYR  38   2.039   6.034   6.034
  224   1HB   TYR  38          2HB       TYR  38   2.364   3.808   3.808
  225   2HB   TYR  38          3HB       TYR  38   1.707   3.502   3.502
  226    HD1  TYR  38           HD2      TYR  38   4.620   5.627   5.627
  227    HD2  TYR  38           HD1      TYR  38   3.273   2.164   2.164
  228    HE1  TYR  38           HE2      TYR  38   6.968   5.258   5.258
  229    HE2  TYR  38           HE1      TYR  38   5.626   1.807   1.807
  230    HH   TYR  38           HH       TYR  38   7.845   4.008   4.008
  231    HA   PRO  39           HA       PRO  39   0.780   5.088   5.088
  232   1HB   PRO  39          2HB       PRO  39  -1.221   6.016   6.016
  233   2HB   PRO  39          3HB       PRO  39  -1.138   4.361   4.361
  234   1HG   PRO  39          2HG       PRO  39  -2.911   6.547   6.547
  235   2HG   PRO  39          3HG       PRO  39  -3.089   4.820   4.820
  236   1HD   PRO  39          2HD       PRO  39  -2.207   6.739   6.739
  237   2HD   PRO  39          3HD       PRO  39  -2.274   4.999   4.999
  238    H    HIS  40           HN       HIS  40   0.634   6.652   6.652
  239    HA   HIS  40           HA       HIS  40   0.717   9.362   9.362
  240   1HB   HIS  40          2HB       HIS  40   3.068   9.865   9.865
  241   2HB   HIS  40          3HB       HIS  40   2.641   8.799   8.799
  242    HD1  HIS  40           HD1      HIS  40   4.210   8.565   8.565
  243    HD2  HIS  40           HD2      HIS  40   4.229   6.573   6.573
  244    HE1  HIS  40           HE1      HIS  40   5.985   6.741   6.741
  245    HE2  HIS  40           HE2      HIS  40   5.989   5.588   5.588
  246    H    LYS  41           HN       LYS  41   1.901  10.566  10.566
  247    HA   LYS  41           HA       LYS  41   0.879   9.606   9.606
  248   1HB   LYS  41          2HB       LYS  41   1.508  11.972  11.972
  249   2HB   LYS  41          3HB       LYS  41   3.190  11.540  11.540
  250   1HG   LYS  41          2HG       LYS  41   2.561  12.393  12.393
  251   2HG   LYS  41          3HG       LYS  41   2.443  10.659  10.659
  252   1HD   LYS  41          2HD       LYS  41   0.417  11.523  11.523
  253   2HD   LYS  41          3HD       LYS  41  -0.050  10.872  10.872
  254   1HE   LYS  41          2HE       LYS  41  -1.089  13.007  13.007
  255   2HE   LYS  41          3HE       LYS  41   0.337  13.265  13.265
  256   1HZ   LYS  41          1HZ       LYS  41   1.441  13.950  13.950
  257   2HZ   LYS  41          2HZ       LYS  41  -0.041  13.989  13.989
  258   3HZ   LYS  41          3HZ       LYS  41   0.304  14.973  14.973
  259    H    TYR  42           HN       TYR  42   1.996   8.851   8.851
  260    HA   TYR  42           HA       TYR  42   4.585   7.617   7.617
  261   1HB   TYR  42          2HB       TYR  42   3.066   5.842   5.842
  262   2HB   TYR  42          3HB       TYR  42   1.883   6.263   6.263
  263    HD1  TYR  42           HD1      TYR  42   2.728   5.983   5.983
  264    HD2  TYR  42           HD2      TYR  42   4.420   3.984   3.984
  265    HE1  TYR  42           HE1      TYR  42   3.674   4.185   4.185
  266    HE2  TYR  42           HE2      TYR  42   5.361   2.192   2.192
  267    HH   TYR  42           HH       TYR  42   5.852   1.734   1.734
  268    H    ASN  43           HN       ASN  43   1.814   8.479   8.479
  269    HA   ASN  43           HA       ASN  43   1.656   8.932   8.932
  270   1HB   ASN  43          2HB       ASN  43   4.445   9.807   9.807
  271   2HB   ASN  43          3HB       ASN  43   4.108   9.650   9.650
  272   1HD2  ASN  43          2HD2      ASN  43   1.407  12.056  12.056
  273   2HD2  ASN  43          1HD2      ASN  43   1.756  10.436  10.436
  274    H    ASN  44           HN       ASN  44   5.046   8.201   8.201
  275    HA   ASN  44           HA       ASN  44   5.294   5.622   5.622
  276   1HB   ASN  44          2HB       ASN  44   4.268   4.766   4.766
  277   2HB   ASN  44          3HB       ASN  44   2.998   5.689   5.689
  278   1HD2  ASN  44          2HD2      ASN  44   4.549   6.736   6.736
  279   2HD2  ASN  44          1HD2      ASN  44   5.142   5.418   5.418
  280    H    TYR  45           HN       TYR  45   6.645   4.987   4.987
  281    HA   TYR  45           HA       TYR  45   7.645   6.884   6.884
  282   1HB   TYR  45          2HB       TYR  45   8.729   6.859   6.859
  283   2HB   TYR  45          3HB       TYR  45   9.971   6.810   6.810
  284    HD1  TYR  45           HD1      TYR  45   7.153   8.511   8.511
  285    HD2  TYR  45           HD2      TYR  45  10.499   9.040   9.040
  286    HE1  TYR  45           HE1      TYR  45   6.980  11.034  11.034
  287    HE2  TYR  45           HE2      TYR  45  10.315  11.559  11.559
  288    HH   TYR  45           HH       TYR  45   8.357  13.165  13.165
  289    H    GLU  46           HN       GLU  46   8.679   4.236   4.236
  290    HA   GLU  46           HA       GLU  46  10.681   3.185   3.185
  291   1HB   GLU  46          2HB       GLU  46   8.524   1.692   1.692
  292   2HB   GLU  46          3HB       GLU  46  10.039   0.977   0.977
  293   1HG   GLU  46          2HG       GLU  46   9.512   2.930   2.930
  294   2HG   GLU  46          3HG       GLU  46  10.728   1.672   1.672
  295    H    GLY  47           HN       GLY  47   7.362   3.460   3.460
  296   1HA   GLY  47          1HA       GLY  47   6.918   3.117   3.117
  297   2HA   GLY  47          2HA       GLY  47   7.859   1.640   1.640
  298    H    PHE  48           HN       PHE  48   5.214   3.069   3.069
  299    HA   PHE  48           HA       PHE  48   3.956   0.437   0.437
  300   1HB   PHE  48          2HB       PHE  48   3.647   3.037   3.037
  301   2HB   PHE  48          3HB       PHE  48   2.578   1.668   1.668
  302    HD1  PHE  48           HD2      PHE  48   3.551  -0.509  -0.509
  303    HD2  PHE  48           HD1      PHE  48   5.778   3.103   3.103
  304    HE1  PHE  48           HE2      PHE  48   5.170  -1.494  -1.494
  305    HE2  PHE  48           HE1      PHE  48   7.397   2.119   2.119
  306    HZ   PHE  48           HZ       PHE  48   7.074  -0.168  -0.168
  307    H    ASP  49           HN       ASP  49   2.049   0.034   0.034
  308    HA   ASP  49           HA       ASP  49   0.989   2.224   2.224
  309   1HB   ASP  49          2HB       ASP  49  -0.224  -0.533  -0.533
  310   2HB   ASP  49          3HB       ASP  49   0.001   0.591   0.591
  311    H    PHE  50           HN       PHE  50   0.300   3.083   3.083
  312    HA   PHE  50           HA       PHE  50  -1.800   1.766   1.766
  313   1HB   PHE  50          2HB       PHE  50  -0.727   4.640   4.640
  314   2HB   PHE  50          3HB       PHE  50  -2.010   4.201   4.201
  315    HD1  PHE  50           HD1      PHE  50  -0.091   1.358   1.358
  316    HD2  PHE  50           HD2      PHE  50   0.087   5.320   5.320
  317    HE1  PHE  50           HE1      PHE  50   1.618   0.637   0.637
  318    HE2  PHE  50           HE2      PHE  50   1.796   4.600   4.600
  319    HZ   PHE  50           HZ       PHE  50   2.541   2.268   2.268
  320    H    SER  51           HN       SER  51  -3.524   1.238   1.238
  321    HA   SER  51           HA       SER  51  -4.563   3.096   3.096
  322   1HB   SER  51          2HB       SER  51  -6.401   1.471   1.471
  323   2HB   SER  51          3HB       SER  51  -4.848   0.658   0.658
  324    HG   SER  51           HG       SER  51  -6.635  -0.292  -0.292
  325    H    VAL  52           HN       VAL  52  -4.274   4.142   4.142
  326    HA   VAL  52           HA       VAL  52  -7.092   4.833   4.833
  327    HB   VAL  52           HB       VAL  52  -6.749   4.797   4.797
  328   1HG1  VAL  52          2HG1      VAL  52  -7.240   2.629   2.629
  329   2HG1  VAL  52          3HG1      VAL  52  -5.502   2.254   2.254
  330   3HG1  VAL  52          1HG1      VAL  52  -6.436   2.447   2.447
  331   1HG2  VAL  52          1HG2      VAL  52  -3.874   4.652   4.652
  332   2HG2  VAL  52          2HG2      VAL  52  -4.673   5.479   5.479
  333   3HG2  VAL  52          3HG2      VAL  52  -4.371   3.727   3.727
  334    H    SER  53           HN       SER  53  -7.384   7.007   7.007
  335    HA   SER  53           HA       SER  53  -5.455   8.782   8.782
  336   1HB   SER  53          2HB       SER  53  -8.165   9.218   9.218
  337   2HB   SER  53          3HB       SER  53  -7.166  10.544  10.544
  338    HG   SER  53           HG       SER  53  -7.861  10.187  10.187
  339    H    SER  54           HN       SER  54  -4.197  10.322  10.322
  340    HA   SER  54           HA       SER  54  -3.432   9.500   9.500
  341   1HB   SER  54          2HB       SER  54  -1.758  11.084  11.084
  342   2HB   SER  54          3HB       SER  54  -2.220  10.943  10.943
  343    HG   SER  54           HG       SER  54  -2.439  13.114  13.114
  344    HA   PRO  55           HA       PRO  55  -2.222  11.292  11.292
  345   1HB   PRO  55          2HB       PRO  55  -1.932  11.520  11.520
  346   2HB   PRO  55          3HB       PRO  55  -1.833  12.886  12.886
  347   1HG   PRO  55          2HG       PRO  55  -4.034  12.124  12.124
  348   2HG   PRO  55          3HG       PRO  55  -3.728  13.670  13.670
  349   1HD   PRO  55          2HD       PRO  55  -5.691  11.729  11.729
  350   2HD   PRO  55          3HD       PRO  55  -5.308  13.222  13.222
  351    H    TYR  56           HN       TYR  56  -0.733   9.655   9.655
  352    HA   TYR  56           HA       TYR  56  -2.294   7.231   7.231
  353   1HB   TYR  56          2HB       TYR  56   0.580   7.862   7.862
  354   2HB   TYR  56          3HB       TYR  56  -0.014   6.227   6.227
  355    HD1  TYR  56           HD1      TYR  56  -2.808   6.640   6.640
  356    HD2  TYR  56           HD2      TYR  56   1.059   7.846   7.846
  357    HE1  TYR  56           HE1      TYR  56  -3.655   6.646   6.646
  358    HE2  TYR  56           HE2      TYR  56   0.200   7.848   7.848
  359    HH   TYR  56           HH       TYR  56  -1.527   6.853   6.853
  360    H    TYR  57           HN       TYR  57  -2.423   6.546   6.546
  361    HA   TYR  57           HA       TYR  57  -0.334   7.419   7.419
  362   1HB   TYR  57          2HB       TYR  57  -3.026   5.965   5.965
  363   2HB   TYR  57          3HB       TYR  57  -2.086   6.687   6.687
  364    HD1  TYR  57           HD2      TYR  57  -1.406   9.173   9.173
  365    HD2  TYR  57           HD1      TYR  57  -4.984   7.291   7.291
  366    HE1  TYR  57           HE2      TYR  57  -2.677  11.354  11.354
  367    HE2  TYR  57           HE1      TYR  57  -6.244   9.480   9.480
  368    HH   TYR  57           HH       TYR  57  -4.603  12.435  12.435
  369    H    GLU  58           HN       GLU  58   0.907   5.975   5.975
  370    HA   GLU  58           HA       GLU  58   0.801   3.248   3.248
  371   1HB   GLU  58          2HB       GLU  58   3.164   3.076   3.076
  372   2HB   GLU  58          3HB       GLU  58   2.936   4.404   4.404
  373   1HG   GLU  58          2HG       GLU  58   4.311   5.251   5.251
  374   2HG   GLU  58          3HG       GLU  58   2.726   5.967   5.967
  375    H    TRP  59           HN       TRP  59   0.752   1.465   1.465
  376    HA   TRP  59           HA       TRP  59   0.834   1.967   1.967
  377   1HB   TRP  59          2HB       TRP  59  -1.400   2.635   2.635
  378   2HB   TRP  59          3HB       TRP  59  -1.756   1.382   1.382
  379    HD1  TRP  59           HD1      TRP  59  -2.486  -1.010  -1.010
  380    HE1  TRP  59           HE1      TRP  59  -3.093  -1.986  -1.986
  381    HE3  TRP  59           HE3      TRP  59  -0.677   2.927   2.927
  382    HZ2  TRP  59           HZ2      TRP  59  -2.755  -1.023  -1.023
  383    HZ3  TRP  59           HZ3      TRP  59  -0.855   2.830   2.830
  384    HH2  TRP  59           HH2      TRP  59  -1.851   0.942   0.942
  385    HA   PRO  60           HA       PRO  60   2.215  -2.135  -2.135
  386   1HB   PRO  60          2HB       PRO  60   2.230  -2.914  -2.914
  387   2HB   PRO  60          3HB       PRO  60   3.509  -1.957  -1.957
  388   1HG   PRO  60          2HG       PRO  60   1.362  -1.094  -1.094
  389   2HG   PRO  60          3HG       PRO  60   2.867  -0.283  -0.283
  390   1HD   PRO  60          2HD       PRO  60   0.254   0.384   0.384
  391   2HD   PRO  60          3HD       PRO  60   1.771   1.119   1.119
  392    H    ILE  61           HN       ILE  61   1.472  -4.115  -4.115
  393    HA   ILE  61           HA       ILE  61  -1.280  -4.580  -4.580
  394    HB   ILE  61           HB       ILE  61  -0.965  -4.165  -4.165
  395   1HG1  ILE  61          2HG1      ILE  61  -1.955  -6.891  -6.891
  396   2HG1  ILE  61          3HG1      ILE  61  -2.887  -5.416  -5.416
  397   1HG2  ILE  61          2HG2      ILE  61   1.336  -5.328  -5.328
  398   2HG2  ILE  61          3HG2      ILE  61   0.412  -6.837  -6.837
  399   3HG2  ILE  61          1HG2      ILE  61   0.272  -5.544  -5.544
  400   1HD1  ILE  61          2HD1      ILE  61  -2.188  -5.416  -5.416
  401   2HD1  ILE  61          3HD1      ILE  61  -1.641  -7.086  -7.086
  402   3HD1  ILE  61          1HD1      ILE  61  -3.354  -6.661  -6.661
  403    H    LEU  62           HN       LEU  62  -1.419  -6.052  -6.052
  404    HA   LEU  62           HA       LEU  62   0.753  -7.931  -7.931
  405   1HB   LEU  62          2HB       LEU  62  -1.737  -7.470  -7.470
  406   2HB   LEU  62          3HB       LEU  62  -0.379  -8.486  -8.486
  407    HG   LEU  62           HG       LEU  62  -0.195  -5.493  -5.493
  408   1HD1  LEU  62          3HD1      LEU  62  -1.413  -6.834  -6.834
  409   2HD1  LEU  62          1HD1      LEU  62   0.190  -6.336  -6.336
  410   3HD1  LEU  62          2HD1      LEU  62  -0.925  -5.124  -5.124
  411   1HD2  LEU  62          2HD2      LEU  62   1.812  -7.448  -7.448
  412   2HD2  LEU  62          3HD2      LEU  62   2.009  -5.684  -5.684
  413   3HD2  LEU  62          1HD2      LEU  62   1.858  -6.668  -6.668
  414    H    SER  63           HN       SER  63   0.760  -9.980  -9.980
  415    HA   SER  63           HA       SER  63  -1.177 -10.869 -10.869
  416   1HB   SER  63          2HB       SER  63   0.062 -12.864 -12.864
  417   2HB   SER  63          3HB       SER  63   1.259 -11.699 -11.699
  418    HG   SER  63           HG       SER  63   0.340 -13.956 -13.956
  419    H    SER  64           HN       SER  64  -1.171 -10.731 -10.731
  420    HA   SER  64           HA       SER  64  -2.914 -12.934 -12.934
  421   1HB   SER  64          2HB       SER  64  -1.696 -10.784 -10.784
  422   2HB   SER  64          3HB       SER  64  -3.179 -11.496 -11.496
  423    HG   SER  64           HG       SER  64  -2.134 -13.304 -13.304
  424    H    GLY  65           HN       GLY  65  -3.234  -9.657  -9.657
  425   1HA   GLY  65          1HA       GLY  65  -5.102  -8.610  -8.610
  426   2HA   GLY  65          2HA       GLY  65  -6.101  -9.909  -9.909
  427    H    ASP  66           HN       ASP  66  -3.668  -8.007  -8.007
  428    HA   ASP  66           HA       ASP  66  -5.897  -7.097  -7.097
  429   1HB   ASP  66          2HB       ASP  66  -3.040  -7.868  -7.868
  430   2HB   ASP  66          3HB       ASP  66  -3.775  -6.646  -6.646
  431    H    VAL  67           HN       VAL  67  -4.792  -4.980  -4.980
  432    HA   VAL  67           HA       VAL  67  -4.007  -3.153  -3.153
  433    HB   VAL  67           HB       VAL  67  -5.533  -2.814  -2.814
  434   1HG1  VAL  67          3HG1      VAL  67  -4.249  -0.656  -0.656
  435   2HG1  VAL  67          1HG1      VAL  67  -5.565  -0.350  -0.350
  436   3HG1  VAL  67          2HG1      VAL  67  -4.000  -0.976  -0.976
  437   1HG2  VAL  67          2HG2      VAL  67  -6.139  -2.776  -2.776
  438   2HG2  VAL  67          3HG2      VAL  67  -7.178  -3.175  -3.175
  439   3HG2  VAL  67          1HG2      VAL  67  -6.893  -1.474  -1.474
  440    H    TYR  68           HN       TYR  68  -1.785  -3.183  -3.183
  441    HA   TYR  68           HA       TYR  68  -0.048  -3.742  -3.742
  442   1HB   TYR  68          2HB       TYR  68   0.185  -3.070  -3.070
  443   2HB   TYR  68          3HB       TYR  68   0.236  -1.412  -1.412
  444    HD1  TYR  68           HD2      TYR  68   1.910  -4.693  -4.693
  445    HD2  TYR  68           HD1      TYR  68   2.326  -0.458  -0.458
  446    HE1  TYR  68           HE2      TYR  68   4.415  -4.891  -4.891
  447    HE2  TYR  68           HE1      TYR  68   4.831  -0.671  -0.671
  448    HH   TYR  68           HH       TYR  68   6.491  -2.007  -2.007
  449    H    SER  69           HN       SER  69   1.196  -2.545  -2.545
  450    HA   SER  69           HA       SER  69  -0.274  -0.242  -0.242
  451   1HB   SER  69          2HB       SER  69   1.140  -0.605  -0.605
  452   2HB   SER  69          3HB       SER  69   0.042  -1.913  -1.913
  453    HG   SER  69           HG       SER  69   2.578  -2.159  -2.159
  454    H    GLY  70           HN       GLY  70   1.761  -0.404  -0.404
  455   1HA   GLY  70          1HA       GLY  70   3.243   1.051   1.051
  456   2HA   GLY  70          2HA       GLY  70   3.055   2.074   2.074
  457    H    GLY  71           HN       GLY  71   5.562   1.495   1.495
  458   1HA   GLY  71          1HA       GLY  71   7.464   1.407   1.407
  459   2HA   GLY  71          2HA       GLY  71   6.970  -0.268  -0.268
  460    H    SER  72           HN       SER  72   8.115  -1.682  -1.682
  461    HA   SER  72           HA       SER  72   9.148  -0.625  -0.625
  462   1HB   SER  72          2HB       SER  72  10.490  -2.864  -2.864
  463   2HB   SER  72          3HB       SER  72  11.172  -1.847  -1.847
  464    HG   SER  72           HG       SER  72  11.105  -1.439  -1.439
  465    HA   PRO  73           HA       PRO  73   6.471  -4.247  -4.247
  466   1HB   PRO  73          2HB       PRO  73   4.712  -3.077  -3.077
  467   2HB   PRO  73          3HB       PRO  73   4.407  -3.228  -3.228
  468   1HG   PRO  73          2HG       PRO  73   5.182  -0.827  -0.827
  469   2HG   PRO  73          3HG       PRO  73   4.470  -0.923  -0.923
  470   1HD   PRO  73          2HD       PRO  73   7.217  -0.384  -0.384
  471   2HD   PRO  73          3HD       PRO  73   6.527  -0.595  -0.595
  472    H    GLY  74           HN       GLY  74   8.788  -2.604  -2.604
  473   1HA   GLY  74          1HA       GLY  74   8.805  -2.829  -2.829
  474   2HA   GLY  74          2HA       GLY  74  10.166  -3.355  -3.355
  475    H    ALA  75           HN       ALA  75   7.867  -4.311  -4.311
  476    HA   ALA  75           HA       ALA  75   8.706  -6.621  -6.621
  477   1HB   ALA  75          3HB       ALA  75   7.520  -7.033  -7.033
  478   2HB   ALA  75          1HB       ALA  75   7.399  -8.324  -8.324
  479   3HB   ALA  75          2HB       ALA  75   8.997  -7.728  -7.728
  480    H    ASP  76           HN       ASP  76   5.609  -5.859  -5.859
  481    HA   ASP  76           HA       ASP  76   4.316  -6.116  -6.116
  482   1HB   ASP  76          2HB       ASP  76   3.165  -6.861  -6.861
  483   2HB   ASP  76          3HB       ASP  76   2.313  -6.991  -6.991
  484    H    ARG  77           HN       ARG  77   3.319  -4.176  -4.176
  485    HA   ARG  77           HA       ARG  77   2.160  -2.606  -2.606
  486   1HB   ARG  77          2HB       ARG  77   4.129  -1.436  -1.436
  487   2HB   ARG  77          3HB       ARG  77   3.220  -0.503  -0.503
  488   1HG   ARG  77          2HG       ARG  77   4.768  -2.767  -2.767
  489   2HG   ARG  77          3HG       ARG  77   5.756  -1.522  -1.522
  490   1HD   ARG  77          2HD       ARG  77   3.604  -0.336  -0.336
  491   2HD   ARG  77          3HD       ARG  77   4.571  -1.439  -1.439
  492    HE   ARG  77           HE       ARG  77   5.475   1.085   1.085
  493   1HH1  ARG  77           HH2      ARG  77   6.447  -1.967  -1.967
  494   2HH1  ARG  77           HH2      ARG  77   8.027  -1.404  -1.404
  495   1HH2  ARG  77           HH1      ARG  77   7.559   1.829   1.829
  496   2HH2  ARG  77           HH1      ARG  77   8.663   0.770   0.770
  497    H    VAL  78           HN       VAL  78   0.401  -1.255  -1.255
  498    HA   VAL  78           HA       VAL  78  -0.325  -1.777  -1.777
  499    HB   VAL  78           HB       VAL  78  -1.949  -2.868  -2.868
  500   1HG1  VAL  78          1HG1      VAL  78  -1.057  -2.271  -2.271
  501   2HG1  VAL  78          2HG1      VAL  78  -1.921  -0.717  -0.717
  502   3HG1  VAL  78          3HG1      VAL  78  -2.837  -2.243  -2.243
  503   1HG2  VAL  78          3HG2      VAL  78  -2.915   0.000   0.000
  504   2HG2  VAL  78          1HG2      VAL  78  -3.115  -1.304  -1.304
  505   3HG2  VAL  78          2HG2      VAL  78  -3.979  -1.381  -1.381
  506    H    VAL  79           HN       VAL  79  -0.893  -0.041  -0.041
  507    HA   VAL  79           HA       VAL  79  -0.605   2.590   2.590
  508    HB   VAL  79           HB       VAL  79   0.140   1.640   1.640
  509   1HG1  VAL  79          1HG1      VAL  79  -0.829   4.134   4.134
  510   2HG1  VAL  79          2HG1      VAL  79   0.915   4.369   4.369
  511   3HG1  VAL  79          3HG1      VAL  79   0.326   3.764   3.764
  512   1HG2  VAL  79          1HG2      VAL  79   1.690   1.057   1.057
  513   2HG2  VAL  79          2HG2      VAL  79   2.413   2.093   2.093
  514   3HG2  VAL  79          3HG2      VAL  79   1.898   2.801   2.801
  515    H    PHE  80           HN       PHE  80  -2.246   4.069   4.069
  516    HA   PHE  80           HA       PHE  80  -4.243   3.536   3.536
  517   1HB   PHE  80          2HB       PHE  80  -6.045   3.564   3.564
  518   2HB   PHE  80          3HB       PHE  80  -4.893   2.322   2.322
  519    HD1  PHE  80           HD2      PHE  80  -2.931   3.221   3.221
  520    HD2  PHE  80           HD1      PHE  80  -6.771   4.986   4.986
  521    HE1  PHE  80           HE2      PHE  80  -2.667   4.282   4.282
  522    HE2  PHE  80           HE1      PHE  80  -6.507   6.047   6.047
  523    HZ   PHE  80           HZ       PHE  80  -4.458   5.683   5.683
  524    H    ASN  81           HN       ASN  81  -6.175   5.400   5.400
  525    HA   ASN  81           HA       ASN  81  -4.597   7.834   7.834
  526   1HB   ASN  81          2HB       ASN  81  -7.123   7.940   7.940
  527   2HB   ASN  81          3HB       ASN  81  -5.629   8.828   8.828
  528   1HD2  ASN  81          2HD2      ASN  81  -6.087   4.995   4.995
  529   2HD2  ASN  81          1HD2      ASN  81  -7.021   5.570   5.570
  530    H    GLU  82           HN       GLU  82  -6.697   9.699   9.699
  531    HA   GLU  82           HA       GLU  82  -7.965   8.927   8.927
  532   1HB   GLU  82          2HB       GLU  82  -7.078  11.088  11.088
  533   2HB   GLU  82          3HB       GLU  82  -7.503  11.516  11.516
  534   1HG   GLU  82          2HG       GLU  82  -9.815  11.829  11.829
  535   2HG   GLU  82          3HG       GLU  82  -9.666  10.959  10.959
  536    H    ASN  83           HN       ASN  83  -8.698   8.015   8.015
  537    HA   ASN  83           HA       ASN  83 -11.450   8.935   8.935
  538   1HB   ASN  83          2HB       ASN  83 -11.109   7.315   7.315
  539   2HB   ASN  83          3HB       ASN  83 -11.049   9.067   9.067
  540   1HD2  ASN  83          2HD2      ASN  83  -7.691   6.762   6.762
  541   2HD2  ASN  83          1HD2      ASN  83  -9.256   6.108   6.108
  542    H    ASN  84           HN       ASN  84  -9.296   6.221   6.221
  543    HA   ASN  84           HA       ASN  84 -10.003   4.467   4.467
  544   1HB   ASN  84          2HB       ASN  84 -12.216   3.601   3.601
  545   2HB   ASN  84          3HB       ASN  84 -12.480   5.309   5.309
  546   1HD2  ASN  84          2HD2      ASN  84 -12.526   4.361   4.361
  547   2HD2  ASN  84          1HD2      ASN  84 -11.281   5.033   5.033
  548    H    GLN  85           HN       GLN  85  -8.678   4.945   4.945
  549    HA   GLN  85           HA       GLN  85  -9.266   2.373   2.373
  550   1HB   GLN  85          2HB       GLN  85  -8.001   4.889   4.889
  551   2HB   GLN  85          3HB       GLN  85  -8.142   3.371   3.371
  552   1HG   GLN  85          2HG       GLN  85 -10.589   3.444   3.444
  553   2HG   GLN  85          3HG       GLN  85 -10.538   4.836   4.836
  554   1HE2  GLN  85          2HE2      GLN  85  -9.368   7.118   7.118
  555   2HE2  GLN  85          1HE2      GLN  85  -9.016   6.643   6.643
  556    H    LEU  86           HN       LEU  86  -7.648   0.823   0.823
  557    HA   LEU  86           HA       LEU  86  -5.239   1.391   1.391
  558   1HB   LEU  86          2HB       LEU  86  -5.327  -0.745  -0.745
  559   2HB   LEU  86          3HB       LEU  86  -6.890  -0.798  -0.798
  560    HG   LEU  86           HG       LEU  86  -4.934  -1.129  -1.129
  561   1HD1  LEU  86          1HD1      LEU  86  -3.690  -1.836  -1.836
  562   2HD1  LEU  86          2HD1      LEU  86  -4.454  -3.379  -3.379
  563   3HD1  LEU  86          3HD1      LEU  86  -3.354  -2.561  -2.561
  564   1HD2  LEU  86          3HD2      LEU  86  -7.283  -2.465  -2.465
  565   2HD2  LEU  86          1HD2      LEU  86  -6.692  -2.354  -2.354
  566   3HD2  LEU  86          2HD2      LEU  86  -6.066  -3.621  -3.621
  567    H    ALA  87           HN       ALA  87  -3.228   1.737   1.737
  568    HA   ALA  87           HA       ALA  87  -3.062   2.283   2.283
  569   1HB   ALA  87          2HB       ALA  87  -1.667   2.938   2.938
  570   2HB   ALA  87          3HB       ALA  87  -0.499   2.065   2.065
  571   3HB   ALA  87          1HB       ALA  87  -1.324   3.512   3.512
  572    H    GLY  88           HN       GLY  88  -2.038  -0.382  -0.382
  573   1HA   GLY  88          1HA       GLY  88  -2.180  -2.400  -2.400
  574   2HA   GLY  88          2HA       GLY  88  -0.560  -1.761  -1.761
  575    H    VAL  89           HN       VAL  89   0.627  -3.463  -3.463
  576    HA   VAL  89           HA       VAL  89   0.401  -3.674  -3.674
  577    HB   VAL  89           HB       VAL  89   0.266  -6.016  -6.016
  578   1HG1  VAL  89          2HG1      VAL  89   1.580  -5.943  -5.943
  579   2HG1  VAL  89          3HG1      VAL  89  -0.013  -6.641  -6.641
  580   3HG1  VAL  89          1HG1      VAL  89   1.017  -7.395  -7.395
  581   1HG2  VAL  89          2HG2      VAL  89  -1.697  -4.688  -4.688
  582   2HG2  VAL  89          3HG2      VAL  89  -1.925  -5.309  -5.309
  583   3HG2  VAL  89          1HG2      VAL  89  -1.811  -6.441  -6.441
  584    H    ILE  90           HN       ILE  90   2.359  -2.538  -2.538
  585    HA   ILE  90           HA       ILE  90   4.625  -3.458  -3.458
  586    HB   ILE  90           HB       ILE  90   5.791  -1.614  -1.614
  587   1HG1  ILE  90          2HG1      ILE  90   3.533  -1.655  -1.655
  588   2HG1  ILE  90          3HG1      ILE  90   5.251  -1.435  -1.435
  589   1HG2  ILE  90          2HG2      ILE  90   3.915  -1.359  -1.359
  590   2HG2  ILE  90          3HG2      ILE  90   3.103  -0.421  -0.421
  591   3HG2  ILE  90          1HG2      ILE  90   4.715   0.068   0.068
  592   1HD1  ILE  90          3HD1      ILE  90   4.070   0.707   0.707
  593   2HD1  ILE  90          1HD1      ILE  90   3.361   0.600   0.600
  594   3HD1  ILE  90          2HD1      ILE  90   5.116   0.829   0.829
  595    H    THR  91           HN       THR  91   6.731  -3.936  -3.936
  596    HA   THR  91           HA       THR  91   6.472  -4.968  -4.968
  597    HB   THR  91           HB       THR  91   5.506  -6.905  -6.905
  598    HG1  THR  91           HG1      THR  91   7.532  -7.328  -7.328
  599   1HG2  THR  91          1HG2      THR  91   7.560  -6.534  -6.534
  600   2HG2  THR  91          2HG2      THR  91   6.532  -7.975  -7.975
  601   3HG2  THR  91          3HG2      THR  91   5.792  -6.392  -6.392
  602    H    HIS  92           HN       HIS  92   8.505  -5.507  -5.507
  603    HA   HIS  92           HA       HIS  92  10.610  -3.994  -3.994
  604   1HB   HIS  92          2HB       HIS  92  10.270  -5.529  -5.529
  605   2HB   HIS  92          3HB       HIS  92  11.840  -4.914  -4.914
  606    HD1  HIS  92           HD1      HIS  92  12.259  -2.876  -2.876
  607    HD2  HIS  92           HD2      HIS  92   8.325  -3.016  -3.016
  608    HE1  HIS  92           HE1      HIS  92  11.149  -0.698  -0.698
  609    HE2  HIS  92           HE2      HIS  92   8.751  -0.818  -0.818
  610    H    THR  93           HN       THR  93   9.424  -7.144  -7.144
  611    HA   THR  93           HA       THR  93  11.384  -8.919  -8.919
  612    HB   THR  93           HB       THR  93   9.192  -8.214  -8.214
  613    HG1  THR  93           HG1      THR  93   9.207  -9.471  -9.471
  614   1HG2  THR  93          1HG2      THR  93  11.540  -9.992  -9.992
  615   2HG2  THR  93          2HG2      THR  93   9.936 -10.716 -10.716
  616   3HG2  THR  93          3HG2      THR  93  10.397  -9.231  -9.231
  617    H    GLY  94           HN       GLY  94  13.365  -7.564  -7.564
  618   1HA   GLY  94          1HA       GLY  94  15.332  -7.009  -7.009
  619   2HA   GLY  94          2HA       GLY  94  14.823  -7.839  -7.839
  620    H    ALA  95           HN       ALA  95  12.793  -6.507  -6.507
  621    HA   ALA  95           HA       ALA  95  12.458  -4.785  -4.785
  622   1HB   ALA  95          3HB       ALA  95  11.802  -4.117  -4.117
  623   2HB   ALA  95          1HB       ALA  95  12.900  -2.781  -2.781
  624   3HB   ALA  95          2HB       ALA  95  11.457  -3.096  -3.096
  625    H    SER  96           HN       SER  96  15.444  -5.513  -5.513
  626    HA   SER  96           HA       SER  96  17.373  -5.031  -5.031
  627   1HB   SER  96          2HB       SER  96  15.918  -3.878  -3.878
  628   2HB   SER  96          3HB       SER  96  16.383  -2.378  -2.378
  629    HG   SER  96           HG       SER  96  18.574  -4.043  -4.043
  630    H    GLY  97           HN       GLY  97  15.858  -3.733  -3.733
  631   1HA   GLY  97          1HA       GLY  97  17.980  -2.808  -2.808
  632   2HA   GLY  97          2HA       GLY  97  17.436  -1.383  -1.383
  633    H    ASN  98           HN       ASN  98  16.462  -0.171  -0.171
  634    HA   ASN  98           HA       ASN  98  14.648  -1.543  -1.543
  635   1HB   ASN  98          2HB       ASN  98  16.087   0.032   0.032
  636   2HB   ASN  98          3HB       ASN  98  15.840   1.261   1.261
  637   1HD2  ASN  98          2HD2      ASN  98  12.420   0.442   0.442
  638   2HD2  ASN  98          1HD2      ASN  98  13.300  -0.782  -0.782
  639    H    ASN  99           HN       ASN  99  14.576  -0.176  -0.176
  640    HA   ASN  99           HA       ASN  99  12.439   1.563   1.563
  641   1HB   ASN  99          2HB       ASN  99  12.241   1.079   1.079
  642   2HB   ASN  99          3HB       ASN  99  13.909   1.334   1.334
  643   1HD2  ASN  99          2HD2      ASN  99  15.029  -1.958  -1.958
  644   2HD2  ASN  99          1HD2      ASN  99  15.306  -0.451  -0.451
  645    H    PHE 100           HN       PHE 100  10.504   0.583   0.583
  646    HA   PHE 100           HA       PHE 100   9.470  -1.818  -1.818
  647   1HB   PHE 100          2HB       PHE 100   8.189   0.873   0.873
  648   2HB   PHE 100          3HB       PHE 100   7.189  -0.549  -0.549
  649    HD1  PHE 100           HD2      PHE 100   7.488  -1.809  -1.809
  650    HD2  PHE 100           HD1      PHE 100   8.719   2.199   2.199
  651    HE1  PHE 100           HE2      PHE 100   7.449  -1.390  -1.390
  652    HE2  PHE 100           HE1      PHE 100   8.679   2.617   2.617
  653    HZ   PHE 100           HZ       PHE 100   8.045   0.819   0.819
  654    H    VAL 101           HN       VAL 101   7.635  -2.848  -2.848
  655    HA   VAL 101           HA       VAL 101   7.535  -2.223  -2.223
  656    HB   VAL 101           HB       VAL 101   8.504  -4.402  -4.402
  657   1HG1  VAL 101          3HG1      VAL 101   9.675  -2.095  -2.095
  658   2HG1  VAL 101          1HG1      VAL 101  10.633  -2.754  -2.754
  659   3HG1  VAL 101          2HG1      VAL 101  10.673  -3.548  -3.548
  660   1HG2  VAL 101          1HG2      VAL 101   8.978  -4.654  -4.654
  661   2HG2  VAL 101          2HG2      VAL 101   8.837  -5.906  -5.906
  662   3HG2  VAL 101          3HG2      VAL 101  10.381  -5.053  -5.053
  663    H    GLU 102           HN       GLU 102   5.631  -3.009  -3.009
  664    HA   GLU 102           HA       GLU 102   3.730  -3.955  -3.955
  665   1HB   GLU 102          2HB       GLU 102   2.787  -4.820  -4.820
  666   2HB   GLU 102          3HB       GLU 102   2.671  -3.167  -3.167
  667   1HG   GLU 102          2HG       GLU 102   4.514  -2.443  -2.443
  668   2HG   GLU 102          3HG       GLU 102   5.188  -4.055  -4.055
  669    H    CYS 103           HN       CYS 103   3.270  -5.932  -5.932
  670    HA   CYS 103           HA       CYS 103   4.987  -8.049  -8.049
  671   1HB   CYS 103          2HB       CYS 103   2.051  -8.142  -8.142
  672   2HB   CYS 103          3HB       CYS 103   3.236  -9.385  -9.385
  673    H    THR 104           HN       THR 104   3.569 -10.389 -10.389
  674    HA   THR 104           HA       THR 104   3.036 -10.044 -10.044
  675    HB   THR 104           HB       THR 104   3.953 -12.296 -12.296
  676    HG1  THR 104           HG1      THR 104   2.942 -13.034 -13.034
  677   1HG2  THR 104          2HG2      THR 104   5.596 -10.293 -10.293
  678   2HG2  THR 104          3HG2      THR 104   5.740 -11.229 -11.229
  679   3HG2  THR 104          1HG2      THR 104   6.195 -11.968 -11.968

  Start of MODEL   14
    1    H    ALA   1           HN       ALA   1  -7.456 -14.683 -14.683
    2    HA   ALA   1           HA       ALA   1  -7.981 -15.914 -15.914
    3   1HB   ALA   1          3HB       ALA   1  -6.231 -17.808 -17.808
    4   2HB   ALA   1          1HB       ALA   1  -5.741 -17.573 -17.573
    5   3HB   ALA   1          2HB       ALA   1  -7.400 -18.089 -18.089
    6    H    CYS   2           HN       CYS   2  -4.497 -15.638 -15.638
    7    HA   CYS   2           HA       CYS   2  -4.111 -13.916 -13.916
    8   1HB   CYS   2          2HB       CYS   2  -1.677 -14.571 -14.571
    9   2HB   CYS   2          3HB       CYS   2  -2.130 -14.865 -14.865
   10    H    ASP   3           HN       ASP   3  -5.492 -12.407 -12.407
   11    HA   ASP   3           HA       ASP   3  -4.693 -11.430 -11.430
   12   1HB   ASP   3          2HB       ASP   3  -5.522  -9.716  -9.716
   13   2HB   ASP   3          3HB       ASP   3  -5.634  -9.225  -9.225
   14    H    TYR   4           HN       TYR   4  -3.099 -11.054 -11.054
   15    HA   TYR   4           HA       TYR   4  -0.898  -9.663  -9.663
   16   1HB   TYR   4          2HB       TYR   4  -2.221  -8.952  -8.952
   17   2HB   TYR   4          3HB       TYR   4  -0.848  -8.112  -8.112
   18    HD1  TYR   4           HD2      TYR   4  -1.168  -6.792  -6.792
   19    HD2  TYR   4           HD1      TYR   4  -4.449  -8.366  -8.366
   20    HE1  TYR   4           HE2      TYR   4  -2.750  -5.184  -5.184
   21    HE2  TYR   4           HE1      TYR   4  -6.022  -6.754  -6.754
   22    HH   TYR   4           HH       TYR   4  -5.061  -4.999  -4.999
   23    H    THR   5           HN       THR   5   0.830 -10.981 -10.981
   24    HA   THR   5           HA       THR   5   1.117 -12.259 -12.259
   25    HB   THR   5           HB       THR   5   1.560 -13.350 -13.350
   26    HG1  THR   5           HG1      THR   5   0.047 -13.922 -13.922
   27   1HG2  THR   5          3HG2      THR   5   3.339 -13.893 -13.893
   28   2HG2  THR   5          1HG2      THR   5   2.050 -15.052 -15.052
   29   3HG2  THR   5          2HG2      THR   5   2.831 -15.111 -15.111
   30    H    CYS   6           HN       CYS   6   2.629 -11.129 -11.129
   31    HA   CYS   6           HA       CYS   6   4.721  -9.843  -9.843
   32   1HB   CYS   6          2HB       CYS   6   3.946 -10.007 -10.007
   33   2HB   CYS   6          3HB       CYS   6   5.517  -9.382  -9.382
   34    H    GLY   7           HN       GLY   7   5.338 -12.094 -12.094
   35   1HA   GLY   7          1HA       GLY   7   7.170 -13.467 -13.467
   36   2HA   GLY   7          2HA       GLY   7   7.583 -13.108 -13.108
   37    H    SER   8           HN       SER   8   5.259 -13.741 -13.741
   38    HA   SER   8           HA       SER   8   4.326 -16.288 -16.288
   39   1HB   SER   8          2HB       SER   8   5.404 -17.689 -17.689
   40   2HB   SER   8          3HB       SER   8   6.686 -16.528 -16.528
   41    HG   SER   8           HG       SER   8   5.924 -17.165 -17.165
   42    H    ASN   9           HN       ASN   9   2.841 -14.032 -14.032
   43    HA   ASN   9           HA       ASN   9   1.624 -14.453 -14.453
   44   1HB   ASN   9          2HB       ASN   9   1.578 -11.871 -11.871
   45   2HB   ASN   9          3HB       ASN   9   0.941 -12.075 -12.075
   46   1HD2  ASN   9          2HD2      ASN   9   5.050 -12.116 -12.116
   47   2HD2  ASN   9          1HD2      ASN   9   3.945 -12.707 -12.707
   48    H    CYS  10           HN       CYS  10  -0.741 -12.900 -12.900
   49    HA   CYS  10           HA       CYS  10  -1.874 -13.451 -13.451
   50   1HB   CYS  10          2HB       CYS  10  -1.794 -15.775 -15.775
   51   2HB   CYS  10          3HB       CYS  10  -2.761 -15.310 -15.310
   52    H    TYR  11           HN       TYR  11  -2.175 -11.118 -11.118
   53    HA   TYR  11           HA       TYR  11  -4.036 -10.595 -10.595
   54   1HB   TYR  11          2HB       TYR  11  -2.848  -8.676  -8.676
   55   2HB   TYR  11          3HB       TYR  11  -3.322  -8.292  -8.292
   56    HD1  TYR  11           HD1      TYR  11  -1.938  -9.383  -9.383
   57    HD2  TYR  11           HD2      TYR  11  -0.608  -9.167  -9.167
   58    HE1  TYR  11           HE1      TYR  11   0.464  -9.714  -9.714
   59    HE2  TYR  11           HE2      TYR  11   1.790  -9.499  -9.499
   60    HH   TYR  11           HH       TYR  11   3.079  -9.071  -9.071
   61    H    SER  12           HN       SER  12  -5.412 -12.136 -12.136
   62    HA   SER  12           HA       SER  12  -6.480 -11.425 -11.425
   63   1HB   SER  12          2HB       SER  12  -8.417 -12.604 -12.604
   64   2HB   SER  12          3HB       SER  12  -7.285 -13.168 -13.168
   65    HG   SER  12           HG       SER  12  -8.246 -11.124 -11.124
   66    H    SER  13           HN       SER  13  -8.288 -10.075 -10.075
   67    HA   SER  13           HA       SER  13  -8.076  -7.488  -7.488
   68   1HB   SER  13          2HB       SER  13 -10.512  -7.293  -7.293
   69   2HB   SER  13          3HB       SER  13  -9.457  -8.228  -8.228
   70    HG   SER  13           HG       SER  13 -10.388 -10.138 -10.138
   71    H    SER  14           HN       SER  14  -9.531  -9.839  -9.839
   72    HA   SER  14           HA       SER  14 -11.019  -7.890  -7.890
   73   1HB   SER  14          2HB       SER  14 -11.755 -10.265 -10.265
   74   2HB   SER  14          3HB       SER  14 -10.319 -10.782 -10.782
   75    HG   SER  14           HG       SER  14 -11.121 -10.057 -10.057
   76    H    ASP  15           HN       ASP  15  -7.774  -9.255  -9.255
   77    HA   ASP  15           HA       ASP  15  -7.246  -8.540  -8.540
   78   1HB   ASP  15          2HB       ASP  15  -5.812  -9.832  -9.832
   79   2HB   ASP  15          3HB       ASP  15  -4.775  -8.888  -8.888
   80    H    VAL  16           HN       VAL  16  -7.210  -7.068  -7.068
   81    HA   VAL  16           HA       VAL  16  -5.201  -5.120  -5.120
   82    HB   VAL  16           HB       VAL  16  -7.284  -5.527  -5.527
   83   1HG1  VAL  16          1HG1      VAL  16  -5.886  -3.049  -3.049
   84   2HG1  VAL  16          2HG1      VAL  16  -5.578  -3.572  -3.572
   85   3HG1  VAL  16          3HG1      VAL  16  -7.249  -3.324  -3.324
   86   1HG2  VAL  16          3HG2      VAL  16  -4.440  -6.171  -6.171
   87   2HG2  VAL  16          1HG2      VAL  16  -5.647  -6.887  -6.887
   88   3HG2  VAL  16          2HG2      VAL  16  -4.800  -5.390  -5.390
   89    H    SER  17           HN       SER  17  -8.744  -4.682  -4.682
   90    HA   SER  17           HA       SER  17  -9.013  -2.191  -2.191
   91   1HB   SER  17          2HB       SER  17 -10.816  -3.695  -3.695
   92   2HB   SER  17          3HB       SER  17 -10.985  -4.426  -4.426
   93    HG   SER  17           HG       SER  17 -12.537  -2.835  -2.835
   94    H    THR  18           HN       THR  18  -9.275  -5.139  -5.139
   95    HA   THR  18           HA       THR  18  -9.773  -3.905  -3.905
   96    HB   THR  18           HB       THR  18  -8.407  -6.441  -6.441
   97    HG1  THR  18           HG1      THR  18 -10.814  -5.842  -5.842
   98   1HG2  THR  18          3HG2      THR  18  -7.895  -5.156  -5.156
   99   2HG2  THR  18          1HG2      THR  18  -8.858  -6.635  -6.635
  100   3HG2  THR  18          2HG2      THR  18  -7.286  -6.714  -6.714
  101    H    ALA  19           HN       ALA  19  -6.552  -4.491  -4.491
  102    HA   ALA  19           HA       ALA  19  -5.060  -3.429  -3.429
  103   1HB   ALA  19          3HB       ALA  19  -4.360  -4.799  -4.799
  104   2HB   ALA  19          1HB       ALA  19  -4.306  -3.232  -3.232
  105   3HB   ALA  19          2HB       ALA  19  -3.254  -3.524  -3.524
  106    H    GLN  20           HN       GLN  20  -6.548  -1.904  -1.904
  107    HA   GLN  20           HA       GLN  20  -5.445   0.602   0.602
  108   1HB   GLN  20          2HB       GLN  20  -8.148   0.139   0.139
  109   2HB   GLN  20          3HB       GLN  20  -6.964   1.376   1.376
  110   1HG   GLN  20          2HG       GLN  20  -5.481  -0.190  -0.190
  111   2HG   GLN  20          3HG       GLN  20  -6.275  -1.568  -1.568
  112   1HE2  GLN  20          2HE2      GLN  20  -8.346   0.469   0.469
  113   2HE2  GLN  20          1HE2      GLN  20  -7.451   1.305   1.305
  114    H    ALA  21           HN       ALA  21  -8.790  -0.640  -0.640
  115    HA   ALA  21           HA       ALA  21  -9.957   1.429   1.429
  116   1HB   ALA  21          1HB       ALA  21 -10.612  -1.096  -1.096
  117   2HB   ALA  21          2HB       ALA  21  -9.915  -1.201  -1.201
  118   3HB   ALA  21          3HB       ALA  21 -11.284  -0.108  -0.108
  119    H    ALA  22           HN       ALA  22  -7.188  -0.393  -0.393
  120    HA   ALA  22           HA       ALA  22  -7.299   0.880   0.880
  121   1HB   ALA  22          2HB       ALA  22  -6.251  -1.366  -1.366
  122   2HB   ALA  22          3HB       ALA  22  -4.924  -0.462  -0.462
  123   3HB   ALA  22          1HB       ALA  22  -5.235  -0.279  -0.279
  124    H    GLY  23           HN       GLY  23  -5.131   1.241   1.241
  125   1HA   GLY  23          1HA       GLY  23  -3.674   3.418   3.418
  126   2HA   GLY  23          2HA       GLY  23  -3.936   2.993   2.993
  127    H    TYR  24           HN       TYR  24  -6.762   3.275   3.275
  128    HA   TYR  24           HA       TYR  24  -6.956   6.053   6.053
  129   1HB   TYR  24          2HB       TYR  24  -8.179   3.786   3.786
  130   2HB   TYR  24          3HB       TYR  24  -9.330   4.174   4.174
  131    HD1  TYR  24           HD1      TYR  24  -7.698   5.573   5.573
  132    HD2  TYR  24           HD2      TYR  24 -11.014   5.789   5.789
  133    HE1  TYR  24           HE1      TYR  24  -8.867   7.207   7.207
  134    HE2  TYR  24           HE2      TYR  24 -12.172   7.422   7.422
  135    HH   TYR  24           HH       TYR  24 -11.774   8.861   8.861
  136    H    LYS  25           HN       LYS  25  -8.880   3.895   3.895
  137    HA   LYS  25           HA       LYS  25 -10.268   5.718   5.718
  138   1HB   LYS  25          2HB       LYS  25 -10.382   3.294   3.294
  139   2HB   LYS  25          3HB       LYS  25  -8.833   3.322   3.322
  140   1HG   LYS  25          2HG       LYS  25 -10.512   3.361   3.361
  141   2HG   LYS  25          3HG       LYS  25  -9.825   4.973   4.973
  142   1HD   LYS  25          2HD       LYS  25 -11.724   5.835   5.835
  143   2HD   LYS  25          3HD       LYS  25 -12.349   4.221   4.221
  144   1HE   LYS  25          2HE       LYS  25 -13.637   5.266   5.266
  145   2HE   LYS  25          3HE       LYS  25 -12.712   3.932   3.932
  146   1HZ   LYS  25          1HZ       LYS  25 -11.339   6.443   6.443
  147   2HZ   LYS  25          2HZ       LYS  25 -12.672   6.406   6.406
  148   3HZ   LYS  25          3HZ       LYS  25 -11.475   5.320   5.320
  149    H    LEU  26           HN       LEU  26  -6.974   4.637   4.637
  150    HA   LEU  26           HA       LEU  26  -6.707   6.621   6.621
  151   1HB   LEU  26          2HB       LEU  26  -5.354   4.637   4.637
  152   2HB   LEU  26          3HB       LEU  26  -4.656   5.065   5.065
  153    HG   LEU  26           HG       LEU  26  -3.937   7.249   7.249
  154   1HD1  LEU  26          2HD1      LEU  26  -4.990   6.379   6.379
  155   2HD1  LEU  26          3HD1      LEU  26  -3.872   4.993   4.993
  156   3HD1  LEU  26          1HD1      LEU  26  -3.238   6.643   6.643
  157   1HD2  LEU  26          1HD2      LEU  26  -2.671   4.759   4.759
  158   2HD2  LEU  26          2HD2      LEU  26  -2.088   6.439   6.439
  159   3HD2  LEU  26          3HD2      LEU  26  -1.863   5.503   5.503
  160    H    HIS  27           HN       HIS  27  -6.080   6.625   6.625
  161    HA   HIS  27           HA       HIS  27  -4.653   9.028   9.028
  162   1HB   HIS  27          2HB       HIS  27  -4.548   7.499   7.499
  163   2HB   HIS  27          3HB       HIS  27  -6.281   7.574   7.574
  164    HD1  HIS  27           HD1      HIS  27  -3.449  10.180  10.180
  165    HD2  HIS  27           HD2      HIS  27  -6.865   9.172   9.172
  166    HE1  HIS  27           HE1      HIS  27  -3.603  11.885  11.885
  167    HE2  HIS  27           HE2      HIS  27  -5.689  11.181  11.181
  168    H    GLU  28           HN       GLU  28  -8.166   8.274   8.274
  169    HA   GLU  28           HA       GLU  28  -8.942  10.862  10.862
  170   1HB   GLU  28          2HB       GLU  28 -10.941   9.343   9.343
  171   2HB   GLU  28          3HB       GLU  28 -11.002   9.918   9.918
  172   1HG   GLU  28          2HG       GLU  28  -9.412   7.980   7.980
  173   2HG   GLU  28          3HG       GLU  28  -9.686   7.359   7.359
  174    H    ASP  29           HN       ASP  29  -8.046   9.246   9.246
  175    HA   ASP  29           HA       ASP  29  -9.273  11.281  11.281
  176   1HB   ASP  29          2HB       ASP  29  -7.572   8.827   8.827
  177   2HB   ASP  29          3HB       ASP  29  -7.881   9.992   9.992
  178    H    GLY  30           HN       GLY  30  -6.341  10.733  10.733
  179   1HA   GLY  30          1HA       GLY  30  -4.496  12.015  12.015
  180   2HA   GLY  30          2HA       GLY  30  -5.162  13.166  13.166
  181    H    GLU  31           HN       GLU  31  -4.932   9.754   9.754
  182    HA   GLU  31           HA       GLU  31  -2.872  10.544  10.544
  183   1HB   GLU  31          2HB       GLU  31  -4.965   8.348   8.348
  184   2HB   GLU  31          3HB       GLU  31  -3.598   8.281   8.281
  185   1HG   GLU  31          2HG       GLU  31  -5.380  10.744  10.744
  186   2HG   GLU  31          3HG       GLU  31  -5.761   9.411   9.411
  187    H    THR  32           HN       THR  32  -1.500   8.377   8.377
  188    HA   THR  32           HA       THR  32  -0.679   7.073   7.073
  189    HB   THR  32           HB       THR  32   1.680   7.457   7.457
  190    HG1  THR  32           HG1      THR  32   1.762   9.030   9.030
  191   1HG2  THR  32          3HG2      THR  32   0.426   9.350   9.350
  192   2HG2  THR  32          1HG2      THR  32   0.188  10.101  10.101
  193   3HG2  THR  32          2HG2      THR  32   1.834   9.860   9.860
  194    H    VAL  33           HN       VAL  33   1.010   5.227   5.227
  195    HA   VAL  33           HA       VAL  33  -0.090   3.881   3.881
  196    HB   VAL  33           HB       VAL  33  -0.415   1.884   1.884
  197   1HG1  VAL  33          1HG1      VAL  33  -1.952   3.956   3.956
  198   2HG1  VAL  33          2HG1      VAL  33  -1.281   3.715   3.715
  199   3HG1  VAL  33          3HG1      VAL  33  -2.165   2.395   2.395
  200   1HG2  VAL  33          2HG2      VAL  33   1.734   1.972   1.972
  201   2HG2  VAL  33          3HG2      VAL  33   0.356   1.377   1.377
  202   3HG2  VAL  33          1HG2      VAL  33   0.942   3.043   3.043
  203    H    GLY  34           HN       GLY  34   1.454   3.059   3.059
  204   1HA   GLY  34          1HA       GLY  34   3.459   2.239   2.239
  205   2HA   GLY  34          2HA       GLY  34   4.013   2.216   2.216
  206    H    SER  35           HN       SER  35   6.074   3.135   3.135
  207    HA   SER  35           HA       SER  35   5.989   5.775   5.775
  208   1HB   SER  35          2HB       SER  35   7.994   3.608   3.608
  209   2HB   SER  35          3HB       SER  35   8.659   5.208   5.208
  210    HG   SER  35           HG       SER  35   8.758   5.233   5.233
  211    H    ASN  36           HN       ASN  36   5.881   4.286   4.286
  212    HA   ASN  36           HA       ASN  36   7.515   6.166   6.166
  213   1HB   ASN  36          2HB       ASN  36   5.947   3.748   3.748
  214   2HB   ASN  36          3HB       ASN  36   5.757   4.978   4.978
  215   1HD2  ASN  36          2HD2      ASN  36   8.596   3.173   3.173
  216   2HD2  ASN  36          1HD2      ASN  36   6.866   3.135   3.135
  217    H    SER  37           HN       SER  37   5.811   6.721   6.721
  218    HA   SER  37           HA       SER  37   3.688   8.278   8.278
  219   1HB   SER  37          2HB       SER  37   4.267  10.209  10.209
  220   2HB   SER  37          3HB       SER  37   5.851   9.527   9.527
  221    HG   SER  37           HG       SER  37   6.161   9.316   9.316
  222    H    TYR  38           HN       TYR  38   3.162   5.727   5.727
  223    HA   TYR  38           HA       TYR  38   2.187   6.047   6.047
  224   1HB   TYR  38          2HB       TYR  38   2.530   3.745   3.745
  225   2HB   TYR  38          3HB       TYR  38   1.771   3.501   3.501
  226    HD1  TYR  38           HD2      TYR  38   4.785   5.554   5.554
  227    HD2  TYR  38           HD1      TYR  38   3.247   2.111   2.111
  228    HE1  TYR  38           HE2      TYR  38   7.064   5.143   5.143
  229    HE2  TYR  38           HE1      TYR  38   5.531   1.711   1.711
  230    HH   TYR  38           HH       TYR  38   7.549   3.321   3.321
  231    HA   PRO  39           HA       PRO  39   0.881   5.129   5.129
  232   1HB   PRO  39          2HB       PRO  39  -1.132   6.126   6.126
  233   2HB   PRO  39          3HB       PRO  39  -1.075   4.460   4.460
  234   1HG   PRO  39          2HG       PRO  39  -2.781   6.668   6.668
  235   2HG   PRO  39          3HG       PRO  39  -2.991   4.942   4.942
  236   1HD   PRO  39          2HD       PRO  39  -2.028   6.807   6.807
  237   2HD   PRO  39          3HD       PRO  39  -2.129   5.067   5.067
  238    H    HIS  40           HN       HIS  40   0.858   6.674   6.674
  239    HA   HIS  40           HA       HIS  40   0.939   9.391   9.391
  240   1HB   HIS  40          2HB       HIS  40   3.289   9.875   9.875
  241   2HB   HIS  40          3HB       HIS  40   2.805   8.824   8.824
  242    HD1  HIS  40           HD1      HIS  40   4.660   8.695   8.695
  243    HD2  HIS  40           HD2      HIS  40   4.198   6.436   6.436
  244    HE1  HIS  40           HE1      HIS  40   6.379   6.813   6.813
  245    HE2  HIS  40           HE2      HIS  40   6.084   5.492   5.492
  246    H    LYS  41           HN       LYS  41   1.821  10.615  10.615
  247    HA   LYS  41           HA       LYS  41   1.006   9.589   9.589
  248   1HB   LYS  41          2HB       LYS  41   1.551  11.979  11.979
  249   2HB   LYS  41          3HB       LYS  41   3.248  11.598  11.598
  250   1HG   LYS  41          2HG       LYS  41   3.074  11.464  11.464
  251   2HG   LYS  41          3HG       LYS  41   1.497  10.701  10.701
  252   1HD   LYS  41          2HD       LYS  41   0.800  12.753  12.753
  253   2HD   LYS  41          3HD       LYS  41   0.786  13.150  13.150
  254   1HE   LYS  41          2HE       LYS  41   2.352  14.750  14.750
  255   2HE   LYS  41          3HE       LYS  41   3.482  13.529  13.529
  256   1HZ   LYS  41          2HZ       LYS  41   1.433  14.377  14.377
  257   2HZ   LYS  41          3HZ       LYS  41   2.646  15.427  15.427
  258   3HZ   LYS  41          1HZ       LYS  41   2.981  13.942  13.942
  259    H    TYR  42           HN       TYR  42   2.078   8.708   8.708
  260    HA   TYR  42           HA       TYR  42   4.729   7.593   7.593
  261   1HB   TYR  42          2HB       TYR  42   3.241   5.782   5.782
  262   2HB   TYR  42          3HB       TYR  42   2.060   6.201   6.201
  263    HD1  TYR  42           HD1      TYR  42   2.855   5.914   5.914
  264    HD2  TYR  42           HD2      TYR  42   4.691   3.992   3.992
  265    HE1  TYR  42           HE1      TYR  42   3.834   4.147   4.147
  266    HE2  TYR  42           HE2      TYR  42   5.665   2.231   2.231
  267    HH   TYR  42           HH       TYR  42   6.167   1.834   1.834
  268    H    ASN  43           HN       ASN  43   2.010   8.400   8.400
  269    HA   ASN  43           HA       ASN  43   1.919   8.870   8.870
  270   1HB   ASN  43          2HB       ASN  43   4.674   9.758   9.758
  271   2HB   ASN  43          3HB       ASN  43   4.421   9.569   9.569
  272   1HD2  ASN  43          2HD2      ASN  43   1.637  12.011  12.011
  273   2HD2  ASN  43          1HD2      ASN  43   1.973  10.406  10.406
  274    H    ASN  44           HN       ASN  44   5.349   8.084   8.084
  275    HA   ASN  44           HA       ASN  44   5.562   5.513   5.513
  276   1HB   ASN  44          2HB       ASN  44   4.671   4.717   4.717
  277   2HB   ASN  44          3HB       ASN  44   3.353   5.547   5.547
  278   1HD2  ASN  44          2HD2      ASN  44   4.964   6.880   6.880
  279   2HD2  ASN  44          1HD2      ASN  44   5.600   5.543   5.543
  280    H    TYR  45           HN       TYR  45   6.930   4.891   4.891
  281    HA   TYR  45           HA       TYR  45   8.078   6.844   6.844
  282   1HB   TYR  45          2HB       TYR  45   9.092   6.538   6.538
  283   2HB   TYR  45          3HB       TYR  45  10.356   6.515   6.515
  284    HD1  TYR  45           HD1      TYR  45   7.692   8.471   8.471
  285    HD2  TYR  45           HD2      TYR  45  10.952   8.601   8.601
  286    HE1  TYR  45           HE1      TYR  45   7.666  11.012  11.012
  287    HE2  TYR  45           HE2      TYR  45  10.916  11.141  11.141
  288    HH   TYR  45           HH       TYR  45  10.159  12.870  12.870
  289    H    GLU  46           HN       GLU  46   8.932   3.994   3.994
  290    HA   GLU  46           HA       GLU  46  10.884   2.933   2.933
  291   1HB   GLU  46          2HB       GLU  46   8.646   1.437   1.437
  292   2HB   GLU  46          3HB       GLU  46  10.153   0.710   0.710
  293   1HG   GLU  46          2HG       GLU  46  11.069   2.920   2.920
  294   2HG   GLU  46          3HG       GLU  46   9.621   2.515   2.515
  295    H    GLY  47           HN       GLY  47   7.592   3.445   3.445
  296   1HA   GLY  47          1HA       GLY  47   7.142   3.272   3.272
  297   2HA   GLY  47          2HA       GLY  47   7.998   1.743   1.743
  298    H    PHE  48           HN       PHE  48   5.433   3.184   3.184
  299    HA   PHE  48           HA       PHE  48   4.043   0.630   0.630
  300   1HB   PHE  48          2HB       PHE  48   3.798   3.205   3.205
  301   2HB   PHE  48          3HB       PHE  48   2.685   1.864   1.864
  302    HD1  PHE  48           HD2      PHE  48   3.460  -0.268  -0.268
  303    HD2  PHE  48           HD1      PHE  48   6.033   3.097   3.097
  304    HE1  PHE  48           HE2      PHE  48   5.022  -1.333  -1.333
  305    HE2  PHE  48           HE1      PHE  48   7.595   2.031   2.031
  306    HZ   PHE  48           HZ       PHE  48   7.072  -0.171  -0.171
  307    H    ASP  49           HN       ASP  49   2.087   0.343   0.343
  308    HA   ASP  49           HA       ASP  49   1.172   2.612   2.612
  309   1HB   ASP  49          2HB       ASP  49  -0.154  -0.091  -0.091
  310   2HB   ASP  49          3HB       ASP  49   0.137   1.057   1.057
  311    H    PHE  50           HN       PHE  50   0.511   3.386   3.386
  312    HA   PHE  50           HA       PHE  50  -1.686   2.138   2.138
  313   1HB   PHE  50          2HB       PHE  50  -0.484   4.966   4.966
  314   2HB   PHE  50          3HB       PHE  50  -1.783   4.520   4.520
  315    HD1  PHE  50           HD1      PHE  50   0.069   1.630   1.630
  316    HD2  PHE  50           HD2      PHE  50   0.316   5.479   5.479
  317    HE1  PHE  50           HE1      PHE  50   1.750   0.763   0.763
  318    HE2  PHE  50           HE2      PHE  50   1.996   4.611   4.611
  319    HZ   PHE  50           HZ       PHE  50   2.693   2.263   2.263
  320    H    SER  51           HN       SER  51  -3.479   1.784   1.784
  321    HA   SER  51           HA       SER  51  -4.370   3.790   3.790
  322   1HB   SER  51          2HB       SER  51  -6.267   2.259   2.259
  323   2HB   SER  51          3HB       SER  51  -4.745   1.393   1.393
  324    HG   SER  51           HG       SER  51  -6.087   1.552   1.552
  325    H    VAL  52           HN       VAL  52  -4.107   4.503   4.503
  326    HA   VAL  52           HA       VAL  52  -6.917   5.220   5.220
  327    HB   VAL  52           HB       VAL  52  -6.374   5.245   5.245
  328   1HG1  VAL  52          2HG1      VAL  52  -6.047   2.795   2.795
  329   2HG1  VAL  52          3HG1      VAL  52  -5.588   2.667   2.667
  330   3HG1  VAL  52          1HG1      VAL  52  -7.234   3.177   3.177
  331   1HG2  VAL  52          1HG2      VAL  52  -3.627   5.044   5.044
  332   2HG2  VAL  52          2HG2      VAL  52  -4.237   5.622   5.622
  333   3HG2  VAL  52          3HG2      VAL  52  -3.983   3.881   3.881
  334    H    SER  53           HN       SER  53  -7.186   7.354   7.354
  335    HA   SER  53           HA       SER  53  -5.409   9.225   9.225
  336   1HB   SER  53          2HB       SER  53  -8.129   9.347   9.347
  337   2HB   SER  53          3HB       SER  53  -7.195  10.828  10.828
  338    HG   SER  53           HG       SER  53  -6.979  10.496  10.496
  339    H    SER  54           HN       SER  54  -3.995  10.624  10.624
  340    HA   SER  54           HA       SER  54  -3.170   9.796   9.796
  341   1HB   SER  54          2HB       SER  54  -1.417  11.277  11.277
  342   2HB   SER  54          3HB       SER  54  -1.952  11.129  11.129
  343    HG   SER  54           HG       SER  54  -3.063  13.108  13.108
  344    HA   PRO  55           HA       PRO  55  -1.822  11.484  11.484
  345   1HB   PRO  55          2HB       PRO  55  -1.446  11.696  11.696
  346   2HB   PRO  55          3HB       PRO  55  -1.274  13.048  13.048
  347   1HG   PRO  55          2HG       PRO  55  -3.478  12.456  12.456
  348   2HG   PRO  55          3HG       PRO  55  -3.078  13.973  13.973
  349   1HD   PRO  55          2HD       PRO  55  -5.200  12.182  12.182
  350   2HD   PRO  55          3HD       PRO  55  -4.727  13.640  13.640
  351    H    TYR  56           HN       TYR  56  -0.453   9.728   9.728
  352    HA   TYR  56           HA       TYR  56  -2.168   7.427   7.427
  353   1HB   TYR  56          2HB       TYR  56   0.748   7.864   7.864
  354   2HB   TYR  56          3HB       TYR  56   0.044   6.272   6.272
  355    HD1  TYR  56           HD1      TYR  56  -2.718   6.910   6.910
  356    HD2  TYR  56           HD2      TYR  56   1.241   7.788   7.788
  357    HE1  TYR  56           HE1      TYR  56  -3.552   6.979   6.979
  358    HE2  TYR  56           HE2      TYR  56   0.394   7.854   7.854
  359    HH   TYR  56           HH       TYR  56  -2.070   6.531   6.531
  360    H    TYR  57           HN       TYR  57  -2.280   6.588   6.588
  361    HA   TYR  57           HA       TYR  57  -0.192   7.383   7.383
  362   1HB   TYR  57          2HB       TYR  57  -2.946   6.035   6.035
  363   2HB   TYR  57          3HB       TYR  57  -1.984   6.670   6.670
  364    HD1  TYR  57           HD2      TYR  57  -1.173   9.185   9.185
  365    HD2  TYR  57           HD1      TYR  57  -4.848   7.426   7.426
  366    HE1  TYR  57           HE2      TYR  57  -2.340  11.432  11.432
  367    HE2  TYR  57           HE1      TYR  57  -6.002   9.679   9.679
  368    HH   TYR  57           HH       TYR  57  -5.025  12.025  12.025
  369    H    GLU  58           HN       GLU  58   1.185   5.915   5.915
  370    HA   GLU  58           HA       GLU  58   0.857   3.185   3.185
  371   1HB   GLU  58          2HB       GLU  58   3.271   2.943   2.943
  372   2HB   GLU  58          3HB       GLU  58   3.005   4.150   4.150
  373   1HG   GLU  58          2HG       GLU  58   3.213   5.968   5.968
  374   2HG   GLU  58          3HG       GLU  58   3.097   4.886   4.886
  375    H    TRP  59           HN       TRP  59   0.608   1.449   1.449
  376    HA   TRP  59           HA       TRP  59   0.982   1.908   1.908
  377   1HB   TRP  59          2HB       TRP  59  -1.213   2.713   2.713
  378   2HB   TRP  59          3HB       TRP  59  -1.722   1.506   1.506
  379    HD1  TRP  59           HD1      TRP  59  -2.456  -0.901  -0.901
  380    HE1  TRP  59           HE1      TRP  59  -3.010  -1.860  -1.860
  381    HE3  TRP  59           HE3      TRP  59  -0.449   2.984   2.984
  382    HZ2  TRP  59           HZ2      TRP  59  -2.557  -0.908  -0.908
  383    HZ3  TRP  59           HZ3      TRP  59  -0.546   2.890   2.890
  384    HH2  TRP  59           HH2      TRP  59  -1.555   1.032   1.032
  385    HA   PRO  60           HA       PRO  60   2.038  -2.283  -2.283
  386   1HB   PRO  60          2HB       PRO  60   1.986  -3.121  -3.121
  387   2HB   PRO  60          3HB       PRO  60   3.330  -2.236  -2.236
  388   1HG   PRO  60          2HG       PRO  60   1.236  -1.274  -1.274
  389   2HG   PRO  60          3HG       PRO  60   2.792  -0.557  -0.557
  390   1HD   PRO  60          2HD       PRO  60   0.235   0.306   0.306
  391   2HD   PRO  60          3HD       PRO  60   1.800   0.949   0.949
  392    H    ILE  61           HN       ILE  61   1.345  -4.482  -4.482
  393    HA   ILE  61           HA       ILE  61  -1.533  -4.630  -4.630
  394    HB   ILE  61           HB       ILE  61  -1.049  -4.491  -4.491
  395   1HG1  ILE  61          2HG1      ILE  61  -1.985  -7.291  -7.291
  396   2HG1  ILE  61          3HG1      ILE  61  -2.935  -5.891  -5.891
  397   1HG2  ILE  61          1HG2      ILE  61   1.182  -5.481  -5.481
  398   2HG2  ILE  61          2HG2      ILE  61   0.496  -7.066  -7.066
  399   3HG2  ILE  61          3HG2      ILE  61   0.099  -6.323  -6.323
  400   1HD1  ILE  61          3HD1      ILE  61  -2.728  -5.108  -5.108
  401   2HD1  ILE  61          1HD1      ILE  61  -2.089  -6.732  -6.732
  402   3HD1  ILE  61          2HD1      ILE  61  -3.740  -6.544  -6.544
  403    H    LEU  62           HN       LEU  62  -1.934  -5.951  -5.951
  404    HA   LEU  62           HA       LEU  62   0.091  -7.848  -7.848
  405   1HB   LEU  62          2HB       LEU  62  -2.546  -7.002  -7.002
  406   2HB   LEU  62          3HB       LEU  62  -1.535  -8.257  -8.257
  407    HG   LEU  62           HG       LEU  62  -0.735  -5.358  -5.358
  408   1HD1  LEU  62          3HD1      LEU  62  -1.961  -6.857  -6.857
  409   2HD1  LEU  62          1HD1      LEU  62  -0.658  -5.711  -5.711
  410   3HD1  LEU  62          2HD1      LEU  62  -2.107  -5.145  -5.145
  411   1HD2  LEU  62          1HD2      LEU  62   0.877  -7.689  -7.689
  412   2HD2  LEU  62          2HD2      LEU  62   1.375  -5.982  -5.982
  413   3HD2  LEU  62          3HD2      LEU  62   0.966  -6.729  -6.729
  414    H    SER  63           HN       SER  63   0.152  -9.953  -9.953
  415    HA   SER  63           HA       SER  63  -1.590 -10.950 -10.950
  416   1HB   SER  63          2HB       SER  63  -0.531 -13.147 -13.147
  417   2HB   SER  63          3HB       SER  63   0.656 -11.866 -11.866
  418    HG   SER  63           HG       SER  63  -0.071 -13.428 -13.428
  419    H    SER  64           HN       SER  64  -2.101 -10.390 -10.390
  420    HA   SER  64           HA       SER  64  -3.942 -12.588 -12.588
  421   1HB   SER  64          2HB       SER  64  -2.663 -10.583 -10.583
  422   2HB   SER  64          3HB       SER  64  -4.249 -11.159 -11.159
  423    HG   SER  64           HG       SER  64  -3.281 -12.915 -12.915
  424    H    GLY  65           HN       GLY  65  -3.900  -9.388  -9.388
  425   1HA   GLY  65          1HA       GLY  65  -5.599  -8.156  -8.156
  426   2HA   GLY  65          2HA       GLY  65  -6.756  -9.337  -9.337
  427    H    ASP  66           HN       ASP  66  -4.266  -7.654  -7.654
  428    HA   ASP  66           HA       ASP  66  -6.491  -6.451  -6.451
  429   1HB   ASP  66          2HB       ASP  66  -3.762  -7.462  -7.462
  430   2HB   ASP  66          3HB       ASP  66  -4.594  -6.266  -6.266
  431    H    VAL  67           HN       VAL  67  -5.162  -4.501  -4.501
  432    HA   VAL  67           HA       VAL  67  -4.119  -2.767  -2.767
  433    HB   VAL  67           HB       VAL  67  -5.404  -2.262  -2.262
  434   1HG1  VAL  67          3HG1      VAL  67  -3.471  -0.621  -0.621
  435   2HG1  VAL  67          1HG1      VAL  67  -5.057   0.187   0.187
  436   3HG1  VAL  67          2HG1      VAL  67  -4.338  -0.311  -0.311
  437   1HG2  VAL  67          2HG2      VAL  67  -6.351  -2.407  -2.407
  438   2HG2  VAL  67          3HG2      VAL  67  -7.273  -2.198  -2.198
  439   3HG2  VAL  67          1HG2      VAL  67  -6.621  -0.776  -0.776
  440    H    TYR  68           HN       TYR  68  -1.936  -2.804  -2.804
  441    HA   TYR  68           HA       TYR  68  -0.148  -3.846  -3.846
  442   1HB   TYR  68          2HB       TYR  68   0.287  -2.949  -2.949
  443   2HB   TYR  68          3HB       TYR  68  -0.047  -1.318  -1.318
  444    HD1  TYR  68           HD2      TYR  68   2.113  -4.046  -4.046
  445    HD2  TYR  68           HD1      TYR  68   1.902  -0.063  -0.063
  446    HE1  TYR  68           HE2      TYR  68   4.580  -3.707  -3.707
  447    HE2  TYR  68           HE1      TYR  68   4.368   0.262   0.262
  448    HH   TYR  68           HH       TYR  68   6.033  -1.574  -1.574
  449    H    SER  69           HN       SER  69   1.657  -2.583  -2.583
  450    HA   SER  69           HA       SER  69   0.246  -0.907  -0.907
  451   1HB   SER  69          2HB       SER  69   2.313  -1.273  -1.273
  452   2HB   SER  69          3HB       SER  69   1.438  -2.738  -2.738
  453    HG   SER  69           HG       SER  69   4.032  -2.111  -2.111
  454    H    GLY  70           HN       GLY  70   3.349  -1.003  -1.003
  455   1HA   GLY  70          1HA       GLY  70   3.513   1.283   1.283
  456   2HA   GLY  70          2HA       GLY  70   3.659   1.889   1.889
  457    H    GLY  71           HN       GLY  71   5.667   1.943   1.943
  458   1HA   GLY  71          1HA       GLY  71   7.974   1.968   1.968
  459   2HA   GLY  71          2HA       GLY  71   7.869   0.737   0.737
  460    H    SER  72           HN       SER  72   8.288  -1.378  -1.378
  461    HA   SER  72           HA       SER  72   8.599  -1.875  -1.875
  462   1HB   SER  72          2HB       SER  72  10.458  -2.248  -2.248
  463   2HB   SER  72          3HB       SER  72   9.583  -3.727  -3.727
  464    HG   SER  72           HG       SER  72   9.942  -4.460  -4.460
  465    HA   PRO  73           HA       PRO  73   4.891  -4.239  -4.239
  466   1HB   PRO  73          2HB       PRO  73   3.908  -4.099  -4.099
  467   2HB   PRO  73          3HB       PRO  73   3.541  -2.912  -2.912
  468   1HG   PRO  73          2HG       PRO  73   5.372  -2.678  -2.678
  469   2HG   PRO  73          3HG       PRO  73   4.673  -1.405  -1.405
  470   1HD   PRO  73          2HD       PRO  73   7.363  -2.392  -2.392
  471   2HD   PRO  73          3HD       PRO  73   6.630  -1.201  -1.201
  472    H    GLY  74           HN       GLY  74   6.588  -4.652  -4.652
  473   1HA   GLY  74          1HA       GLY  74   7.813  -6.996  -6.996
  474   2HA   GLY  74          2HA       GLY  74   6.156  -7.520  -7.520
  475    H    ALA  75           HN       ALA  75   7.963  -4.764  -4.764
  476    HA   ALA  75           HA       ALA  75   8.453  -4.308  -4.308
  477   1HB   ALA  75          3HB       ALA  75   8.826  -7.117  -7.117
  478   2HB   ALA  75          1HB       ALA  75   7.988  -6.834  -6.834
  479   3HB   ALA  75          2HB       ALA  75   9.530  -6.014  -6.014
  480    H    ASP  76           HN       ASP  76   5.693  -6.645  -6.645
  481    HA   ASP  76           HA       ASP  76   4.375  -5.846  -5.846
  482   1HB   ASP  76          2HB       ASP  76   2.886  -6.504  -6.504
  483   2HB   ASP  76          3HB       ASP  76   2.464  -6.945  -6.945
  484    H    ARG  77           HN       ARG  77   3.189  -3.979  -3.979
  485    HA   ARG  77           HA       ARG  77   2.099  -2.429  -2.429
  486   1HB   ARG  77          2HB       ARG  77   3.953  -1.091  -1.091
  487   2HB   ARG  77          3HB       ARG  77   3.191  -0.332  -0.332
  488   1HG   ARG  77          2HG       ARG  77   4.858  -2.727  -2.727
  489   2HG   ARG  77          3HG       ARG  77   5.747  -1.354  -1.354
  490   1HD   ARG  77          2HD       ARG  77   4.008  -0.164  -0.164
  491   2HD   ARG  77          3HD       ARG  77   4.413  -1.681  -1.681
  492    HE   ARG  77           HE       ARG  77   6.224   0.559   0.559
  493   1HH1  ARG  77           HH2      ARG  77   6.045  -2.913  -2.913
  494   2HH1  ARG  77           HH2      ARG  77   7.668  -3.033  -3.033
  495   1HH2  ARG  77           HH1      ARG  77   8.366   0.401   0.401
  496   2HH2  ARG  77           HH1      ARG  77   8.996  -1.136  -1.136
  497    H    VAL  78           HN       VAL  78   0.209  -1.331  -1.331
  498    HA   VAL  78           HA       VAL  78  -0.494  -1.744  -1.744
  499    HB   VAL  78           HB       VAL  78  -2.178  -2.734  -2.734
  500   1HG1  VAL  78          2HG1      VAL  78  -1.541  -0.869  -0.869
  501   2HG1  VAL  78          3HG1      VAL  78  -2.998  -1.891  -1.891
  502   3HG1  VAL  78          1HG1      VAL  78  -1.386  -2.640  -2.640
  503   1HG2  VAL  78          3HG2      VAL  78  -2.795  -0.032  -0.032
  504   2HG2  VAL  78          1HG2      VAL  78  -3.859  -1.459  -1.459
  505   3HG2  VAL  78          2HG2      VAL  78  -3.720  -0.455  -0.455
  506    H    VAL  79           HN       VAL  79  -0.788  -0.033  -0.033
  507    HA   VAL  79           HA       VAL  79  -0.497   2.619   2.619
  508    HB   VAL  79           HB       VAL  79   0.158   1.556   1.556
  509   1HG1  VAL  79          3HG1      VAL  79  -0.739   4.108   4.108
  510   2HG1  VAL  79          1HG1      VAL  79   1.027   4.292   4.292
  511   3HG1  VAL  79          2HG1      VAL  79   0.315   3.635   3.635
  512   1HG2  VAL  79          3HG2      VAL  79   1.728   2.206   2.206
  513   2HG2  VAL  79          1HG2      VAL  79   1.993   0.955   0.955
  514   3HG2  VAL  79          2HG2      VAL  79   2.446   2.645   2.645
  515    H    PHE  80           HN       PHE  80  -2.167   4.051   4.051
  516    HA   PHE  80           HA       PHE  80  -4.205   3.593   3.593
  517   1HB   PHE  80          2HB       PHE  80  -5.957   3.710   3.710
  518   2HB   PHE  80          3HB       PHE  80  -4.852   2.406   2.406
  519    HD1  PHE  80           HD2      PHE  80  -2.805   3.153   3.153
  520    HD2  PHE  80           HD1      PHE  80  -6.531   5.170   5.170
  521    HE1  PHE  80           HE2      PHE  80  -2.402   4.166   4.166
  522    HE2  PHE  80           HE1      PHE  80  -6.128   6.181   6.181
  523    HZ   PHE  80           HZ       PHE  80  -4.068   5.667   5.667
  524    H    ASN  81           HN       ASN  81  -6.062   5.515   5.515
  525    HA   ASN  81           HA       ASN  81  -4.412   7.907   7.907
  526   1HB   ASN  81          2HB       ASN  81  -7.013   8.068   8.068
  527   2HB   ASN  81          3HB       ASN  81  -5.515   8.931   8.931
  528   1HD2  ASN  81          2HD2      ASN  81  -6.012   5.060   5.060
  529   2HD2  ASN  81          1HD2      ASN  81  -6.822   5.619   5.619
  530    H    GLU  82           HN       GLU  82  -6.670   9.740   9.740
  531    HA   GLU  82           HA       GLU  82  -7.723   9.083   9.083
  532   1HB   GLU  82          2HB       GLU  82  -6.716  11.418  11.418
  533   2HB   GLU  82          3HB       GLU  82  -8.433  11.685  11.685
  534   1HG   GLU  82          2HG       GLU  82  -7.537  10.606  10.606
  535   2HG   GLU  82          3HG       GLU  82  -7.177  12.284  12.284
  536    H    ASN  83           HN       ASN  83  -8.632   7.820   7.820
  537    HA   ASN  83           HA       ASN  83 -11.374   8.784   8.784
  538   1HB   ASN  83          2HB       ASN  83 -11.080   6.837   6.837
  539   2HB   ASN  83          3HB       ASN  83 -11.146   8.574   8.574
  540   1HD2  ASN  83          2HD2      ASN  83  -7.687   6.445   6.445
  541   2HD2  ASN  83          1HD2      ASN  83  -9.198   5.746   5.746
  542    H    ASN  84           HN       ASN  84  -9.186   6.071   6.071
  543    HA   ASN  84           HA       ASN  84  -9.822   4.522   4.522
  544   1HB   ASN  84          2HB       ASN  84 -12.041   3.651   3.651
  545   2HB   ASN  84          3HB       ASN  84 -12.293   5.342   5.342
  546   1HD2  ASN  84          2HD2      ASN  84 -12.599   4.130   4.130
  547   2HD2  ASN  84          1HD2      ASN  84 -11.265   4.818   4.818
  548    H    GLN  85           HN       GLN  85  -8.852   4.731   4.731
  549    HA   GLN  85           HA       GLN  85  -9.549   2.083   2.083
  550   1HB   GLN  85          2HB       GLN  85  -8.066   4.402   4.402
  551   2HB   GLN  85          3HB       GLN  85  -8.248   2.835   2.835
  552   1HG   GLN  85          2HG       GLN  85 -10.700   3.031   3.031
  553   2HG   GLN  85          3HG       GLN  85 -10.603   4.511   4.511
  554   1HE2  GLN  85          2HE2      GLN  85  -9.374   6.551   6.551
  555   2HE2  GLN  85          1HE2      GLN  85  -9.182   6.249   6.249
  556    H    LEU  86           HN       LEU  86  -7.292   1.287   1.287
  557    HA   LEU  86           HA       LEU  86  -5.112   1.367   1.367
  558   1HB   LEU  86          2HB       LEU  86  -6.316  -0.593  -0.593
  559   2HB   LEU  86          3HB       LEU  86  -6.470  -1.108  -1.108
  560    HG   LEU  86           HG       LEU  86  -4.740  -2.259  -2.259
  561   1HD1  LEU  86          2HD1      LEU  86  -4.979  -2.737  -2.737
  562   2HD1  LEU  86          3HD1      LEU  86  -3.961  -1.333  -1.333
  563   3HD1  LEU  86          1HD1      LEU  86  -3.265  -2.716  -2.716
  564   1HD2  LEU  86          2HD2      LEU  86  -3.794   0.169   0.169
  565   2HD2  LEU  86          3HD2      LEU  86  -2.742  -1.266  -1.266
  566   3HD2  LEU  86          1HD2      LEU  86  -2.812  -0.185  -0.185
  567    H    ALA  87           HN       ALA  87  -3.174   1.727   1.727
  568    HA   ALA  87           HA       ALA  87  -3.130   2.078   2.078
  569   1HB   ALA  87          2HB       ALA  87  -1.704   3.006   3.006
  570   2HB   ALA  87          3HB       ALA  87  -0.527   2.020   2.020
  571   3HB   ALA  87          1HB       ALA  87  -1.359   3.371   3.371
  572    H    GLY  88           HN       GLY  88  -2.172  -0.454  -0.454
  573   1HA   GLY  88          1HA       GLY  88  -2.251  -2.577  -2.577
  574   2HA   GLY  88          2HA       GLY  88  -0.650  -1.932  -1.932
  575    H    VAL  89           HN       VAL  89   0.495  -3.672  -3.672
  576    HA   VAL  89           HA       VAL  89   0.413  -3.621  -3.621
  577    HB   VAL  89           HB       VAL  89   0.113  -6.048  -6.048
  578   1HG1  VAL  89          1HG1      VAL  89   1.786  -5.922  -5.922
  579   2HG1  VAL  89          2HG1      VAL  89   0.272  -6.616  -6.616
  580   3HG1  VAL  89          3HG1      VAL  89   1.105  -7.393  -7.393
  581   1HG2  VAL  89          2HG2      VAL  89  -1.521  -4.811  -4.811
  582   2HG2  VAL  89          3HG2      VAL  89  -2.006  -5.159  -5.159
  583   3HG2  VAL  89          1HG2      VAL  89  -1.750  -6.495  -6.495
  584    H    ILE  90           HN       ILE  90   2.366  -2.467  -2.467
  585    HA   ILE  90           HA       ILE  90   4.586  -3.471  -3.471
  586    HB   ILE  90           HB       ILE  90   5.767  -1.560  -1.560
  587   1HG1  ILE  90          2HG1      ILE  90   3.609  -1.496  -1.496
  588   2HG1  ILE  90          3HG1      ILE  90   5.338  -1.266  -1.266
  589   1HG2  ILE  90          1HG2      ILE  90   3.709  -1.446  -1.446
  590   2HG2  ILE  90          2HG2      ILE  90   3.092  -0.337  -0.337
  591   3HG2  ILE  90          3HG2      ILE  90   4.656  -0.012  -0.012
  592   1HD1  ILE  90          2HD1      ILE  90   4.268   0.807   0.807
  593   2HD1  ILE  90          3HD1      ILE  90   3.342   0.748   0.748
  594   3HD1  ILE  90          1HD1      ILE  90   5.107   0.979   0.979
  595    H    THR  91           HN       THR  91   6.762  -3.750  -3.750
  596    HA   THR  91           HA       THR  91   6.581  -4.658  -4.658
  597    HB   THR  91           HB       THR  91   5.687  -6.699  -6.699
  598    HG1  THR  91           HG1      THR  91   8.197  -7.573  -7.573
  599   1HG2  THR  91          1HG2      THR  91   7.477  -6.478  -6.478
  600   2HG2  THR  91          2HG2      THR  91   6.326  -7.792  -7.792
  601   3HG2  THR  91          3HG2      THR  91   5.728  -6.147  -6.147
  602    H    HIS  92           HN       HIS  92   8.595  -4.834  -4.834
  603    HA   HIS  92           HA       HIS  92  10.658  -3.487  -3.487
  604   1HB   HIS  92          2HB       HIS  92  10.253  -4.569  -4.569
  605   2HB   HIS  92          3HB       HIS  92  11.895  -4.255  -4.255
  606    HD1  HIS  92           HD1      HIS  92  12.513  -2.117  -2.117
  607    HD2  HIS  92           HD2      HIS  92   8.723  -1.922  -1.922
  608    HE1  HIS  92           HE1      HIS  92  11.714   0.290   0.290
  609    HE2  HIS  92           HE2      HIS  92   9.403   0.361   0.361
  610    H    THR  93           HN       THR  93   9.660  -6.159  -6.159
  611    HA   THR  93           HA       THR  93  11.540  -8.157  -8.157
  612    HB   THR  93           HB       THR  93   9.510  -7.468  -7.468
  613    HG1  THR  93           HG1      THR  93  10.217  -9.875  -9.875
  614   1HG2  THR  93          2HG2      THR  93  11.797  -9.444  -9.444
  615   2HG2  THR  93          3HG2      THR  93  10.183  -9.882  -9.882
  616   3HG2  THR  93          1HG2      THR  93  11.020  -8.448  -8.448
  617    H    GLY  94           HN       GLY  94  13.594  -7.083  -7.083
  618   1HA   GLY  94          1HA       GLY  94  15.509  -6.155  -6.155
  619   2HA   GLY  94          2HA       GLY  94  15.359  -7.448  -7.448
  620    H    ALA  95           HN       ALA  95  13.149  -4.620  -4.620
  621    HA   ALA  95           HA       ALA  95  13.336  -4.076  -4.076
  622   1HB   ALA  95          3HB       ALA  95  11.310  -3.689  -3.689
  623   2HB   ALA  95          1HB       ALA  95  12.177  -2.441  -2.441
  624   3HB   ALA  95          2HB       ALA  95  11.847  -2.195  -2.195
  625    H    SER  96           HN       SER  96  15.534  -3.581  -3.581
  626    HA   SER  96           HA       SER  96  17.560  -2.598  -2.598
  627   1HB   SER  96          2HB       SER  96  16.394  -1.254  -1.254
  628   2HB   SER  96          3HB       SER  96  15.807  -0.160  -0.160
  629    HG   SER  96           HG       SER  96  17.650   0.887   0.887
  630    H    GLY  97           HN       GLY  97  15.914  -3.032  -3.032
  631   1HA   GLY  97          1HA       GLY  97  16.598  -2.571  -2.571
  632   2HA   GLY  97          2HA       GLY  97  17.202  -1.005  -1.005
  633    H    ASN  98           HN       ASN  98  15.775   0.804   0.804
  634    HA   ASN  98           HA       ASN  98  13.324   0.384   0.384
  635   1HB   ASN  98          2HB       ASN  98  15.165   2.321   2.321
  636   2HB   ASN  98          3HB       ASN  98  14.261   3.093   3.093
  637   1HD2  ASN  98          2HD2      ASN  98  11.153   2.649   2.649
  638   2HD2  ASN  98          1HD2      ASN  98  11.737   1.821   1.821
  639    H    ASN  99           HN       ASN  99  13.983  -0.263  -0.263
  640    HA   ASN  99           HA       ASN  99  12.307   1.582   1.582
  641   1HB   ASN  99          2HB       ASN  99  14.146  -0.656  -0.656
  642   2HB   ASN  99          3HB       ASN  99  12.731  -0.601  -0.601
  643   1HD2  ASN  99          2HD2      ASN  99  15.153   1.447   1.447
  644   2HD2  ASN  99          1HD2      ASN  99  14.806  -0.208  -0.208
  645    H    PHE 100           HN       PHE 100  10.441   0.627   0.627
  646    HA   PHE 100           HA       PHE 100   9.152  -1.593  -1.593
  647   1HB   PHE 100          2HB       PHE 100   8.172   1.130   1.130
  648   2HB   PHE 100          3HB       PHE 100   7.026  -0.185  -0.185
  649    HD1  PHE 100           HD2      PHE 100   7.457  -1.481  -1.481
  650    HD2  PHE 100           HD1      PHE 100   8.139   2.622   2.622
  651    HE1  PHE 100           HE2      PHE 100   7.198  -0.937  -0.937
  652    HE2  PHE 100           HE1      PHE 100   7.880   3.166   3.166
  653    HZ   PHE 100           HZ       PHE 100   7.412   1.380   1.380
  654    H    VAL 101           HN       VAL 101   7.489  -2.753  -2.753
  655    HA   VAL 101           HA       VAL 101   7.489  -2.323  -2.323
  656    HB   VAL 101           HB       VAL 101   8.502  -4.522  -4.522
  657   1HG1  VAL 101          1HG1      VAL 101   9.698  -2.258  -2.258
  658   2HG1  VAL 101          2HG1      VAL 101  10.526  -2.772  -2.772
  659   3HG1  VAL 101          3HG1      VAL 101  10.719  -3.716  -3.716
  660   1HG2  VAL 101          3HG2      VAL 101   8.671  -4.715  -4.715
  661   2HG2  VAL 101          1HG2      VAL 101   8.855  -5.978  -5.978
  662   3HG2  VAL 101          2HG2      VAL 101  10.253  -4.979  -4.979
  663    H    GLU 102           HN       GLU 102   5.599  -3.131  -3.131
  664    HA   GLU 102           HA       GLU 102   3.669  -4.020  -4.020
  665   1HB   GLU 102          2HB       GLU 102   3.414  -4.849  -4.849
  666   2HB   GLU 102          3HB       GLU 102   2.279  -3.987  -3.987
  667   1HG   GLU 102          2HG       GLU 102   4.067  -2.031  -2.031
  668   2HG   GLU 102          3HG       GLU 102   4.665  -2.892  -2.892
  669    H    CYS 103           HN       CYS 103   3.278  -5.968  -5.968
  670    HA   CYS 103           HA       CYS 103   4.976  -8.100  -8.100
  671   1HB   CYS 103          2HB       CYS 103   2.085  -8.109  -8.109
  672   2HB   CYS 103          3HB       CYS 103   3.227  -9.410  -9.410
  673    H    THR 104           HN       THR 104   3.540 -10.446 -10.446
  674    HA   THR 104           HA       THR 104   2.729 -10.131 -10.131
  675    HB   THR 104           HB       THR 104   3.752 -12.394 -12.394
  676    HG1  THR 104           HG1      THR 104   3.694 -13.361 -13.361
  677   1HG2  THR 104          3HG2      THR 104   5.531 -10.344 -10.344
  678   2HG2  THR 104          1HG2      THR 104   6.163 -11.827 -11.827
  679   3HG2  THR 104          2HG2      THR 104   5.366 -10.588 -10.588

  Start of MODEL   15
    1    H    ALA   1           HN       ALA   1  -7.993 -16.638 -16.638
    2    HA   ALA   1           HA       ALA   1  -9.133 -14.469 -14.469
    3   1HB   ALA   1          2HB       ALA   1 -10.677 -14.894 -14.894
    4   2HB   ALA   1          3HB       ALA   1  -9.402 -13.913 -13.913
    5   3HB   ALA   1          1HB       ALA   1 -10.323 -13.262 -13.262
    6    H    CYS   2           HN       CYS   2  -6.948 -14.365 -14.365
    7    HA   CYS   2           HA       CYS   2  -5.294 -12.859 -12.859
    8   1HB   CYS   2          2HB       CYS   2  -3.621 -15.035 -15.035
    9   2HB   CYS   2          3HB       CYS   2  -3.853 -14.363 -14.363
   10    H    ASP   3           HN       ASP   3  -4.350 -11.359 -11.359
   11    HA   ASP   3           HA       ASP   3  -3.720 -12.254 -12.254
   12   1HB   ASP   3          2HB       ASP   3  -5.525 -10.037 -10.037
   13   2HB   ASP   3          3HB       ASP   3  -4.383  -9.602  -9.602
   14    H    TYR   4           HN       TYR   4  -2.844 -10.842 -10.842
   15    HA   TYR   4           HA       TYR   4  -0.482  -9.600  -9.600
   16   1HB   TYR   4          2HB       TYR   4  -2.245  -8.682  -8.682
   17   2HB   TYR   4          3HB       TYR   4  -0.745  -7.895  -7.895
   18    HD1  TYR   4           HD2      TYR   4  -0.603  -6.907  -6.907
   19    HD2  TYR   4           HD1      TYR   4  -4.279  -7.997  -7.997
   20    HE1  TYR   4           HE2      TYR   4  -1.883  -5.404  -5.404
   21    HE2  TYR   4           HE1      TYR   4  -5.547  -6.491  -6.491
   22    HH   TYR   4           HH       TYR   4  -4.934  -5.643  -5.643
   23    H    THR   5           HN       THR   5   0.835 -11.413 -11.413
   24    HA   THR   5           HA       THR   5   0.982 -12.186 -12.186
   25    HB   THR   5           HB       THR   5   1.854 -13.487 -13.487
   26    HG1  THR   5           HG1      THR   5  -0.437 -13.448 -13.448
   27   1HG2  THR   5          1HG2      THR   5   2.970 -13.877 -13.877
   28   2HG2  THR   5          2HG2      THR   5   1.933 -15.274 -15.274
   29   3HG2  THR   5          3HG2      THR   5   3.272 -14.836 -14.836
   30    H    CYS   6           HN       CYS   6   2.332 -10.961 -10.961
   31    HA   CYS   6           HA       CYS   6   4.599  -9.766  -9.766
   32   1HB   CYS   6          2HB       CYS   6   3.329  -9.568  -9.568
   33   2HB   CYS   6          3HB       CYS   6   4.993  -9.053  -9.053
   34    H    GLY   7           HN       GLY   7   5.284 -12.164 -12.164
   35   1HA   GLY   7          1HA       GLY   7   6.890 -13.720 -13.720
   36   2HA   GLY   7          2HA       GLY   7   7.475 -12.834 -12.834
   37    H    SER   8           HN       SER   8   5.449 -12.864 -12.864
   38    HA   SER   8           HA       SER   8   4.729 -15.676 -15.676
   39   1HB   SER   8          2HB       SER   8   5.463 -15.814 -15.814
   40   2HB   SER   8          3HB       SER   8   6.774 -15.015 -15.015
   41    HG   SER   8           HG       SER   8   5.793 -14.103 -14.103
   42    H    ASN   9           HN       ASN   9   2.869 -14.052 -14.052
   43    HA   ASN   9           HA       ASN   9   1.075 -13.686 -13.686
   44   1HB   ASN   9          2HB       ASN   9   1.415 -11.587 -11.587
   45   2HB   ASN   9          3HB       ASN   9   0.314 -11.483 -11.483
   46   1HD2  ASN   9          2HD2      ASN   9   4.410 -11.153 -11.153
   47   2HD2  ASN   9          1HD2      ASN   9   3.759 -12.134 -12.134
   48    H    CYS  10           HN       CYS  10  -1.198 -12.818 -12.818
   49    HA   CYS  10           HA       CYS  10  -1.573 -13.761 -13.761
   50   1HB   CYS  10          2HB       CYS  10  -1.283 -15.916 -15.916
   51   2HB   CYS  10          3HB       CYS  10  -3.013 -15.668 -15.668
   52    H    TYR  11           HN       TYR  11  -2.295 -11.408 -11.408
   53    HA   TYR  11           HA       TYR  11  -5.137 -11.650 -11.650
   54   1HB   TYR  11          2HB       TYR  11  -4.440  -9.196  -9.196
   55   2HB   TYR  11          3HB       TYR  11  -4.201 -10.626 -10.626
   56    HD1  TYR  11           HD2      TYR  11  -2.194  -9.457  -9.457
   57    HD2  TYR  11           HD1      TYR  11  -2.306 -10.130 -10.130
   58    HE1  TYR  11           HE2      TYR  11   0.291  -8.942  -8.942
   59    HE2  TYR  11           HE1      TYR  11   0.179  -9.613  -9.613
   60    HH   TYR  11           HH       TYR  11   1.821  -8.031  -8.031
   61    H    SER  12           HN       SER  12  -6.076 -11.363 -11.363
   62    HA   SER  12           HA       SER  12  -5.000  -9.695  -9.695
   63   1HB   SER  12          2HB       SER  12  -7.263  -9.936  -9.936
   64   2HB   SER  12          3HB       SER  12  -6.528 -11.459 -11.459
   65    HG   SER  12           HG       SER  12  -8.109 -10.342 -10.342
   66    H    SER  13           HN       SER  13  -6.758  -7.911  -7.911
   67    HA   SER  13           HA       SER  13  -6.490  -5.725  -5.725
   68   1HB   SER  13          2HB       SER  13  -8.556  -4.898  -4.898
   69   2HB   SER  13          3HB       SER  13  -6.981  -5.170  -5.170
   70    HG   SER  13           HG       SER  13  -8.578  -7.477  -7.477
   71    H    SER  14           HN       SER  14  -8.690  -8.375  -8.375
   72    HA   SER  14           HA       SER  14 -10.723  -6.867  -6.867
   73   1HB   SER  14          2HB       SER  14 -11.238  -8.943  -8.943
   74   2HB   SER  14          3HB       SER  14 -10.232  -9.874  -9.874
   75    HG   SER  14           HG       SER  14 -12.818  -8.786  -8.786
   76    H    ASP  15           HN       ASP  15  -7.775  -8.653  -8.653
   77    HA   ASP  15           HA       ASP  15  -8.464  -8.755  -8.755
   78   1HB   ASP  15          2HB       ASP  15  -6.181  -9.614  -9.614
   79   2HB   ASP  15          3HB       ASP  15  -5.772  -9.269  -9.269
   80    H    VAL  16           HN       VAL  16  -6.364  -6.876  -6.876
   81    HA   VAL  16           HA       VAL  16  -4.890  -5.445  -5.445
   82    HB   VAL  16           HB       VAL  16  -5.925  -4.727  -4.727
   83   1HG1  VAL  16          2HG1      VAL  16  -4.306  -3.170  -3.170
   84   2HG1  VAL  16          3HG1      VAL  16  -3.668  -3.242  -3.242
   85   3HG1  VAL  16          1HG1      VAL  16  -5.311  -2.623  -2.623
   86   1HG2  VAL  16          3HG2      VAL  16  -4.468  -6.727  -6.727
   87   2HG2  VAL  16          1HG2      VAL  16  -3.712  -5.392  -5.392
   88   3HG2  VAL  16          2HG2      VAL  16  -3.205  -5.735  -5.735
   89    H    SER  17           HN       SER  17  -8.098  -4.657  -4.657
   90    HA   SER  17           HA       SER  17  -8.598  -2.260  -2.260
   91   1HB   SER  17          2HB       SER  17 -10.245  -3.646  -3.646
   92   2HB   SER  17          3HB       SER  17 -10.489  -4.645  -4.645
   93    HG   SER  17           HG       SER  17 -12.007  -2.692  -2.692
   94    H    THR  18           HN       THR  18  -9.070  -5.266  -5.266
   95    HA   THR  18           HA       THR  18  -9.907  -4.111  -4.111
   96    HB   THR  18           HB       THR  18  -8.367  -6.583  -6.583
   97    HG1  THR  18           HG1      THR  18 -10.809  -6.053  -6.053
   98   1HG2  THR  18          3HG2      THR  18  -8.768  -5.542  -5.542
   99   2HG2  THR  18          1HG2      THR  18  -8.709  -7.285  -7.285
  100   3HG2  THR  18          2HG2      THR  18  -7.300  -6.259  -6.259
  101    H    ALA  19           HN       ALA  19  -6.481  -4.612  -4.612
  102    HA   ALA  19           HA       ALA  19  -5.358  -3.498  -3.498
  103   1HB   ALA  19          3HB       ALA  19  -4.535  -4.411  -4.411
  104   2HB   ALA  19          1HB       ALA  19  -3.604  -2.988  -2.988
  105   3HB   ALA  19          2HB       ALA  19  -3.646  -4.450  -4.450
  106    H    GLN  20           HN       GLN  20  -6.467  -2.064  -2.064
  107    HA   GLN  20           HA       GLN  20  -5.429   0.454   0.454
  108   1HB   GLN  20          2HB       GLN  20  -8.039  -0.067  -0.067
  109   2HB   GLN  20          3HB       GLN  20  -6.842   1.168   1.168
  110   1HG   GLN  20          2HG       GLN  20  -5.261  -0.440  -0.440
  111   2HG   GLN  20          3HG       GLN  20  -6.154  -1.792  -1.792
  112   1HE2  GLN  20          1HE2      GLN  20  -7.461   1.046   1.046
  113   2HE2  GLN  20          2HE2      GLN  20  -8.123   0.229   0.229
  114    H    ALA  21           HN       ALA  21  -8.833  -0.736  -0.736
  115    HA   ALA  21           HA       ALA  21 -10.044   1.383   1.383
  116   1HB   ALA  21          2HB       ALA  21 -10.934  -0.959  -0.959
  117   2HB   ALA  21          3HB       ALA  21 -10.084  -1.354  -1.354
  118   3HB   ALA  21          1HB       ALA  21 -11.385  -0.140  -0.140
  119    H    ALA  22           HN       ALA  22  -7.503  -0.539  -0.539
  120    HA   ALA  22           HA       ALA  22  -7.759   0.818   0.818
  121   1HB   ALA  22          2HB       ALA  22  -6.714  -1.478  -1.478
  122   2HB   ALA  22          3HB       ALA  22  -5.280  -0.573  -0.573
  123   3HB   ALA  22          1HB       ALA  22  -5.839  -0.431  -0.431
  124    H    GLY  23           HN       GLY  23  -5.313   1.038   1.038
  125   1HA   GLY  23          1HA       GLY  23  -3.873   3.182   3.182
  126   2HA   GLY  23          2HA       GLY  23  -4.032   2.749   2.749
  127    H    TYR  24           HN       TYR  24  -6.753   3.159   3.159
  128    HA   TYR  24           HA       TYR  24  -6.869   5.860   5.860
  129   1HB   TYR  24          2HB       TYR  24  -8.254   3.633   3.633
  130   2HB   TYR  24          3HB       TYR  24  -9.320   4.139   4.139
  131    HD1  TYR  24           HD1      TYR  24  -7.716   5.457   5.457
  132    HD2  TYR  24           HD2      TYR  24 -11.059   5.629   5.629
  133    HE1  TYR  24           HE1      TYR  24  -8.911   7.039   7.039
  134    HE2  TYR  24           HE2      TYR  24 -12.243   7.210   7.210
  135    HH   TYR  24           HH       TYR  24 -12.239   8.026   8.026
  136    H    LYS  25           HN       LYS  25  -8.966   4.119   4.119
  137    HA   LYS  25           HA       LYS  25 -10.073   6.247   6.247
  138   1HB   LYS  25          2HB       LYS  25 -10.575   3.879   3.879
  139   2HB   LYS  25          3HB       LYS  25  -9.072   3.736   3.736
  140   1HG   LYS  25          2HG       LYS  25 -10.778   4.154   4.154
  141   2HG   LYS  25          3HG       LYS  25  -9.872   5.648   5.648
  142   1HD   LYS  25          2HD       LYS  25 -11.588   6.668   6.668
  143   2HD   LYS  25          3HD       LYS  25 -12.407   5.138   5.138
  144   1HE   LYS  25          2HE       LYS  25 -13.629   6.445   6.445
  145   2HE   LYS  25          3HE       LYS  25 -12.928   5.039   5.039
  146   1HZ   LYS  25          1HZ       LYS  25 -11.709   7.713   7.713
  147   2HZ   LYS  25          2HZ       LYS  25 -12.555   7.073   7.073
  148   3HZ   LYS  25          3HZ       LYS  25 -11.138   6.401   6.401
  149    H    LEU  26           HN       LEU  26  -7.052   4.674   4.674
  150    HA   LEU  26           HA       LEU  26  -6.460   6.709   6.709
  151   1HB   LEU  26          2HB       LEU  26  -5.433   4.625   4.625
  152   2HB   LEU  26          3HB       LEU  26  -4.826   4.592   4.592
  153    HG   LEU  26           HG       LEU  26  -3.376   6.617   6.617
  154   1HD1  LEU  26          2HD1      LEU  26  -4.712   6.915   6.915
  155   2HD1  LEU  26          3HD1      LEU  26  -3.776   5.537   5.537
  156   3HD1  LEU  26          1HD1      LEU  26  -2.938   7.018   7.018
  157   1HD2  LEU  26          2HD2      LEU  26  -2.877   3.960   3.960
  158   2HD2  LEU  26          3HD2      LEU  26  -1.646   5.192   5.192
  159   3HD2  LEU  26          1HD2      LEU  26  -2.405   4.277   4.277
  160    H    HIS  27           HN       HIS  27  -6.037   6.479   6.479
  161    HA   HIS  27           HA       HIS  27  -4.119   8.563   8.563
  162   1HB   HIS  27          2HB       HIS  27  -4.436   6.743   6.743
  163   2HB   HIS  27          3HB       HIS  27  -5.954   7.484   7.484
  164    HD1  HIS  27           HD1      HIS  27  -2.258   8.495   8.495
  165    HD2  HIS  27           HD2      HIS  27  -5.691   9.303   9.303
  166    HE1  HIS  27           HE1      HIS  27  -1.524  10.068  10.068
  167    HE2  HIS  27           HE2      HIS  27  -3.665  10.484  10.484
  168    H    GLU  28           HN       GLU  28  -7.685   8.338   8.338
  169    HA   GLU  28           HA       GLU  28  -8.033  10.965  10.965
  170   1HB   GLU  28          2HB       GLU  28 -10.300   9.936   9.936
  171   2HB   GLU  28          3HB       GLU  28 -10.196  10.317  10.317
  172   1HG   GLU  28          2HG       GLU  28  -9.032   8.112   8.112
  173   2HG   GLU  28          3HG       GLU  28  -9.230   7.730   7.730
  174    H    ASP  29           HN       ASP  29  -7.433   9.480   9.480
  175    HA   ASP  29           HA       ASP  29  -8.447  11.709  11.709
  176   1HB   ASP  29          2HB       ASP  29  -6.826   9.239   9.239
  177   2HB   ASP  29          3HB       ASP  29  -7.177  10.483  10.483
  178    H    GLY  30           HN       GLY  30  -5.606  10.921  10.921
  179   1HA   GLY  30          1HA       GLY  30  -3.697  12.078  12.078
  180   2HA   GLY  30          2HA       GLY  30  -4.263  13.316  13.316
  181    H    GLU  31           HN       GLU  31  -4.267   9.988   9.988
  182    HA   GLU  31           HA       GLU  31  -1.991  10.697  10.697
  183   1HB   GLU  31          2HB       GLU  31  -4.322   8.791   8.791
  184   2HB   GLU  31          3HB       GLU  31  -2.913   8.806   8.806
  185   1HG   GLU  31          2HG       GLU  31  -4.559  11.308  11.308
  186   2HG   GLU  31          3HG       GLU  31  -4.893  10.248  10.248
  187    H    THR  32           HN       THR  32  -0.717   8.611   8.611
  188    HA   THR  32           HA       THR  32  -0.487   6.729   6.729
  189    HB   THR  32           HB       THR  32   2.112   7.021   7.021
  190    HG1  THR  32           HG1      THR  32   1.893   8.642   8.642
  191   1HG2  THR  32          3HG2      THR  32   0.560   9.070   9.070
  192   2HG2  THR  32          1HG2      THR  32   2.324   8.842   8.842
  193   3HG2  THR  32          2HG2      THR  32   1.244   7.545   7.545
  194    H    VAL  33           HN       VAL  33   0.570   4.683   4.683
  195    HA   VAL  33           HA       VAL  33  -0.422   3.780   3.780
  196    HB   VAL  33           HB       VAL  33   0.960   1.697   1.697
  197   1HG1  VAL  33          3HG1      VAL  33  -1.592   2.184   2.184
  198   2HG1  VAL  33          1HG1      VAL  33  -1.405   2.484   2.484
  199   3HG1  VAL  33          2HG1      VAL  33  -0.982   0.894   0.894
  200   1HG2  VAL  33          2HG2      VAL  33   2.068   3.242   3.242
  201   2HG2  VAL  33          3HG2      VAL  33   1.527   1.619   1.619
  202   3HG2  VAL  33          1HG2      VAL  33   0.541   3.046   3.046
  203    H    GLY  34           HN       GLY  34   0.573   3.842   3.842
  204   1HA   GLY  34          1HA       GLY  34   2.911   5.112   5.112
  205   2HA   GLY  34          2HA       GLY  34   2.218   3.845   3.845
  206    H    SER  35           HN       SER  35   4.821   4.742   4.742
  207    HA   SER  35           HA       SER  35   6.632   3.064   3.064
  208   1HB   SER  35          2HB       SER  35   4.607   1.485   1.485
  209   2HB   SER  35          3HB       SER  35   6.297   1.144   1.144
  210    HG   SER  35           HG       SER  35   5.726   1.334   1.334
  211    H    ASN  36           HN       ASN  36   4.764   4.334   4.334
  212    HA   ASN  36           HA       ASN  36   7.223   5.267   5.267
  213   1HB   ASN  36          2HB       ASN  36   5.599   3.089   3.089
  214   2HB   ASN  36          3HB       ASN  36   5.808   4.432   4.432
  215   1HD2  ASN  36          2HD2      ASN  36   8.654   2.415   2.415
  216   2HD2  ASN  36          1HD2      ASN  36   6.952   2.588   2.588
  217    H    SER  37           HN       SER  37   5.982   6.132   6.132
  218    HA   SER  37           HA       SER  37   3.994   7.964   7.964
  219   1HB   SER  37          2HB       SER  37   4.710   9.454   9.454
  220   2HB   SER  37          3HB       SER  37   5.887   9.248   9.248
  221    HG   SER  37           HG       SER  37   6.000   7.367   7.367
  222    H    TYR  38           HN       TYR  38   3.340   5.290   5.290
  223    HA   TYR  38           HA       TYR  38   2.187   5.736   5.736
  224   1HB   TYR  38          2HB       TYR  38   2.428   3.338   3.338
  225   2HB   TYR  38          3HB       TYR  38   1.746   3.220   3.220
  226    HD1  TYR  38           HD2      TYR  38   4.771   5.156   5.156
  227    HD2  TYR  38           HD1      TYR  38   3.247   1.741   1.741
  228    HE1  TYR  38           HE2      TYR  38   7.083   4.693   4.693
  229    HE2  TYR  38           HE1      TYR  38   5.564   1.291   1.291
  230    HH   TYR  38           HH       TYR  38   8.345   3.005   3.005
  231    HA   PRO  39           HA       PRO  39   0.765   4.879   4.879
  232   1HB   PRO  39          2HB       PRO  39  -1.304   5.983   5.983
  233   2HB   PRO  39          3HB       PRO  39  -1.282   4.307   4.307
  234   1HG   PRO  39          2HG       PRO  39  -2.822   6.570   6.570
  235   2HG   PRO  39          3HG       PRO  39  -3.092   4.852   4.852
  236   1HD   PRO  39          2HD       PRO  39  -1.921   6.647   6.647
  237   2HD   PRO  39          3HD       PRO  39  -2.084   4.909   4.909
  238    H    HIS  40           HN       HIS  40   0.606   6.483   6.483
  239    HA   HIS  40           HA       HIS  40   0.835   9.172   9.172
  240   1HB   HIS  40          2HB       HIS  40   3.190   9.599   9.599
  241   2HB   HIS  40          3HB       HIS  40   2.747   8.527   8.527
  242    HD1  HIS  40           HD1      HIS  40   4.306   8.321   8.321
  243    HD2  HIS  40           HD2      HIS  40   4.253   6.235   6.235
  244    HE1  HIS  40           HE1      HIS  40   6.026   6.449   6.449
  245    HE2  HIS  40           HE2      HIS  40   5.987   5.236   5.236
  246    H    LYS  41           HN       LYS  41   1.947  10.338  10.338
  247    HA   LYS  41           HA       LYS  41   0.906   9.426   9.426
  248   1HB   LYS  41          2HB       LYS  41   1.885  11.734  11.734
  249   2HB   LYS  41          3HB       LYS  41   3.402  11.112  11.112
  250   1HG   LYS  41          2HG       LYS  41   2.731  11.316  11.316
  251   2HG   LYS  41          3HG       LYS  41   1.181  10.564  10.564
  252   1HD   LYS  41          2HD       LYS  41   0.577  12.765  12.765
  253   2HD   LYS  41          3HD       LYS  41   0.526  12.825  12.825
  254   1HE   LYS  41          2HE       LYS  41   3.193  13.440  13.440
  255   2HE   LYS  41          3HE       LYS  41   1.933  14.599  14.599
  256   1HZ   LYS  41          1HZ       LYS  41   2.069  13.751  13.751
  257   2HZ   LYS  41          2HZ       LYS  41   3.327  14.653  14.653
  258   3HZ   LYS  41          3HZ       LYS  41   1.806  15.239  15.239
  259    H    TYR  42           HN       TYR  42   2.257   8.896   8.896
  260    HA   TYR  42           HA       TYR  42   4.594   7.290   7.290
  261   1HB   TYR  42          2HB       TYR  42   2.784   5.684   5.684
  262   2HB   TYR  42          3HB       TYR  42   1.829   6.278   6.278
  263    HD1  TYR  42           HD1      TYR  42   2.463   5.696   5.696
  264    HD2  TYR  42           HD2      TYR  42   4.494   4.017   4.017
  265    HE1  TYR  42           HE1      TYR  42   3.425   3.868   3.868
  266    HE2  TYR  42           HE2      TYR  42   5.451   2.194   2.194
  267    HH   TYR  42           HH       TYR  42   4.353   1.791   1.791
  268    H    ASN  43           HN       ASN  43   3.295   9.667   9.667
  269    HA   ASN  43           HA       ASN  43   2.926   9.678   9.678
  270   1HB   ASN  43          2HB       ASN  43   5.272  10.882  10.882
  271   2HB   ASN  43          3HB       ASN  43   5.433  10.842  10.842
  272   1HD2  ASN  43          2HD2      ASN  43   3.096  13.560  13.560
  273   2HD2  ASN  43          1HD2      ASN  43   4.197  12.479  12.479
  274    H    ASN  44           HN       ASN  44   3.021   7.522   7.522
  275    HA   ASN  44           HA       ASN  44   5.109   5.855   5.855
  276   1HB   ASN  44          2HB       ASN  44   4.025   4.810   4.810
  277   2HB   ASN  44          3HB       ASN  44   2.718   5.664   5.664
  278   1HD2  ASN  44          2HD2      ASN  44   4.100   6.747   6.747
  279   2HD2  ASN  44          1HD2      ASN  44   4.923   5.611   5.611
  280    H    TYR  45           HN       TYR  45   6.489   5.334   5.334
  281    HA   TYR  45           HA       TYR  45   7.085   7.302   7.302
  282   1HB   TYR  45          2HB       TYR  45   8.362   7.438   7.438
  283   2HB   TYR  45          3HB       TYR  45   9.508   7.517   7.517
  284    HD1  TYR  45           HD1      TYR  45   6.503   8.869   8.869
  285    HD2  TYR  45           HD2      TYR  45   9.790   9.806   9.806
  286    HE1  TYR  45           HE1      TYR  45   6.018  11.351  11.351
  287    HE2  TYR  45           HE2      TYR  45   9.294  12.283  12.283
  288    HH   TYR  45           HH       TYR  45   8.230  13.753  13.753
  289    H    GLU  46           HN       GLU  46   8.487   4.774   4.774
  290    HA   GLU  46           HA       GLU  46  10.533   3.934   3.934
  291   1HB   GLU  46          2HB       GLU  46   8.556   2.214   2.214
  292   2HB   GLU  46          3HB       GLU  46  10.123   1.657   1.657
  293   1HG   GLU  46          2HG       GLU  46   9.451   3.508   3.508
  294   2HG   GLU  46          3HG       GLU  46  10.778   2.374   2.374
  295    H    GLY  47           HN       GLY  47   7.155   3.847   3.847
  296   1HA   GLY  47          1HA       GLY  47   6.718   3.531   3.531
  297   2HA   GLY  47          2HA       GLY  47   7.779   2.137   2.137
  298    H    PHE  48           HN       PHE  48   5.030   3.340   3.340
  299    HA   PHE  48           HA       PHE  48   4.004   0.606   0.606
  300   1HB   PHE  48          2HB       PHE  48   3.533   3.154   3.154
  301   2HB   PHE  48          3HB       PHE  48   2.547   1.722   1.722
  302    HD1  PHE  48           HD2      PHE  48   3.596  -0.375  -0.375
  303    HD2  PHE  48           HD1      PHE  48   5.721   3.296   3.296
  304    HE1  PHE  48           HE2      PHE  48   5.284  -1.288  -1.288
  305    HE2  PHE  48           HE1      PHE  48   7.409   2.382   2.382
  306    HZ   PHE  48           HZ       PHE  48   7.170   0.101   0.101
  307    H    ASP  49           HN       ASP  49   2.068   0.061   0.061
  308    HA   ASP  49           HA       ASP  49   0.840   2.159   2.159
  309   1HB   ASP  49          2HB       ASP  49  -0.202  -0.666  -0.666
  310   2HB   ASP  49          3HB       ASP  49  -0.067   0.449   0.449
  311    H    PHE  50           HN       PHE  50   0.019   3.142   3.142
  312    HA   PHE  50           HA       PHE  50  -1.969   1.649   1.649
  313   1HB   PHE  50          2HB       PHE  50  -0.950   4.547   4.547
  314   2HB   PHE  50          3HB       PHE  50  -2.218   4.047   4.047
  315    HD1  PHE  50           HD1      PHE  50  -0.249   1.246   1.246
  316    HD2  PHE  50           HD2      PHE  50  -0.132   5.162   5.162
  317    HE1  PHE  50           HE1      PHE  50   1.482   0.505   0.505
  318    HE2  PHE  50           HE2      PHE  50   1.599   4.420   4.420
  319    HZ   PHE  50           HZ       PHE  50   2.384   2.100   2.100
  320    H    SER  51           HN       SER  51  -3.874   1.214   1.214
  321    HA   SER  51           HA       SER  51  -4.893   3.027   3.027
  322   1HB   SER  51          2HB       SER  51  -6.790   1.433   1.433
  323   2HB   SER  51          3HB       SER  51  -5.247   0.607   0.607
  324    HG   SER  51           HG       SER  51  -6.122   0.858   0.858
  325    H    VAL  52           HN       VAL  52  -4.485   4.045   4.045
  326    HA   VAL  52           HA       VAL  52  -7.270   4.829   4.829
  327    HB   VAL  52           HB       VAL  52  -6.787   4.874   4.874
  328   1HG1  VAL  52          1HG1      VAL  52  -5.995   2.264   2.264
  329   2HG1  VAL  52          2HG1      VAL  52  -6.368   2.432   2.432
  330   3HG1  VAL  52          3HG1      VAL  52  -7.621   2.772   2.772
  331   1HG2  VAL  52          2HG2      VAL  52  -3.980   4.061   4.061
  332   2HG2  VAL  52          3HG2      VAL  52  -4.488   5.520   5.520
  333   3HG2  VAL  52          1HG2      VAL  52  -4.605   3.922   3.922
  334    H    SER  53           HN       SER  53  -7.424   7.014   7.014
  335    HA   SER  53           HA       SER  53  -5.581   8.752   8.752
  336   1HB   SER  53          2HB       SER  53  -8.126   9.273   9.273
  337   2HB   SER  53          3HB       SER  53  -7.167  10.551  10.551
  338    HG   SER  53           HG       SER  53  -9.097   9.475   9.475
  339    H    SER  54           HN       SER  54  -4.471  10.550  10.550
  340    HA   SER  54           HA       SER  54  -3.474   9.615   9.615
  341   1HB   SER  54          2HB       SER  54  -1.676  11.016  11.016
  342   2HB   SER  54          3HB       SER  54  -2.231  10.821  10.821
  343    HG   SER  54           HG       SER  54  -2.507  12.935  12.935
  344    HA   PRO  55           HA       PRO  55  -2.055  11.333  11.333
  345   1HB   PRO  55          2HB       PRO  55  -1.629  11.679  11.679
  346   2HB   PRO  55          3HB       PRO  55  -1.444  12.967  12.967
  347   1HG   PRO  55          2HG       PRO  55  -3.630  12.529  12.529
  348   2HG   PRO  55          3HG       PRO  55  -3.207  13.993  13.993
  349   1HD   PRO  55          2HD       PRO  55  -5.382  12.219  12.219
  350   2HD   PRO  55          3HD       PRO  55  -4.889  13.618  13.618
  351    H    TYR  56           HN       TYR  56  -0.701   9.603   9.603
  352    HA   TYR  56           HA       TYR  56  -2.459   7.361   7.361
  353   1HB   TYR  56          2HB       TYR  56   0.505   7.660   7.660
  354   2HB   TYR  56          3HB       TYR  56  -0.308   6.117   6.117
  355    HD1  TYR  56           HD1      TYR  56  -2.940   6.808   6.808
  356    HD2  TYR  56           HD2      TYR  56   1.100   7.654   7.654
  357    HE1  TYR  56           HE1      TYR  56  -3.636   6.916   6.916
  358    HE2  TYR  56           HE2      TYR  56   0.390   7.760   7.760
  359    HH   TYR  56           HH       TYR  56  -2.811   6.801   6.801
  360    H    TYR  57           HN       TYR  57  -2.402   6.276   6.276
  361    HA   TYR  57           HA       TYR  57  -0.428   7.264   7.264
  362   1HB   TYR  57          2HB       TYR  57  -3.200   5.953   5.953
  363   2HB   TYR  57          3HB       TYR  57  -2.247   6.620   6.620
  364    HD1  TYR  57           HD2      TYR  57  -1.446   9.006   9.006
  365    HD2  TYR  57           HD1      TYR  57  -5.035   7.448   7.448
  366    HE1  TYR  57           HE2      TYR  57  -2.585  11.256  11.256
  367    HE2  TYR  57           HE1      TYR  57  -6.163   9.704   9.704
  368    HH   TYR  57           HH       TYR  57  -4.718  12.406  12.406
  369    H    GLU  58           HN       GLU  58   0.975   5.822   5.822
  370    HA   GLU  58           HA       GLU  58   0.619   3.066   3.066
  371   1HB   GLU  58          2HB       GLU  58   2.995   2.791   2.791
  372   2HB   GLU  58          3HB       GLU  58   2.785   4.178   4.178
  373   1HG   GLU  58          2HG       GLU  58   4.284   4.901   4.901
  374   2HG   GLU  58          3HG       GLU  58   2.742   5.645   5.645
  375    H    TRP  59           HN       TRP  59   0.567   1.322   1.322
  376    HA   TRP  59           HA       TRP  59   0.797   1.898   1.898
  377   1HB   TRP  59          2HB       TRP  59  -1.415   2.621   2.621
  378   2HB   TRP  59          3HB       TRP  59  -1.863   1.395   1.395
  379    HD1  TRP  59           HD1      TRP  59  -2.553  -1.028  -1.028
  380    HE1  TRP  59           HE1      TRP  59  -3.145  -1.984  -1.984
  381    HE3  TRP  59           HE3      TRP  59  -0.726   2.931   2.931
  382    HZ2  TRP  59           HZ2      TRP  59  -2.790  -1.000  -1.000
  383    HZ3  TRP  59           HZ3      TRP  59  -0.889   2.854   2.854
  384    HH2  TRP  59           HH2      TRP  59  -1.877   0.976   0.976
  385    HA   PRO  60           HA       PRO  60   2.002  -2.266  -2.266
  386   1HB   PRO  60          2HB       PRO  60   1.948  -3.014  -3.014
  387   2HB   PRO  60          3HB       PRO  60   3.269  -2.109  -2.109
  388   1HG   PRO  60          2HG       PRO  60   1.123  -1.152  -1.152
  389   2HG   PRO  60          3HG       PRO  60   2.660  -0.397  -0.397
  390   1HD   PRO  60          2HD       PRO  60   0.087   0.346   0.346
  391   2HD   PRO  60          3HD       PRO  60   1.636   1.024   1.024
  392    H    ILE  61           HN       ILE  61   1.339  -4.421  -4.421
  393    HA   ILE  61           HA       ILE  61  -1.504  -4.697  -4.697
  394    HB   ILE  61           HB       ILE  61  -1.136  -4.461  -4.461
  395   1HG1  ILE  61          2HG1      ILE  61  -2.053  -7.184  -7.184
  396   2HG1  ILE  61          3HG1      ILE  61  -3.034  -5.748  -5.748
  397   1HG2  ILE  61          1HG2      ILE  61   1.162  -5.389  -5.389
  398   2HG2  ILE  61          2HG2      ILE  61   0.483  -7.016  -7.016
  399   3HG2  ILE  61          3HG2      ILE  61   0.081  -6.101  -6.101
  400   1HD1  ILE  61          3HD1      ILE  61  -1.971  -5.915  -5.915
  401   2HD1  ILE  61          1HD1      ILE  61  -1.958  -7.637  -7.637
  402   3HD1  ILE  61          2HD1      ILE  61  -3.486  -6.724  -6.724
  403    H    LEU  62           HN       LEU  62  -1.750  -6.050  -6.050
  404    HA   LEU  62           HA       LEU  62   0.355  -7.929  -7.929
  405   1HB   LEU  62          2HB       LEU  62  -2.228  -7.231  -7.231
  406   2HB   LEU  62          3HB       LEU  62  -1.063  -8.399  -8.399
  407    HG   LEU  62           HG       LEU  62  -0.447  -5.471  -5.471
  408   1HD1  LEU  62          3HD1      LEU  62  -2.172  -5.951  -5.951
  409   2HD1  LEU  62          1HD1      LEU  62  -0.875  -6.789  -6.789
  410   3HD1  LEU  62          2HD1      LEU  62  -0.720  -5.057  -5.057
  411   1HD2  LEU  62          2HD2      LEU  62   1.219  -7.765  -7.765
  412   2HD2  LEU  62          3HD2      LEU  62   1.678  -6.073  -6.073
  413   3HD2  LEU  62          1HD2      LEU  62   1.331  -6.611  -6.611
  414    H    SER  63           HN       SER  63   0.447  -9.910  -9.910
  415    HA   SER  63           HA       SER  63  -1.483 -10.899 -10.899
  416   1HB   SER  63          2HB       SER  63  -0.275 -13.066 -13.066
  417   2HB   SER  63          3HB       SER  63   0.827 -11.717 -11.717
  418    HG   SER  63           HG       SER  63   1.774 -12.510 -12.510
  419    H    SER  64           HN       SER  64  -1.512 -10.644 -10.644
  420    HA   SER  64           HA       SER  64  -3.151 -12.949 -12.949
  421   1HB   SER  64          2HB       SER  64  -1.908 -10.819 -10.819
  422   2HB   SER  64          3HB       SER  64  -3.364 -11.562 -11.562
  423    HG   SER  64           HG       SER  64  -0.803 -12.592 -12.592
  424    H    GLY  65           HN       GLY  65  -3.559  -9.709  -9.709
  425   1HA   GLY  65          1HA       GLY  65  -5.487  -8.720  -8.720
  426   2HA   GLY  65          2HA       GLY  65  -6.436  -9.980  -9.980
  427    H    ASP  66           HN       ASP  66  -3.868  -8.108  -8.108
  428    HA   ASP  66           HA       ASP  66  -5.979  -7.046  -7.046
  429   1HB   ASP  66          2HB       ASP  66  -3.009  -7.554  -7.554
  430   2HB   ASP  66          3HB       ASP  66  -3.997  -6.645  -6.645
  431    H    VAL  67           HN       VAL  67  -4.619  -4.924  -4.924
  432    HA   VAL  67           HA       VAL  67  -3.910  -3.218  -3.218
  433    HB   VAL  67           HB       VAL  67  -5.461  -2.689  -2.689
  434   1HG1  VAL  67          3HG1      VAL  67  -3.766  -0.909  -0.909
  435   2HG1  VAL  67          1HG1      VAL  67  -4.337  -0.597  -0.597
  436   3HG1  VAL  67          2HG1      VAL  67  -5.416  -0.300  -0.300
  437   1HG2  VAL  67          1HG2      VAL  67  -6.019  -2.671  -2.671
  438   2HG2  VAL  67          2HG2      VAL  67  -7.008  -3.279  -3.279
  439   3HG2  VAL  67          3HG2      VAL  67  -6.902  -1.529  -1.529
  440    H    TYR  68           HN       TYR  68  -1.769  -2.791  -2.791
  441    HA   TYR  68           HA       TYR  68   0.113  -3.471  -3.471
  442   1HB   TYR  68          2HB       TYR  68   0.161  -2.254  -2.254
  443   2HB   TYR  68          3HB       TYR  68  -0.031  -0.756  -0.756
  444    HD1  TYR  68           HD2      TYR  68   2.040  -3.667  -3.667
  445    HD2  TYR  68           HD1      TYR  68   2.023   0.311   0.311
  446    HE1  TYR  68           HE2      TYR  68   4.560  -3.525  -3.525
  447    HE2  TYR  68           HE1      TYR  68   4.542   0.440   0.440
  448    HH   TYR  68           HH       TYR  68   6.273  -2.055  -2.055
  449    H    SER  69           HN       SER  69   1.534  -2.081  -2.081
  450    HA   SER  69           HA       SER  69  -0.221  -0.383  -0.383
  451   1HB   SER  69          2HB       SER  69   0.906  -1.117  -1.117
  452   2HB   SER  69          3HB       SER  69   0.616  -2.570  -2.570
  453    HG   SER  69           HG       SER  69   2.833  -2.318  -2.318
  454    H    GLY  70           HN       GLY  70   2.416  -0.449  -0.449
  455   1HA   GLY  70          1HA       GLY  70   3.219   1.807   1.807
  456   2HA   GLY  70          2HA       GLY  70   3.520   2.047   2.047
  457    H    GLY  71           HN       GLY  71   5.710   2.504   2.504
  458   1HA   GLY  71          1HA       GLY  71   7.892   1.929   1.929
  459   2HA   GLY  71          2HA       GLY  71   7.513   0.443   0.443
  460    H    SER  72           HN       SER  72   8.764  -0.962  -0.962
  461    HA   SER  72           HA       SER  72   8.303  -0.902  -0.902
  462   1HB   SER  72          2HB       SER  72  10.196  -2.441  -2.441
  463   2HB   SER  72          3HB       SER  72  10.017  -2.864  -2.864
  464    HG   SER  72           HG       SER  72  10.984  -0.396  -0.396
  465    HA   PRO  73           HA       PRO  73   5.236  -4.020  -4.020
  466   1HB   PRO  73          2HB       PRO  73   3.971  -3.782  -3.782
  467   2HB   PRO  73          3HB       PRO  73   3.559  -2.810  -2.810
  468   1HG   PRO  73          2HG       PRO  73   5.066  -2.028  -2.028
  469   2HG   PRO  73          3HG       PRO  73   4.287  -1.002  -1.002
  470   1HD   PRO  73          2HD       PRO  73   7.096  -1.528  -1.528
  471   2HD   PRO  73          3HD       PRO  73   6.305  -0.596  -0.596
  472    H    GLY  74           HN       GLY  74   7.892  -3.954  -3.954
  473   1HA   GLY  74          1HA       GLY  74   8.935  -6.158  -6.158
  474   2HA   GLY  74          2HA       GLY  74   7.400  -6.756  -6.756
  475    H    ALA  75           HN       ALA  75   6.862  -6.530  -6.530
  476    HA   ALA  75           HA       ALA  75   8.506  -4.728  -4.728
  477   1HB   ALA  75          1HB       ALA  75   9.500  -7.098  -7.098
  478   2HB   ALA  75          2HB       ALA  75   8.059  -7.619  -7.619
  479   3HB   ALA  75          3HB       ALA  75   9.176  -6.430  -6.430
  480    H    ASP  76           HN       ASP  76   5.730  -7.020  -7.020
  481    HA   ASP  76           HA       ASP  76   4.475  -6.246  -6.246
  482   1HB   ASP  76          2HB       ASP  76   2.998  -6.993  -6.993
  483   2HB   ASP  76          3HB       ASP  76   2.522  -7.332  -7.332
  484    H    ARG  77           HN       ARG  77   3.144  -4.454  -4.454
  485    HA   ARG  77           HA       ARG  77   2.068  -2.917  -2.917
  486   1HB   ARG  77          2HB       ARG  77   3.761  -1.440  -1.440
  487   2HB   ARG  77          3HB       ARG  77   3.143  -0.832  -0.832
  488   1HG   ARG  77          2HG       ARG  77   4.935  -3.225  -3.225
  489   2HG   ARG  77          3HG       ARG  77   5.703  -1.741  -1.741
  490   1HD   ARG  77          2HD       ARG  77   4.439  -0.649  -0.649
  491   2HD   ARG  77          3HD       ARG  77   4.285  -2.299  -2.299
  492    HE   ARG  77           HE       ARG  77   6.823  -0.789  -0.789
  493   1HH1  ARG  77           HH2      ARG  77   5.218  -3.795  -3.795
  494   2HH1  ARG  77           HH2      ARG  77   6.601  -4.443  -4.443
  495   1HH2  ARG  77           HH1      ARG  77   8.647  -1.643  -1.643
  496   2HH2  ARG  77           HH1      ARG  77   8.564  -3.210  -3.210
  497    H    VAL  78           HN       VAL  78   0.299  -1.535  -1.535
  498    HA   VAL  78           HA       VAL  78  -0.466  -2.053  -2.053
  499    HB   VAL  78           HB       VAL  78  -2.807  -1.666  -1.666
  500   1HG1  VAL  78          1HG1      VAL  78  -1.110  -4.079  -4.079
  501   2HG1  VAL  78          2HG1      VAL  78  -2.847  -4.042  -4.042
  502   3HG1  VAL  78          3HG1      VAL  78  -2.308  -3.856  -3.856
  503   1HG2  VAL  78          3HG2      VAL  78  -1.601  -0.847  -0.847
  504   2HG2  VAL  78          1HG2      VAL  78  -3.240  -1.540  -1.540
  505   3HG2  VAL  78          2HG2      VAL  78  -1.851  -2.562  -2.562
  506    H    VAL  79           HN       VAL  79  -0.961  -0.314  -0.314
  507    HA   VAL  79           HA       VAL  79  -0.701   2.311   2.311
  508    HB   VAL  79           HB       VAL  79   0.003   1.362   1.362
  509   1HG1  VAL  79          2HG1      VAL  79  -0.984   3.853   3.853
  510   2HG1  VAL  79          3HG1      VAL  79   0.765   4.104   4.104
  511   3HG1  VAL  79          1HG1      VAL  79   0.139   3.479   3.479
  512   1HG2  VAL  79          2HG2      VAL  79   1.553   2.006   2.006
  513   2HG2  VAL  79          3HG2      VAL  79   1.834   0.760   0.760
  514   3HG2  VAL  79          1HG2      VAL  79   2.262   2.455   2.455
  515    H    PHE  80           HN       PHE  80  -2.298   3.853   3.853
  516    HA   PHE  80           HA       PHE  80  -4.383   3.232   3.232
  517   1HB   PHE  80          2HB       PHE  80  -6.105   3.506   3.506
  518   2HB   PHE  80          3HB       PHE  80  -5.023   2.196   2.196
  519    HD1  PHE  80           HD2      PHE  80  -2.916   2.970   2.970
  520    HD2  PHE  80           HD1      PHE  80  -6.603   5.055   5.055
  521    HE1  PHE  80           HE2      PHE  80  -2.430   4.079   4.079
  522    HE2  PHE  80           HE1      PHE  80  -6.118   6.165   6.165
  523    HZ   PHE  80           HZ       PHE  80  -4.037   5.664   5.664
  524    H    ASN  81           HN       ASN  81  -6.180   5.256   5.256
  525    HA   ASN  81           HA       ASN  81  -4.539   7.631   7.631
  526   1HB   ASN  81          2HB       ASN  81  -7.225   7.698   7.698
  527   2HB   ASN  81          3HB       ASN  81  -5.758   8.560   8.560
  528   1HD2  ASN  81          2HD2      ASN  81  -6.432   4.688   4.688
  529   2HD2  ASN  81          1HD2      ASN  81  -7.253   5.354   5.354
  530    H    GLU  82           HN       GLU  82  -6.792   9.471   9.471
  531    HA   GLU  82           HA       GLU  82  -7.701   8.965   8.965
  532   1HB   GLU  82          2HB       GLU  82  -6.734  11.236  11.236
  533   2HB   GLU  82          3HB       GLU  82  -8.462  11.515  11.515
  534   1HG   GLU  82          2HG       GLU  82  -8.052  10.539  10.539
  535   2HG   GLU  82          3HG       GLU  82  -6.678  11.590  11.590
  536    H    ASN  83           HN       ASN  83  -8.754   7.681   7.681
  537    HA   ASN  83           HA       ASN  83 -11.488   8.642   8.642
  538   1HB   ASN  83          2HB       ASN  83 -11.320   6.680   6.680
  539   2HB   ASN  83          3HB       ASN  83 -11.396   8.415   8.415
  540   1HD2  ASN  83          2HD2      ASN  83  -8.022   6.288   6.288
  541   2HD2  ASN  83          1HD2      ASN  83  -9.531   5.597   5.597
  542    H    ASN  84           HN       ASN  84  -9.276   5.900   5.900
  543    HA   ASN  84           HA       ASN  84  -9.831   4.374   4.374
  544   1HB   ASN  84          2HB       ASN  84 -12.036   3.490   3.490
  545   2HB   ASN  84          3HB       ASN  84 -12.305   5.186   5.186
  546   1HD2  ASN  84          2HD2      ASN  84 -12.791   3.999   3.999
  547   2HD2  ASN  84          1HD2      ASN  84 -11.415   4.676   4.676
  548    H    GLN  85           HN       GLN  85  -9.005   4.569   4.569
  549    HA   GLN  85           HA       GLN  85  -9.755   1.927   1.927
  550   1HB   GLN  85          2HB       GLN  85  -8.295   4.236   4.236
  551   2HB   GLN  85          3HB       GLN  85  -8.495   2.670   2.670
  552   1HG   GLN  85          2HG       GLN  85 -10.917   2.865   2.865
  553   2HG   GLN  85          3HG       GLN  85 -10.859   4.267   4.267
  554   1HE2  GLN  85          2HE2      GLN  85 -10.545   6.619   6.619
  555   2HE2  GLN  85          1HE2      GLN  85 -10.793   6.224   6.224
  556    H    LEU  86           HN       LEU  86  -7.612   1.009   1.009
  557    HA   LEU  86           HA       LEU  86  -5.397   1.013   1.013
  558   1HB   LEU  86          2HB       LEU  86  -5.662  -1.122  -1.122
  559   2HB   LEU  86          3HB       LEU  86  -7.163  -1.101  -1.101
  560    HG   LEU  86           HG       LEU  86  -4.452  -1.674  -1.674
  561   1HD1  LEU  86          1HD1      LEU  86  -6.393  -3.432  -3.432
  562   2HD1  LEU  86          2HD1      LEU  86  -5.691  -4.050  -4.050
  563   3HD1  LEU  86          3HD1      LEU  86  -4.626  -3.567  -3.567
  564   1HD2  LEU  86          1HD2      LEU  86  -6.918  -0.995  -0.995
  565   2HD2  LEU  86          2HD2      LEU  86  -5.451  -1.613  -1.613
  566   3HD2  LEU  86          3HD2      LEU  86  -6.710  -2.745  -2.745
  567    H    ALA  87           HN       ALA  87  -3.454   1.485   1.485
  568    HA   ALA  87           HA       ALA  87  -3.357   2.083   2.083
  569   1HB   ALA  87          1HB       ALA  87  -1.983   2.823   2.823
  570   2HB   ALA  87          2HB       ALA  87  -0.787   1.876   1.876
  571   3HB   ALA  87          3HB       ALA  87  -1.564   3.290   3.290
  572    H    GLY  88           HN       GLY  88  -2.144  -0.557  -0.557
  573   1HA   GLY  88          1HA       GLY  88  -2.289  -2.556  -2.556
  574   2HA   GLY  88          2HA       GLY  88  -0.683  -1.876  -1.876
  575    H    VAL  89           HN       VAL  89   0.675  -3.363  -3.363
  576    HA   VAL  89           HA       VAL  89   0.385  -3.717  -3.717
  577    HB   VAL  89           HB       VAL  89   0.218  -5.984  -5.984
  578   1HG1  VAL  89          3HG1      VAL  89   1.954  -6.247  -6.247
  579   2HG1  VAL  89          1HG1      VAL  89   0.512  -6.437  -6.437
  580   3HG1  VAL  89          2HG1      VAL  89   0.795  -7.558  -7.558
  581   1HG2  VAL  89          1HG2      VAL  89  -1.585  -4.775  -4.775
  582   2HG2  VAL  89          2HG2      VAL  89  -1.962  -5.486  -5.486
  583   3HG2  VAL  89          3HG2      VAL  89  -1.632  -6.544  -6.544
  584    H    ILE  90           HN       ILE  90   2.303  -2.525  -2.525
  585    HA   ILE  90           HA       ILE  90   4.610  -3.387  -3.387
  586    HB   ILE  90           HB       ILE  90   5.713  -1.487  -1.487
  587   1HG1  ILE  90          2HG1      ILE  90   3.293  -1.452  -1.452
  588   2HG1  ILE  90          3HG1      ILE  90   4.988  -1.305  -1.305
  589   1HG2  ILE  90          2HG2      ILE  90   3.959  -1.356  -1.356
  590   2HG2  ILE  90          3HG2      ILE  90   3.032  -0.400  -0.400
  591   3HG2  ILE  90          1HG2      ILE  90   4.663   0.122   0.122
  592   1HD1  ILE  90          2HD1      ILE  90   3.918   0.835   0.835
  593   2HD1  ILE  90          3HD1      ILE  90   3.294   0.823   0.823
  594   3HD1  ILE  90          1HD1      ILE  90   5.045   0.960   0.960
  595    H    THR  91           HN       THR  91   6.734  -3.684  -3.684
  596    HA   THR  91           HA       THR  91   6.507  -4.648  -4.648
  597    HB   THR  91           HB       THR  91   5.568  -6.654  -6.654
  598    HG1  THR  91           HG1      THR  91   7.845  -6.784  -6.784
  599   1HG2  THR  91          3HG2      THR  91   7.522  -6.485  -6.485
  600   2HG2  THR  91          1HG2      THR  91   6.313  -7.763  -7.763
  601   3HG2  THR  91          2HG2      THR  91   5.787  -6.102  -6.102
  602    H    HIS  92           HN       HIS  92   8.555  -5.104  -5.104
  603    HA   HIS  92           HA       HIS  92  10.628  -3.635  -3.635
  604   1HB   HIS  92          2HB       HIS  92  10.302  -5.048  -5.048
  605   2HB   HIS  92          3HB       HIS  92  11.893  -4.529  -4.529
  606    HD1  HIS  92           HD1      HIS  92  12.206  -2.644  -2.644
  607    HD2  HIS  92           HD2      HIS  92   8.680  -2.282  -2.282
  608    HE1  HIS  92           HE1      HIS  92  11.262  -0.331  -0.331
  609    HE2  HIS  92           HE2      HIS  92   9.126  -0.145  -0.145
  610    H    THR  93           HN       THR  93   9.469  -6.428  -6.428
  611    HA   THR  93           HA       THR  93  11.351  -8.396  -8.396
  612    HB   THR  93           HB       THR  93   9.307  -7.513  -7.513
  613    HG1  THR  93           HG1      THR  93   8.852  -8.839  -8.839
  614   1HG2  THR  93          2HG2      THR  93  11.625  -9.350  -9.350
  615   2HG2  THR  93          3HG2      THR  93  10.011  -9.964  -9.964
  616   3HG2  THR  93          1HG2      THR  93  10.609  -8.449  -8.449
  617    H    GLY  94           HN       GLY  94  13.474  -7.624  -7.624
  618   1HA   GLY  94          1HA       GLY  94  15.388  -6.598  -6.598
  619   2HA   GLY  94          2HA       GLY  94  15.182  -7.811  -7.811
  620    H    ALA  95           HN       ALA  95  13.205  -4.841  -4.841
  621    HA   ALA  95           HA       ALA  95  13.070  -4.166  -4.166
  622   1HB   ALA  95          2HB       ALA  95  12.458  -2.863  -2.863
  623   2HB   ALA  95          3HB       ALA  95  12.504  -1.834  -1.834
  624   3HB   ALA  95          1HB       ALA  95  11.385  -3.215  -3.215
  625    H    SER  96           HN       SER  96  15.707  -4.044  -4.044
  626    HA   SER  96           HA       SER  96  17.793  -3.518  -3.518
  627   1HB   SER  96          2HB       SER  96  16.785  -2.835  -2.835
  628   2HB   SER  96          3HB       SER  96  16.757  -1.203  -1.203
  629    HG   SER  96           HG       SER  96  19.205  -2.236  -2.236
  630    H    GLY  97           HN       GLY  97  16.561  -2.848  -2.848
  631   1HA   GLY  97          1HA       GLY  97  17.713  -1.341  -1.341
  632   2HA   GLY  97          2HA       GLY  97  17.375  -0.037  -0.037
  633    H    ASN  98           HN       ASN  98  15.867   1.277   1.277
  634    HA   ASN  98           HA       ASN  98  13.774   0.009   0.009
  635   1HB   ASN  98          2HB       ASN  98  14.857   1.955   1.955
  636   2HB   ASN  98          3HB       ASN  98  14.605   2.927   2.927
  637   1HD2  ASN  98          2HD2      ASN  98  11.075   1.772   1.772
  638   2HD2  ASN  98          1HD2      ASN  98  12.280   0.634   0.634
  639    H    ASN  99           HN       ASN  99  14.280   0.453   0.453
  640    HA   ASN  99           HA       ASN  99  12.129   2.043   2.043
  641   1HB   ASN  99          2HB       ASN  99  12.567   0.384   0.384
  642   2HB   ASN  99          3HB       ASN  99  13.546   1.796   1.796
  643   1HD2  ASN  99          2HD2      ASN  99  15.016  -1.718  -1.718
  644   2HD2  ASN  99          1HD2      ASN  99  13.387  -1.193  -1.193
  645    H    PHE 100           HN       PHE 100  10.208   1.117   1.117
  646    HA   PHE 100           HA       PHE 100   9.330  -1.402  -1.402
  647   1HB   PHE 100          2HB       PHE 100   8.012   1.225   1.225
  648   2HB   PHE 100          3HB       PHE 100   7.029  -0.225  -0.225
  649    HD1  PHE 100           HD2      PHE 100   7.577  -1.645  -1.645
  650    HD2  PHE 100           HD1      PHE 100   7.802   2.561   2.561
  651    HE1  PHE 100           HE2      PHE 100   7.235  -1.327  -1.327
  652    HE2  PHE 100           HE1      PHE 100   7.460   2.880   2.880
  653    HZ   PHE 100           HZ       PHE 100   7.181   0.931   0.931
  654    H    VAL 101           HN       VAL 101   7.615  -2.576  -2.576
  655    HA   VAL 101           HA       VAL 101   7.681  -2.089  -2.089
  656    HB   VAL 101           HB       VAL 101   8.764  -4.238  -4.238
  657   1HG1  VAL 101          1HG1      VAL 101   9.925  -1.959  -1.959
  658   2HG1  VAL 101          2HG1      VAL 101  10.694  -2.495  -2.495
  659   3HG1  VAL 101          3HG1      VAL 101  10.974  -3.397  -3.397
  660   1HG2  VAL 101          2HG2      VAL 101   8.475  -5.335  -5.335
  661   2HG2  VAL 101          3HG2      VAL 101  10.144  -5.423  -5.423
  662   3HG2  VAL 101          1HG2      VAL 101   9.726  -4.257  -4.257
  663    H    GLU 102           HN       GLU 102   5.848  -2.948  -2.948
  664    HA   GLU 102           HA       GLU 102   3.869  -3.878  -3.878
  665   1HB   GLU 102          2HB       GLU 102   3.071  -4.825  -4.825
  666   2HB   GLU 102          3HB       GLU 102   2.901  -3.157  -3.157
  667   1HG   GLU 102          2HG       GLU 102   4.802  -2.443  -2.443
  668   2HG   GLU 102          3HG       GLU 102   5.501  -4.050  -4.050
  669    H    CYS 103           HN       CYS 103   3.394  -5.843  -5.843
  670    HA   CYS 103           HA       CYS 103   5.174  -7.930  -7.930
  671   1HB   CYS 103          2HB       CYS 103   2.236  -7.919  -7.919
  672   2HB   CYS 103          3HB       CYS 103   3.300  -9.286  -9.286
  673    H    THR 104           HN       THR 104   3.730 -10.301 -10.301
  674    HA   THR 104           HA       THR 104   3.311 -10.051 -10.051
  675    HB   THR 104           HB       THR 104   4.203 -12.353 -12.353
  676    HG1  THR 104           HG1      THR 104   4.593 -12.017 -12.017
  677   1HG2  THR 104          2HG2      THR 104   5.917 -10.466 -10.466
  678   2HG2  THR 104          3HG2      THR 104   5.928 -10.774 -10.774
  679   3HG2  THR 104          1HG2      THR 104   6.477 -12.035 -12.035

  Start of MODEL   16
    1    H    ALA   1           HN       ALA   1  -8.139 -16.379 -16.379
    2    HA   ALA   1           HA       ALA   1  -9.335 -14.069 -14.069
    3   1HB   ALA   1          3HB       ALA   1  -9.791 -15.390 -15.390
    4   2HB   ALA   1          1HB       ALA   1  -9.494 -13.636 -13.636
    5   3HB   ALA   1          2HB       ALA   1 -10.864 -14.327 -14.327
    6    H    CYS   2           HN       CYS   2  -7.052 -14.307 -14.307
    7    HA   CYS   2           HA       CYS   2  -5.296 -12.916 -12.916
    8   1HB   CYS   2          2HB       CYS   2  -3.641 -15.062 -15.062
    9   2HB   CYS   2          3HB       CYS   2  -4.054 -14.538 -14.538
   10    H    ASP   3           HN       ASP   3  -4.361 -11.448 -11.448
   11    HA   ASP   3           HA       ASP   3  -3.724 -12.401 -12.401
   12   1HB   ASP   3          2HB       ASP   3  -5.546 -10.172 -10.172
   13   2HB   ASP   3          3HB       ASP   3  -4.392  -9.761  -9.761
   14    H    TYR   4           HN       TYR   4  -2.788 -11.055 -11.055
   15    HA   TYR   4           HA       TYR   4  -0.451  -9.792  -9.792
   16   1HB   TYR   4          2HB       TYR   4  -2.233  -8.806  -8.806
   17   2HB   TYR   4          3HB       TYR   4  -0.720  -8.042  -8.042
   18    HD1  TYR   4           HD2      TYR   4  -0.539  -7.160  -7.160
   19    HD2  TYR   4           HD1      TYR   4  -4.238  -8.074  -8.074
   20    HE1  TYR   4           HE2      TYR   4  -1.782  -5.683  -5.683
   21    HE2  TYR   4           HE1      TYR   4  -5.469  -6.593  -6.593
   22    HH   TYR   4           HH       TYR   4  -5.306  -5.516  -5.516
   23    H    THR   5           HN       THR   5   0.836 -11.618 -11.618
   24    HA   THR   5           HA       THR   5   0.974 -12.293 -12.293
   25    HB   THR   5           HB       THR   5   1.766 -13.710 -13.710
   26    HG1  THR   5           HG1      THR   5  -0.461 -13.823 -13.823
   27   1HG2  THR   5          2HG2      THR   5   2.921 -14.024 -14.024
   28   2HG2  THR   5          3HG2      THR   5   1.949 -15.456 -15.456
   29   3HG2  THR   5          1HG2      THR   5   3.280 -14.945 -14.945
   30    H    CYS   6           HN       CYS   6   2.342 -11.022 -11.022
   31    HA   CYS   6           HA       CYS   6   4.630  -9.935  -9.935
   32   1HB   CYS   6          2HB       CYS   6   3.351  -9.595  -9.595
   33   2HB   CYS   6          3HB       CYS   6   5.040  -9.160  -9.160
   34    H    GLY   7           HN       GLY   7   5.311 -12.331 -12.331
   35   1HA   GLY   7          1HA       GLY   7   6.891 -13.901 -13.901
   36   2HA   GLY   7          2HA       GLY   7   7.473 -12.988 -12.988
   37    H    SER   8           HN       SER   8   5.402 -12.948 -12.948
   38    HA   SER   8           HA       SER   8   4.656 -15.746 -15.746
   39   1HB   SER   8          2HB       SER   8   5.364 -15.838 -15.838
   40   2HB   SER   8          3HB       SER   8   6.693 -15.076 -15.076
   41    HG   SER   8           HG       SER   8   5.547 -12.968 -12.968
   42    H    ASN   9           HN       ASN   9   2.839 -14.100 -14.100
   43    HA   ASN   9           HA       ASN   9   1.020 -13.668 -13.668
   44   1HB   ASN   9          2HB       ASN   9   1.421 -11.623 -11.623
   45   2HB   ASN   9          3HB       ASN   9   0.298 -11.474 -11.474
   46   1HD2  ASN   9          1HD2      ASN   9   3.745 -12.173 -12.173
   47   2HD2  ASN   9          2HD2      ASN   9   4.386 -11.176 -11.176
   48    H    CYS  10           HN       CYS  10  -1.234 -12.820 -12.820
   49    HA   CYS  10           HA       CYS  10  -1.598 -13.794 -13.794
   50   1HB   CYS  10          2HB       CYS  10  -1.330 -15.927 -15.927
   51   2HB   CYS  10          3HB       CYS  10  -3.064 -15.675 -15.675
   52    H    TYR  11           HN       TYR  11  -2.303 -11.424 -11.424
   53    HA   TYR  11           HA       TYR  11  -5.154 -11.650 -11.650
   54   1HB   TYR  11          2HB       TYR  11  -4.453  -9.188  -9.188
   55   2HB   TYR  11          3HB       TYR  11  -4.218 -10.608 -10.608
   56    HD1  TYR  11           HD2      TYR  11  -2.194  -9.525  -9.525
   57    HD2  TYR  11           HD1      TYR  11  -2.334 -10.050 -10.050
   58    HE1  TYR  11           HE2      TYR  11   0.291  -9.011  -9.011
   59    HE2  TYR  11           HE1      TYR  11   0.151  -9.536  -9.536
   60    HH   TYR  11           HH       TYR  11   1.832  -8.094  -8.094
   61    H    SER  12           HN       SER  12  -6.082 -11.387 -11.387
   62    HA   SER  12           HA       SER  12  -4.995  -9.742  -9.742
   63   1HB   SER  12          2HB       SER  12  -7.305  -9.966  -9.966
   64   2HB   SER  12          3HB       SER  12  -6.505 -11.477 -11.477
   65    HG   SER  12           HG       SER  12  -8.301 -10.251 -10.251
   66    H    SER  13           HN       SER  13  -6.691  -7.945  -7.945
   67    HA   SER  13           HA       SER  13  -6.447  -5.755  -5.755
   68   1HB   SER  13          2HB       SER  13  -8.419  -4.869  -4.869
   69   2HB   SER  13          3HB       SER  13  -6.885  -5.289  -5.289
   70    HG   SER  13           HG       SER  13  -8.495  -7.520  -7.520
   71    H    SER  14           HN       SER  14  -8.679  -8.386  -8.386
   72    HA   SER  14           HA       SER  14 -10.709  -6.849  -6.849
   73   1HB   SER  14          2HB       SER  14 -11.238  -8.914  -8.914
   74   2HB   SER  14          3HB       SER  14 -10.265  -9.863  -9.863
   75    HG   SER  14           HG       SER  14 -12.838  -9.373  -9.373
   76    H    ASP  15           HN       ASP  15  -7.794  -8.666  -8.666
   77    HA   ASP  15           HA       ASP  15  -8.524  -8.789  -8.789
   78   1HB   ASP  15          2HB       ASP  15  -6.210  -9.627  -9.627
   79   2HB   ASP  15          3HB       ASP  15  -5.834  -9.306  -9.306
   80    H    VAL  16           HN       VAL  16  -6.408  -6.878  -6.878
   81    HA   VAL  16           HA       VAL  16  -4.995  -5.457  -5.457
   82    HB   VAL  16           HB       VAL  16  -5.852  -4.703  -4.703
   83   1HG1  VAL  16          3HG1      VAL  16  -4.110  -3.339  -3.339
   84   2HG1  VAL  16          1HG1      VAL  16  -3.565  -3.352  -3.352
   85   3HG1  VAL  16          2HG1      VAL  16  -5.148  -2.656  -2.656
   86   1HG2  VAL  16          2HG2      VAL  16  -4.386  -6.836  -6.836
   87   2HG2  VAL  16          3HG2      VAL  16  -3.994  -5.787  -5.787
   88   3HG2  VAL  16          1HG2      VAL  16  -3.092  -5.623  -5.623
   89    H    SER  17           HN       SER  17  -8.111  -4.708  -4.708
   90    HA   SER  17           HA       SER  17  -8.661  -2.284  -2.284
   91   1HB   SER  17          2HB       SER  17 -10.187  -3.980  -3.980
   92   2HB   SER  17          3HB       SER  17 -10.677  -4.531  -4.531
   93    HG   SER  17           HG       SER  17 -12.170  -2.958  -2.958
   94    H    THR  18           HN       THR  18  -9.131  -5.223  -5.223
   95    HA   THR  18           HA       THR  18 -10.115  -3.994  -3.994
   96    HB   THR  18           HB       THR  18  -8.503  -6.468  -6.468
   97    HG1  THR  18           HG1      THR  18 -10.932  -5.899  -5.899
   98   1HG2  THR  18          2HG2      THR  18  -8.739  -5.175  -5.175
   99   2HG2  THR  18          3HG2      THR  18  -9.214  -6.889  -6.889
  100   3HG2  THR  18          1HG2      THR  18  -7.575  -6.395  -6.395
  101    H    ALA  19           HN       ALA  19  -6.632  -4.510  -4.510
  102    HA   ALA  19           HA       ALA  19  -5.644  -3.265  -3.265
  103   1HB   ALA  19          1HB       ALA  19  -4.607  -3.967  -3.967
  104   2HB   ALA  19          2HB       ALA  19  -3.625  -2.917  -2.917
  105   3HB   ALA  19          3HB       ALA  19  -4.082  -4.548  -4.548
  106    H    GLN  20           HN       GLN  20  -6.587  -2.010  -2.010
  107    HA   GLN  20           HA       GLN  20  -5.578   0.525   0.525
  108   1HB   GLN  20          2HB       GLN  20  -8.158  -0.145  -0.145
  109   2HB   GLN  20          3HB       GLN  20  -7.033   1.150   1.150
  110   1HG   GLN  20          2HG       GLN  20  -5.334  -0.394  -0.394
  111   2HG   GLN  20          3HG       GLN  20  -6.175  -1.772  -1.772
  112   1HE2  GLN  20          2HE2      GLN  20  -8.075   0.079   0.079
  113   2HE2  GLN  20          1HE2      GLN  20  -7.449   0.978   0.978
  114    H    ALA  21           HN       ALA  21  -8.931  -0.711  -0.711
  115    HA   ALA  21           HA       ALA  21 -10.220   1.455   1.455
  116   1HB   ALA  21          3HB       ALA  21 -10.882  -1.031  -1.031
  117   2HB   ALA  21          1HB       ALA  21 -10.159  -1.033  -1.033
  118   3HB   ALA  21          2HB       ALA  21 -11.538   0.034   0.034
  119    H    ALA  22           HN       ALA  22  -7.571  -0.174  -0.174
  120    HA   ALA  22           HA       ALA  22  -7.845   1.531   1.531
  121   1HB   ALA  22          2HB       ALA  22  -6.205  -0.749  -0.749
  122   2HB   ALA  22          3HB       ALA  22  -5.302   0.433   0.433
  123   3HB   ALA  22          1HB       ALA  22  -6.776  -0.322  -0.322
  124    H    GLY  23           HN       GLY  23  -5.579   1.303   1.303
  125   1HA   GLY  23          1HA       GLY  23  -3.869   3.365   3.365
  126   2HA   GLY  23          2HA       GLY  23  -4.314   2.873   2.873
  127    H    TYR  24           HN       TYR  24  -7.125   3.493   3.493
  128    HA   TYR  24           HA       TYR  24  -6.951   6.309   6.309
  129   1HB   TYR  24          2HB       TYR  24  -8.299   4.393   4.393
  130   2HB   TYR  24          3HB       TYR  24  -9.389   4.441   4.441
  131    HD1  TYR  24           HD1      TYR  24  -8.278   7.722   7.722
  132    HD2  TYR  24           HD2      TYR  24 -10.864   4.837   4.837
  133    HE1  TYR  24           HE1      TYR  24  -9.596   9.591   9.591
  134    HE2  TYR  24           HE2      TYR  24 -12.173   6.716   6.716
  135    HH   TYR  24           HH       TYR  24 -12.502   8.873   8.873
  136    H    LYS  25           HN       LYS  25  -9.271   4.345   4.345
  137    HA   LYS  25           HA       LYS  25 -10.459   6.275   6.275
  138   1HB   LYS  25          2HB       LYS  25 -11.234   4.183   4.183
  139   2HB   LYS  25          3HB       LYS  25  -9.632   3.491   3.491
  140   1HG   LYS  25          2HG       LYS  25 -10.589   5.581   5.581
  141   2HG   LYS  25          3HG       LYS  25 -11.076   3.907   3.907
  142   1HD   LYS  25          2HD       LYS  25  -8.311   3.731   3.731
  143   2HD   LYS  25          3HD       LYS  25  -8.457   5.162   5.162
  144   1HE   LYS  25          2HE       LYS  25  -8.655   3.812   3.812
  145   2HE   LYS  25          3HE       LYS  25 -10.203   3.273   3.273
  146   1HZ   LYS  25          2HZ       LYS  25  -8.586   1.809   1.809
  147   2HZ   LYS  25          3HZ       LYS  25  -7.641   1.971   1.971
  148   3HZ   LYS  25          1HZ       LYS  25  -9.134   1.323   1.323
  149    H    LEU  26           HN       LEU  26  -7.295   4.786   4.786
  150    HA   LEU  26           HA       LEU  26  -6.895   6.571   6.571
  151   1HB   LEU  26          2HB       LEU  26  -5.740   4.552   4.552
  152   2HB   LEU  26          3HB       LEU  26  -5.153   4.706   4.706
  153    HG   LEU  26           HG       LEU  26  -3.587   6.439   6.439
  154   1HD1  LEU  26          2HD1      LEU  26  -5.200   6.459   6.459
  155   2HD1  LEU  26          3HD1      LEU  26  -3.439   6.615   6.615
  156   3HD1  LEU  26          1HD1      LEU  26  -4.314   7.771   7.771
  157   1HD2  LEU  26          1HD2      LEU  26  -3.007   4.007   4.007
  158   2HD2  LEU  26          2HD2      LEU  26  -2.052   5.121   5.121
  159   3HD2  LEU  26          3HD2      LEU  26  -3.366   4.167   4.167
  160    H    HIS  27           HN       HIS  27  -6.132   6.694   6.694
  161    HA   HIS  27           HA       HIS  27  -4.423   8.902   8.902
  162   1HB   HIS  27          2HB       HIS  27  -4.296   7.634   7.634
  163   2HB   HIS  27          3HB       HIS  27  -6.034   7.599   7.599
  164    HD1  HIS  27           HD1      HIS  27  -3.370  10.374  10.374
  165    HD2  HIS  27           HD2      HIS  27  -6.773   9.232   9.232
  166    HE1  HIS  27           HE1      HIS  27  -3.672  12.128  12.128
  167    HE2  HIS  27           HE2      HIS  27  -5.746  11.342  11.342
  168    H    GLU  28           HN       GLU  28  -7.987   8.576   8.576
  169    HA   GLU  28           HA       GLU  28  -8.399  11.303  11.303
  170   1HB   GLU  28          2HB       GLU  28 -10.702  10.013  10.013
  171   2HB   GLU  28          3HB       GLU  28 -10.500  10.587  10.587
  172   1HG   GLU  28          2HG       GLU  28  -9.211   8.457   8.457
  173   2HG   GLU  28          3HG       GLU  28  -9.592   7.883   7.883
  174    H    ASP  29           HN       ASP  29  -7.802   9.359   9.359
  175    HA   ASP  29           HA       ASP  29  -8.995  11.250  11.250
  176   1HB   ASP  29          2HB       ASP  29  -7.091   8.927   8.927
  177   2HB   ASP  29          3HB       ASP  29  -7.991   9.806   9.806
  178    H    GLY  30           HN       GLY  30  -5.925  10.665  10.665
  179   1HA   GLY  30          1HA       GLY  30  -4.086  11.990  11.990
  180   2HA   GLY  30          2HA       GLY  30  -4.785  13.071  13.071
  181    H    GLU  31           HN       GLU  31  -4.694   9.622   9.622
  182    HA   GLU  31           HA       GLU  31  -2.674  10.236  10.236
  183   1HB   GLU  31          2HB       GLU  31  -4.967   8.304   8.304
  184   2HB   GLU  31          3HB       GLU  31  -3.571   7.801   7.801
  185   1HG   GLU  31          2HG       GLU  31  -4.883  10.520  10.520
  186   2HG   GLU  31          3HG       GLU  31  -5.429   9.092   9.092
  187    H    THR  32           HN       THR  32  -1.359   8.038   8.038
  188    HA   THR  32           HA       THR  32  -0.492   6.837   6.837
  189    HB   THR  32           HB       THR  32   1.843   7.100   7.100
  190    HG1  THR  32           HG1      THR  32   1.695   7.117   7.117
  191   1HG2  THR  32          2HG2      THR  32   0.172   9.292   9.292
  192   2HG2  THR  32          3HG2      THR  32   1.077   9.834   9.834
  193   3HG2  THR  32          1HG2      THR  32   1.952   9.268   9.268
  194    H    VAL  33           HN       VAL  33   1.231   4.959   4.959
  195    HA   VAL  33           HA       VAL  33  -0.050   3.491   3.491
  196    HB   VAL  33           HB       VAL  33  -0.220   1.502   1.502
  197   1HG1  VAL  33          1HG1      VAL  33  -1.782   3.811   3.811
  198   2HG1  VAL  33          2HG1      VAL  33  -1.541   3.121   3.121
  199   3HG1  VAL  33          3HG1      VAL  33  -2.243   2.123   2.123
  200   1HG2  VAL  33          1HG2      VAL  33   0.903   3.138   3.138
  201   2HG2  VAL  33          2HG2      VAL  33   1.716   1.799   1.799
  202   3HG2  VAL  33          3HG2      VAL  33   0.257   1.485   1.485
  203    H    GLY  34           HN       GLY  34   1.435   2.614   2.614
  204   1HA   GLY  34          1HA       GLY  34   3.390   1.720   1.720
  205   2HA   GLY  34          2HA       GLY  34   3.970   1.663   1.663
  206    H    SER  35           HN       SER  35   6.036   2.547   2.547
  207    HA   SER  35           HA       SER  35   6.106   5.136   5.136
  208   1HB   SER  35          2HB       SER  35   8.078   2.950   2.950
  209   2HB   SER  35          3HB       SER  35   8.720   4.580   4.580
  210    HG   SER  35           HG       SER  35   7.108   4.429   4.429
  211    H    ASN  36           HN       ASN  36   5.941   3.686   3.686
  212    HA   ASN  36           HA       ASN  36   7.552   5.549   5.549
  213   1HB   ASN  36          2HB       ASN  36   5.760   3.276   3.276
  214   2HB   ASN  36          3HB       ASN  36   5.689   4.550   4.550
  215   1HD2  ASN  36          2HD2      ASN  36   8.325   2.514   2.514
  216   2HD2  ASN  36          1HD2      ASN  36   6.602   2.656   2.656
  217    H    SER  37           HN       SER  37   5.830   6.322   6.322
  218    HA   SER  37           HA       SER  37   3.839   7.939   7.939
  219   1HB   SER  37          2HB       SER  37   4.498   9.880   9.880
  220   2HB   SER  37          3HB       SER  37   6.047   9.089   9.089
  221    HG   SER  37           HG       SER  37   4.444   9.305   9.305
  222    H    TYR  38           HN       TYR  38   3.208   5.425   5.425
  223    HA   TYR  38           HA       TYR  38   2.115   5.953   5.953
  224   1HB   TYR  38          2HB       TYR  38   2.402   3.512   3.512
  225   2HB   TYR  38          3HB       TYR  38   1.641   3.411   3.411
  226    HD1  TYR  38           HD2      TYR  38   4.713   5.320   5.320
  227    HD2  TYR  38           HD1      TYR  38   3.083   2.003   2.003
  228    HE1  TYR  38           HE2      TYR  38   6.979   4.894   4.894
  229    HE2  TYR  38           HE1      TYR  38   5.353   1.589   1.589
  230    HH   TYR  38           HH       TYR  38   8.189   3.173   3.173
  231    HA   PRO  39           HA       PRO  39   0.722   5.023   5.023
  232   1HB   PRO  39          2HB       PRO  39  -1.340   6.075   6.075
  233   2HB   PRO  39          3HB       PRO  39  -1.294   4.404   4.404
  234   1HG   PRO  39          2HG       PRO  39  -2.901   6.643   6.643
  235   2HG   PRO  39          3HG       PRO  39  -3.140   4.919   4.919
  236   1HD   PRO  39          2HD       PRO  39  -2.043   6.751   6.751
  237   2HD   PRO  39          3HD       PRO  39  -2.176   5.011   5.011
  238    H    HIS  40           HN       HIS  40   0.592   6.602   6.602
  239    HA   HIS  40           HA       HIS  40   0.737   9.298   9.298
  240   1HB   HIS  40          2HB       HIS  40   3.075   9.793   9.793
  241   2HB   HIS  40          3HB       HIS  40   2.600   8.740   8.740
  242    HD1  HIS  40           HD1      HIS  40   4.493   8.654   8.654
  243    HD2  HIS  40           HD2      HIS  40   3.985   6.338   6.338
  244    HE1  HIS  40           HE1      HIS  40   6.223   6.783   6.783
  245    HE2  HIS  40           HE2      HIS  40   5.898   5.425   5.425
  246    H    LYS  41           HN       LYS  41   1.803  10.474  10.474
  247    HA   LYS  41           HA       LYS  41   0.928   9.470   9.470
  248   1HB   LYS  41          2HB       LYS  41   2.062  11.804  11.804
  249   2HB   LYS  41          3HB       LYS  41   3.335  11.179  11.179
  250   1HG   LYS  41          2HG       LYS  41   1.700  10.883  10.883
  251   2HG   LYS  41          3HG       LYS  41   0.409  11.471  11.471
  252   1HD   LYS  41          2HD       LYS  41   2.900  13.136  13.136
  253   2HD   LYS  41          3HD       LYS  41   1.514  13.174  13.174
  254   1HE   LYS  41          2HE       LYS  41   0.067  13.756  13.756
  255   2HE   LYS  41          3HE       LYS  41   1.544  13.912  13.912
  256   1HZ   LYS  41          3HZ       LYS  41   1.467  15.348  15.348
  257   2HZ   LYS  41          1HZ       LYS  41   0.473  15.902  15.902
  258   3HZ   LYS  41          2HZ       LYS  41   2.081  15.800  15.800
  259    H    TYR  42           HN       TYR  42   2.252   8.829   8.829
  260    HA   TYR  42           HA       TYR  42   4.720   7.455   7.455
  261   1HB   TYR  42          2HB       TYR  42   3.094   5.737   5.737
  262   2HB   TYR  42          3HB       TYR  42   2.014   6.174   6.174
  263    HD1  TYR  42           HD1      TYR  42   2.873   5.745   5.745
  264    HD2  TYR  42           HD2      TYR  42   4.577   3.938   3.938
  265    HE1  TYR  42           HE1      TYR  42   3.880   3.906   3.906
  266    HE2  TYR  42           HE2      TYR  42   5.580   2.106   2.106
  267    HH   TYR  42           HH       TYR  42   6.166   1.645   1.645
  268    H    ASN  43           HN       ASN  43   2.022   8.177   8.177
  269    HA   ASN  43           HA       ASN  43   2.003   8.714   8.714
  270   1HB   ASN  43          2HB       ASN  43   4.781   9.508   9.508
  271   2HB   ASN  43          3HB       ASN  43   4.535   9.326   9.326
  272   1HD2  ASN  43          2HD2      ASN  43   2.328  12.131  12.131
  273   2HD2  ASN  43          1HD2      ASN  43   2.870  10.657  10.657
  274    H    ASN  44           HN       ASN  44   5.419   7.790   7.790
  275    HA   ASN  44           HA       ASN  44   5.513   5.203   5.203
  276   1HB   ASN  44          2HB       ASN  44   4.654   4.445   4.445
  277   2HB   ASN  44          3HB       ASN  44   3.363   5.398   5.398
  278   1HD2  ASN  44          2HD2      ASN  44   5.341   6.553   6.553
  279   2HD2  ASN  44          1HD2      ASN  44   5.841   5.215   5.215
  280    H    TYR  45           HN       TYR  45   7.059   4.479   4.479
  281    HA   TYR  45           HA       TYR  45   8.349   6.394   6.394
  282   1HB   TYR  45          2HB       TYR  45   9.199   5.988   5.988
  283   2HB   TYR  45          3HB       TYR  45  10.517   5.932   5.932
  284    HD1  TYR  45           HD1      TYR  45   8.148   8.030   8.030
  285    HD2  TYR  45           HD2      TYR  45  10.992   7.961   7.961
  286    HE1  TYR  45           HE1      TYR  45   8.240  10.571  10.571
  287    HE2  TYR  45           HE2      TYR  45  11.075  10.502  10.502
  288    HH   TYR  45           HH       TYR  45   9.386  12.332  12.332
  289    H    GLU  46           HN       GLU  46   8.980   3.501   3.501
  290    HA   GLU  46           HA       GLU  46  10.928   2.335   2.335
  291   1HB   GLU  46          2HB       GLU  46   8.531   1.046   1.046
  292   2HB   GLU  46          3HB       GLU  46   9.903   0.124   0.124
  293   1HG   GLU  46          2HG       GLU  46   9.676   1.428   1.428
  294   2HG   GLU  46          3HG       GLU  46  11.108   0.658   0.658
  295    H    GLY  47           HN       GLY  47   7.696   3.000   3.000
  296   1HA   GLY  47          1HA       GLY  47   7.358   2.896   2.896
  297   2HA   GLY  47          2HA       GLY  47   8.175   1.346   1.346
  298    H    PHE  48           HN       PHE  48   5.553   2.787   2.787
  299    HA   PHE  48           HA       PHE  48   4.104   0.279   0.279
  300   1HB   PHE  48          2HB       PHE  48   3.759   2.822   2.822
  301   2HB   PHE  48          3HB       PHE  48   2.717   1.420   1.420
  302    HD1  PHE  48           HD2      PHE  48   3.701  -0.753  -0.753
  303    HD2  PHE  48           HD1      PHE  48   5.854   2.901   2.901
  304    HE1  PHE  48           HE2      PHE  48   5.277  -1.752  -1.752
  305    HE2  PHE  48           HE1      PHE  48   7.430   1.902   1.902
  306    HZ   PHE  48           HZ       PHE  48   7.123  -0.412  -0.412
  307    H    ASP  49           HN       ASP  49   2.179   0.073   0.073
  308    HA   ASP  49           HA       ASP  49   1.416   2.382   2.382
  309   1HB   ASP  49          2HB       ASP  49  -0.032  -0.255  -0.255
  310   2HB   ASP  49          3HB       ASP  49   0.358   0.875   0.875
  311    H    PHE  50           HN       PHE  50   0.748   3.090   3.090
  312    HA   PHE  50           HA       PHE  50  -1.535   1.990   1.990
  313   1HB   PHE  50          2HB       PHE  50  -0.255   4.783   4.783
  314   2HB   PHE  50          3HB       PHE  50  -1.603   4.411   4.411
  315    HD1  PHE  50           HD1      PHE  50   0.188   1.462   1.462
  316    HD2  PHE  50           HD2      PHE  50   0.453   5.340   5.340
  317    HE1  PHE  50           HE1      PHE  50   1.785   0.593   0.593
  318    HE2  PHE  50           HE2      PHE  50   2.049   4.470   4.470
  319    HZ   PHE  50           HZ       PHE  50   2.695   2.107   2.107
  320    H    SER  51           HN       SER  51  -3.239   1.619   1.619
  321    HA   SER  51           HA       SER  51  -4.061   3.624   3.624
  322   1HB   SER  51          2HB       SER  51  -5.957   2.111   2.111
  323   2HB   SER  51          3HB       SER  51  -4.447   1.225   1.225
  324    HG   SER  51           HG       SER  51  -6.230   1.437   1.437
  325    H    VAL  52           HN       VAL  52  -3.903   4.321   4.321
  326    HA   VAL  52           HA       VAL  52  -6.718   5.083   5.083
  327    HB   VAL  52           HB       VAL  52  -6.263   5.124   5.124
  328   1HG1  VAL  52          2HG1      VAL  52  -6.819   2.953   2.953
  329   2HG1  VAL  52          3HG1      VAL  52  -5.170   2.467   2.467
  330   3HG1  VAL  52          1HG1      VAL  52  -6.374   2.835   2.835
  331   1HG2  VAL  52          3HG2      VAL  52  -3.473   4.924   4.924
  332   2HG2  VAL  52          1HG2      VAL  52  -4.149   5.554   5.554
  333   3HG2  VAL  52          2HG2      VAL  52  -3.876   3.806   3.806
  334    H    SER  53           HN       SER  53  -7.017   7.233   7.233
  335    HA   SER  53           HA       SER  53  -5.191   9.080   9.080
  336   1HB   SER  53          2HB       SER  53  -7.779   9.230   9.230
  337   2HB   SER  53          3HB       SER  53  -7.673   9.761   9.761
  338    HG   SER  53           HG       SER  53  -6.061  11.419  11.419
  339    H    SER  54           HN       SER  54  -3.873  10.570  10.570
  340    HA   SER  54           HA       SER  54  -3.100   9.748   9.748
  341   1HB   SER  54          2HB       SER  54  -1.345  11.235  11.235
  342   2HB   SER  54          3HB       SER  54  -1.819  11.051  11.051
  343    HG   SER  54           HG       SER  54  -1.776  13.237  13.237
  344    HA   PRO  55           HA       PRO  55  -1.802  11.429  11.429
  345   1HB   PRO  55          2HB       PRO  55  -1.533  11.657  11.657
  346   2HB   PRO  55          3HB       PRO  55  -1.310  13.002  13.002
  347   1HG   PRO  55          2HG       PRO  55  -3.591  12.433  12.433
  348   2HG   PRO  55          3HG       PRO  55  -3.152  13.943  13.943
  349   1HD   PRO  55          2HD       PRO  55  -5.252  12.158  12.158
  350   2HD   PRO  55          3HD       PRO  55  -4.738  13.608  13.608
  351    H    TYR  56           HN       TYR  56  -0.460   9.686   9.686
  352    HA   TYR  56           HA       TYR  56  -2.212   7.393   7.393
  353   1HB   TYR  56          2HB       TYR  56   0.737   7.810   7.810
  354   2HB   TYR  56          3HB       TYR  56   0.022   6.222   6.222
  355    HD1  TYR  56           HD1      TYR  56  -2.695   6.853   6.853
  356    HD2  TYR  56           HD2      TYR  56   1.316   7.697   7.697
  357    HE1  TYR  56           HE1      TYR  56  -3.438   6.891   6.891
  358    HE2  TYR  56           HE2      TYR  56   0.559   7.732   7.732
  359    HH   TYR  56           HH       TYR  56  -1.602   6.482   6.482
  360    H    TYR  57           HN       TYR  57  -2.405   6.570   6.570
  361    HA   TYR  57           HA       TYR  57  -0.400   7.386   7.386
  362   1HB   TYR  57          2HB       TYR  57  -3.160   6.024   6.024
  363   2HB   TYR  57          3HB       TYR  57  -2.256   6.636   6.636
  364    HD1  TYR  57           HD2      TYR  57  -1.400   9.136   9.136
  365    HD2  TYR  57           HD1      TYR  57  -5.047   7.450   7.450
  366    HE1  TYR  57           HE2      TYR  57  -2.550  11.390  11.390
  367    HE2  TYR  57           HE1      TYR  57  -6.185   9.710   9.710
  368    HH   TYR  57           HH       TYR  57  -5.126  12.062  12.062
  369    H    GLU  58           HN       GLU  58   0.993   5.945   5.945
  370    HA   GLU  58           HA       GLU  58   0.701   3.200   3.200
  371   1HB   GLU  58          2HB       GLU  58   3.101   2.983   2.983
  372   2HB   GLU  58          3HB       GLU  58   2.851   4.193   4.193
  373   1HG   GLU  58          2HG       GLU  58   2.996   6.008   6.008
  374   2HG   GLU  58          3HG       GLU  58   2.903   4.903   4.903
  375    H    TRP  59           HN       TRP  59   0.317   1.513   1.513
  376    HA   TRP  59           HA       TRP  59   0.646   2.023   2.023
  377   1HB   TRP  59          2HB       TRP  59  -1.575   2.743   2.743
  378   2HB   TRP  59          3HB       TRP  59  -1.991   1.485   1.485
  379    HD1  TRP  59           HD1      TRP  59  -2.845  -0.828  -0.828
  380    HE1  TRP  59           HE1      TRP  59  -3.391  -1.773  -1.773
  381    HE3  TRP  59           HE3      TRP  59  -0.674   2.985   2.985
  382    HZ2  TRP  59           HZ2      TRP  59  -2.865  -0.842  -0.842
  383    HZ3  TRP  59           HZ3      TRP  59  -0.734   2.890   2.890
  384    HH2  TRP  59           HH2      TRP  59  -1.781   1.061   1.061
  385    HA   PRO  60           HA       PRO  60   1.909  -2.121  -2.121
  386   1HB   PRO  60          2HB       PRO  60   1.951  -2.860  -2.860
  387   2HB   PRO  60          3HB       PRO  60   3.241  -1.948  -1.948
  388   1HG   PRO  60          2HG       PRO  60   1.151  -1.001  -1.001
  389   2HG   PRO  60          3HG       PRO  60   2.668  -0.236  -0.236
  390   1HD   PRO  60          2HD       PRO  60   0.056   0.485   0.485
  391   2HD   PRO  60          3HD       PRO  60   1.583   1.172   1.172
  392    H    ILE  61           HN       ILE  61   1.264  -4.292  -4.292
  393    HA   ILE  61           HA       ILE  61  -1.562  -4.571  -4.571
  394    HB   ILE  61           HB       ILE  61  -1.169  -4.390  -4.390
  395   1HG1  ILE  61          2HG1      ILE  61  -2.236  -7.012  -7.012
  396   2HG1  ILE  61          3HG1      ILE  61  -3.135  -5.536  -5.536
  397   1HG2  ILE  61          3HG2      ILE  61   1.107  -5.628  -5.628
  398   2HG2  ILE  61          1HG2      ILE  61   0.122  -7.103  -7.103
  399   3HG2  ILE  61          2HG2      ILE  61   0.104  -5.877  -5.877
  400   1HD1  ILE  61          2HD1      ILE  61  -2.398  -5.737  -5.737
  401   2HD1  ILE  61          3HD1      ILE  61  -1.880  -7.390  -7.390
  402   3HD1  ILE  61          1HD1      ILE  61  -3.590  -6.925  -6.925
  403    H    LEU  62           HN       LEU  62  -1.884  -5.992  -5.992
  404    HA   LEU  62           HA       LEU  62   0.280  -7.799  -7.799
  405   1HB   LEU  62          2HB       LEU  62  -2.297  -7.047  -7.047
  406   2HB   LEU  62          3HB       LEU  62  -1.202  -8.275  -8.275
  407    HG   LEU  62           HG       LEU  62  -0.410  -5.387  -5.387
  408   1HD1  LEU  62          1HD1      LEU  62  -1.364  -6.766  -6.766
  409   2HD1  LEU  62          2HD1      LEU  62  -0.506  -5.206  -5.206
  410   3HD1  LEU  62          3HD1      LEU  62  -2.087  -5.363  -5.363
  411   1HD2  LEU  62          2HD2      LEU  62   1.004  -7.804  -7.804
  412   2HD2  LEU  62          3HD2      LEU  62   1.592  -6.500  -6.500
  413   3HD2  LEU  62          1HD2      LEU  62   1.392  -6.207  -6.207
  414    H    SER  63           HN       SER  63   0.389  -9.831  -9.831
  415    HA   SER  63           HA       SER  63  -1.560 -10.854 -10.854
  416   1HB   SER  63          2HB       SER  63   0.575 -12.366 -12.366
  417   2HB   SER  63          3HB       SER  63  -0.286 -12.989 -12.989
  418    HG   SER  63           HG       SER  63   0.838 -11.685 -11.685
  419    H    SER  64           HN       SER  64  -1.610 -10.460 -10.460
  420    HA   SER  64           HA       SER  64  -3.100 -12.854 -12.854
  421   1HB   SER  64          2HB       SER  64  -2.916 -10.608 -10.608
  422   2HB   SER  64          3HB       SER  64  -2.852 -12.338 -12.338
  423    HG   SER  64           HG       SER  64  -0.782 -10.781 -10.781
  424    H    GLY  65           HN       GLY  65  -3.647  -9.581  -9.581
  425   1HA   GLY  65          1HA       GLY  65  -5.647  -8.746  -8.746
  426   2HA   GLY  65          2HA       GLY  65  -6.523 -10.012 -10.012
  427    H    ASP  66           HN       ASP  66  -3.993  -7.923  -7.923
  428    HA   ASP  66           HA       ASP  66  -6.108  -6.854  -6.854
  429   1HB   ASP  66          2HB       ASP  66  -3.158  -7.412  -7.412
  430   2HB   ASP  66          3HB       ASP  66  -4.084  -6.370  -6.370
  431    H    VAL  67           HN       VAL  67  -4.754  -4.688  -4.688
  432    HA   VAL  67           HA       VAL  67  -4.109  -3.049  -3.049
  433    HB   VAL  67           HB       VAL  67  -5.470  -2.458  -2.458
  434   1HG1  VAL  67          3HG1      VAL  67  -3.712  -0.732  -0.732
  435   2HG1  VAL  67          1HG1      VAL  67  -4.525  -0.374  -0.374
  436   3HG1  VAL  67          2HG1      VAL  67  -5.374  -0.094  -0.094
  437   1HG2  VAL  67          1HG2      VAL  67  -6.226  -2.192  -2.192
  438   2HG2  VAL  67          2HG2      VAL  67  -7.004  -3.180  -3.180
  439   3HG2  VAL  67          3HG2      VAL  67  -7.141  -1.406  -1.406
  440    H    TYR  68           HN       TYR  68  -1.949  -2.779  -2.779
  441    HA   TYR  68           HA       TYR  68   0.011  -3.423  -3.423
  442   1HB   TYR  68          2HB       TYR  68   0.359  -2.574  -2.574
  443   2HB   TYR  68          3HB       TYR  68  -0.394  -1.041  -1.041
  444    HD1  TYR  68           HD2      TYR  68   2.371  -3.037  -3.037
  445    HD2  TYR  68           HD1      TYR  68   1.141   0.687   0.687
  446    HE1  TYR  68           HE2      TYR  68   4.653  -2.040  -2.040
  447    HE2  TYR  68           HE1      TYR  68   3.427   1.671   1.671
  448    HH   TYR  68           HH       TYR  68   5.299   1.380   1.380
  449    H    SER  69           HN       SER  69   1.275  -2.450  -2.450
  450    HA   SER  69           HA       SER  69   0.540   0.139   0.139
  451   1HB   SER  69          2HB       SER  69  -0.015  -0.655  -0.655
  452   2HB   SER  69          3HB       SER  69  -1.222  -1.068  -1.068
  453    HG   SER  69           HG       SER  69  -0.616  -2.842  -2.842
  454    H    GLY  70           HN       GLY  70   2.906  -0.041  -0.041
  455   1HA   GLY  70          1HA       GLY  70   4.660  -0.139  -0.139
  456   2HA   GLY  70          2HA       GLY  70   4.921  -1.474  -1.474
  457    H    GLY  71           HN       GLY  71   6.927  -0.837  -0.837
  458   1HA   GLY  71          1HA       GLY  71   6.871   1.668   1.668
  459   2HA   GLY  71          2HA       GLY  71   8.260   1.172   1.172
  460    H    SER  72           HN       SER  72   7.932  -1.740  -1.740
  461    HA   SER  72           HA       SER  72   8.734  -1.648  -1.648
  462   1HB   SER  72          2HB       SER  72  10.102  -3.741  -3.741
  463   2HB   SER  72          3HB       SER  72  10.687  -2.204  -2.204
  464    HG   SER  72           HG       SER  72  10.690  -3.830  -3.830
  465    HA   PRO  73           HA       PRO  73   5.111  -4.326  -4.326
  466   1HB   PRO  73          2HB       PRO  73   3.906  -3.425  -3.425
  467   2HB   PRO  73          3HB       PRO  73   3.563  -2.770  -2.770
  468   1HG   PRO  73          2HG       PRO  73   5.168  -1.590  -1.590
  469   2HG   PRO  73          3HG       PRO  73   4.466  -0.798  -0.798
  470   1HD   PRO  73          2HD       PRO  73   7.221  -1.509  -1.509
  471   2HD   PRO  73          3HD       PRO  73   6.499  -0.823  -0.823
  472    H    GLY  74           HN       GLY  74   7.641  -5.202  -5.202
  473   1HA   GLY  74          1HA       GLY  74   8.504  -6.981  -6.981
  474   2HA   GLY  74          2HA       GLY  74   6.940  -7.279  -7.279
  475    H    ALA  75           HN       ALA  75   6.542  -6.648  -6.648
  476    HA   ALA  75           HA       ALA  75   8.325  -4.734  -4.734
  477   1HB   ALA  75          1HB       ALA  75   8.224  -7.678  -7.678
  478   2HB   ALA  75          2HB       ALA  75   8.769  -6.424  -6.424
  479   3HB   ALA  75          3HB       ALA  75   9.650  -6.684  -6.684
  480    H    ASP  76           HN       ASP  76   5.546  -6.996  -6.996
  481    HA   ASP  76           HA       ASP  76   4.462  -6.141  -6.141
  482   1HB   ASP  76          2HB       ASP  76   2.780  -6.872  -6.872
  483   2HB   ASP  76          3HB       ASP  76   2.439  -7.204  -7.204
  484    H    ARG  77           HN       ARG  77   3.308  -4.261  -4.261
  485    HA   ARG  77           HA       ARG  77   2.142  -2.726  -2.726
  486   1HB   ARG  77          2HB       ARG  77   4.007  -1.374  -1.374
  487   2HB   ARG  77          3HB       ARG  77   3.256  -0.640  -0.640
  488   1HG   ARG  77          2HG       ARG  77   4.924  -3.050  -3.050
  489   2HG   ARG  77          3HG       ARG  77   5.810  -1.664  -1.664
  490   1HD   ARG  77          2HD       ARG  77   4.273  -0.378  -0.378
  491   2HD   ARG  77          3HD       ARG  77   4.271  -1.965  -1.965
  492    HE   ARG  77           HE       ARG  77   6.580  -0.168  -0.168
  493   1HH1  ARG  77           HH2      ARG  77   5.518  -3.466  -3.466
  494   2HH1  ARG  77           HH2      ARG  77   6.989  -3.928  -3.928
  495   1HH2  ARG  77           HH1      ARG  77   8.520  -0.776  -0.776
  496   2HH2  ARG  77           HH1      ARG  77   8.708  -2.387  -2.387
  497    H    VAL  78           HN       VAL  78   0.367  -1.412  -1.412
  498    HA   VAL  78           HA       VAL  78  -0.321  -1.885  -1.885
  499    HB   VAL  78           HB       VAL  78  -2.076  -2.852  -2.852
  500   1HG1  VAL  78          1HG1      VAL  78  -0.918  -2.616  -2.616
  501   2HG1  VAL  78          2HG1      VAL  78  -1.874  -1.134  -1.134
  502   3HG1  VAL  78          3HG1      VAL  78  -2.695  -2.701  -2.701
  503   1HG2  VAL  78          2HG2      VAL  78  -2.598  -0.031  -0.031
  504   2HG2  VAL  78          3HG2      VAL  78  -3.667  -1.426  -1.426
  505   3HG2  VAL  78          1HG2      VAL  78  -3.593  -0.677  -0.677
  506    H    VAL  79           HN       VAL  79  -0.945  -0.142  -0.142
  507    HA   VAL  79           HA       VAL  79  -0.590   2.489   2.489
  508    HB   VAL  79           HB       VAL  79   0.210   1.493   1.493
  509   1HG1  VAL  79          3HG1      VAL  79  -0.789   3.998   3.998
  510   2HG1  VAL  79          1HG1      VAL  79   0.951   4.249   4.249
  511   3HG1  VAL  79          2HG1      VAL  79   0.387   3.595   3.595
  512   1HG2  VAL  79          3HG2      VAL  79   1.604   1.292   1.292
  513   2HG2  VAL  79          1HG2      VAL  79   2.360   1.490   1.490
  514   3HG2  VAL  79          2HG2      VAL  79   2.126   2.905   2.905
  515    H    PHE  80           HN       PHE  80  -2.201   3.995   3.995
  516    HA   PHE  80           HA       PHE  80  -4.176   3.466   3.466
  517   1HB   PHE  80          2HB       PHE  80  -6.001   3.553   3.553
  518   2HB   PHE  80          3HB       PHE  80  -4.880   2.294   2.294
  519    HD1  PHE  80           HD2      PHE  80  -2.943   3.133   3.133
  520    HD2  PHE  80           HD1      PHE  80  -6.696   5.049   5.049
  521    HE1  PHE  80           HE2      PHE  80  -2.687   4.214   4.214
  522    HE2  PHE  80           HE1      PHE  80  -6.440   6.131   6.131
  523    HZ   PHE  80           HZ       PHE  80  -4.438   5.701   5.701
  524    H    ASN  81           HN       ASN  81  -6.093   5.380   5.380
  525    HA   ASN  81           HA       ASN  81  -4.463   7.787   7.787
  526   1HB   ASN  81          2HB       ASN  81  -7.066   7.894   7.894
  527   2HB   ASN  81          3HB       ASN  81  -5.586   8.788   8.788
  528   1HD2  ASN  81          2HD2      ASN  81  -6.028   4.914   4.914
  529   2HD2  ASN  81          1HD2      ASN  81  -6.875   5.473   5.473
  530    H    GLU  82           HN       GLU  82  -6.780   9.577   9.577
  531    HA   GLU  82           HA       GLU  82  -7.799   8.965   8.965
  532   1HB   GLU  82          2HB       GLU  82  -6.814  11.277  11.277
  533   2HB   GLU  82          3HB       GLU  82  -8.498  11.518  11.518
  534   1HG   GLU  82          2HG       GLU  82  -8.083  10.501  10.501
  535   2HG   GLU  82          3HG       GLU  82  -7.379  12.079  12.079
  536    H    ASN  83           HN       ASN  83  -8.679   7.696   7.696
  537    HA   ASN  83           HA       ASN  83 -11.449   8.557   8.557
  538   1HB   ASN  83          2HB       ASN  83 -11.112   6.609   6.609
  539   2HB   ASN  83          3HB       ASN  83 -11.232   8.342   8.342
  540   1HD2  ASN  83          2HD2      ASN  83  -7.723   6.320   6.320
  541   2HD2  ASN  83          1HD2      ASN  83  -9.217   5.577   5.577
  542    H    ASN  84           HN       ASN  84  -9.180   5.874   5.874
  543    HA   ASN  84           HA       ASN  84  -9.751   4.316   4.316
  544   1HB   ASN  84          2HB       ASN  84 -11.945   3.389   3.389
  545   2HB   ASN  84          3HB       ASN  84 -12.240   5.079   5.079
  546   1HD2  ASN  84          2HD2      ASN  84 -12.599   3.903   3.903
  547   2HD2  ASN  84          1HD2      ASN  84 -11.264   4.611   4.611
  548    H    GLN  85           HN       GLN  85  -8.822   4.548   4.548
  549    HA   GLN  85           HA       GLN  85  -9.520   1.927   1.927
  550   1HB   GLN  85          2HB       GLN  85  -8.001   4.273   4.273
  551   2HB   GLN  85          3HB       GLN  85  -8.091   2.716   2.716
  552   1HG   GLN  85          2HG       GLN  85 -10.555   2.835   2.835
  553   2HG   GLN  85          3HG       GLN  85 -10.541   4.317   4.317
  554   1HE2  GLN  85          2HE2      GLN  85  -9.253   6.393   6.393
  555   2HE2  GLN  85          1HE2      GLN  85  -9.144   6.099   6.099
  556    H    LEU  86           HN       LEU  86  -7.220   1.151   1.151
  557    HA   LEU  86           HA       LEU  86  -5.140   1.065   1.065
  558   1HB   LEU  86          2HB       LEU  86  -6.417  -0.930  -0.930
  559   2HB   LEU  86          3HB       LEU  86  -6.414  -1.293  -1.293
  560    HG   LEU  86           HG       LEU  86  -4.840  -2.610  -2.610
  561   1HD1  LEU  86          3HD1      LEU  86  -3.823  -1.333  -1.333
  562   2HD1  LEU  86          1HD1      LEU  86  -3.100  -2.756  -2.756
  563   3HD1  LEU  86          2HD1      LEU  86  -4.761  -2.839  -2.839
  564   1HD2  LEU  86          1HD2      LEU  86  -3.994  -0.327  -0.327
  565   2HD2  LEU  86          2HD2      LEU  86  -2.875  -1.696  -1.696
  566   3HD2  LEU  86          3HD2      LEU  86  -2.891  -0.374  -0.374
  567    H    ALA  87           HN       ALA  87  -3.171   1.570   1.570
  568    HA   ALA  87           HA       ALA  87  -2.955   2.111   2.111
  569   1HB   ALA  87          1HB       ALA  87  -1.724   2.952   2.952
  570   2HB   ALA  87          2HB       ALA  87  -0.451   2.050   2.050
  571   3HB   ALA  87          3HB       ALA  87  -1.264   3.418   3.418
  572    H    GLY  88           HN       GLY  88  -2.096  -0.541  -0.541
  573   1HA   GLY  88          1HA       GLY  88  -1.983  -2.561  -2.561
  574   2HA   GLY  88          2HA       GLY  88  -0.397  -1.843  -1.843
  575    H    VAL  89           HN       VAL  89   0.722  -3.649  -3.649
  576    HA   VAL  89           HA       VAL  89   0.565  -3.710  -3.710
  577    HB   VAL  89           HB       VAL  89   0.164  -6.015  -6.015
  578   1HG1  VAL  89          3HG1      VAL  89   2.133  -6.534  -6.534
  579   2HG1  VAL  89          1HG1      VAL  89   1.086  -6.306  -6.306
  580   3HG1  VAL  89          2HG1      VAL  89   0.737  -7.609  -7.609
  581   1HG2  VAL  89          2HG2      VAL  89  -1.614  -4.595  -4.595
  582   2HG2  VAL  89          3HG2      VAL  89  -1.815  -6.326  -6.326
  583   3HG2  VAL  89          1HG2      VAL  89  -1.166  -5.818  -5.818
  584    H    ILE  90           HN       ILE  90   2.529  -2.639  -2.639
  585    HA   ILE  90           HA       ILE  90   4.787  -3.675  -3.675
  586    HB   ILE  90           HB       ILE  90   5.922  -1.712  -1.712
  587   1HG1  ILE  90          2HG1      ILE  90   4.282  -1.812  -1.812
  588   2HG1  ILE  90          3HG1      ILE  90   5.788  -0.962  -0.962
  589   1HG2  ILE  90          1HG2      ILE  90   3.865  -1.599  -1.599
  590   2HG2  ILE  90          2HG2      ILE  90   3.135  -0.632  -0.632
  591   3HG2  ILE  90          3HG2      ILE  90   4.649  -0.095  -0.095
  592   1HD1  ILE  90          1HD1      ILE  90   4.283   0.737   0.737
  593   2HD1  ILE  90          2HD1      ILE  90   2.955   0.012   0.012
  594   3HD1  ILE  90          3HD1      ILE  90   4.308   0.811   0.811
  595    H    THR  91           HN       THR  91   6.871  -4.076  -4.076
  596    HA   THR  91           HA       THR  91   6.509  -4.843  -4.843
  597    HB   THR  91           HB       THR  91   5.968  -6.979  -6.979
  598    HG1  THR  91           HG1      THR  91   7.956  -7.715  -7.715
  599   1HG2  THR  91          1HG2      THR  91   5.864  -6.318  -6.318
  600   2HG2  THR  91          2HG2      THR  91   7.632  -6.497  -6.497
  601   3HG2  THR  91          3HG2      THR  91   6.610  -7.915  -7.915
  602    H    HIS  92           HN       HIS  92   8.396  -4.813  -4.813
  603    HA   HIS  92           HA       HIS  92  10.414  -3.181  -3.181
  604   1HB   HIS  92          2HB       HIS  92  10.049  -4.878  -4.878
  605   2HB   HIS  92          3HB       HIS  92  11.629  -4.196  -4.196
  606    HD1  HIS  92           HD1      HIS  92  11.802  -2.318  -2.318
  607    HD2  HIS  92           HD2      HIS  92   8.148  -2.298  -2.298
  608    HE1  HIS  92           HE1      HIS  92  10.592  -0.185  -0.185
  609    HE2  HIS  92           HE2      HIS  92   8.379  -0.201  -0.201
  610    H    THR  93           HN       THR  93   9.739  -5.840  -5.840
  611    HA   THR  93           HA       THR  93  12.284  -7.223  -7.223
  612    HB   THR  93           HB       THR  93   9.574  -7.633  -7.633
  613    HG1  THR  93           HG1      THR  93  10.127  -8.517  -8.517
  614   1HG2  THR  93          1HG2      THR  93  11.311  -8.145  -8.145
  615   2HG2  THR  93          2HG2      THR  93  12.079  -9.269  -9.269
  616   3HG2  THR  93          3HG2      THR  93  10.425  -9.581  -9.581
  617    H    GLY  94           HN       GLY  94  13.255  -7.867  -7.867
  618   1HA   GLY  94          1HA       GLY  94  14.839  -6.570  -6.570
  619   2HA   GLY  94          2HA       GLY  94  13.473  -6.943  -6.943
  620    H    ALA  95           HN       ALA  95  14.380  -4.476  -4.476
  621    HA   ALA  95           HA       ALA  95  13.559  -2.413  -2.413
  622   1HB   ALA  95          3HB       ALA  95  12.438  -2.968  -2.968
  623   2HB   ALA  95          1HB       ALA  95  12.602  -1.278  -1.278
  624   3HB   ALA  95          2HB       ALA  95  11.610  -2.418  -2.418
  625    H    SER  96           HN       SER  96  16.053  -2.650  -2.650
  626    HA   SER  96           HA       SER  96  17.646  -2.018  -2.018
  627   1HB   SER  96          2HB       SER  96  18.349  -2.863  -2.863
  628   2HB   SER  96          3HB       SER  96  18.144  -1.232  -1.232
  629    HG   SER  96           HG       SER  96  20.188  -0.990  -0.990
  630    H    GLY  97           HN       GLY  97  15.296  -0.081  -0.081
  631   1HA   GLY  97          1HA       GLY  97  16.606   2.415   2.415
  632   2HA   GLY  97          2HA       GLY  97  15.454   2.292   2.292
  633    H    ASN  98           HN       ASN  98  13.178   1.872   1.872
  634    HA   ASN  98           HA       ASN  98  12.485   2.924   2.924
  635   1HB   ASN  98          2HB       ASN  98  11.439   3.624   3.624
  636   2HB   ASN  98          3HB       ASN  98  10.570   2.103   2.103
  637   1HD2  ASN  98          2HD2      ASN  98   9.483   3.549   3.549
  638   2HD2  ASN  98          1HD2      ASN  98  10.865   2.580   2.580
  639    H    ASN  99           HN       ASN  99  13.090   0.941   0.941
  640    HA   ASN  99           HA       ASN  99  12.670  -1.547  -1.547
  641   1HB   ASN  99          2HB       ASN  99  12.076   0.262   0.262
  642   2HB   ASN  99          3HB       ASN  99  11.369  -1.336  -1.336
  643   1HD2  ASN  99          2HD2      ASN  99  15.395  -1.540  -1.540
  644   2HD2  ASN  99          1HD2      ASN  99  14.258  -0.762  -0.762
  645    H    PHE 100           HN       PHE 100  10.823  -0.862  -0.862
  646    HA   PHE 100           HA       PHE 100   8.427  -2.132  -2.132
  647   1HB   PHE 100          2HB       PHE 100   8.605   0.720   0.720
  648   2HB   PHE 100          3HB       PHE 100   7.093  -0.165  -0.165
  649    HD1  PHE 100           HD2      PHE 100   7.421  -1.500  -1.500
  650    HD2  PHE 100           HD1      PHE 100   8.151   2.487   2.487
  651    HE1  PHE 100           HE2      PHE 100   7.018  -0.690  -0.690
  652    HE2  PHE 100           HE1      PHE 100   7.748   3.298   3.298
  653    HZ   PHE 100           HZ       PHE 100   7.186   1.699   1.699
  654    H    VAL 101           HN       VAL 101   7.227  -3.136  -3.136
  655    HA   VAL 101           HA       VAL 101   7.649  -2.536  -2.536
  656    HB   VAL 101           HB       VAL 101   8.735  -4.791  -4.791
  657   1HG1  VAL 101          1HG1      VAL 101   9.743  -2.312  -2.312
  658   2HG1  VAL 101          2HG1      VAL 101  10.753  -3.064  -3.064
  659   3HG1  VAL 101          3HG1      VAL 101  10.739  -3.735  -3.735
  660   1HG2  VAL 101          1HG2      VAL 101   8.725  -4.914  -4.914
  661   2HG2  VAL 101          2HG2      VAL 101   9.251  -6.142  -6.142
  662   3HG2  VAL 101          3HG2      VAL 101  10.407  -4.924  -4.924
  663    H    GLU 102           HN       GLU 102   5.859  -3.237  -3.237
  664    HA   GLU 102           HA       GLU 102   3.734  -4.248  -4.248
  665   1HB   GLU 102          2HB       GLU 102   3.276  -5.200  -5.200
  666   2HB   GLU 102          3HB       GLU 102   3.036  -3.533  -3.533
  667   1HG   GLU 102          2HG       GLU 102   5.101  -2.822  -2.822
  668   2HG   GLU 102          3HG       GLU 102   5.781  -4.438  -4.438
  669    H    CYS 103           HN       CYS 103   3.464  -6.127  -6.127
  670    HA   CYS 103           HA       CYS 103   5.169  -8.263  -8.263
  671   1HB   CYS 103          2HB       CYS 103   2.269  -8.174  -8.174
  672   2HB   CYS 103          3HB       CYS 103   3.333  -9.539  -9.539
  673    H    THR 104           HN       THR 104   3.689 -10.621 -10.621
  674    HA   THR 104           HA       THR 104   3.189 -10.474 -10.474
  675    HB   THR 104           HB       THR 104   3.868 -12.856 -12.856
  676    HG1  THR 104           HG1      THR 104   3.227 -13.639 -13.639
  677   1HG2  THR 104          3HG2      THR 104   5.651 -10.932 -10.932
  678   2HG2  THR 104          1HG2      THR 104   6.144 -12.622 -12.622
  679   3HG2  THR 104          2HG2      THR 104   5.871 -11.551 -11.551

  Start of MODEL   17
    1    H    ALA   1           HN       ALA   1  -9.762 -14.138 -14.138
    2    HA   ALA   1           HA       ALA   1  -8.521 -16.652 -16.652
    3   1HB   ALA   1          2HB       ALA   1  -9.295 -15.334 -15.334
    4   2HB   ALA   1          3HB       ALA   1  -8.254 -16.776 -16.776
    5   3HB   ALA   1          1HB       ALA   1  -9.906 -16.849 -16.849
    6    H    CYS   2           HN       CYS   2  -7.296 -14.774 -14.774
    7    HA   CYS   2           HA       CYS   2  -5.189 -13.536 -13.536
    8   1HB   CYS   2          2HB       CYS   2  -3.776 -15.373 -15.373
    9   2HB   CYS   2          3HB       CYS   2  -3.562 -15.030 -15.030
   10    H    ASP   3           HN       ASP   3  -4.276 -11.958 -11.958
   11    HA   ASP   3           HA       ASP   3  -4.854 -12.260 -12.260
   12   1HB   ASP   3          2HB       ASP   3  -5.567  -9.915  -9.915
   13   2HB   ASP   3          3HB       ASP   3  -5.319  -9.674  -9.674
   14    H    TYR   4           HN       TYR   4  -3.091 -10.779 -10.779
   15    HA   TYR   4           HA       TYR   4  -0.939 -10.033 -10.033
   16   1HB   TYR   4          2HB       TYR   4  -1.775  -8.873  -8.873
   17   2HB   TYR   4          3HB       TYR   4  -0.489  -8.236  -8.236
   18    HD1  TYR   4           HD2      TYR   4  -0.987  -6.931  -6.931
   19    HD2  TYR   4           HD1      TYR   4  -4.127  -8.473  -8.473
   20    HE1  TYR   4           HE2      TYR   4  -2.652  -5.384  -5.384
   21    HE2  TYR   4           HE1      TYR   4  -5.780  -6.922  -6.922
   22    HH   TYR   4           HH       TYR   4  -5.589  -4.664  -4.664
   23    H    THR   5           HN       THR   5   0.991 -11.034 -11.034
   24    HA   THR   5           HA       THR   5   1.390 -12.321 -12.321
   25    HB   THR   5           HB       THR   5   1.839 -13.294 -13.294
   26    HG1  THR   5           HG1      THR   5   1.007 -14.830 -14.830
   27   1HG2  THR   5          3HG2      THR   5   3.370 -13.976 -13.976
   28   2HG2  THR   5          1HG2      THR   5   2.781 -15.344 -15.344
   29   3HG2  THR   5          2HG2      THR   5   3.863 -14.133 -14.133
   30    H    CYS   6           HN       CYS   6   2.857 -11.215 -11.215
   31    HA   CYS   6           HA       CYS   6   4.831  -9.684  -9.684
   32   1HB   CYS   6          2HB       CYS   6   3.997  -9.928  -9.928
   33   2HB   CYS   6          3HB       CYS   6   5.543  -9.207  -9.207
   34    H    GLY   7           HN       GLY   7   5.509 -12.002 -12.002
   35   1HA   GLY   7          1HA       GLY   7   7.250 -13.432 -13.432
   36   2HA   GLY   7          2HA       GLY   7   7.971 -12.686 -12.686
   37    H    SER   8           HN       SER   8   6.277 -13.096 -13.096
   38    HA   SER   8           HA       SER   8   5.761 -15.964 -15.964
   39   1HB   SER   8          2HB       SER   8   6.666 -16.206 -16.206
   40   2HB   SER   8          3HB       SER   8   7.880 -15.447 -15.447
   41    HG   SER   8           HG       SER   8   7.222 -14.531 -14.531
   42    H    ASN   9           HN       ASN   9   3.785 -14.057 -14.057
   43    HA   ASN   9           HA       ASN   9   2.121 -14.383 -14.383
   44   1HB   ASN   9          2HB       ASN   9   2.175 -11.740 -11.740
   45   2HB   ASN   9          3HB       ASN   9   1.345 -12.075 -12.075
   46   1HD2  ASN   9          2HD2      ASN   9   5.487 -11.724 -11.724
   47   2HD2  ASN   9          1HD2      ASN   9   4.612 -12.353 -12.353
   48    H    CYS  10           HN       CYS  10  -0.244 -13.291 -13.291
   49    HA   CYS  10           HA       CYS  10  -0.784 -13.406 -13.406
   50   1HB   CYS  10          2HB       CYS  10  -0.265 -15.946 -15.946
   51   2HB   CYS  10          3HB       CYS  10  -1.995 -15.866 -15.866
   52    H    TYR  11           HN       TYR  11  -1.784 -11.471 -11.471
   53    HA   TYR  11           HA       TYR  11  -4.072 -12.071 -12.071
   54   1HB   TYR  11          2HB       TYR  11  -3.430  -9.297  -9.297
   55   2HB   TYR  11          3HB       TYR  11  -3.700  -9.844  -9.844
   56    HD1  TYR  11           HD2      TYR  11  -1.173  -9.511  -9.511
   57    HD2  TYR  11           HD1      TYR  11  -1.866 -10.490 -10.490
   58    HE1  TYR  11           HE2      TYR  11   1.326  -9.404  -9.404
   59    HE2  TYR  11           HE1      TYR  11   0.636 -10.380 -10.380
   60    HH   TYR  11           HH       TYR  11   2.761  -8.925  -8.925
   61    H    SER  12           HN       SER  12  -6.139 -12.130 -12.130
   62    HA   SER  12           HA       SER  12  -6.574 -11.781 -11.781
   63   1HB   SER  12          2HB       SER  12  -7.843 -13.128 -13.128
   64   2HB   SER  12          3HB       SER  12  -8.986 -11.862 -11.862
   65    HG   SER  12           HG       SER  12  -8.093 -12.888 -12.888
   66    H    SER  13           HN       SER  13  -8.308 -10.303 -10.303
   67    HA   SER  13           HA       SER  13  -7.772  -7.727  -7.727
   68   1HB   SER  13          2HB       SER  13  -9.857  -7.217  -7.217
   69   2HB   SER  13          3HB       SER  13  -9.201  -8.695  -8.695
   70    HG   SER  13           HG       SER  13 -11.531  -8.293  -8.293
   71    H    SER  14           HN       SER  14  -9.577  -9.827  -9.827
   72    HA   SER  14           HA       SER  14 -10.976  -7.711  -7.711
   73   1HB   SER  14          2HB       SER  14 -11.869 -10.032 -10.032
   74   2HB   SER  14          3HB       SER  14 -10.513 -10.607 -10.607
   75    HG   SER  14           HG       SER  14 -12.811  -9.786  -9.786
   76    H    ASP  15           HN       ASP  15  -7.811  -9.196  -9.196
   77    HA   ASP  15           HA       ASP  15  -7.363  -8.482  -8.482
   78   1HB   ASP  15          2HB       ASP  15  -5.801  -9.709  -9.709
   79   2HB   ASP  15          3HB       ASP  15  -4.859  -8.901  -8.901
   80    H    VAL  16           HN       VAL  16  -7.144  -7.022  -7.022
   81    HA   VAL  16           HA       VAL  16  -5.144  -5.097  -5.097
   82    HB   VAL  16           HB       VAL  16  -7.075  -5.529  -5.529
   83   1HG1  VAL  16          3HG1      VAL  16  -6.594  -3.016  -3.016
   84   2HG1  VAL  16          1HG1      VAL  16  -5.038  -3.331  -3.331
   85   3HG1  VAL  16          2HG1      VAL  16  -6.562  -3.540  -3.540
   86   1HG2  VAL  16          1HG2      VAL  16  -4.195  -6.005  -6.005
   87   2HG2  VAL  16          2HG2      VAL  16  -5.340  -6.901  -6.901
   88   3HG2  VAL  16          3HG2      VAL  16  -4.596  -5.398  -5.398
   89    H    SER  17           HN       SER  17  -8.620  -4.600  -4.600
   90    HA   SER  17           HA       SER  17  -8.922  -2.110  -2.110
   91   1HB   SER  17          2HB       SER  17 -10.660  -3.754  -3.754
   92   2HB   SER  17          3HB       SER  17 -10.995  -4.232  -4.232
   93    HG   SER  17           HG       SER  17 -11.628  -1.831  -1.831
   94    H    THR  18           HN       THR  18  -9.414  -5.004  -5.004
   95    HA   THR  18           HA       THR  18 -10.012  -3.743  -3.743
   96    HB   THR  18           HB       THR  18  -8.588  -6.282  -6.282
   97    HG1  THR  18           HG1      THR  18 -10.529  -6.983  -6.983
   98   1HG2  THR  18          2HG2      THR  18  -8.972  -5.322  -5.322
   99   2HG2  THR  18          3HG2      THR  18  -8.501  -6.968  -6.968
  100   3HG2  THR  18          1HG2      THR  18  -7.398  -5.602  -5.602
  101    H    ALA  19           HN       ALA  19  -6.714  -4.266  -4.266
  102    HA   ALA  19           HA       ALA  19  -5.361  -3.160  -3.160
  103   1HB   ALA  19          1HB       ALA  19  -4.436  -4.585  -4.585
  104   2HB   ALA  19          2HB       ALA  19  -4.506  -3.137  -3.137
  105   3HB   ALA  19          3HB       ALA  19  -3.461  -3.154  -3.154
  106    H    GLN  20           HN       GLN  20  -6.695  -1.731  -1.731
  107    HA   GLN  20           HA       GLN  20  -5.636   0.788   0.788
  108   1HB   GLN  20          2HB       GLN  20  -8.339   0.283   0.283
  109   2HB   GLN  20          3HB       GLN  20  -7.148   1.499   1.499
  110   1HG   GLN  20          2HG       GLN  20  -5.607  -0.210  -0.210
  111   2HG   GLN  20          3HG       GLN  20  -6.634  -1.500  -1.500
  112   1HE2  GLN  20          2HE2      GLN  20  -8.153   0.852   0.852
  113   2HE2  GLN  20          1HE2      GLN  20  -7.322   1.544   1.544
  114    H    ALA  21           HN       ALA  21  -8.979  -0.430  -0.430
  115    HA   ALA  21           HA       ALA  21 -10.165   1.664   1.664
  116   1HB   ALA  21          1HB       ALA  21  -9.972  -1.171  -1.171
  117   2HB   ALA  21          2HB       ALA  21 -11.086   0.031   0.031
  118   3HB   ALA  21          3HB       ALA  21 -11.248  -0.454  -0.454
  119    H    ALA  22           HN       ALA  22  -7.419  -0.108  -0.108
  120    HA   ALA  22           HA       ALA  22  -7.525   1.437   1.437
  121   1HB   ALA  22          1HB       ALA  22  -6.611  -0.968  -0.968
  122   2HB   ALA  22          2HB       ALA  22  -5.146  -0.143  -0.143
  123   3HB   ALA  22          3HB       ALA  22  -5.705   0.106   0.106
  124    H    GLY  23           HN       GLY  23  -5.401   1.334   1.334
  125   1HA   GLY  23          1HA       GLY  23  -3.655   3.363   3.363
  126   2HA   GLY  23          2HA       GLY  23  -4.127   2.922   2.922
  127    H    TYR  24           HN       TYR  24  -6.933   3.541   3.541
  128    HA   TYR  24           HA       TYR  24  -6.758   6.379   6.379
  129   1HB   TYR  24          2HB       TYR  24  -8.107   4.447   4.447
  130   2HB   TYR  24          3HB       TYR  24  -9.236   4.570   4.570
  131    HD1  TYR  24           HD2      TYR  24  -8.026   7.795   7.795
  132    HD2  TYR  24           HD1      TYR  24 -10.549   4.989   4.989
  133    HE1  TYR  24           HE2      TYR  24  -9.216   9.704   9.704
  134    HE2  TYR  24           HE1      TYR  24 -11.732   6.908   6.908
  135    HH   TYR  24           HH       TYR  24 -11.915   9.047   9.047
  136    H    LYS  25           HN       LYS  25  -8.995   4.267   4.267
  137    HA   LYS  25           HA       LYS  25 -10.288   6.061   6.061
  138   1HB   LYS  25          2HB       LYS  25 -10.600   3.668   3.668
  139   2HB   LYS  25          3HB       LYS  25  -9.031   3.496   3.496
  140   1HG   LYS  25          2HG       LYS  25 -10.632   3.548   3.548
  141   2HG   LYS  25          3HG       LYS  25  -9.836   5.109   5.109
  142   1HD   LYS  25          2HD       LYS  25 -11.712   6.168   6.168
  143   2HD   LYS  25          3HD       LYS  25 -12.470   4.617   4.617
  144   1HE   LYS  25          2HE       LYS  25 -13.585   5.683   5.683
  145   2HE   LYS  25          3HE       LYS  25 -12.722   4.270   4.270
  146   1HZ   LYS  25          1HZ       LYS  25 -11.413   6.875   6.875
  147   2HZ   LYS  25          2HZ       LYS  25 -12.449   6.472   6.472
  148   3HZ   LYS  25          3HZ       LYS  25 -11.114   5.569   5.569
  149    H    LEU  26           HN       LEU  26  -7.070   4.764   4.764
  150    HA   LEU  26           HA       LEU  26  -6.773   6.624   6.624
  151   1HB   LEU  26          2HB       LEU  26  -5.554   4.509   4.509
  152   2HB   LEU  26          3HB       LEU  26  -4.679   5.123   5.123
  153    HG   LEU  26           HG       LEU  26  -4.063   7.052   7.052
  154   1HD1  LEU  26          3HD1      LEU  26  -5.338   6.007   6.007
  155   2HD1  LEU  26          1HD1      LEU  26  -4.350   4.533   4.533
  156   3HD1  LEU  26          2HD1      LEU  26  -3.597   6.061   6.061
  157   1HD2  LEU  26          2HD2      LEU  26  -2.770   4.548   4.548
  158   2HD2  LEU  26          3HD2      LEU  26  -2.213   6.236   6.236
  159   3HD2  LEU  26          1HD2      LEU  26  -2.053   5.326   5.326
  160    H    HIS  27           HN       HIS  27  -5.936   6.732   6.732
  161    HA   HIS  27           HA       HIS  27  -4.402   9.053   9.053
  162   1HB   HIS  27          2HB       HIS  27  -4.247   7.683   7.683
  163   2HB   HIS  27          3HB       HIS  27  -5.977   7.710   7.710
  164    HD1  HIS  27           HD1      HIS  27  -3.254  10.419  10.419
  165    HD2  HIS  27           HD2      HIS  27  -6.569   9.341   9.341
  166    HE1  HIS  27           HE1      HIS  27  -3.433  12.176  12.176
  167    HE2  HIS  27           HE2      HIS  27  -5.454  11.430  11.430
  168    H    GLU  28           HN       GLU  28  -7.933   8.522   8.522
  169    HA   GLU  28           HA       GLU  28  -8.520  11.193  11.193
  170   1HB   GLU  28          2HB       GLU  28 -10.714   9.764   9.764
  171   2HB   GLU  28          3HB       GLU  28 -10.593  10.357  10.357
  172   1HG   GLU  28          2HG       GLU  28  -9.142   8.323   8.323
  173   2HG   GLU  28          3HG       GLU  28  -9.502   7.712   7.712
  174    H    ASP  29           HN       ASP  29  -7.848   9.349   9.349
  175    HA   ASP  29           HA       ASP  29  -9.069  11.322  11.322
  176   1HB   ASP  29          2HB       ASP  29  -7.586   8.720   8.720
  177   2HB   ASP  29          3HB       ASP  29  -7.714   9.823   9.823
  178    H    GLY  30           HN       GLY  30  -6.030  10.658  10.658
  179   1HA   GLY  30          1HA       GLY  30  -4.147  11.917  11.917
  180   2HA   GLY  30          2HA       GLY  30  -4.809  13.006  13.006
  181    H    GLU  31           HN       GLU  31  -4.796   9.532   9.532
  182    HA   GLU  31           HA       GLU  31  -2.805  10.065  10.065
  183   1HB   GLU  31          2HB       GLU  31  -4.927   7.915   7.915
  184   2HB   GLU  31          3HB       GLU  31  -3.649   7.762   7.762
  185   1HG   GLU  31          2HG       GLU  31  -5.466  10.208  10.208
  186   2HG   GLU  31          3HG       GLU  31  -5.831   8.821   8.821
  187    H    THR  32           HN       THR  32  -1.412   7.951   7.951
  188    HA   THR  32           HA       THR  32  -0.524   6.805   6.805
  189    HB   THR  32           HB       THR  32   1.803   7.061   7.061
  190    HG1  THR  32           HG1      THR  32   0.391   8.537   8.537
  191   1HG2  THR  32          2HG2      THR  32   0.488   9.088   9.088
  192   2HG2  THR  32          3HG2      THR  32   0.508   9.753   9.753
  193   3HG2  THR  32          1HG2      THR  32   2.039   9.396   9.396
  194    H    VAL  33           HN       VAL  33   1.195   4.921   4.921
  195    HA   VAL  33           HA       VAL  33   0.026   3.404   3.404
  196    HB   VAL  33           HB       VAL  33  -0.546   1.555   1.555
  197   1HG1  VAL  33          3HG1      VAL  33  -1.951   3.714   3.714
  198   2HG1  VAL  33          1HG1      VAL  33  -1.275   3.669   3.669
  199   3HG1  VAL  33          2HG1      VAL  33  -2.240   2.301   2.301
  200   1HG2  VAL  33          2HG2      VAL  33   1.564   1.510   1.510
  201   2HG2  VAL  33          3HG2      VAL  33   0.109   1.117   1.117
  202   3HG2  VAL  33          1HG2      VAL  33   0.855   2.727   2.727
  203    H    GLY  34           HN       GLY  34   1.598   2.424   2.424
  204   1HA   GLY  34          1HA       GLY  34   3.572   1.362   1.362
  205   2HA   GLY  34          2HA       GLY  34   4.053   1.544   1.544
  206    H    SER  35           HN       SER  35   6.161   2.333   2.333
  207    HA   SER  35           HA       SER  35   6.271   4.765   4.765
  208   1HB   SER  35          2HB       SER  35   8.640   3.287   3.287
  209   2HB   SER  35          3HB       SER  35   8.636   4.388   4.388
  210    HG   SER  35           HG       SER  35   7.759   2.842   2.842
  211    H    ASN  36           HN       ASN  36   6.048   3.670   3.670
  212    HA   ASN  36           HA       ASN  36   7.615   5.746   5.746
  213   1HB   ASN  36          2HB       ASN  36   6.046   3.415   3.415
  214   2HB   ASN  36          3HB       ASN  36   5.858   4.795   4.795
  215   1HD2  ASN  36          2HD2      ASN  36   8.687   3.151   3.151
  216   2HD2  ASN  36          1HD2      ASN  36   6.957   3.106   3.106
  217    H    SER  37           HN       SER  37   5.859   6.575   6.575
  218    HA   SER  37           HA       SER  37   3.760   7.935   7.935
  219   1HB   SER  37          2HB       SER  37   4.271   9.985   9.985
  220   2HB   SER  37          3HB       SER  37   5.874   9.292   9.292
  221    HG   SER  37           HG       SER  37   4.392   9.896   9.896
  222    H    TYR  38           HN       TYR  38   3.265   5.469   5.469
  223    HA   TYR  38           HA       TYR  38   2.170   6.046   6.046
  224   1HB   TYR  38          2HB       TYR  38   2.531   3.587   3.587
  225   2HB   TYR  38          3HB       TYR  38   1.715   3.477   3.477
  226    HD1  TYR  38           HD2      TYR  38   4.670   5.634   5.634
  227    HD2  TYR  38           HD1      TYR  38   3.247   1.933   1.933
  228    HE1  TYR  38           HE2      TYR  38   6.904   5.268   5.268
  229    HE2  TYR  38           HE1      TYR  38   5.487   1.581   1.581
  230    HH   TYR  38           HH       TYR  38   8.004   2.531   2.531
  231    HA   PRO  39           HA       PRO  39   0.818   5.108   5.108
  232   1HB   PRO  39          2HB       PRO  39  -1.239   6.145   6.145
  233   2HB   PRO  39          3HB       PRO  39  -1.167   4.465   4.465
  234   1HG   PRO  39          2HG       PRO  39  -2.841   6.649   6.649
  235   2HG   PRO  39          3HG       PRO  39  -3.047   4.917   4.917
  236   1HD   PRO  39          2HD       PRO  39  -2.026   6.732   6.732
  237   2HD   PRO  39          3HD       PRO  39  -2.123   4.988   4.988
  238    H    HIS  40           HN       HIS  40   0.727   6.712   6.712
  239    HA   HIS  40           HA       HIS  40   0.800   9.407   9.407
  240   1HB   HIS  40          2HB       HIS  40   3.112   9.946   9.946
  241   2HB   HIS  40          3HB       HIS  40   2.656   8.824   8.824
  242    HD1  HIS  40           HD1      HIS  40   4.554   8.906   8.906
  243    HD2  HIS  40           HD2      HIS  40   4.135   6.484   6.484
  244    HE1  HIS  40           HE1      HIS  40   6.344   7.099   7.099
  245    HE2  HIS  40           HE2      HIS  40   6.074   5.674   5.674
  246    H    LYS  41           HN       LYS  41   2.099  10.608  10.608
  247    HA   LYS  41           HA       LYS  41   1.196   9.682   9.682
  248   1HB   LYS  41          2HB       LYS  41   1.868  12.017  12.017
  249   2HB   LYS  41          3HB       LYS  41   3.549  11.531  11.531
  250   1HG   LYS  41          2HG       LYS  41   1.816  10.829  10.829
  251   2HG   LYS  41          3HG       LYS  41   2.207  12.524  12.524
  252   1HD   LYS  41          2HD       LYS  41   4.422  10.465  10.465
  253   2HD   LYS  41          3HD       LYS  41   3.823  10.942  10.942
  254   1HE   LYS  41          2HE       LYS  41   4.203  13.347  13.347
  255   2HE   LYS  41          3HE       LYS  41   5.646  12.369  12.369
  256   1HZ   LYS  41          1HZ       LYS  41   5.720  12.176  12.176
  257   2HZ   LYS  41          2HZ       LYS  41   4.416  13.148  13.148
  258   3HZ   LYS  41          3HZ       LYS  41   5.808  13.734  13.734
  259    H    TYR  42           HN       TYR  42   2.473   8.979   8.979
  260    HA   TYR  42           HA       TYR  42   4.956   7.621   7.621
  261   1HB   TYR  42          2HB       TYR  42   3.364   5.894   5.894
  262   2HB   TYR  42          3HB       TYR  42   2.238   6.336   6.336
  263    HD1  TYR  42           HD1      TYR  42   3.061   5.945   5.945
  264    HD2  TYR  42           HD2      TYR  42   4.785   4.062   4.062
  265    HE1  TYR  42           HE1      TYR  42   4.015   4.109   4.109
  266    HE2  TYR  42           HE2      TYR  42   5.732   2.231   2.231
  267    HH   TYR  42           HH       TYR  42   6.168   1.659   1.659
  268    H    ASN  43           HN       ASN  43   2.253   8.407   8.407
  269    HA   ASN  43           HA       ASN  43   2.203   8.887   8.887
  270   1HB   ASN  43          2HB       ASN  43   4.979   9.708   9.708
  271   2HB   ASN  43          3HB       ASN  43   4.724   9.510   9.510
  272   1HD2  ASN  43          2HD2      ASN  43   1.973  12.027  12.027
  273   2HD2  ASN  43          1HD2      ASN  43   2.246  10.409  10.409
  274    H    ASN  44           HN       ASN  44   5.624   7.974   7.974
  275    HA   ASN  44           HA       ASN  44   5.732   5.391   5.391
  276   1HB   ASN  44          2HB       ASN  44   4.858   4.609   4.609
  277   2HB   ASN  44          3HB       ASN  44   3.569   5.571   5.571
  278   1HD2  ASN  44          2HD2      ASN  44   5.556   6.710   6.710
  279   2HD2  ASN  44          1HD2      ASN  44   6.076   5.396   5.396
  280    H    TYR  45           HN       TYR  45   7.323   4.655   4.655
  281    HA   TYR  45           HA       TYR  45   8.576   6.572   6.572
  282   1HB   TYR  45          2HB       TYR  45   9.441   6.179   6.179
  283   2HB   TYR  45          3HB       TYR  45  10.752   6.145   6.145
  284    HD1  TYR  45           HD1      TYR  45   8.390   8.208   8.208
  285    HD2  TYR  45           HD2      TYR  45  11.159   8.179   8.179
  286    HE1  TYR  45           HE1      TYR  45   8.442  10.750  10.750
  287    HE2  TYR  45           HE2      TYR  45  11.201  10.721  10.721
  288    HH   TYR  45           HH       TYR  45   9.776  12.524  12.524
  289    H    GLU  46           HN       GLU  46   9.244   3.702   3.702
  290    HA   GLU  46           HA       GLU  46  11.191   2.540   2.540
  291   1HB   GLU  46          2HB       GLU  46   8.809   1.229   1.229
  292   2HB   GLU  46          3HB       GLU  46  10.205   0.330   0.330
  293   1HG   GLU  46          2HG       GLU  46   9.922   1.699   1.699
  294   2HG   GLU  46          3HG       GLU  46  11.353   0.887   0.887
  295    H    GLY  47           HN       GLY  47   7.945   3.165   3.165
  296   1HA   GLY  47          1HA       GLY  47   7.599   3.041   3.041
  297   2HA   GLY  47          2HA       GLY  47   8.427   1.497   1.497
  298    H    PHE  48           HN       PHE  48   5.786   2.960   2.960
  299    HA   PHE  48           HA       PHE  48   4.366   0.430   0.430
  300   1HB   PHE  48          2HB       PHE  48   4.011   3.023   3.023
  301   2HB   PHE  48          3HB       PHE  48   2.939   1.646   1.646
  302    HD1  PHE  48           HD2      PHE  48   3.781  -0.467  -0.467
  303    HD2  PHE  48           HD1      PHE  48   6.176   3.033   3.033
  304    HE1  PHE  48           HE2      PHE  48   5.308  -1.452  -1.452
  305    HE2  PHE  48           HE1      PHE  48   7.703   2.049   2.049
  306    HZ   PHE  48           HZ       PHE  48   7.252  -0.182  -0.182
  307    H    ASP  49           HN       ASP  49   2.442   0.168   0.168
  308    HA   ASP  49           HA       ASP  49   1.672   2.410   2.410
  309   1HB   ASP  49          2HB       ASP  49   0.241  -0.241  -0.241
  310   2HB   ASP  49          3HB       ASP  49   0.631   0.840   0.840
  311    H    PHE  50           HN       PHE  50   0.970   3.253   3.253
  312    HA   PHE  50           HA       PHE  50  -1.328   2.165   2.165
  313   1HB   PHE  50          2HB       PHE  50  -0.005   4.937   4.937
  314   2HB   PHE  50          3HB       PHE  50  -1.380   4.610   4.610
  315    HD1  PHE  50           HD1      PHE  50   0.413   1.640   1.640
  316    HD2  PHE  50           HD2      PHE  50   0.613   5.521   5.521
  317    HE1  PHE  50           HE1      PHE  50   1.960   0.780   0.780
  318    HE2  PHE  50           HE2      PHE  50   2.159   4.661   4.661
  319    HZ   PHE  50           HZ       PHE  50   2.814   2.300   2.300
  320    H    SER  51           HN       SER  51  -3.010   1.786   1.786
  321    HA   SER  51           HA       SER  51  -3.787   3.794   3.794
  322   1HB   SER  51          2HB       SER  51  -5.664   2.276   2.276
  323   2HB   SER  51          3HB       SER  51  -4.151   1.394   1.394
  324    HG   SER  51           HG       SER  51  -5.400   0.124   0.124
  325    H    VAL  52           HN       VAL  52  -3.700   4.476   4.476
  326    HA   VAL  52           HA       VAL  52  -6.524   5.241   5.241
  327    HB   VAL  52           HB       VAL  52  -6.172   5.214   5.214
  328   1HG1  VAL  52          3HG1      VAL  52  -6.239   2.959   2.959
  329   2HG1  VAL  52          1HG1      VAL  52  -5.006   2.583   2.583
  330   3HG1  VAL  52          2HG1      VAL  52  -6.653   3.033   3.033
  331   1HG2  VAL  52          3HG2      VAL  52  -3.337   5.045   5.045
  332   2HG2  VAL  52          1HG2      VAL  52  -4.088   5.680   5.680
  333   3HG2  VAL  52          2HG2      VAL  52  -3.800   3.932   3.932
  334    H    SER  53           HN       SER  53  -6.841   7.373   7.373
  335    HA   SER  53           HA       SER  53  -4.957   9.224   9.224
  336   1HB   SER  53          2HB       SER  53  -7.535   9.405   9.405
  337   2HB   SER  53          3HB       SER  53  -7.489   9.893   9.893
  338    HG   SER  53           HG       SER  53  -5.731  11.249  11.249
  339    H    SER  54           HN       SER  54  -3.655  10.669  10.669
  340    HA   SER  54           HA       SER  54  -2.951   9.793   9.793
  341   1HB   SER  54          2HB       SER  54  -1.212  11.308  11.308
  342   2HB   SER  54          3HB       SER  54  -1.656  11.197  11.197
  343    HG   SER  54           HG       SER  54  -3.045  13.112  13.112
  344    HA   PRO  55           HA       PRO  55  -1.695  11.507  11.507
  345   1HB   PRO  55          2HB       PRO  55  -1.450  11.692  11.692
  346   2HB   PRO  55          3HB       PRO  55  -1.268  13.064  13.064
  347   1HG   PRO  55          2HG       PRO  55  -3.537  12.382  12.382
  348   2HG   PRO  55          3HG       PRO  55  -3.147  13.922  13.922
  349   1HD   PRO  55          2HD       PRO  55  -5.180  12.081  12.081
  350   2HD   PRO  55          3HD       PRO  55  -4.710  13.565  13.565
  351    H    TYR  56           HN       TYR  56  -0.300   9.792   9.792
  352    HA   TYR  56           HA       TYR  56  -1.976   7.435   7.435
  353   1HB   TYR  56          2HB       TYR  56   0.955   7.962   7.962
  354   2HB   TYR  56          3HB       TYR  56   0.291   6.348   6.348
  355    HD1  TYR  56           HD1      TYR  56  -2.451   6.938   6.938
  356    HD2  TYR  56           HD2      TYR  56   1.536   7.894   7.894
  357    HE1  TYR  56           HE1      TYR  56  -3.202   7.002   7.002
  358    HE2  TYR  56           HE2      TYR  56   0.773   7.954   7.954
  359    HH   TYR  56           HH       TYR  56  -0.947   7.108   7.108
  360    H    TYR  57           HN       TYR  57  -2.208   6.702   6.702
  361    HA   TYR  57           HA       TYR  57  -0.166   7.467   7.467
  362   1HB   TYR  57          2HB       TYR  57  -2.947   6.151   6.151
  363   2HB   TYR  57          3HB       TYR  57  -2.021   6.739   6.739
  364    HD1  TYR  57           HD2      TYR  57  -1.121   9.244   9.244
  365    HD2  TYR  57           HD1      TYR  57  -4.815   7.595   7.595
  366    HE1  TYR  57           HE2      TYR  57  -2.233  11.520  11.520
  367    HE2  TYR  57           HE1      TYR  57  -5.913   9.877   9.877
  368    HH   TYR  57           HH       TYR  57  -4.036  12.722  12.722
  369    H    GLU  58           HN       GLU  58   1.134   5.992   5.992
  370    HA   GLU  58           HA       GLU  58   0.884   3.274   3.274
  371   1HB   GLU  58          2HB       GLU  58   3.229   3.013   3.013
  372   2HB   GLU  58          3HB       GLU  58   3.068   4.298   4.298
  373   1HG   GLU  58          2HG       GLU  58   4.440   5.139   5.139
  374   2HG   GLU  58          3HG       GLU  58   2.897   5.966   5.966
  375    H    TRP  59           HN       TRP  59   0.827   1.456   1.456
  376    HA   TRP  59           HA       TRP  59   0.871   1.882   1.882
  377   1HB   TRP  59          2HB       TRP  59  -1.314   2.704   2.704
  378   2HB   TRP  59          3HB       TRP  59  -1.752   1.504   1.504
  379    HD1  TRP  59           HD1      TRP  59  -2.638  -0.857  -0.857
  380    HE1  TRP  59           HE1      TRP  59  -3.304  -1.847  -1.847
  381    HE3  TRP  59           HE3      TRP  59  -0.573   2.890   2.890
  382    HZ2  TRP  59           HZ2      TRP  59  -2.904  -0.971  -0.971
  383    HZ3  TRP  59           HZ3      TRP  59  -0.754   2.746   2.746
  384    HH2  TRP  59           HH2      TRP  59  -1.871   0.901   0.901
  385    HA   PRO  60           HA       PRO  60   1.964  -2.295  -2.295
  386   1HB   PRO  60          2HB       PRO  60   1.865  -3.160  -3.160
  387   2HB   PRO  60          3HB       PRO  60   3.221  -2.270  -2.270
  388   1HG   PRO  60          2HG       PRO  60   1.093  -1.324  -1.324
  389   2HG   PRO  60          3HG       PRO  60   2.657  -0.605  -0.605
  390   1HD   PRO  60          2HD       PRO  60   0.120   0.271   0.271
  391   2HD   PRO  60          3HD       PRO  60   1.694   0.917   0.917
  392    H    ILE  61           HN       ILE  61   1.282  -4.514  -4.514
  393    HA   ILE  61           HA       ILE  61  -1.614  -4.648  -4.648
  394    HB   ILE  61           HB       ILE  61  -1.029  -4.536  -4.536
  395   1HG1  ILE  61          2HG1      ILE  61  -2.075  -7.286  -7.286
  396   2HG1  ILE  61          3HG1      ILE  61  -3.007  -5.829  -5.829
  397   1HG2  ILE  61          2HG2      ILE  61   0.477  -7.107  -7.107
  398   2HG2  ILE  61          3HG2      ILE  61   0.092  -6.468  -6.468
  399   3HG2  ILE  61          1HG2      ILE  61   1.164  -5.553  -5.553
  400   1HD1  ILE  61          3HD1      ILE  61  -1.808  -5.945  -5.945
  401   2HD1  ILE  61          1HD1      ILE  61  -2.962  -7.258  -7.258
  402   3HD1  ILE  61          2HD1      ILE  61  -3.477  -5.561  -5.561
  403    H    LEU  62           HN       LEU  62  -2.262  -6.174  -6.174
  404    HA   LEU  62           HA       LEU  62  -0.208  -7.958  -7.958
  405   1HB   LEU  62          2HB       LEU  62  -2.931  -7.107  -7.107
  406   2HB   LEU  62          3HB       LEU  62  -2.078  -8.457  -8.457
  407    HG   LEU  62           HG       LEU  62  -0.946  -5.652  -5.652
  408   1HD1  LEU  62          1HD1      LEU  62  -2.374  -6.989  -6.989
  409   2HD1  LEU  62          2HD1      LEU  62  -1.516  -5.431  -5.431
  410   3HD1  LEU  62          3HD1      LEU  62  -2.960  -5.607  -5.607
  411   1HD2  LEU  62          3HD2      LEU  62   0.711  -7.484  -7.484
  412   2HD2  LEU  62          1HD2      LEU  62   0.697  -6.407  -6.407
  413   3HD2  LEU  62          2HD2      LEU  62  -0.073  -8.009  -8.009
  414    H    SER  63           HN       SER  63  -0.023 -10.042 -10.042
  415    HA   SER  63           HA       SER  63  -1.623 -11.055 -11.055
  416   1HB   SER  63          2HB       SER  63   0.556 -11.971 -11.971
  417   2HB   SER  63          3HB       SER  63   0.357 -12.282 -12.282
  418    HG   SER  63           HG       SER  63  -0.001 -14.021 -14.021
  419    H    SER  64           HN       SER  64  -2.382 -10.540 -10.540
  420    HA   SER  64           HA       SER  64  -4.082 -12.875 -12.875
  421   1HB   SER  64          2HB       SER  64  -3.991 -10.788 -10.788
  422   2HB   SER  64          3HB       SER  64  -4.152 -12.527 -12.527
  423    HG   SER  64           HG       SER  64  -2.049 -12.601 -12.601
  424    H    GLY  65           HN       GLY  65  -4.165  -9.722  -9.722
  425   1HA   GLY  65          1HA       GLY  65  -5.892  -8.544  -8.544
  426   2HA   GLY  65          2HA       GLY  65  -7.012  -9.765  -9.765
  427    H    ASP  66           HN       ASP  66  -4.621  -8.036  -8.036
  428    HA   ASP  66           HA       ASP  66  -6.909  -6.865  -6.865
  429   1HB   ASP  66          2HB       ASP  66  -4.142  -7.676  -7.676
  430   2HB   ASP  66          3HB       ASP  66  -5.242  -6.711  -6.711
  431    H    VAL  67           HN       VAL  67  -5.334  -5.034  -5.034
  432    HA   VAL  67           HA       VAL  67  -4.341  -3.235  -3.235
  433    HB   VAL  67           HB       VAL  67  -5.809  -2.778  -2.778
  434   1HG1  VAL  67          3HG1      VAL  67  -3.818  -1.271  -1.271
  435   2HG1  VAL  67          1HG1      VAL  67  -4.424  -0.624  -0.624
  436   3HG1  VAL  67          2HG1      VAL  67  -5.373  -0.407  -0.407
  437   1HG2  VAL  67          2HG2      VAL  67  -6.387  -2.554  -2.554
  438   2HG2  VAL  67          3HG2      VAL  67  -7.492  -2.739  -2.739
  439   3HG2  VAL  67          1HG2      VAL  67  -6.872  -1.128  -1.128
  440    H    TYR  68           HN       TYR  68  -2.198  -2.788  -2.788
  441    HA   TYR  68           HA       TYR  68  -0.552  -3.914  -3.914
  442   1HB   TYR  68          2HB       TYR  68  -0.455  -2.614  -2.614
  443   2HB   TYR  68          3HB       TYR  68   0.799  -1.945  -1.945
  444    HD1  TYR  68           HD1      TYR  68   1.964  -4.019  -4.019
  445    HD2  TYR  68           HD2      TYR  68   0.313  -4.265  -4.265
  446    HE1  TYR  68           HE1      TYR  68   3.438  -6.030  -6.030
  447    HE2  TYR  68           HE2      TYR  68   1.793  -6.275  -6.275
  448    HH   TYR  68           HH       TYR  68   4.059  -7.481  -7.481
  449    H    SER  69           HN       SER  69   0.583  -2.924  -2.924
  450    HA   SER  69           HA       SER  69  -0.197  -0.153  -0.153
  451   1HB   SER  69          2HB       SER  69   0.328  -0.682  -0.682
  452   2HB   SER  69          3HB       SER  69  -1.057  -1.524  -1.524
  453    HG   SER  69           HG       SER  69   0.841  -2.700  -2.700
  454    H    GLY  70           HN       GLY  70   2.404  -2.201  -2.201
  455   1HA   GLY  70          1HA       GLY  70   4.363  -0.474  -0.474
  456   2HA   GLY  70          2HA       GLY  70   4.672  -2.076  -2.076
  457    H    GLY  71           HN       GLY  71   6.145   0.471   0.471
  458   1HA   GLY  71          1HA       GLY  71   5.519   1.511   1.511
  459   2HA   GLY  71          2HA       GLY  71   7.055   1.620   1.620
  460    H    SER  72           HN       SER  72   6.811  -1.566  -1.566
  461    HA   SER  72           HA       SER  72   7.961  -1.911  -1.911
  462   1HB   SER  72          2HB       SER  72   9.389  -3.598  -3.598
  463   2HB   SER  72          3HB       SER  72   9.424  -2.289  -2.289
  464    HG   SER  72           HG       SER  72   8.841  -4.818  -4.818
  465    HA   PRO  73           HA       PRO  73   4.244  -4.375  -4.375
  466   1HB   PRO  73          2HB       PRO  73   3.888  -4.103  -4.103
  467   2HB   PRO  73          3HB       PRO  73   3.198  -3.000  -3.000
  468   1HG   PRO  73          2HG       PRO  73   5.514  -2.590  -2.590
  469   2HG   PRO  73          3HG       PRO  73   4.559  -1.392  -1.392
  470   1HD   PRO  73          2HD       PRO  73   7.173  -2.328  -2.328
  471   2HD   PRO  73          3HD       PRO  73   6.171  -1.218  -1.218
  472    H    GLY  74           HN       GLY  74   5.758  -4.779  -4.779
  473   1HA   GLY  74          1HA       GLY  74   7.358  -6.974  -6.974
  474   2HA   GLY  74          2HA       GLY  74   5.748  -7.603  -7.603
  475    H    ALA  75           HN       ALA  75   7.908  -5.030  -5.030
  476    HA   ALA  75           HA       ALA  75   8.368  -4.488  -4.488
  477   1HB   ALA  75          1HB       ALA  75   7.963  -7.480  -7.480
  478   2HB   ALA  75          2HB       ALA  75   8.704  -6.398  -6.398
  479   3HB   ALA  75          3HB       ALA  75   9.490  -6.646  -6.646
  480    H    ASP  76           HN       ASP  76   5.607  -6.845  -6.845
  481    HA   ASP  76           HA       ASP  76   4.420  -6.011  -6.011
  482   1HB   ASP  76          2HB       ASP  76   2.867  -6.772  -6.772
  483   2HB   ASP  76          3HB       ASP  76   2.407  -7.064  -7.064
  484    H    ARG  77           HN       ARG  77   3.315  -4.114  -4.114
  485    HA   ARG  77           HA       ARG  77   2.074  -2.611  -2.611
  486   1HB   ARG  77          2HB       ARG  77   3.997  -1.215  -1.215
  487   2HB   ARG  77          3HB       ARG  77   3.196  -0.512  -0.512
  488   1HG   ARG  77          2HG       ARG  77   4.823  -2.917  -2.917
  489   2HG   ARG  77          3HG       ARG  77   5.760  -1.579  -1.579
  490   1HD   ARG  77          2HD       ARG  77   4.111  -0.262  -0.262
  491   2HD   ARG  77          3HD       ARG  77   4.304  -1.808  -1.808
  492    HE   ARG  77           HE       ARG  77   6.396   0.201   0.201
  493   1HH1  ARG  77           HH2      ARG  77   5.738  -3.185  -3.185
  494   2HH1  ARG  77           HH2      ARG  77   7.291  -3.471  -3.471
  495   1HH2  ARG  77           HH1      ARG  77   8.445  -0.177  -0.177
  496   2HH2  ARG  77           HH1      ARG  77   8.841  -1.749  -1.749
  497    H    VAL  78           HN       VAL  78   0.262  -1.412  -1.412
  498    HA   VAL  78           HA       VAL  78  -0.283  -1.786  -1.786
  499    HB   VAL  78           HB       VAL  78  -2.688  -1.291  -1.291
  500   1HG1  VAL  78          3HG1      VAL  78  -1.219  -3.926  -3.926
  501   2HG1  VAL  78          1HG1      VAL  78  -2.988  -3.746  -3.746
  502   3HG1  VAL  78          2HG1      VAL  78  -2.115  -3.354  -3.354
  503   1HG2  VAL  78          1HG2      VAL  78  -1.558  -0.889  -0.889
  504   2HG2  VAL  78          2HG2      VAL  78  -3.124  -1.727  -1.727
  505   3HG2  VAL  78          3HG2      VAL  78  -1.628  -2.665  -2.665
  506    H    VAL  79           HN       VAL  79  -0.663  -0.019  -0.019
  507    HA   VAL  79           HA       VAL  79  -0.467   2.575   2.575
  508    HB   VAL  79           HB       VAL  79   0.299   1.676   1.676
  509   1HG1  VAL  79          3HG1      VAL  79  -0.699   4.151   4.151
  510   2HG1  VAL  79          1HG1      VAL  79   1.033   4.406   4.406
  511   3HG1  VAL  79          2HG1      VAL  79   0.499   3.811   3.811
  512   1HG2  VAL  79          2HG2      VAL  79   1.747   2.077   2.077
  513   2HG2  VAL  79          3HG2      VAL  79   2.179   1.110   1.110
  514   3HG2  VAL  79          1HG2      VAL  79   2.499   2.861   2.861
  515    H    PHE  80           HN       PHE  80  -2.006   4.181   4.181
  516    HA   PHE  80           HA       PHE  80  -4.038   3.642   3.642
  517   1HB   PHE  80          2HB       PHE  80  -5.840   3.762   3.762
  518   2HB   PHE  80          3HB       PHE  80  -4.738   2.472   2.472
  519    HD1  PHE  80           HD2      PHE  80  -2.772   3.213   3.213
  520    HD2  PHE  80           HD1      PHE  80  -6.451   5.282   5.282
  521    HE1  PHE  80           HE2      PHE  80  -2.449   4.259   4.259
  522    HE2  PHE  80           HE1      PHE  80  -6.129   6.327   6.327
  523    HZ   PHE  80           HZ       PHE  80  -4.131   5.804   5.804
  524    H    ASN  81           HN       ASN  81  -5.927   5.569   5.569
  525    HA   ASN  81           HA       ASN  81  -4.287   7.964   7.964
  526   1HB   ASN  81          2HB       ASN  81  -6.816   8.080   8.080
  527   2HB   ASN  81          3HB       ASN  81  -5.329   8.984   8.984
  528   1HD2  ASN  81          2HD2      ASN  81  -5.685   5.125   5.125
  529   2HD2  ASN  81          1HD2      ASN  81  -6.611   5.670   5.670
  530    H    GLU  82           HN       GLU  82  -6.433   9.845   9.845
  531    HA   GLU  82           HA       GLU  82  -7.661   9.168   9.168
  532   1HB   GLU  82          2HB       GLU  82  -6.505  11.451  11.451
  533   2HB   GLU  82          3HB       GLU  82  -8.100  11.800  11.800
  534   1HG   GLU  82          2HG       GLU  82  -8.975  11.076  11.076
  535   2HG   GLU  82          3HG       GLU  82  -7.310  11.260  11.260
  536    H    ASN  83           HN       ASN  83  -8.446   8.012   8.012
  537    HA   ASN  83           HA       ASN  83 -11.165   9.019   9.019
  538   1HB   ASN  83          2HB       ASN  83 -10.812   7.083   7.083
  539   2HB   ASN  83          3HB       ASN  83 -10.815   8.822   8.822
  540   1HD2  ASN  83          2HD2      ASN  83  -7.384   6.598   6.598
  541   2HD2  ASN  83          1HD2      ASN  83  -8.930   5.939   5.939
  542    H    ASN  84           HN       ASN  84  -9.094   6.278   6.278
  543    HA   ASN  84           HA       ASN  84  -9.874   4.735   4.735
  544   1HB   ASN  84          2HB       ASN  84 -12.116   3.916   3.916
  545   2HB   ASN  84          3HB       ASN  84 -12.314   5.605   5.605
  546   1HD2  ASN  84          1HD2      ASN  84 -11.100   5.039   5.039
  547   2HD2  ASN  84          2HD2      ASN  84 -12.371   4.347   4.347
  548    H    GLN  85           HN       GLN  85  -8.675   4.922   4.922
  549    HA   GLN  85           HA       GLN  85  -9.318   2.250   2.250
  550   1HB   GLN  85          2HB       GLN  85  -7.808   4.541   4.541
  551   2HB   GLN  85          3HB       GLN  85  -8.048   2.967   2.967
  552   1HG   GLN  85          2HG       GLN  85 -10.476   3.249   3.249
  553   2HG   GLN  85          3HG       GLN  85 -10.359   4.706   4.706
  554   1HE2  GLN  85          2HE2      GLN  85  -8.859   6.674   6.674
  555   2HE2  GLN  85          1HE2      GLN  85  -8.584   6.273   6.273
  556    H    LEU  86           HN       LEU  86  -7.076   1.360   1.360
  557    HA   LEU  86           HA       LEU  86  -4.934   1.586   1.586
  558   1HB   LEU  86          2HB       LEU  86  -6.295  -0.416  -0.416
  559   2HB   LEU  86          3HB       LEU  86  -5.993  -0.994  -0.994
  560    HG   LEU  86           HG       LEU  86  -3.451  -0.464  -0.464
  561   1HD1  LEU  86          2HD1      LEU  86  -5.409  -1.616  -1.616
  562   2HD1  LEU  86          3HD1      LEU  86  -3.756  -2.272  -2.272
  563   3HD1  LEU  86          1HD1      LEU  86  -4.018  -0.539  -0.539
  564   1HD2  LEU  86          1HD2      LEU  86  -4.997  -2.844  -2.844
  565   2HD2  LEU  86          2HD2      LEU  86  -3.471  -2.151  -2.151
  566   3HD2  LEU  86          3HD2      LEU  86  -3.481  -3.109  -3.109
  567    H    ALA  87           HN       ALA  87  -2.932   1.879   1.879
  568    HA   ALA  87           HA       ALA  87  -2.793   2.268   2.268
  569   1HB   ALA  87          1HB       ALA  87  -1.447   3.179   3.179
  570   2HB   ALA  87          2HB       ALA  87  -0.243   2.167   2.167
  571   3HB   ALA  87          3HB       ALA  87  -1.013   3.524   3.524
  572    H    GLY  88           HN       GLY  88  -1.880  -0.277  -0.277
  573   1HA   GLY  88          1HA       GLY  88  -1.943  -2.396  -2.396
  574   2HA   GLY  88          2HA       GLY  88  -0.334  -1.756  -1.756
  575    H    VAL  89           HN       VAL  89   0.654  -3.644  -3.644
  576    HA   VAL  89           HA       VAL  89   0.522  -3.580  -3.580
  577    HB   VAL  89           HB       VAL  89   0.332  -5.975  -5.975
  578   1HG1  VAL  89          2HG1      VAL  89   1.884  -5.870  -5.870
  579   2HG1  VAL  89          3HG1      VAL  89   0.347  -6.593  -6.593
  580   3HG1  VAL  89          1HG1      VAL  89   1.261  -7.334  -7.334
  581   1HG2  VAL  89          2HG2      VAL  89  -1.439  -4.736  -4.736
  582   2HG2  VAL  89          3HG2      VAL  89  -1.830  -5.192  -5.192
  583   3HG2  VAL  89          1HG2      VAL  89  -1.595  -6.453  -6.453
  584    H    ILE  90           HN       ILE  90   2.460  -2.410  -2.410
  585    HA   ILE  90           HA       ILE  90   4.752  -3.362  -3.362
  586    HB   ILE  90           HB       ILE  90   5.878  -1.454  -1.454
  587   1HG1  ILE  90          2HG1      ILE  90   3.654  -1.468  -1.468
  588   2HG1  ILE  90          3HG1      ILE  90   5.369  -1.193  -1.193
  589   1HG2  ILE  90          3HG2      ILE  90   3.890  -1.324  -1.324
  590   2HG2  ILE  90          1HG2      ILE  90   3.205  -0.256  -0.256
  591   3HG2  ILE  90          2HG2      ILE  90   4.795   0.111   0.111
  592   1HD1  ILE  90          1HD1      ILE  90   4.318   0.884   0.884
  593   2HD1  ILE  90          2HD1      ILE  90   3.317   0.768   0.768
  594   3HD1  ILE  90          3HD1      ILE  90   5.069   1.046   1.046
  595    H    THR  91           HN       THR  91   6.849  -3.780  -3.780
  596    HA   THR  91           HA       THR  91   6.562  -4.716  -4.716
  597    HB   THR  91           HB       THR  91   5.746  -6.742  -6.742
  598    HG1  THR  91           HG1      THR  91   8.616  -6.948  -6.948
  599   1HG2  THR  91          2HG2      THR  91   7.662  -6.321  -6.321
  600   2HG2  THR  91          3HG2      THR  91   6.640  -7.759  -7.759
  601   3HG2  THR  91          1HG2      THR  91   5.889  -6.173  -6.173
  602    H    HIS  92           HN       HIS  92   8.507  -4.819  -4.819
  603    HA   HIS  92           HA       HIS  92  10.563  -3.287  -3.287
  604   1HB   HIS  92          2HB       HIS  92  10.273  -5.120  -5.120
  605   2HB   HIS  92          3HB       HIS  92  11.852  -4.471  -4.471
  606    HD1  HIS  92           HD1      HIS  92  11.968  -2.960  -2.960
  607    HD2  HIS  92           HD2      HIS  92   8.663  -2.186  -2.186
  608    HE1  HIS  92           HE1      HIS  92  10.954  -0.770  -0.770
  609    HE2  HIS  92           HE2      HIS  92   8.961  -0.319  -0.319
  610    H    THR  93           HN       THR  93   9.729  -5.548  -5.548
  611    HA   THR  93           HA       THR  93  12.130  -7.211  -7.211
  612    HB   THR  93           HB       THR  93   9.408  -7.257  -7.257
  613    HG1  THR  93           HG1      THR  93   9.295  -9.093  -9.093
  614   1HG2  THR  93          3HG2      THR  93  11.800  -9.118  -9.118
  615   2HG2  THR  93          1HG2      THR  93  10.148  -9.398  -9.398
  616   3HG2  THR  93          2HG2      THR  93  11.100  -8.031  -8.031
  617    H    GLY  94           HN       GLY  94  13.074  -7.668  -7.668
  618   1HA   GLY  94          1HA       GLY  94  14.690  -6.335  -6.335
  619   2HA   GLY  94          2HA       GLY  94  13.306  -6.592  -6.592
  620    H    ALA  95           HN       ALA  95  14.296  -4.340  -4.340
  621    HA   ALA  95           HA       ALA  95  13.492  -2.127  -2.127
  622   1HB   ALA  95          2HB       ALA  95  12.471  -2.837  -2.837
  623   2HB   ALA  95          3HB       ALA  95  12.672  -1.119  -1.119
  624   3HB   ALA  95          1HB       ALA  95  11.602  -2.155  -2.155
  625    H    SER  96           HN       SER  96  15.958  -2.385  -2.385
  626    HA   SER  96           HA       SER  96  17.673  -1.966  -1.966
  627   1HB   SER  96          2HB       SER  96  18.247  -2.652  -2.652
  628   2HB   SER  96          3HB       SER  96  18.041  -0.982  -0.982
  629    HG   SER  96           HG       SER  96  19.811  -1.630  -1.630
  630    H    GLY  97           HN       GLY  97  15.300   0.139   0.139
  631   1HA   GLY  97          1HA       GLY  97  16.716   2.523   2.523
  632   2HA   GLY  97          2HA       GLY  97  15.521   2.538   2.538
  633    H    ASN  98           HN       ASN  98  13.246   2.082   2.082
  634    HA   ASN  98           HA       ASN  98  12.654   2.983   2.983
  635   1HB   ASN  98          2HB       ASN  98  11.543   3.815   3.815
  636   2HB   ASN  98          3HB       ASN  98  10.638   2.314   2.314
  637   1HD2  ASN  98          2HD2      ASN  98   9.726   3.611   3.611
  638   2HD2  ASN  98          1HD2      ASN  98  11.050   2.609   2.609
  639    H    ASN  99           HN       ASN  99  13.281   0.919   0.919
  640    HA   ASN  99           HA       ASN  99  12.816  -1.543  -1.543
  641   1HB   ASN  99          2HB       ASN  99  12.309   0.119   0.119
  642   2HB   ASN  99          3HB       ASN  99  11.637  -1.500  -1.500
  643   1HD2  ASN  99          2HD2      ASN  99  15.621  -1.589  -1.589
  644   2HD2  ASN  99          1HD2      ASN  99  14.425  -0.778  -0.778
  645    H    PHE 100           HN       PHE 100  10.905  -0.718  -0.718
  646    HA   PHE 100           HA       PHE 100   8.528  -2.006  -2.006
  647   1HB   PHE 100          2HB       PHE 100   8.725   0.896   0.896
  648   2HB   PHE 100          3HB       PHE 100   7.197   0.037   0.037
  649    HD1  PHE 100           HD2      PHE 100   7.534  -1.445  -1.445
  650    HD2  PHE 100           HD1      PHE 100   8.375   2.583   2.583
  651    HE1  PHE 100           HE2      PHE 100   7.205  -0.757  -0.757
  652    HE2  PHE 100           HE1      PHE 100   8.046   3.269   3.269
  653    HZ   PHE 100           HZ       PHE 100   7.465   1.592   1.592
  654    H    VAL 101           HN       VAL 101   7.295  -2.961  -2.961
  655    HA   VAL 101           HA       VAL 101   7.600  -2.221  -2.221
  656    HB   VAL 101           HB       VAL 101   8.646  -4.461  -4.461
  657   1HG1  VAL 101          3HG1      VAL 101   9.672  -1.999  -1.999
  658   2HG1  VAL 101          1HG1      VAL 101  10.720  -2.789  -2.789
  659   3HG1  VAL 101          2HG1      VAL 101  10.653  -3.410  -3.410
  660   1HG2  VAL 101          2HG2      VAL 101   9.555  -4.318  -4.318
  661   2HG2  VAL 101          3HG2      VAL 101   8.567  -5.592  -5.592
  662   3HG2  VAL 101          1HG2      VAL 101  10.266  -5.379  -5.379
  663    H    GLU 102           HN       GLU 102   5.767  -2.866  -2.866
  664    HA   GLU 102           HA       GLU 102   3.688  -3.927  -3.927
  665   1HB   GLU 102          2HB       GLU 102   3.115  -4.739  -4.739
  666   2HB   GLU 102          3HB       GLU 102   2.906  -3.101  -3.101
  667   1HG   GLU 102          2HG       GLU 102   4.929  -2.345  -2.345
  668   2HG   GLU 102          3HG       GLU 102   5.605  -3.959  -3.959
  669    H    CYS 103           HN       CYS 103   3.454  -5.865  -5.865
  670    HA   CYS 103           HA       CYS 103   5.136  -7.997  -7.997
  671   1HB   CYS 103          2HB       CYS 103   2.248  -8.069  -8.069
  672   2HB   CYS 103          3HB       CYS 103   3.447  -9.312  -9.312
  673    H    THR 104           HN       THR 104   3.636 -10.325 -10.325
  674    HA   THR 104           HA       THR 104   2.829  -9.968  -9.968
  675    HB   THR 104           HB       THR 104   3.825 -12.222 -12.222
  676    HG1  THR 104           HG1      THR 104   3.366 -12.888 -12.888
  677   1HG2  THR 104          3HG2      THR 104   5.328  -9.920  -9.920
  678   2HG2  THR 104          1HG2      THR 104   6.030 -11.081 -11.081
  679   3HG2  THR 104          2HG2      THR 104   5.995 -11.462 -11.462

  Start of MODEL   18
    1    H    ALA   1           HN       ALA   1  -7.477 -14.982 -14.982
    2    HA   ALA   1           HA       ALA   1  -8.177 -14.171 -14.171
    3   1HB   ALA   1          1HB       ALA   1  -6.791 -16.850 -16.850
    4   2HB   ALA   1          2HB       ALA   1  -7.728 -16.123 -16.123
    5   3HB   ALA   1          3HB       ALA   1  -8.525 -16.513 -16.513
    6    H    CYS   2           HN       CYS   2  -4.898 -13.987 -13.987
    7    HA   CYS   2           HA       CYS   2  -4.356 -12.909 -12.909
    8   1HB   CYS   2          2HB       CYS   2  -1.954 -13.488 -13.488
    9   2HB   CYS   2          3HB       CYS   2  -2.436 -14.005 -14.005
   10    H    ASP   3           HN       ASP   3  -5.670 -11.150 -11.150
   11    HA   ASP   3           HA       ASP   3  -4.760  -9.863  -9.863
   12   1HB   ASP   3          2HB       ASP   3  -5.588  -8.527  -8.527
   13   2HB   ASP   3          3HB       ASP   3  -5.566  -7.723  -7.723
   14    H    TYR   4           HN       TYR   4  -3.246  -9.991  -9.991
   15    HA   TYR   4           HA       TYR   4  -0.950  -8.528  -8.528
   16   1HB   TYR   4          2HB       TYR   4  -2.324  -8.228  -8.228
   17   2HB   TYR   4          3HB       TYR   4  -0.859  -7.387  -7.387
   18    HD1  TYR   4           HD2      TYR   4  -0.951  -5.634  -5.634
   19    HD2  TYR   4           HD1      TYR   4  -4.482  -7.414  -7.414
   20    HE1  TYR   4           HE2      TYR   4  -2.350  -3.721  -3.721
   21    HE2  TYR   4           HE1      TYR   4  -5.869  -5.496  -5.496
   22    HH   TYR   4           HH       TYR   4  -5.451  -3.833  -3.833
   23    H    THR   5           HN       THR   5   0.727  -9.938  -9.938
   24    HA   THR   5           HA       THR   5   0.935 -11.654 -11.654
   25    HB   THR   5           HB       THR   5   1.269 -12.281 -12.281
   26    HG1  THR   5           HG1      THR   5  -0.033 -14.155 -14.155
   27   1HG2  THR   5          1HG2      THR   5   3.086 -13.186 -13.186
   28   2HG2  THR   5          2HG2      THR   5   1.823 -14.440 -14.440
   29   3HG2  THR   5          3HG2      THR   5   2.657 -14.065 -14.065
   30    H    CYS   6           HN       CYS   6   2.500 -10.794 -10.794
   31    HA   CYS   6           HA       CYS   6   4.665  -9.402  -9.402
   32   1HB   CYS   6          2HB       CYS   6   3.816  -9.911  -9.911
   33   2HB   CYS   6          3HB       CYS   6   5.445  -9.357  -9.357
   34    H    GLY   7           HN       GLY   7   5.091 -11.600 -11.600
   35   1HA   GLY   7          1HA       GLY   7   6.825 -13.057 -13.057
   36   2HA   GLY   7          2HA       GLY   7   7.326 -12.877 -12.877
   37    H    SER   8           HN       SER   8   5.173 -13.574 -13.574
   38    HA   SER   8           HA       SER   8   4.082 -16.008 -16.008
   39   1HB   SER   8          2HB       SER   8   5.101 -17.509 -17.509
   40   2HB   SER   8          3HB       SER   8   6.416 -16.373 -16.373
   41    HG   SER   8           HG       SER   8   5.605 -17.096 -17.096
   42    H    ASN   9           HN       ASN   9   2.664 -13.713 -13.713
   43    HA   ASN   9           HA       ASN   9   1.366 -14.290 -14.290
   44   1HB   ASN   9          2HB       ASN   9   1.477 -11.573 -11.573
   45   2HB   ASN   9          3HB       ASN   9   0.794 -11.891 -11.891
   46   1HD2  ASN   9          2HD2      ASN   9   4.912 -12.080 -12.080
   47   2HD2  ASN   9          1HD2      ASN   9   3.809 -12.519 -12.519
   48    H    CYS  10           HN       CYS  10  -0.930 -12.646 -12.646
   49    HA   CYS  10           HA       CYS  10  -2.015 -12.865 -12.865
   50   1HB   CYS  10          2HB       CYS  10  -2.011 -15.275 -15.275
   51   2HB   CYS  10          3HB       CYS  10  -3.011 -14.946 -14.946
   52    H    TYR  11           HN       TYR  11  -2.186 -10.601 -10.601
   53    HA   TYR  11           HA       TYR  11  -4.090 -10.282 -10.282
   54   1HB   TYR  11          2HB       TYR  11  -2.847  -8.186  -8.186
   55   2HB   TYR  11          3HB       TYR  11  -3.340  -7.954  -7.954
   56    HD1  TYR  11           HD1      TYR  11  -2.008  -9.235  -9.235
   57    HD2  TYR  11           HD2      TYR  11  -0.611  -8.691  -8.691
   58    HE1  TYR  11           HE1      TYR  11   0.375  -9.689  -9.689
   59    HE2  TYR  11           HE2      TYR  11   1.768  -9.149  -9.149
   60    HH   TYR  11           HH       TYR  11   3.039  -8.955  -8.955
   61    H    SER  12           HN       SER  12  -5.370 -11.616 -11.616
   62    HA   SER  12           HA       SER  12  -6.444 -10.573 -10.573
   63   1HB   SER  12          2HB       SER  12  -7.315 -12.447 -12.447
   64   2HB   SER  12          3HB       SER  12  -8.653 -11.318 -11.318
   65    HG   SER  12           HG       SER  12  -8.681 -13.142 -13.142
   66    H    SER  13           HN       SER  13  -8.248  -9.129  -9.129
   67    HA   SER  13           HA       SER  13  -8.100  -6.654  -6.654
   68   1HB   SER  13          2HB       SER  13 -10.231  -6.222  -6.222
   69   2HB   SER  13          3HB       SER  13  -9.490  -7.532  -7.532
   70    HG   SER  13           HG       SER  13 -11.763  -7.556  -7.556
   71    H    SER  14           HN       SER  14  -9.534  -9.349  -9.349
   72    HA   SER  14           HA       SER  14 -11.095  -7.693  -7.693
   73   1HB   SER  14          2HB       SER  14 -11.773 -10.020 -10.020
   74   2HB   SER  14          3HB       SER  14 -10.338 -10.642 -10.642
   75    HG   SER  14           HG       SER  14 -12.606 -10.390 -10.390
   76    H    ASP  15           HN       ASP  15  -7.818  -8.971  -8.971
   77    HA   ASP  15           HA       ASP  15  -7.363  -8.656  -8.656
   78   1HB   ASP  15          2HB       ASP  15  -5.888  -9.654  -9.654
   79   2HB   ASP  15          3HB       ASP  15  -4.863  -8.828  -8.828
   80    H    VAL  16           HN       VAL  16  -7.234  -6.774  -6.774
   81    HA   VAL  16           HA       VAL  16  -5.259  -4.911  -4.911
   82    HB   VAL  16           HB       VAL  16  -7.254  -5.019  -5.019
   83   1HG1  VAL  16          2HG1      VAL  16  -6.517  -2.638  -2.638
   84   2HG1  VAL  16          3HG1      VAL  16  -5.142  -2.926  -2.926
   85   3HG1  VAL  16          1HG1      VAL  16  -6.802  -2.904  -2.904
   86   1HG2  VAL  16          1HG2      VAL  16  -4.529  -5.914  -5.914
   87   2HG2  VAL  16          2HG2      VAL  16  -5.631  -6.218  -6.218
   88   3HG2  VAL  16          3HG2      VAL  16  -4.615  -4.757  -4.757
   89    H    SER  17           HN       SER  17  -8.769  -4.389  -4.389
   90    HA   SER  17           HA       SER  17  -9.143  -2.041  -2.041
   91   1HB   SER  17          2HB       SER  17 -10.888  -3.533  -3.533
   92   2HB   SER  17          3HB       SER  17 -11.039  -4.385  -4.385
   93    HG   SER  17           HG       SER  17 -12.011  -1.858  -1.858
   94    H    THR  18           HN       THR  18  -9.211  -5.170  -5.170
   95    HA   THR  18           HA       THR  18  -9.810  -4.215  -4.215
   96    HB   THR  18           HB       THR  18  -8.217  -6.517  -6.517
   97    HG1  THR  18           HG1      THR  18 -10.401  -6.209  -6.209
   98   1HG2  THR  18          3HG2      THR  18  -7.854  -5.438  -5.438
   99   2HG2  THR  18          1HG2      THR  18  -8.602  -7.052  -7.052
  100   3HG2  THR  18          2HG2      THR  18  -7.035  -6.816  -6.816
  101    H    ALA  19           HN       ALA  19  -6.521  -4.417  -4.417
  102    HA   ALA  19           HA       ALA  19  -5.209  -3.319  -3.319
  103   1HB   ALA  19          1HB       ALA  19  -4.598  -4.291  -4.291
  104   2HB   ALA  19          2HB       ALA  19  -3.858  -2.681  -2.681
  105   3HB   ALA  19          3HB       ALA  19  -3.477  -3.959  -3.959
  106    H    GLN  20           HN       GLN  20  -6.705  -1.875  -1.875
  107    HA   GLN  20           HA       GLN  20  -5.768   0.683   0.683
  108   1HB   GLN  20          2HB       GLN  20  -8.521   0.178   0.178
  109   2HB   GLN  20          3HB       GLN  20  -7.307   1.328   1.328
  110   1HG   GLN  20          2HG       GLN  20  -5.853  -0.593  -0.593
  111   2HG   GLN  20          3HG       GLN  20  -7.123  -1.708  -1.708
  112   1HE2  GLN  20          2HE2      GLN  20  -7.989   0.999   0.999
  113   2HE2  GLN  20          1HE2      GLN  20  -7.135   1.474   1.474
  114    H    ALA  21           HN       ALA  21  -9.005  -0.722  -0.722
  115    HA   ALA  21           HA       ALA  21 -10.238   1.278   1.278
  116   1HB   ALA  21          2HB       ALA  21 -10.279  -1.539  -1.539
  117   2HB   ALA  21          3HB       ALA  21 -10.240  -0.961  -0.961
  118   3HB   ALA  21          1HB       ALA  21 -11.523  -0.406  -0.406
  119    H    ALA  22           HN       ALA  22  -7.269  -0.297  -0.297
  120    HA   ALA  22           HA       ALA  22  -7.350   1.158   1.158
  121   1HB   ALA  22          1HB       ALA  22  -6.332  -1.196  -1.196
  122   2HB   ALA  22          2HB       ALA  22  -4.932  -0.255  -0.255
  123   3HB   ALA  22          3HB       ALA  22  -5.469  -0.115  -0.115
  124    H    GLY  23           HN       GLY  23  -5.408   1.220   1.220
  125   1HA   GLY  23          1HA       GLY  23  -3.777   3.386   3.386
  126   2HA   GLY  23          2HA       GLY  23  -4.175   2.847   2.847
  127    H    TYR  24           HN       TYR  24  -7.012   3.225   3.225
  128    HA   TYR  24           HA       TYR  24  -7.097   6.023   6.023
  129   1HB   TYR  24          2HB       TYR  24  -8.326   3.927   3.927
  130   2HB   TYR  24          3HB       TYR  24  -9.399   4.013   4.013
  131    HD1  TYR  24           HD2      TYR  24  -8.514   7.314   7.314
  132    HD2  TYR  24           HD1      TYR  24 -10.879   4.170   4.170
  133    HE1  TYR  24           HE2      TYR  24  -9.942   9.029   9.029
  134    HE2  TYR  24           HE1      TYR  24 -12.299   5.896   5.896
  135    HH   TYR  24           HH       TYR  24 -12.674   7.989   7.989
  136    H    LYS  25           HN       LYS  25  -9.077   3.910   3.910
  137    HA   LYS  25           HA       LYS  25 -10.460   5.737   5.737
  138   1HB   LYS  25          2HB       LYS  25 -10.600   3.347   3.347
  139   2HB   LYS  25          3HB       LYS  25  -9.014   3.344   3.344
  140   1HG   LYS  25          2HG       LYS  25 -10.590   3.428   3.428
  141   2HG   LYS  25          3HG       LYS  25  -9.905   5.037   5.037
  142   1HD   LYS  25          2HD       LYS  25 -11.867   5.869   5.869
  143   2HD   LYS  25          3HD       LYS  25 -12.517   4.250   4.250
  144   1HE   LYS  25          2HE       LYS  25 -11.949   5.360   5.360
  145   2HE   LYS  25          3HE       LYS  25 -13.414   5.827   5.827
  146   1HZ   LYS  25          2HZ       LYS  25 -12.803   3.009   3.009
  147   2HZ   LYS  25          3HZ       LYS  25 -13.251   3.668   3.668
  148   3HZ   LYS  25          1HZ       LYS  25 -14.245   3.764   3.764
  149    H    LEU  26           HN       LEU  26  -7.126   4.728   4.728
  150    HA   LEU  26           HA       LEU  26  -6.880   6.732   6.732
  151   1HB   LEU  26          2HB       LEU  26  -5.511   4.745   4.745
  152   2HB   LEU  26          3HB       LEU  26  -4.802   5.204   5.204
  153    HG   LEU  26           HG       LEU  26  -4.201   7.392   7.392
  154   1HD1  LEU  26          1HD1      LEU  26  -5.108   6.290   6.290
  155   2HD1  LEU  26          2HD1      LEU  26  -3.929   4.973   4.973
  156   3HD1  LEU  26          3HD1      LEU  26  -3.366   6.628   6.628
  157   1HD2  LEU  26          1HD2      LEU  26  -2.780   5.008   5.008
  158   2HD2  LEU  26          2HD2      LEU  26  -2.400   6.738   6.738
  159   3HD2  LEU  26          3HD2      LEU  26  -1.966   5.876   5.876
  160    H    HIS  27           HN       HIS  27  -6.254   6.688   6.688
  161    HA   HIS  27           HA       HIS  27  -4.870   9.118   9.118
  162   1HB   HIS  27          2HB       HIS  27  -4.694   7.596   7.596
  163   2HB   HIS  27          3HB       HIS  27  -6.430   7.554   7.554
  164    HD1  HIS  27           HD1      HIS  27  -3.788  10.355  10.355
  165    HD2  HIS  27           HD2      HIS  27  -7.111   9.044   9.044
  166    HE1  HIS  27           HE1      HIS  27  -4.058  11.996  11.996
  167    HE2  HIS  27           HE2      HIS  27  -6.081  11.107  11.107
  168    H    GLU  28           HN       GLU  28  -8.364   8.276   8.276
  169    HA   GLU  28           HA       GLU  28  -9.179  10.855  10.855
  170   1HB   GLU  28          2HB       GLU  28 -11.216   9.364   9.364
  171   2HB   GLU  28          3HB       GLU  28 -11.180   9.828   9.828
  172   1HG   GLU  28          2HG       GLU  28  -9.621   7.872   7.872
  173   2HG   GLU  28          3HG       GLU  28  -9.822   7.381   7.381
  174    H    ASP  29           HN       ASP  29  -8.247   9.285   9.285
  175    HA   ASP  29           HA       ASP  29  -9.571  11.274  11.274
  176   1HB   ASP  29          2HB       ASP  29  -7.946   8.786   8.786
  177   2HB   ASP  29          3HB       ASP  29  -8.019   9.978   9.978
  178    H    GLY  30           HN       GLY  30  -6.553  10.724  10.724
  179   1HA   GLY  30          1HA       GLY  30  -4.767  12.102  12.102
  180   2HA   GLY  30          2HA       GLY  30  -5.459  13.211  13.211
  181    H    GLU  31           HN       GLU  31  -5.174   9.788   9.788
  182    HA   GLU  31           HA       GLU  31  -3.162  10.572  10.572
  183   1HB   GLU  31          2HB       GLU  31  -5.120   8.252   8.252
  184   2HB   GLU  31          3HB       GLU  31  -3.797   8.260   8.260
  185   1HG   GLU  31          2HG       GLU  31  -5.752  10.587  10.587
  186   2HG   GLU  31          3HG       GLU  31  -6.070   9.204   9.204
  187    H    THR  32           HN       THR  32  -1.637   8.536   8.536
  188    HA   THR  32           HA       THR  32  -0.712   7.382   7.382
  189    HB   THR  32           HB       THR  32   1.604   7.807   7.807
  190    HG1  THR  32           HG1      THR  32   0.149   9.229   9.229
  191   1HG2  THR  32          3HG2      THR  32  -0.360  10.012  10.012
  192   2HG2  THR  32          1HG2      THR  32   1.085  10.483  10.483
  193   3HG2  THR  32          2HG2      THR  32   1.258   9.806   9.806
  194    H    VAL  33           HN       VAL  33   1.116   5.617   5.617
  195    HA   VAL  33           HA       VAL  33   0.084   4.094   4.094
  196    HB   VAL  33           HB       VAL  33  -0.438   2.196   2.196
  197   1HG1  VAL  33          2HG1      VAL  33  -1.904   4.319   4.319
  198   2HG1  VAL  33          3HG1      VAL  33  -1.261   4.159   4.159
  199   3HG1  VAL  33          1HG1      VAL  33  -2.181   2.821   2.821
  200   1HG2  VAL  33          3HG2      VAL  33   1.649   2.138   2.138
  201   2HG2  VAL  33          1HG2      VAL  33   0.209   1.724   1.724
  202   3HG2  VAL  33          2HG2      VAL  33   0.949   3.336   3.336
  203    H    GLY  34           HN       GLY  34   1.720   3.153   3.153
  204   1HA   GLY  34          1HA       GLY  34   3.763   2.252   2.252
  205   2HA   GLY  34          2HA       GLY  34   4.191   2.396   2.396
  206    H    SER  35           HN       SER  35   6.308   3.222   3.222
  207    HA   SER  35           HA       SER  35   6.269   5.794   5.794
  208   1HB   SER  35          2HB       SER  35   7.893   3.860   3.860
  209   2HB   SER  35          3HB       SER  35   8.721   4.241   4.241
  210    HG   SER  35           HG       SER  35   9.788   5.627   5.627
  211    H    ASN  36           HN       ASN  36   5.391   5.095   5.095
  212    HA   ASN  36           HA       ASN  36   7.264   6.889   6.889
  213   1HB   ASN  36          2HB       ASN  36   5.855   4.420   4.420
  214   2HB   ASN  36          3HB       ASN  36   5.625   5.726   5.726
  215   1HD2  ASN  36          2HD2      ASN  36   8.578   4.235   4.235
  216   2HD2  ASN  36          1HD2      ASN  36   6.849   4.136   4.136
  217    H    SER  37           HN       SER  37   5.565   7.540   7.540
  218    HA   SER  37           HA       SER  37   3.349   8.856   8.856
  219   1HB   SER  37          2HB       SER  37   3.639  10.771  10.771
  220   2HB   SER  37          3HB       SER  37   5.127  10.462  10.462
  221    HG   SER  37           HG       SER  37   4.883   9.108   9.108
  222    H    TYR  38           HN       TYR  38   3.072   6.266   6.266
  223    HA   TYR  38           HA       TYR  38   1.944   6.626   6.626
  224   1HB   TYR  38          2HB       TYR  38   2.475   4.298   4.298
  225   2HB   TYR  38          3HB       TYR  38   1.679   4.048   4.048
  226    HD1  TYR  38           HD2      TYR  38   4.446   6.464   6.464
  227    HD2  TYR  38           HD1      TYR  38   3.344   2.553   2.553
  228    HE1  TYR  38           HE2      TYR  38   6.707   6.207   6.207
  229    HE2  TYR  38           HE1      TYR  38   5.610   2.310   2.310
  230    HH   TYR  38           HH       TYR  38   8.055   4.864   4.864
  231    HA   PRO  39           HA       PRO  39   0.675   5.516   5.516
  232   1HB   PRO  39          2HB       PRO  39  -1.446   6.305   6.305
  233   2HB   PRO  39          3HB       PRO  39  -1.250   4.668   4.668
  234   1HG   PRO  39          2HG       PRO  39  -3.093   6.775   6.775
  235   2HG   PRO  39          3HG       PRO  39  -3.167   5.047   5.047
  236   1HD   PRO  39          2HD       PRO  39  -2.299   7.045   7.045
  237   2HD   PRO  39          3HD       PRO  39  -2.265   5.308   5.308
  238    H    HIS  40           HN       HIS  40   0.423   6.998   6.998
  239    HA   HIS  40           HA       HIS  40   0.293   9.706   9.706
  240   1HB   HIS  40          2HB       HIS  40   2.557  10.451  10.451
  241   2HB   HIS  40          3HB       HIS  40   2.152   9.404   9.404
  242    HD1  HIS  40           HD1      HIS  40   4.040   9.262   9.262
  243    HD2  HIS  40           HD2      HIS  40   3.885   7.301   7.301
  244    HE1  HIS  40           HE1      HIS  40   5.989   7.615   7.615
  245    HE2  HIS  40           HE2      HIS  40   5.874   6.478   6.478
  246    H    LYS  41           HN       LYS  41   1.464  10.902  10.902
  247    HA   LYS  41           HA       LYS  41   0.709   9.772   9.772
  248   1HB   LYS  41          2HB       LYS  41   1.274  11.781  11.781
  249   2HB   LYS  41          3HB       LYS  41   1.804  12.177  12.177
  250   1HG   LYS  41          2HG       LYS  41   4.069  11.800  11.800
  251   2HG   LYS  41          3HG       LYS  41   3.716  10.653  10.653
  252   1HD   LYS  41          2HD       LYS  41   3.496  12.291  12.291
  253   2HD   LYS  41          3HD       LYS  41   2.696  13.404  13.404
  254   1HE   LYS  41          2HE       LYS  41   5.626  12.802  12.802
  255   2HE   LYS  41          3HE       LYS  41   5.182  13.878  13.878
  256   1HZ   LYS  41          1HZ       LYS  41   3.840  15.093  15.093
  257   2HZ   LYS  41          2HZ       LYS  41   4.605  14.213  14.213
  258   3HZ   LYS  41          3HZ       LYS  41   5.461  15.203  15.203
  259    H    TYR  42           HN       TYR  42   2.150   9.140   9.140
  260    HA   TYR  42           HA       TYR  42   4.634   7.870   7.870
  261   1HB   TYR  42          2HB       TYR  42   2.983   6.120   6.120
  262   2HB   TYR  42          3HB       TYR  42   2.034   6.506   6.506
  263    HD1  TYR  42           HD1      TYR  42   2.884   5.866   5.866
  264    HD2  TYR  42           HD2      TYR  42   4.810   4.574   4.574
  265    HE1  TYR  42           HE1      TYR  42   4.094   4.043   4.043
  266    HE2  TYR  42           HE2      TYR  42   6.013   2.755   2.755
  267    HH   TYR  42           HH       TYR  42   6.566   2.077   2.077
  268    H    ASN  43           HN       ASN  43   3.145   9.931   9.931
  269    HA   ASN  43           HA       ASN  43   2.924   9.716   9.716
  270   1HB   ASN  43          2HB       ASN  43   5.055  11.276  11.276
  271   2HB   ASN  43          3HB       ASN  43   5.316  11.107  11.107
  272   1HD2  ASN  43          2HD2      ASN  43   1.574  12.578  12.578
  273   2HD2  ASN  43          1HD2      ASN  43   2.177  11.088  11.088
  274    H    ASN  44           HN       ASN  44   3.301   7.453   7.453
  275    HA   ASN  44           HA       ASN  44   5.633   6.116   6.116
  276   1HB   ASN  44          2HB       ASN  44   4.726   4.682   4.682
  277   2HB   ASN  44          3HB       ASN  44   3.329   5.337   5.337
  278   1HD2  ASN  44          2HD2      ASN  44   4.293   6.467   6.467
  279   2HD2  ASN  44          1HD2      ASN  44   5.441   5.717   5.717
  280    H    TYR  45           HN       TYR  45   7.050   5.516   5.516
  281    HA   TYR  45           HA       TYR  45   7.281   7.400   7.400
  282   1HB   TYR  45          2HB       TYR  45   8.786   7.710   7.710
  283   2HB   TYR  45          3HB       TYR  45   9.781   7.849   7.849
  284    HD1  TYR  45           HD1      TYR  45   6.703   8.947   8.947
  285    HD2  TYR  45           HD2      TYR  45   9.880  10.165  10.165
  286    HE1  TYR  45           HE1      TYR  45   5.992  11.375  11.375
  287    HE2  TYR  45           HE2      TYR  45   9.159  12.589  12.589
  288    HH   TYR  45           HH       TYR  45   6.978  13.766  13.766
  289    H    GLU  46           HN       GLU  46   8.973   5.040   5.040
  290    HA   GLU  46           HA       GLU  46  10.975   4.254   4.254
  291   1HB   GLU  46          2HB       GLU  46   9.124   2.476   2.476
  292   2HB   GLU  46          3HB       GLU  46  10.683   1.963   1.963
  293   1HG   GLU  46          2HG       GLU  46  10.103   3.501   3.501
  294   2HG   GLU  46          3HG       GLU  46  11.643   2.853   2.853
  295    H    GLY  47           HN       GLY  47   7.580   4.012   4.012
  296   1HA   GLY  47          1HA       GLY  47   7.070   3.655   3.655
  297   2HA   GLY  47          2HA       GLY  47   8.208   2.324   2.324
  298    H    PHE  48           HN       PHE  48   5.480   3.371   3.371
  299    HA   PHE  48           HA       PHE  48   4.616   0.584   0.584
  300   1HB   PHE  48          2HB       PHE  48   4.034   3.126   3.126
  301   2HB   PHE  48          3HB       PHE  48   3.146   1.639   1.639
  302    HD1  PHE  48           HD2      PHE  48   4.311  -0.352  -0.352
  303    HD2  PHE  48           HD1      PHE  48   6.268   3.396   3.396
  304    HE1  PHE  48           HE2      PHE  48   6.097  -1.134  -1.134
  305    HE2  PHE  48           HE1      PHE  48   8.054   2.615   2.615
  306    HZ   PHE  48           HZ       PHE  48   7.948   0.360   0.360
  307    H    ASP  49           HN       ASP  49   2.748  -0.093  -0.093
  308    HA   ASP  49           HA       ASP  49   1.258   1.967   1.967
  309   1HB   ASP  49          2HB       ASP  49   0.650  -0.970  -0.970
  310   2HB   ASP  49          3HB       ASP  49   0.580   0.295   0.295
  311    H    PHE  50           HN       PHE  50   0.571   2.350   2.350
  312    HA   PHE  50           HA       PHE  50  -1.128   0.559   0.559
  313   1HB   PHE  50          2HB       PHE  50  -0.940   3.628   3.628
  314   2HB   PHE  50          3HB       PHE  50  -1.910   2.773   2.773
  315    HD1  PHE  50           HD1      PHE  50   0.446   0.495   0.495
  316    HD2  PHE  50           HD2      PHE  50   0.184   4.630   4.630
  317    HE1  PHE  50           HE1      PHE  50   2.452   0.290   0.290
  318    HE2  PHE  50           HE2      PHE  50   2.190   4.424   4.424
  319    HZ   PHE  50           HZ       PHE  50   3.300   2.257   2.257
  320    H    SER  51           HN       SER  51  -3.023  -0.271  -0.271
  321    HA   SER  51           HA       SER  51  -4.408   0.834   0.834
  322   1HB   SER  51          2HB       SER  51  -6.158  -0.820  -0.820
  323   2HB   SER  51          3HB       SER  51  -4.565  -1.543  -1.543
  324    HG   SER  51           HG       SER  51  -4.973  -0.638  -0.638
  325    H    VAL  52           HN       VAL  52  -4.002   2.192   2.192
  326    HA   VAL  52           HA       VAL  52  -6.730   3.281   3.281
  327    HB   VAL  52           HB       VAL  52  -6.362   3.739   3.739
  328   1HG1  VAL  52          2HG1      VAL  52  -5.555   0.902   0.902
  329   2HG1  VAL  52          3HG1      VAL  52  -6.129   1.428   1.428
  330   3HG1  VAL  52          1HG1      VAL  52  -7.212   1.524   1.524
  331   1HG2  VAL  52          1HG2      VAL  52  -3.535   2.886   2.886
  332   2HG2  VAL  52          2HG2      VAL  52  -4.126   4.323   4.323
  333   3HG2  VAL  52          3HG2      VAL  52  -4.200   2.722   2.722
  334    H    SER  53           HN       SER  53  -6.965   5.592   5.592
  335    HA   SER  53           HA       SER  53  -4.825   6.981   6.981
  336   1HB   SER  53          2HB       SER  53  -7.175   7.362   7.362
  337   2HB   SER  53          3HB       SER  53  -7.578   7.914   7.914
  338    HG   SER  53           HG       SER  53  -5.893   9.187   9.187
  339    H    SER  54           HN       SER  54  -4.454   9.386   9.386
  340    HA   SER  54           HA       SER  54  -3.450   8.964   8.964
  341   1HB   SER  54          2HB       SER  54  -2.651  11.383  11.383
  342   2HB   SER  54          3HB       SER  54  -2.030  10.213  10.213
  343    HG   SER  54           HG       SER  54  -4.145  12.141  12.141
  344    HA   PRO  55           HA       PRO  55  -2.700  10.850  10.850
  345   1HB   PRO  55          2HB       PRO  55  -2.706  11.209  11.209
  346   2HB   PRO  55          3HB       PRO  55  -2.684  12.538  12.538
  347   1HG   PRO  55          2HG       PRO  55  -4.931  11.546  11.546
  348   2HG   PRO  55          3HG       PRO  55  -4.759  13.093  13.093
  349   1HD   PRO  55          2HD       PRO  55  -6.364  10.877  10.877
  350   2HD   PRO  55          3HD       PRO  55  -6.102  12.379  12.379
  351    H    TYR  56           HN       TYR  56  -1.134   9.590   9.590
  352    HA   TYR  56           HA       TYR  56  -2.399   6.957   6.957
  353   1HB   TYR  56          2HB       TYR  56   0.396   7.933   7.933
  354   2HB   TYR  56          3HB       TYR  56   0.091   6.256   6.256
  355    HD1  TYR  56           HD1      TYR  56  -2.827   6.437   6.437
  356    HD2  TYR  56           HD2      TYR  56   1.149   7.267   7.267
  357    HE1  TYR  56           HE1      TYR  56  -3.533   5.978   5.978
  358    HE2  TYR  56           HE2      TYR  56   0.430   6.804   6.804
  359    HH   TYR  56           HH       TYR  56  -2.709   6.739   6.739
  360    H    TYR  57           HN       TYR  57  -2.360   6.118   6.118
  361    HA   TYR  57           HA       TYR  57  -0.549   7.424   7.424
  362   1HB   TYR  57          2HB       TYR  57  -3.213   5.898   5.898
  363   2HB   TYR  57          3HB       TYR  57  -2.349   6.627   6.627
  364    HD1  TYR  57           HD2      TYR  57  -1.644   9.037   9.037
  365    HD2  TYR  57           HD1      TYR  57  -5.154   7.294   7.294
  366    HE1  TYR  57           HE2      TYR  57  -2.913  11.209  11.209
  367    HE2  TYR  57           HE1      TYR  57  -6.410   9.473   9.473
  368    HH   TYR  57           HH       TYR  57  -5.127  12.250  12.250
  369    H    GLU  58           HN       GLU  58   1.145   6.198   6.198
  370    HA   GLU  58           HA       GLU  58   1.121   3.417   3.417
  371   1HB   GLU  58          2HB       GLU  58   3.433   3.470   3.470
  372   2HB   GLU  58          3HB       GLU  58   3.180   4.705   4.705
  373   1HG   GLU  58          2HG       GLU  58   4.317   5.811   5.811
  374   2HG   GLU  58          3HG       GLU  58   2.649   6.336   6.336
  375    H    TRP  59           HN       TRP  59   0.959   1.670   1.670
  376    HA   TRP  59           HA       TRP  59   0.945   2.146   2.146
  377   1HB   TRP  59          2HB       TRP  59  -1.279   2.866   2.866
  378   2HB   TRP  59          3HB       TRP  59  -1.618   1.560   1.560
  379    HD1  TRP  59           HD1      TRP  59  -2.445  -0.749  -0.749
  380    HE1  TRP  59           HE1      TRP  59  -3.084  -1.619  -1.619
  381    HE3  TRP  59           HE3      TRP  59  -0.522   3.228   3.228
  382    HZ2  TRP  59           HZ2      TRP  59  -2.721  -0.569  -0.569
  383    HZ3  TRP  59           HZ3      TRP  59  -0.706   3.226   3.226
  384    HH2  TRP  59           HH2      TRP  59  -1.759   1.414   1.414
  385    HA   PRO  60           HA       PRO  60   2.283  -1.970  -1.970
  386   1HB   PRO  60          2HB       PRO  60   2.278  -2.756  -2.756
  387   2HB   PRO  60          3HB       PRO  60   3.573  -1.817  -1.817
  388   1HG   PRO  60          2HG       PRO  60   1.434  -0.927  -0.927
  389   2HG   PRO  60          3HG       PRO  60   2.952  -0.138  -0.138
  390   1HD   PRO  60          2HD       PRO  60   0.353   0.573   0.573
  391   2HD   PRO  60          3HD       PRO  60   1.883   1.286   1.286
  392    H    ILE  61           HN       ILE  61   1.637  -4.104  -4.104
  393    HA   ILE  61           HA       ILE  61  -1.203  -4.426  -4.426
  394    HB   ILE  61           HB       ILE  61  -0.535  -4.261  -4.261
  395   1HG1  ILE  61          2HG1      ILE  61  -1.901  -6.859  -6.859
  396   2HG1  ILE  61          3HG1      ILE  61  -2.651  -5.302  -5.302
  397   1HG2  ILE  61          2HG2      ILE  61   1.541  -5.650  -5.650
  398   2HG2  ILE  61          3HG2      ILE  61   0.489  -7.077  -7.077
  399   3HG2  ILE  61          1HG2      ILE  61   0.479  -6.127  -6.127
  400   1HD1  ILE  61          3HD1      ILE  61  -2.199  -4.759  -4.759
  401   2HD1  ILE  61          1HD1      ILE  61  -1.777  -6.476  -6.476
  402   3HD1  ILE  61          2HD1      ILE  61  -3.419  -6.016  -6.016
  403    H    LEU  62           HN       LEU  62  -1.634  -5.881  -5.881
  404    HA   LEU  62           HA       LEU  62   0.513  -7.604  -7.604
  405   1HB   LEU  62          2HB       LEU  62  -2.222  -6.931  -6.931
  406   2HB   LEU  62          3HB       LEU  62  -1.240  -8.207  -8.207
  407    HG   LEU  62           HG       LEU  62  -0.218  -5.376  -5.376
  408   1HD1  LEU  62          3HD1      LEU  62  -2.389  -5.483  -5.483
  409   2HD1  LEU  62          1HD1      LEU  62  -1.534  -6.496  -6.496
  410   3HD1  LEU  62          2HD1      LEU  62  -0.986  -4.830  -4.830
  411   1HD2  LEU  62          1HD2      LEU  62   1.455  -7.136  -7.136
  412   2HD2  LEU  62          2HD2      LEU  62   1.332  -6.035  -6.035
  413   3HD2  LEU  62          3HD2      LEU  62   0.590  -7.651  -7.651
  414    H    SER  63           HN       SER  63   0.784  -9.681  -9.681
  415    HA   SER  63           HA       SER  63  -0.920 -10.769 -10.769
  416   1HB   SER  63          2HB       SER  63   1.610 -11.403 -11.403
  417   2HB   SER  63          3HB       SER  63   0.620 -12.849 -12.849
  418    HG   SER  63           HG       SER  63   0.190 -12.145 -12.145
  419    H    SER  64           HN       SER  64  -1.557 -10.245 -10.245
  420    HA   SER  64           HA       SER  64  -2.916 -12.791 -12.791
  421   1HB   SER  64          2HB       SER  64  -1.803 -10.720 -10.720
  422   2HB   SER  64          3HB       SER  64  -3.263 -11.530 -11.530
  423    HG   SER  64           HG       SER  64  -1.733 -13.497 -13.497
  424    H    GLY  65           HN       GLY  65  -3.420  -9.657  -9.657
  425   1HA   GLY  65          1HA       GLY  65  -5.326  -8.636  -8.636
  426   2HA   GLY  65          2HA       GLY  65  -6.263  -9.966  -9.966
  427    H    ASP  66           HN       ASP  66  -3.869  -7.931  -7.931
  428    HA   ASP  66           HA       ASP  66  -6.103  -7.086  -7.086
  429   1HB   ASP  66          2HB       ASP  66  -3.148  -7.518  -7.518
  430   2HB   ASP  66          3HB       ASP  66  -4.220  -6.678  -6.678
  431    H    VAL  67           HN       VAL  67  -4.520  -5.063  -5.063
  432    HA   VAL  67           HA       VAL  67  -4.013  -3.174  -3.174
  433    HB   VAL  67           HB       VAL  67  -5.418  -2.882  -2.882
  434   1HG1  VAL  67          2HG1      VAL  67  -3.990  -0.731  -0.731
  435   2HG1  VAL  67          3HG1      VAL  67  -5.385  -0.365  -0.365
  436   3HG1  VAL  67          1HG1      VAL  67  -3.915  -1.080  -1.080
  437   1HG2  VAL  67          2HG2      VAL  67  -6.123  -2.786  -2.786
  438   2HG2  VAL  67          3HG2      VAL  67  -7.158  -3.002  -3.002
  439   3HG2  VAL  67          1HG2      VAL  67  -6.701  -1.364  -1.364
  440    H    TYR  68           HN       TYR  68  -1.932  -2.531  -2.531
  441    HA   TYR  68           HA       TYR  68  -0.047  -3.321  -3.321
  442   1HB   TYR  68          2HB       TYR  68  -0.276  -1.962  -1.962
  443   2HB   TYR  68          3HB       TYR  68   1.042  -1.319  -1.319
  444    HD1  TYR  68           HD2      TYR  68   2.357  -3.441  -3.441
  445    HD2  TYR  68           HD1      TYR  68   0.405  -3.523  -3.523
  446    HE1  TYR  68           HE2      TYR  68   3.821  -5.393  -5.393
  447    HE2  TYR  68           HE1      TYR  68   1.876  -5.475  -5.475
  448    HH   TYR  68           HH       TYR  68   3.182  -7.406  -7.406
  449    H    SER  69           HN       SER  69   0.041  -2.374  -2.374
  450    HA   SER  69           HA       SER  69  -0.339   0.513   0.513
  451   1HB   SER  69          2HB       SER  69  -1.247   0.318   0.318
  452   2HB   SER  69          3HB       SER  69  -1.769  -1.195  -1.195
  453    HG   SER  69           HG       SER  69  -0.175  -2.324  -2.324
  454    H    GLY  70           HN       GLY  70   2.145  -0.615  -0.615
  455   1HA   GLY  70          1HA       GLY  70   3.925   0.365   0.365
  456   2HA   GLY  70          2HA       GLY  70   4.215  -1.220  -1.220
  457    H    GLY  71           HN       GLY  71   6.028   1.059   1.059
  458   1HA   GLY  71          1HA       GLY  71   5.810   2.246   2.246
  459   2HA   GLY  71          2HA       GLY  71   7.143   2.372   2.372
  460    H    SER  72           HN       SER  72   6.921  -0.810  -0.810
  461    HA   SER  72           HA       SER  72   8.494  -1.175  -1.175
  462   1HB   SER  72          2HB       SER  72   8.732  -2.839  -2.839
  463   2HB   SER  72          3HB       SER  72   9.841  -2.797  -2.797
  464    HG   SER  72           HG       SER  72   9.968  -1.327  -1.327
  465    HA   PRO  73           HA       PRO  73   4.894  -3.868  -3.868
  466   1HB   PRO  73          2HB       PRO  73   4.395  -3.361  -3.361
  467   2HB   PRO  73          3HB       PRO  73   3.634  -2.475  -2.475
  468   1HG   PRO  73          2HG       PRO  73   5.808  -1.610  -1.610
  469   2HG   PRO  73          3HG       PRO  73   4.759  -0.630  -0.630
  470   1HD   PRO  73          2HD       PRO  73   7.493  -1.319  -1.319
  471   2HD   PRO  73          3HD       PRO  73   6.409  -0.436  -0.436
  472    H    GLY  74           HN       GLY  74   7.467  -3.486  -3.486
  473   1HA   GLY  74          1HA       GLY  74   8.825  -5.697  -5.697
  474   2HA   GLY  74          2HA       GLY  74   7.351  -6.377  -6.377
  475    H    ALA  75           HN       ALA  75   7.320  -6.594  -6.594
  476    HA   ALA  75           HA       ALA  75   8.885  -4.637  -4.637
  477   1HB   ALA  75          3HB       ALA  75   9.710  -7.077  -7.077
  478   2HB   ALA  75          1HB       ALA  75   8.284  -7.486  -7.486
  479   3HB   ALA  75          2HB       ALA  75   9.517  -6.375  -6.375
  480    H    ASP  76           HN       ASP  76   5.990  -6.805  -6.805
  481    HA   ASP  76           HA       ASP  76   4.876  -5.903  -5.903
  482   1HB   ASP  76          2HB       ASP  76   3.191  -6.611  -6.611
  483   2HB   ASP  76          3HB       ASP  76   2.877  -6.978  -6.978
  484    H    ARG  77           HN       ARG  77   3.842  -3.953  -3.953
  485    HA   ARG  77           HA       ARG  77   2.682  -2.448  -2.448
  486   1HB   ARG  77          2HB       ARG  77   4.642  -1.136  -1.136
  487   2HB   ARG  77          3HB       ARG  77   3.846  -0.365  -0.365
  488   1HG   ARG  77          2HG       ARG  77   5.406  -2.811  -2.811
  489   2HG   ARG  77          3HG       ARG  77   6.369  -1.474  -1.474
  490   1HD   ARG  77          2HD       ARG  77   4.552  -0.264  -0.264
  491   2HD   ARG  77          3HD       ARG  77   4.992  -1.767  -1.767
  492    HE   ARG  77           HE       ARG  77   6.827   0.462   0.462
  493   1HH1  ARG  77           HH2      ARG  77   6.438  -2.797  -2.797
  494   2HH1  ARG  77           HH2      ARG  77   7.990  -2.822  -2.822
  495   1HH2  ARG  77           HH1      ARG  77   8.876   0.430   0.430
  496   2HH2  ARG  77           HH1      ARG  77   9.386  -0.973  -0.973
  497    H    VAL  78           HN       VAL  78   0.980  -1.017  -1.017
  498    HA   VAL  78           HA       VAL  78   0.284  -1.436  -1.436
  499    HB   VAL  78           HB       VAL  78  -1.902  -1.607  -1.607
  500   1HG1  VAL  78          1HG1      VAL  78  -0.727  -3.444  -3.444
  501   2HG1  VAL  78          2HG1      VAL  78  -0.520  -2.453  -2.453
  502   3HG1  VAL  78          3HG1      VAL  78  -2.150  -2.950  -2.950
  503   1HG2  VAL  78          2HG2      VAL  78  -1.221   0.440   0.440
  504   2HG2  VAL  78          3HG2      VAL  78  -2.668   0.267   0.267
  505   3HG2  VAL  78          1HG2      VAL  78  -2.514  -0.690  -0.690
  506    H    VAL  79           HN       VAL  79  -0.789   0.404   0.404
  507    HA   VAL  79           HA       VAL  79  -0.206   2.985   2.985
  508    HB   VAL  79           HB       VAL  79   0.736   2.053   2.053
  509   1HG1  VAL  79          3HG1      VAL  79  -0.183   4.611   4.611
  510   2HG1  VAL  79          1HG1      VAL  79   1.588   4.725   4.725
  511   3HG1  VAL  79          2HG1      VAL  79   0.837   4.164   4.164
  512   1HG2  VAL  79          2HG2      VAL  79   1.989   1.786   1.786
  513   2HG2  VAL  79          3HG2      VAL  79   2.823   1.927   1.927
  514   3HG2  VAL  79          1HG2      VAL  79   2.606   3.366   3.366
  515    H    PHE  80           HN       PHE  80  -2.457   3.257   3.257
  516    HA   PHE  80           HA       PHE  80  -4.110   3.157   3.157
  517   1HB   PHE  80          2HB       PHE  80  -5.947   3.170   3.170
  518   2HB   PHE  80          3HB       PHE  80  -4.759   1.990   1.990
  519    HD1  PHE  80           HD2      PHE  80  -2.977   2.825   2.825
  520    HD2  PHE  80           HD1      PHE  80  -6.654   4.811   4.811
  521    HE1  PHE  80           HE2      PHE  80  -2.803   3.972   3.972
  522    HE2  PHE  80           HE1      PHE  80  -6.480   5.958   5.958
  523    HZ   PHE  80           HZ       PHE  80  -4.557   5.525   5.525
  524    H    ASN  81           HN       ASN  81  -6.130   4.986   4.986
  525    HA   ASN  81           HA       ASN  81  -4.632   7.477   7.477
  526   1HB   ASN  81          2HB       ASN  81  -7.232   7.433   7.433
  527   2HB   ASN  81          3HB       ASN  81  -5.791   8.381   8.381
  528   1HD2  ASN  81          2HD2      ASN  81  -6.132   4.489   4.489
  529   2HD2  ASN  81          1HD2      ASN  81  -7.031   5.056   5.056
  530    H    GLU  82           HN       GLU  82  -6.971   9.183   9.183
  531    HA   GLU  82           HA       GLU  82  -7.995   8.533   8.533
  532   1HB   GLU  82          2HB       GLU  82  -7.074  10.864  10.864
  533   2HB   GLU  82          3HB       GLU  82  -8.719  11.054  11.054
  534   1HG   GLU  82          2HG       GLU  82  -9.553  10.585  10.585
  535   2HG   GLU  82          3HG       GLU  82  -7.893  10.480  10.480
  536    H    ASN  83           HN       ASN  83  -8.807   7.308   7.308
  537    HA   ASN  83           HA       ASN  83 -11.626   7.991   7.991
  538   1HB   ASN  83          2HB       ASN  83 -11.243   6.230   6.230
  539   2HB   ASN  83          3HB       ASN  83 -11.400   7.973   7.973
  540   1HD2  ASN  83          2HD2      ASN  83  -7.812   6.058   6.058
  541   2HD2  ASN  83          1HD2      ASN  83  -9.259   5.250   5.250
  542    H    ASN  84           HN       ASN  84  -9.195   5.538   5.538
  543    HA   ASN  84           HA       ASN  84  -9.686   3.839   3.839
  544   1HB   ASN  84          2HB       ASN  84 -11.794   2.745   2.745
  545   2HB   ASN  84          3HB       ASN  84 -12.243   4.392   4.392
  546   1HD2  ASN  84          2HD2      ASN  84 -12.294   3.198   3.198
  547   2HD2  ASN  84          1HD2      ASN  84 -11.113   4.078   4.078
  548    H    GLN  85           HN       GLN  85  -8.642   4.290   4.290
  549    HA   GLN  85           HA       GLN  85  -8.906   1.553   1.553
  550   1HB   GLN  85          2HB       GLN  85  -7.990   4.073   4.073
  551   2HB   GLN  85          3HB       GLN  85  -8.056   2.477   2.477
  552   1HG   GLN  85          2HG       GLN  85 -10.476   2.361   2.361
  553   2HG   GLN  85          3HG       GLN  85 -10.491   3.806   3.806
  554   1HE2  GLN  85          2HE2      GLN  85  -9.651   6.023   6.023
  555   2HE2  GLN  85          1HE2      GLN  85  -9.116   5.654   5.654
  556    H    LEU  86           HN       LEU  86  -7.240   0.201   0.201
  557    HA   LEU  86           HA       LEU  86  -4.659   1.429   1.429
  558   1HB   LEU  86          2HB       LEU  86  -5.454   0.122   0.122
  559   2HB   LEU  86          3HB       LEU  86  -5.957  -1.183  -1.183
  560    HG   LEU  86           HG       LEU  86  -3.086  -0.395  -0.395
  561   1HD1  LEU  86          2HD1      LEU  86  -4.956  -2.328  -2.328
  562   2HD1  LEU  86          3HD1      LEU  86  -3.283  -2.872  -2.872
  563   3HD1  LEU  86          1HD1      LEU  86  -3.598  -1.410  -1.410
  564   1HD2  LEU  86          2HD2      LEU  86  -4.268  -2.031  -2.031
  565   2HD2  LEU  86          3HD2      LEU  86  -2.584  -1.493  -1.493
  566   3HD2  LEU  86          1HD2      LEU  86  -3.156  -2.975  -2.975
  567    H    ALA  87           HN       ALA  87  -2.721   0.717   0.717
  568    HA   ALA  87           HA       ALA  87  -2.918  -1.236  -1.236
  569   1HB   ALA  87          1HB       ALA  87  -2.354   1.697   1.697
  570   2HB   ALA  87          2HB       ALA  87  -2.128   0.357   0.357
  571   3HB   ALA  87          3HB       ALA  87  -3.757   0.753   0.753
  572    H    GLY  88           HN       GLY  88  -1.139   1.195   1.195
  573   1HA   GLY  88          1HA       GLY  88   1.465   0.549   0.549
  574   2HA   GLY  88          2HA       GLY  88   0.979   1.251   1.251
  575    H    VAL  89           HN       VAL  89   0.361  -1.975  -1.975
  576    HA   VAL  89           HA       VAL  89   0.782  -3.278  -3.278
  577    HB   VAL  89           HB       VAL  89  -0.197  -3.946  -3.946
  578   1HG1  VAL  89          1HG1      VAL  89   1.286  -5.948  -5.948
  579   2HG1  VAL  89          2HG1      VAL  89   0.014  -6.439  -6.439
  580   3HG1  VAL  89          3HG1      VAL  89   1.473  -5.611  -5.611
  581   1HG2  VAL  89          1HG2      VAL  89  -1.116  -3.952  -3.952
  582   2HG2  VAL  89          2HG2      VAL  89  -2.053  -4.054  -4.054
  583   3HG2  VAL  89          3HG2      VAL  89  -1.409  -5.535  -5.535
  584    H    ILE  90           HN       ILE  90   3.052  -1.722  -1.722
  585    HA   ILE  90           HA       ILE  90   4.934  -3.376  -3.376
  586    HB   ILE  90           HB       ILE  90   6.492  -1.687  -1.687
  587   1HG1  ILE  90          2HG1      ILE  90   5.328  -1.599  -1.599
  588   2HG1  ILE  90          3HG1      ILE  90   6.678  -0.641  -0.641
  589   1HG2  ILE  90          3HG2      ILE  90   4.546  -1.123  -1.123
  590   2HG2  ILE  90          1HG2      ILE  90   3.866  -0.198  -0.198
  591   3HG2  ILE  90          2HG2      ILE  90   5.444   0.259   0.259
  592   1HD1  ILE  90          2HD1      ILE  90   5.049   1.077   1.077
  593   2HD1  ILE  90          3HD1      ILE  90   3.727   0.124   0.124
  594   3HD1  ILE  90          1HD1      ILE  90   4.965   0.858   0.858
  595    H    THR  91           HN       THR  91   7.159  -3.800  -3.800
  596    HA   THR  91           HA       THR  91   6.883  -4.554  -4.554
  597    HB   THR  91           HB       THR  91   5.654  -6.466  -6.466
  598    HG1  THR  91           HG1      THR  91   7.314  -7.748  -7.748
  599   1HG2  THR  91          2HG2      THR  91   7.392  -6.701  -6.701
  600   2HG2  THR  91          3HG2      THR  91   6.036  -7.766  -7.766
  601   3HG2  THR  91          1HG2      THR  91   5.730  -6.064  -6.064
  602    H    HIS  92           HN       HIS  92   8.877  -5.366  -5.366
  603    HA   HIS  92           HA       HIS  92  11.105  -4.355  -4.355
  604   1HB   HIS  92          2HB       HIS  92  10.636  -5.174  -5.174
  605   2HB   HIS  92          3HB       HIS  92  12.278  -5.080  -5.080
  606    HD1  HIS  92           HD1      HIS  92  13.101  -2.980  -2.980
  607    HD2  HIS  92           HD2      HIS  92   9.431  -2.425  -2.425
  608    HE1  HIS  92           HE1      HIS  92  12.602  -0.480  -0.480
  609    HE2  HIS  92           HE2      HIS  92  10.363  -0.194  -0.194
  610    H    THR  93           HN       THR  93   9.437  -7.150  -7.150
  611    HA   THR  93           HA       THR  93  11.672  -8.989  -8.989
  612    HB   THR  93           HB       THR  93   8.681  -9.084  -9.084
  613    HG1  THR  93           HG1      THR  93   9.603  -9.599  -9.599
  614   1HG2  THR  93          3HG2      THR  93  10.536 -11.375 -11.375
  615   2HG2  THR  93          1HG2      THR  93   8.767 -11.468 -11.468
  616   3HG2  THR  93          2HG2      THR  93   9.486 -10.470 -10.470
  617    H    GLY  94           HN       GLY  94  10.181  -6.882  -6.882
  618   1HA   GLY  94          1HA       GLY  94  11.717  -8.255  -8.255
  619   2HA   GLY  94          2HA       GLY  94  10.146  -7.523  -7.523
  620    H    ALA  95           HN       ALA  95  12.739  -6.195  -6.195
  621    HA   ALA  95           HA       ALA  95  13.164  -4.080  -4.080
  622   1HB   ALA  95          2HB       ALA  95  11.535  -3.498  -3.498
  623   2HB   ALA  95          3HB       ALA  95  12.974  -3.541  -3.541
  624   3HB   ALA  95          1HB       ALA  95  12.890  -2.384  -2.384
  625    H    SER  96           HN       SER  96  14.275  -5.806  -5.806
  626    HA   SER  96           HA       SER  96  16.267  -6.529  -6.529
  627   1HB   SER  96          2HB       SER  96  16.633  -6.744  -6.744
  628   2HB   SER  96          3HB       SER  96  17.480  -5.212  -5.212
  629    HG   SER  96           HG       SER  96  18.173  -7.692  -7.692
  630    H    GLY  97           HN       GLY  97  15.404  -4.421  -4.421
  631   1HA   GLY  97          1HA       GLY  97  17.344  -3.200  -3.200
  632   2HA   GLY  97          2HA       GLY  97  17.341  -2.233  -2.233
  633    H    ASN  98           HN       ASN  98  16.418  -0.294  -0.294
  634    HA   ASN  98           HA       ASN  98  14.113  -0.380  -0.380
  635   1HB   ASN  98          2HB       ASN  98  16.139   1.318   1.318
  636   2HB   ASN  98          3HB       ASN  98  15.331   2.130   2.130
  637   1HD2  ASN  98          2HD2      ASN  98  12.283   2.121   2.121
  638   2HD2  ASN  98          1HD2      ASN  98  12.719   1.014   1.014
  639    H    ASN  99           HN       ASN  99  14.883  -0.482  -0.482
  640    HA   ASN  99           HA       ASN  99  13.009   1.260   1.260
  641   1HB   ASN  99          2HB       ASN  99  13.212  -0.751  -0.751
  642   2HB   ASN  99          3HB       ASN  99  14.352   0.570   0.570
  643   1HD2  ASN  99          2HD2      ASN  99  15.408  -2.752  -2.752
  644   2HD2  ASN  99          1HD2      ASN  99  13.872  -1.969  -1.969
  645    H    PHE 100           HN       PHE 100  10.959   0.555   0.555
  646    HA   PHE 100           HA       PHE 100   9.719  -1.749  -1.749
  647   1HB   PHE 100          2HB       PHE 100   8.800   1.081   1.081
  648   2HB   PHE 100          3HB       PHE 100   7.600  -0.189  -0.189
  649    HD1  PHE 100           HD2      PHE 100   8.171  -1.749  -1.749
  650    HD2  PHE 100           HD1      PHE 100   8.871   2.407   2.407
  651    HE1  PHE 100           HE2      PHE 100   8.079  -1.438  -1.438
  652    HE2  PHE 100           HE1      PHE 100   8.778   2.718   2.718
  653    HZ   PHE 100           HZ       PHE 100   8.383   0.792   0.792
  654    H    VAL 101           HN       VAL 101   7.810  -2.656  -2.656
  655    HA   VAL 101           HA       VAL 101   7.699  -2.062  -2.062
  656    HB   VAL 101           HB       VAL 101   8.474  -4.249  -4.249
  657   1HG1  VAL 101          1HG1      VAL 101   9.977  -2.217  -2.217
  658   2HG1  VAL 101          2HG1      VAL 101  10.668  -2.906  -2.906
  659   3HG1  VAL 101          3HG1      VAL 101  10.816  -3.787  -3.787
  660   1HG2  VAL 101          2HG2      VAL 101   8.121  -5.256  -5.256
  661   2HG2  VAL 101          3HG2      VAL 101   9.377  -5.908  -5.908
  662   3HG2  VAL 101          1HG2      VAL 101   9.821  -4.778  -4.778
  663    H    GLU 102           HN       GLU 102   5.618  -2.411  -2.411
  664    HA   GLU 102           HA       GLU 102   3.758  -3.305  -3.305
  665   1HB   GLU 102          2HB       GLU 102   2.443  -3.759  -3.759
  666   2HB   GLU 102          3HB       GLU 102   2.766  -2.139  -2.139
  667   1HG   GLU 102          2HG       GLU 102   4.686  -1.888  -1.888
  668   2HG   GLU 102          3HG       GLU 102   4.714  -3.598  -3.598
  669    H    CYS 103           HN       CYS 103   3.175  -5.289  -5.289
  670    HA   CYS 103           HA       CYS 103   4.566  -7.561  -7.561
  671   1HB   CYS 103          2HB       CYS 103   1.730  -7.257  -7.257
  672   2HB   CYS 103          3HB       CYS 103   2.608  -8.774  -8.774
  673    H    THR 104           HN       THR 104   3.073  -9.689  -9.689
  674    HA   THR 104           HA       THR 104   2.202  -8.960  -8.960
  675    HB   THR 104           HB       THR 104   2.989 -11.250 -11.250
  676    HG1  THR 104           HG1      THR 104   3.238 -12.611 -12.611
  677   1HG2  THR 104          3HG2      THR 104   4.724  -9.356  -9.356
  678   2HG2  THR 104          1HG2      THR 104   5.098  -9.936  -9.936
  679   3HG2  THR 104          2HG2      THR 104   5.381 -10.992 -10.992

  Start of MODEL   19
    1    H    ALA   1           HN       ALA   1  -5.446 -16.313 -16.313
    2    HA   ALA   1           HA       ALA   1  -7.040 -14.356 -14.356
    3   1HB   ALA   1          3HB       ALA   1  -8.896 -15.838 -15.838
    4   2HB   ALA   1          1HB       ALA   1  -8.291 -15.307 -15.307
    5   3HB   ALA   1          2HB       ALA   1  -8.915 -14.111 -14.111
    6    H    CYS   2           HN       CYS   2  -4.524 -14.156 -14.156
    7    HA   CYS   2           HA       CYS   2  -4.255 -12.988 -12.988
    8   1HB   CYS   2          2HB       CYS   2  -1.729 -13.440 -13.440
    9   2HB   CYS   2          3HB       CYS   2  -2.302 -13.996 -13.996
   10    H    ASP   3           HN       ASP   3  -5.528 -11.244 -11.244
   11    HA   ASP   3           HA       ASP   3  -4.557  -9.911  -9.911
   12   1HB   ASP   3          2HB       ASP   3  -5.642  -8.704  -8.704
   13   2HB   ASP   3          3HB       ASP   3  -5.471  -7.796  -7.796
   14    H    TYR   4           HN       TYR   4  -3.179 -10.090 -10.090
   15    HA   TYR   4           HA       TYR   4  -0.925  -8.459  -8.459
   16   1HB   TYR   4          2HB       TYR   4  -2.472  -8.349  -8.349
   17   2HB   TYR   4          3HB       TYR   4  -0.987  -7.467  -7.467
   18    HD1  TYR   4           HD2      TYR   4  -0.973  -5.678  -5.678
   19    HD2  TYR   4           HD1      TYR   4  -4.570  -7.450  -7.450
   20    HE1  TYR   4           HE2      TYR   4  -2.322  -3.728  -3.728
   21    HE2  TYR   4           HE1      TYR   4  -5.907  -5.494  -5.494
   22    HH   TYR   4           HH       TYR   4  -5.858  -3.663  -3.663
   23    H    THR   5           HN       THR   5   0.764  -9.864  -9.864
   24    HA   THR   5           HA       THR   5   0.982 -11.656 -11.656
   25    HB   THR   5           HB       THR   5   1.092 -12.138 -12.138
   26    HG1  THR   5           HG1      THR   5  -0.280 -12.960 -12.960
   27   1HG2  THR   5          1HG2      THR   5   2.986 -13.539 -13.539
   28   2HG2  THR   5          2HG2      THR   5   2.663 -14.055 -14.055
   29   3HG2  THR   5          3HG2      THR   5   3.499 -12.515 -12.515
   30    H    CYS   6           HN       CYS   6   2.436 -10.753 -10.753
   31    HA   CYS   6           HA       CYS   6   4.584  -9.208  -9.208
   32   1HB   CYS   6          2HB       CYS   6   3.612  -9.889  -9.889
   33   2HB   CYS   6          3HB       CYS   6   5.254  -9.309  -9.309
   34    H    GLY   7           HN       GLY   7   5.087 -11.386 -11.386
   35   1HA   GLY   7          1HA       GLY   7   6.886 -12.752 -12.752
   36   2HA   GLY   7          2HA       GLY   7   7.390 -12.569 -12.569
   37    H    SER   8           HN       SER   8   5.074 -13.326 -13.326
   38    HA   SER   8           HA       SER   8   4.189 -15.824 -15.824
   39   1HB   SER   8          2HB       SER   8   5.261 -17.292 -17.292
   40   2HB   SER   8          3HB       SER   8   6.524 -16.091 -16.091
   41    HG   SER   8           HG       SER   8   5.387 -16.894 -16.894
   42    H    ASN   9           HN       ASN   9   2.692 -13.563 -13.563
   43    HA   ASN   9           HA       ASN   9   1.362 -14.258 -14.258
   44   1HB   ASN   9          2HB       ASN   9   1.445 -11.493 -11.493
   45   2HB   ASN   9          3HB       ASN   9   0.710 -11.877 -11.877
   46   1HD2  ASN   9          2HD2      ASN   9   4.847 -11.935 -11.935
   47   2HD2  ASN   9          1HD2      ASN   9   3.803 -12.348 -12.348
   48    H    CYS  10           HN       CYS  10  -0.962 -12.635 -12.635
   49    HA   CYS  10           HA       CYS  10  -1.986 -12.822 -12.822
   50   1HB   CYS  10          2HB       CYS  10  -1.951 -15.242 -15.242
   51   2HB   CYS  10          3HB       CYS  10  -2.984 -14.960 -14.960
   52    H    TYR  11           HN       TYR  11  -2.244 -10.583 -10.583
   53    HA   TYR  11           HA       TYR  11  -4.199 -10.343 -10.343
   54   1HB   TYR  11          2HB       TYR  11  -2.927  -8.189  -8.189
   55   2HB   TYR  11          3HB       TYR  11  -3.486  -7.994  -7.994
   56    HD1  TYR  11           HD1      TYR  11  -2.194  -9.211  -9.211
   57    HD2  TYR  11           HD2      TYR  11  -0.675  -8.730  -8.730
   58    HE1  TYR  11           HE1      TYR  11   0.164  -9.644  -9.644
   59    HE2  TYR  11           HE2      TYR  11   1.680  -9.166  -9.166
   60    HH   TYR  11           HH       TYR  11   2.896  -8.970  -8.970
   61    H    SER  12           HN       SER  12  -5.449 -11.645 -11.645
   62    HA   SER  12           HA       SER  12  -6.468 -10.581 -10.581
   63   1HB   SER  12          2HB       SER  12  -8.153 -12.096 -12.096
   64   2HB   SER  12          3HB       SER  12  -7.322 -12.547 -12.547
   65    HG   SER  12           HG       SER  12  -8.782 -11.430 -11.430
   66    H    SER  13           HN       SER  13  -8.279  -9.151  -9.151
   67    HA   SER  13           HA       SER  13  -8.177  -6.687  -6.687
   68   1HB   SER  13          2HB       SER  13 -10.228  -6.251  -6.251
   69   2HB   SER  13          3HB       SER  13  -9.546  -7.637  -7.637
   70    HG   SER  13           HG       SER  13 -11.560  -7.754  -7.754
   71    H    SER  14           HN       SER  14  -9.603  -9.420  -9.420
   72    HA   SER  14           HA       SER  14 -11.215  -7.801  -7.801
   73   1HB   SER  14          2HB       SER  14 -11.821 -10.151 -10.151
   74   2HB   SER  14          3HB       SER  14 -10.434 -10.741 -10.741
   75    HG   SER  14           HG       SER  14 -12.218  -9.036  -9.036
   76    H    ASP  15           HN       ASP  15  -7.925  -9.051  -9.051
   77    HA   ASP  15           HA       ASP  15  -7.524  -8.773  -8.773
   78   1HB   ASP  15          2HB       ASP  15  -5.994  -9.726  -9.726
   79   2HB   ASP  15          3HB       ASP  15  -5.001  -8.920  -8.920
   80    H    VAL  16           HN       VAL  16  -7.393  -6.837  -6.837
   81    HA   VAL  16           HA       VAL  16  -5.420  -4.986  -4.986
   82    HB   VAL  16           HB       VAL  16  -7.426  -5.065  -5.065
   83   1HG1  VAL  16          1HG1      VAL  16  -6.704  -2.696  -2.696
   84   2HG1  VAL  16          2HG1      VAL  16  -5.353  -2.939  -2.939
   85   3HG1  VAL  16          3HG1      VAL  16  -7.030  -2.925  -2.925
   86   1HG2  VAL  16          1HG2      VAL  16  -4.690  -5.931  -5.931
   87   2HG2  VAL  16          2HG2      VAL  16  -5.790  -6.211  -6.211
   88   3HG2  VAL  16          3HG2      VAL  16  -4.792  -4.738  -4.738
   89    H    SER  17           HN       SER  17  -8.948  -4.488  -4.488
   90    HA   SER  17           HA       SER  17  -9.338  -2.159  -2.159
   91   1HB   SER  17          2HB       SER  17 -11.048  -3.821  -3.821
   92   2HB   SER  17          3HB       SER  17 -11.227  -4.464  -4.464
   93    HG   SER  17           HG       SER  17 -12.772  -2.919  -2.919
   94    H    THR  18           HN       THR  18  -9.072  -5.285  -5.285
   95    HA   THR  18           HA       THR  18  -9.714  -4.397  -4.397
   96    HB   THR  18           HB       THR  18  -8.034  -6.590  -6.590
   97    HG1  THR  18           HG1      THR  18 -10.134  -6.450  -6.450
   98   1HG2  THR  18          1HG2      THR  18  -8.214  -5.937  -5.937
   99   2HG2  THR  18          2HG2      THR  18  -7.708  -7.514  -7.514
  100   3HG2  THR  18          3HG2      THR  18  -6.721  -6.064  -6.064
  101    H    ALA  19           HN       ALA  19  -6.431  -4.469  -4.469
  102    HA   ALA  19           HA       ALA  19  -5.141  -3.282  -3.282
  103   1HB   ALA  19          2HB       ALA  19  -4.508  -4.280  -4.280
  104   2HB   ALA  19          3HB       ALA  19  -3.944  -2.593  -2.593
  105   3HB   ALA  19          1HB       ALA  19  -3.373  -3.733  -3.733
  106    H    GLN  20           HN       GLN  20  -6.750  -1.906  -1.906
  107    HA   GLN  20           HA       GLN  20  -5.948   0.695   0.695
  108   1HB   GLN  20          2HB       GLN  20  -8.688   0.044   0.044
  109   2HB   GLN  20          3HB       GLN  20  -7.550   1.267   1.267
  110   1HG   GLN  20          2HG       GLN  20  -5.997  -0.576  -0.576
  111   2HG   GLN  20          3HG       GLN  20  -7.216  -1.752  -1.752
  112   1HE2  GLN  20          2HE2      GLN  20  -8.128   0.946   0.946
  113   2HE2  GLN  20          1HE2      GLN  20  -7.255   1.429   1.429
  114    H    ALA  21           HN       ALA  21  -9.088  -0.887  -0.887
  115    HA   ALA  21           HA       ALA  21 -10.423   1.025   1.025
  116   1HB   ALA  21          2HB       ALA  21 -10.493  -1.690  -1.690
  117   2HB   ALA  21          3HB       ALA  21 -10.027  -1.358  -1.358
  118   3HB   ALA  21          1HB       ALA  21 -11.525  -0.661  -0.661
  119    H    ALA  22           HN       ALA  22  -7.360  -0.384  -0.384
  120    HA   ALA  22           HA       ALA  22  -7.482   1.151   1.151
  121   1HB   ALA  22          1HB       ALA  22  -6.371  -1.177  -1.177
  122   2HB   ALA  22          2HB       ALA  22  -5.012  -0.196  -0.196
  123   3HB   ALA  22          3HB       ALA  22  -5.554  -0.029  -0.029
  124    H    GLY  23           HN       GLY  23  -5.453   1.152   1.152
  125   1HA   GLY  23          1HA       GLY  23  -3.951   3.417   3.417
  126   2HA   GLY  23          2HA       GLY  23  -4.318   2.804   2.804
  127    H    TYR  24           HN       TYR  24  -7.156   3.072   3.072
  128    HA   TYR  24           HA       TYR  24  -7.364   5.817   5.817
  129   1HB   TYR  24          2HB       TYR  24  -8.592   3.459   3.459
  130   2HB   TYR  24          3HB       TYR  24  -9.725   3.980   3.980
  131    HD1  TYR  24           HD2      TYR  24  -8.050   5.201   5.201
  132    HD2  TYR  24           HD1      TYR  24 -11.479   5.419   5.419
  133    HE1  TYR  24           HE2      TYR  24  -9.229   6.680   6.680
  134    HE2  TYR  24           HE1      TYR  24 -12.646   6.896   6.896
  135    HH   TYR  24           HH       TYR  24 -12.489   7.232   7.232
  136    H    LYS  25           HN       LYS  25  -9.289   3.848   3.848
  137    HA   LYS  25           HA       LYS  25 -10.538   5.897   5.897
  138   1HB   LYS  25          2HB       LYS  25 -10.954   3.488   3.488
  139   2HB   LYS  25          3HB       LYS  25  -9.463   3.368   3.368
  140   1HG   LYS  25          2HG       LYS  25 -11.246   3.643   3.643
  141   2HG   LYS  25          3HG       LYS  25 -10.355   5.152   5.152
  142   1HD   LYS  25          2HD       LYS  25 -12.040   6.209   6.209
  143   2HD   LYS  25          3HD       LYS  25 -12.861   4.682   4.682
  144   1HE   LYS  25          2HE       LYS  25 -12.553   6.026   6.026
  145   2HE   LYS  25          3HE       LYS  25 -13.980   6.158   6.158
  146   1HZ   LYS  25          2HZ       LYS  25 -13.957   3.644   3.644
  147   2HZ   LYS  25          3HZ       LYS  25 -12.916   3.769   3.769
  148   3HZ   LYS  25          1HZ       LYS  25 -14.413   4.410   4.410
  149    H    LEU  26           HN       LEU  26  -7.302   4.508   4.508
  150    HA   LEU  26           HA       LEU  26  -6.826   6.353   6.353
  151   1HB   LEU  26          2HB       LEU  26  -5.646   4.291   4.291
  152   2HB   LEU  26          3HB       LEU  26  -5.019   4.634   4.634
  153    HG   LEU  26           HG       LEU  26  -3.700   6.528   6.528
  154   1HD1  LEU  26          3HD1      LEU  26  -5.267   6.700   6.700
  155   2HD1  LEU  26          1HD1      LEU  26  -4.290   5.380   5.380
  156   3HD1  LEU  26          2HD1      LEU  26  -3.520   6.926   6.926
  157   1HD2  LEU  26          1HD2      LEU  26  -2.895   4.107   4.107
  158   2HD2  LEU  26          2HD2      LEU  26  -1.922   5.182   5.182
  159   3HD2  LEU  26          3HD2      LEU  26  -2.993   3.969   3.969
  160    H    HIS  27           HN       HIS  27  -6.417   6.481   6.481
  161    HA   HIS  27           HA       HIS  27  -4.744   8.742   8.742
  162   1HB   HIS  27          2HB       HIS  27  -4.779   7.323   7.323
  163   2HB   HIS  27          3HB       HIS  27  -6.517   7.459   7.459
  164    HD1  HIS  27           HD1      HIS  27  -3.612   9.984   9.984
  165    HD2  HIS  27           HD2      HIS  27  -7.132   9.134   9.134
  166    HE1  HIS  27           HE1      HIS  27  -3.789  11.751  11.751
  167    HE2  HIS  27           HE2      HIS  27  -5.943  11.145  11.145
  168    H    GLU  28           HN       GLU  28  -8.318   8.287   8.287
  169    HA   GLU  28           HA       GLU  28  -8.877  10.965  10.965
  170   1HB   GLU  28          2HB       GLU  28 -11.051   9.687   9.687
  171   2HB   GLU  28          3HB       GLU  28 -10.941  10.105  10.105
  172   1HG   GLU  28          2HG       GLU  28  -9.764   7.984   7.984
  173   2HG   GLU  28          3HG       GLU  28  -9.733   7.576   7.576
  174    H    ASP  29           HN       ASP  29  -7.964   9.159   9.159
  175    HA   ASP  29           HA       ASP  29  -9.117  11.054  11.054
  176   1HB   ASP  29          2HB       ASP  29  -7.139   8.763   8.763
  177   2HB   ASP  29          3HB       ASP  29  -7.791   9.721   9.721
  178    H    GLY  30           HN       GLY  30  -6.162  10.563  10.563
  179   1HA   GLY  30          1HA       GLY  30  -4.382  11.936  11.936
  180   2HA   GLY  30          2HA       GLY  30  -5.058  13.051  13.051
  181    H    GLU  31           HN       GLU  31  -4.778   9.668   9.668
  182    HA   GLU  31           HA       GLU  31  -2.697  10.481  10.481
  183   1HB   GLU  31          2HB       GLU  31  -4.788   8.303   8.303
  184   2HB   GLU  31          3HB       GLU  31  -3.349   8.078   8.078
  185   1HG   GLU  31          2HG       GLU  31  -5.065  10.595  10.595
  186   2HG   GLU  31          3HG       GLU  31  -5.348   9.193   9.193
  187    H    THR  32           HN       THR  32  -1.195   8.412   8.412
  188    HA   THR  32           HA       THR  32  -0.374   7.147   7.147
  189    HB   THR  32           HB       THR  32   1.953   7.709   7.709
  190    HG1  THR  32           HG1      THR  32   2.384   8.202   8.202
  191   1HG2  THR  32          2HG2      THR  32   0.425   9.620   9.620
  192   2HG2  THR  32          3HG2      THR  32   0.420  10.239  10.239
  193   3HG2  THR  32          1HG2      THR  32   1.953  10.104  10.104
  194    H    VAL  33           HN       VAL  33   1.467   5.420   5.420
  195    HA   VAL  33           HA       VAL  33   0.574   4.050   4.050
  196    HB   VAL  33           HB       VAL  33   0.260   1.995   1.995
  197   1HG1  VAL  33          2HG1      VAL  33  -1.331   4.250   4.250
  198   2HG1  VAL  33          3HG1      VAL  33  -1.191   3.391   3.391
  199   3HG1  VAL  33          1HG1      VAL  33  -1.805   2.538   2.538
  200   1HG2  VAL  33          3HG2      VAL  33   1.259   3.366   3.366
  201   2HG2  VAL  33          1HG2      VAL  33   2.084   2.084   2.084
  202   3HG2  VAL  33          2HG2      VAL  33   0.562   1.729   1.729
  203    H    GLY  34           HN       GLY  34   2.273   3.345   3.345
  204   1HA   GLY  34          1HA       GLY  34   4.352   2.563   2.563
  205   2HA   GLY  34          2HA       GLY  34   4.729   2.497   2.497
  206    H    SER  35           HN       SER  35   6.828   3.454   3.454
  207    HA   SER  35           HA       SER  35   6.780   6.157   6.157
  208   1HB   SER  35          2HB       SER  35   8.954   4.118   4.118
  209   2HB   SER  35          3HB       SER  35   9.377   5.812   5.812
  210    HG   SER  35           HG       SER  35   8.091   4.128   4.128
  211    H    ASN  36           HN       ASN  36   5.752   5.130   5.130
  212    HA   ASN  36           HA       ASN  36   7.544   6.702   6.702
  213   1HB   ASN  36          2HB       ASN  36   5.883   4.281   4.281
  214   2HB   ASN  36          3HB       ASN  36   5.644   5.476   5.476
  215   1HD2  ASN  36          2HD2      ASN  36   8.332   3.642   3.642
  216   2HD2  ASN  36          1HD2      ASN  36   6.610   3.713   3.713
  217    H    SER  37           HN       SER  37   5.691   7.278   7.278
  218    HA   SER  37           HA       SER  37   3.676   8.839   8.839
  219   1HB   SER  37          2HB       SER  37   4.117  10.730  10.730
  220   2HB   SER  37          3HB       SER  37   5.727  10.070  10.070
  221    HG   SER  37           HG       SER  37   5.208  10.668  10.668
  222    H    TYR  38           HN       TYR  38   3.264   6.171   6.171
  223    HA   TYR  38           HA       TYR  38   1.901   6.492   6.492
  224   1HB   TYR  38          2HB       TYR  38   2.546   4.182   4.182
  225   2HB   TYR  38          3HB       TYR  38   1.659   3.933   3.933
  226    HD1  TYR  38           HD2      TYR  38   4.616   6.152   6.152
  227    HD2  TYR  38           HD1      TYR  38   3.114   2.567   2.567
  228    HE1  TYR  38           HE2      TYR  38   6.806   5.855   5.855
  229    HE2  TYR  38           HE1      TYR  38   5.309   2.282   2.282
  230    HH   TYR  38           HH       TYR  38   7.984   4.560   4.560
  231    HA   PRO  39           HA       PRO  39   0.504   5.510   5.510
  232   1HB   PRO  39          2HB       PRO  39  -1.724   6.419   6.419
  233   2HB   PRO  39          3HB       PRO  39  -1.529   4.757   4.757
  234   1HG   PRO  39          2HG       PRO  39  -3.199   6.888   6.888
  235   2HG   PRO  39          3HG       PRO  39  -3.306   5.154   5.154
  236   1HD   PRO  39          2HD       PRO  39  -2.197   7.060   7.060
  237   2HD   PRO  39          3HD       PRO  39  -2.200   5.316   5.316
  238    H    HIS  40           HN       HIS  40   0.265   7.013   7.013
  239    HA   HIS  40           HA       HIS  40   0.148   9.712   9.712
  240   1HB   HIS  40          2HB       HIS  40   2.386  10.482  10.482
  241   2HB   HIS  40          3HB       HIS  40   1.980   9.414   9.414
  242    HD1  HIS  40           HD1      HIS  40   4.122   9.580   9.580
  243    HD2  HIS  40           HD2      HIS  40   3.545   7.100   7.100
  244    HE1  HIS  40           HE1      HIS  40   6.047   7.904   7.904
  245    HE2  HIS  40           HE2      HIS  40   5.668   6.443   6.443
  246    H    LYS  41           HN       LYS  41   1.266  10.897  10.897
  247    HA   LYS  41           HA       LYS  41   0.593   9.757   9.757
  248   1HB   LYS  41          2HB       LYS  41   1.573  12.167  12.167
  249   2HB   LYS  41          3HB       LYS  41   2.957  11.545  11.545
  250   1HG   LYS  41          2HG       LYS  41   1.806  12.471  12.471
  251   2HG   LYS  41          3HG       LYS  41   1.078  10.877  10.877
  252   1HD   LYS  41          2HD       LYS  41  -0.762  12.408  12.408
  253   2HD   LYS  41          3HD       LYS  41  -0.746  11.808  11.808
  254   1HE   LYS  41          2HE       LYS  41  -1.023  14.199  14.199
  255   2HE   LYS  41          3HE       LYS  41   0.622  13.863  13.863
  256   1HZ   LYS  41          1HZ       LYS  41   0.569  14.214  14.214
  257   2HZ   LYS  41          2HZ       LYS  41  -0.200  15.477  15.477
  258   3HZ   LYS  41          3HZ       LYS  41   1.333  15.119  15.119
  259    H    TYR  42           HN       TYR  42   2.098   9.131   9.131
  260    HA   TYR  42           HA       TYR  42   4.502   7.760   7.760
  261   1HB   TYR  42          2HB       TYR  42   2.757   6.059   6.059
  262   2HB   TYR  42          3HB       TYR  42   1.916   6.535   6.535
  263    HD1  TYR  42           HD1      TYR  42   2.777   5.860   5.860
  264    HD2  TYR  42           HD2      TYR  42   4.637   4.532   4.532
  265    HE1  TYR  42           HE1      TYR  42   3.998   4.039   4.039
  266    HE2  TYR  42           HE2      TYR  42   5.851   2.716   2.716
  267    HH   TYR  42           HH       TYR  42   6.427   2.039   2.039
  268    H    ASN  43           HN       ASN  43   3.211   9.945   9.945
  269    HA   ASN  43           HA       ASN  43   3.135   9.864   9.864
  270   1HB   ASN  43          2HB       ASN  43   5.288  11.205  11.205
  271   2HB   ASN  43          3HB       ASN  43   5.638  11.088  11.088
  272   1HD2  ASN  43          2HD2      ASN  43   2.269  13.153  13.153
  273   2HD2  ASN  43          1HD2      ASN  43   2.893  11.792  11.792
  274    H    ASN  44           HN       ASN  44   3.387   7.624   7.624
  275    HA   ASN  44           HA       ASN  44   5.673   6.160   6.160
  276   1HB   ASN  44          2HB       ASN  44   4.713   4.777   4.777
  277   2HB   ASN  44          3HB       ASN  44   3.345   5.466   5.466
  278   1HD2  ASN  44          2HD2      ASN  44   4.254   6.488   6.488
  279   2HD2  ASN  44          1HD2      ASN  44   5.349   5.618   5.618
  280    H    TYR  45           HN       TYR  45   6.970   5.491   5.491
  281    HA   TYR  45           HA       TYR  45   7.294   7.360   7.360
  282   1HB   TYR  45          2HB       TYR  45   8.787   7.696   7.696
  283   2HB   TYR  45          3HB       TYR  45   9.800   7.779   7.779
  284    HD1  TYR  45           HD1      TYR  45   6.695   8.911   8.911
  285    HD2  TYR  45           HD2      TYR  45   9.997  10.134  10.134
  286    HE1  TYR  45           HE1      TYR  45   6.039  11.347  11.347
  287    HE2  TYR  45           HE2      TYR  45   9.331  12.565  12.565
  288    HH   TYR  45           HH       TYR  45   7.504  13.630  13.630
  289    H    GLU  46           HN       GLU  46   8.906   4.982   4.982
  290    HA   GLU  46           HA       GLU  46  10.920   4.142   4.142
  291   1HB   GLU  46          2HB       GLU  46   8.983   2.406   2.406
  292   2HB   GLU  46          3HB       GLU  46  10.549   1.862   1.862
  293   1HG   GLU  46          2HG       GLU  46   9.911   3.480   3.480
  294   2HG   GLU  46          3HG       GLU  46  11.421   2.692   2.692
  295    H    GLY  47           HN       GLY  47   7.535   3.979   3.979
  296   1HA   GLY  47          1HA       GLY  47   7.041   3.639   3.639
  297   2HA   GLY  47          2HA       GLY  47   8.189   2.315   2.315
  298    H    PHE  48           HN       PHE  48   5.393   3.325   3.325
  299    HA   PHE  48           HA       PHE  48   4.551   0.525   0.525
  300   1HB   PHE  48          2HB       PHE  48   3.996   3.012   3.012
  301   2HB   PHE  48          3HB       PHE  48   3.064   1.541   1.541
  302    HD1  PHE  48           HD2      PHE  48   4.231  -0.552  -0.552
  303    HD2  PHE  48           HD1      PHE  48   6.164   3.225   3.225
  304    HE1  PHE  48           HE2      PHE  48   5.978  -1.443  -1.443
  305    HE2  PHE  48           HE1      PHE  48   7.911   2.335   2.335
  306    HZ   PHE  48           HZ       PHE  48   7.798   0.012   0.012
  307    H    ASP  49           HN       ASP  49   2.678  -0.117  -0.117
  308    HA   ASP  49           HA       ASP  49   1.202   1.987   1.987
  309   1HB   ASP  49          2HB       ASP  49   0.572  -0.937  -0.937
  310   2HB   ASP  49          3HB       ASP  49   0.515   0.358   0.358
  311    H    PHE  50           HN       PHE  50   0.507   2.325   2.325
  312    HA   PHE  50           HA       PHE  50  -1.188   0.523   0.523
  313   1HB   PHE  50          2HB       PHE  50  -1.034   3.595   3.595
  314   2HB   PHE  50          3HB       PHE  50  -1.991   2.722   2.722
  315    HD1  PHE  50           HD1      PHE  50   0.329   0.453   0.453
  316    HD2  PHE  50           HD2      PHE  50   0.145   4.621   4.621
  317    HE1  PHE  50           HE1      PHE  50   2.338   0.264   0.264
  318    HE2  PHE  50           HE2      PHE  50   2.154   4.432   4.432
  319    HZ   PHE  50           HZ       PHE  50   3.227   2.256   2.256
  320    H    SER  51           HN       SER  51  -3.106  -0.296  -0.296
  321    HA   SER  51           HA       SER  51  -4.482   0.760   0.760
  322   1HB   SER  51          2HB       SER  51  -6.250  -0.859  -0.859
  323   2HB   SER  51          3HB       SER  51  -4.663  -1.594  -1.594
  324    HG   SER  51           HG       SER  51  -4.851  -0.863  -0.863
  325    H    VAL  52           HN       VAL  52  -4.062   2.205   2.205
  326    HA   VAL  52           HA       VAL  52  -6.770   3.349   3.349
  327    HB   VAL  52           HB       VAL  52  -6.472   3.801   3.801
  328   1HG1  VAL  52          3HG1      VAL  52  -7.324   1.581   1.581
  329   2HG1  VAL  52          1HG1      VAL  52  -5.663   0.942   0.942
  330   3HG1  VAL  52          2HG1      VAL  52  -6.374   1.515   1.515
  331   1HG2  VAL  52          3HG2      VAL  52  -3.643   2.896   2.896
  332   2HG2  VAL  52          1HG2      VAL  52  -4.238   4.342   4.342
  333   3HG2  VAL  52          2HG2      VAL  52  -4.365   2.742   2.742
  334    H    SER  53           HN       SER  53  -6.951   5.660   5.660
  335    HA   SER  53           HA       SER  53  -4.694   6.974   6.974
  336   1HB   SER  53          2HB       SER  53  -7.121   7.298   7.298
  337   2HB   SER  53          3HB       SER  53  -7.395   8.163   8.163
  338    HG   SER  53           HG       SER  53  -6.576   9.253   9.253
  339    H    SER  54           HN       SER  54  -4.227   9.329   9.329
  340    HA   SER  54           HA       SER  54  -3.411   8.972   8.972
  341   1HB   SER  54          2HB       SER  54  -2.550  11.315  11.315
  342   2HB   SER  54          3HB       SER  54  -2.037  10.262  10.262
  343    HG   SER  54           HG       SER  54  -4.223  11.211  11.211
  344    HA   PRO  55           HA       PRO  55  -2.759  10.847  10.847
  345   1HB   PRO  55          2HB       PRO  55  -2.885  11.165  11.165
  346   2HB   PRO  55          3HB       PRO  55  -2.843  12.511  12.511
  347   1HG   PRO  55          2HG       PRO  55  -5.134  11.450  11.450
  348   2HG   PRO  55          3HG       PRO  55  -4.961  13.011  13.011
  349   1HD   PRO  55          2HD       PRO  55  -6.484  10.777  10.777
  350   2HD   PRO  55          3HD       PRO  55  -6.216  12.297  12.297
  351    H    TYR  56           HN       TYR  56  -1.229   9.595   9.595
  352    HA   TYR  56           HA       TYR  56  -2.462   6.940   6.940
  353   1HB   TYR  56          2HB       TYR  56   0.337   7.948   7.948
  354   2HB   TYR  56          3HB       TYR  56   0.034   6.265   6.265
  355    HD1  TYR  56           HD1      TYR  56  -2.875   6.509   6.509
  356    HD2  TYR  56           HD2      TYR  56   1.148   7.264   7.264
  357    HE1  TYR  56           HE1      TYR  56  -3.536   6.084   6.084
  358    HE2  TYR  56           HE2      TYR  56   0.473   6.835   6.835
  359    HH   TYR  56           HH       TYR  56  -2.844   5.852   5.852
  360    H    TYR  57           HN       TYR  57  -2.491   6.136   6.136
  361    HA   TYR  57           HA       TYR  57  -0.698   7.425   7.425
  362   1HB   TYR  57          2HB       TYR  57  -3.372   5.909   5.909
  363   2HB   TYR  57          3HB       TYR  57  -2.526   6.621   6.621
  364    HD1  TYR  57           HD2      TYR  57  -1.794   9.017   9.017
  365    HD2  TYR  57           HD1      TYR  57  -5.295   7.334   7.334
  366    HE1  TYR  57           HE2      TYR  57  -3.042  11.202  11.202
  367    HE2  TYR  57           HE1      TYR  57  -6.531   9.524   9.524
  368    HH   TYR  57           HH       TYR  57  -5.214  12.286  12.286
  369    H    GLU  58           HN       GLU  58   1.009   6.191   6.191
  370    HA   GLU  58           HA       GLU  58   0.945   3.400   3.400
  371   1HB   GLU  58          2HB       GLU  58   3.280   3.472   3.472
  372   2HB   GLU  58          3HB       GLU  58   3.024   4.567   4.567
  373   1HG   GLU  58          2HG       GLU  58   2.928   6.487   6.487
  374   2HG   GLU  58          3HG       GLU  58   2.605   5.532   5.532
  375    H    TRP  59           HN       TRP  59   0.880   1.675   1.675
  376    HA   TRP  59           HA       TRP  59   0.923   2.195   2.195
  377   1HB   TRP  59          2HB       TRP  59  -1.293   2.959   2.959
  378   2HB   TRP  59          3HB       TRP  59  -1.701   1.659   1.659
  379    HD1  TRP  59           HD1      TRP  59  -2.588  -0.602  -0.602
  380    HE1  TRP  59           HE1      TRP  59  -3.157  -1.458  -1.458
  381    HE3  TRP  59           HE3      TRP  59  -0.396   3.279   3.279
  382    HZ2  TRP  59           HZ2      TRP  59  -2.638  -0.439  -0.439
  383    HZ3  TRP  59           HZ3      TRP  59  -0.472   3.273   3.273
  384    HH2  TRP  59           HH2      TRP  59  -1.544   1.498   1.498
  385    HA   PRO  60           HA       PRO  60   2.128  -1.963  -1.963
  386   1HB   PRO  60          2HB       PRO  60   2.085  -2.741  -2.741
  387   2HB   PRO  60          3HB       PRO  60   3.408  -1.837  -1.837
  388   1HG   PRO  60          2HG       PRO  60   1.280  -0.888  -0.888
  389   2HG   PRO  60          3HG       PRO  60   2.819  -0.138  -0.138
  390   1HD   PRO  60          2HD       PRO  60   0.245   0.634   0.634
  391   2HD   PRO  60          3HD       PRO  60   1.796   1.307   1.307
  392    H    ILE  61           HN       ILE  61   1.399  -4.036  -4.036
  393    HA   ILE  61           HA       ILE  61  -1.438  -4.304  -4.304
  394    HB   ILE  61           HB       ILE  61  -0.842  -4.126  -4.126
  395   1HG1  ILE  61          2HG1      ILE  61  -2.054  -6.819  -6.819
  396   2HG1  ILE  61          3HG1      ILE  61  -2.873  -5.338  -5.338
  397   1HG2  ILE  61          3HG2      ILE  61   1.264  -5.697  -5.697
  398   2HG2  ILE  61          1HG2      ILE  61   0.105  -6.944  -6.944
  399   3HG2  ILE  61          2HG2      ILE  61   0.498  -5.590  -5.590
  400   1HD1  ILE  61          2HD1      ILE  61  -2.397  -4.616  -4.616
  401   2HD1  ILE  61          3HD1      ILE  61  -2.199  -6.366  -6.366
  402   3HD1  ILE  61          1HD1      ILE  61  -3.741  -5.726  -5.726
  403    H    LEU  62           HN       LEU  62  -1.936  -5.793  -5.793
  404    HA   LEU  62           HA       LEU  62   0.173  -7.595  -7.595
  405   1HB   LEU  62          2HB       LEU  62  -2.478  -6.752  -6.752
  406   2HB   LEU  62          3HB       LEU  62  -1.602  -8.128  -8.128
  407    HG   LEU  62           HG       LEU  62  -0.310  -5.409  -5.409
  408   1HD1  LEU  62          3HD1      LEU  62  -2.506  -5.365  -5.365
  409   2HD1  LEU  62          1HD1      LEU  62  -1.674  -6.384  -6.384
  410   3HD1  LEU  62          2HD1      LEU  62  -1.047  -4.762  -4.762
  411   1HD2  LEU  62          1HD2      LEU  62   0.255  -7.825  -7.825
  412   2HD2  LEU  62          2HD2      LEU  62   1.210  -7.266  -7.266
  413   3HD2  LEU  62          3HD2      LEU  62   1.117  -6.270  -6.270
  414    H    SER  63           HN       SER  63   0.350  -9.637  -9.637
  415    HA   SER  63           HA       SER  63  -1.467 -10.632 -10.632
  416   1HB   SER  63          2HB       SER  63   0.977 -11.264 -11.264
  417   2HB   SER  63          3HB       SER  63   0.549 -12.211 -12.211
  418    HG   SER  63           HG       SER  63   0.649 -13.500 -13.500
  419    H    SER  64           HN       SER  64  -1.859 -10.215 -10.215
  420    HA   SER  64           HA       SER  64  -3.376 -12.663 -12.663
  421   1HB   SER  64          2HB       SER  64  -3.104 -10.629 -10.629
  422   2HB   SER  64          3HB       SER  64  -3.159 -12.377 -12.377
  423    HG   SER  64           HG       SER  64  -0.969 -12.141 -12.141
  424    H    GLY  65           HN       GLY  65  -3.793  -9.524  -9.524
  425   1HA   GLY  65          1HA       GLY  65  -5.667  -8.401  -8.401
  426   2HA   GLY  65          2HA       GLY  65  -6.639  -9.702  -9.702
  427    H    ASP  66           HN       ASP  66  -4.108  -7.832  -7.832
  428    HA   ASP  66           HA       ASP  66  -6.251  -6.923  -6.923
  429   1HB   ASP  66          2HB       ASP  66  -3.284  -7.428  -7.428
  430   2HB   ASP  66          3HB       ASP  66  -4.297  -6.592  -6.592
  431    H    VAL  67           HN       VAL  67  -4.586  -4.954  -4.954
  432    HA   VAL  67           HA       VAL  67  -4.067  -3.062  -3.062
  433    HB   VAL  67           HB       VAL  67  -5.454  -2.734  -2.734
  434   1HG1  VAL  67          1HG1      VAL  67  -4.112  -0.582  -0.582
  435   2HG1  VAL  67          2HG1      VAL  67  -5.399  -0.245  -0.245
  436   3HG1  VAL  67          3HG1      VAL  67  -3.861  -0.962  -0.962
  437   1HG2  VAL  67          2HG2      VAL  67  -6.194  -2.677  -2.677
  438   2HG2  VAL  67          3HG2      VAL  67  -7.213  -2.864  -2.864
  439   3HG2  VAL  67          1HG2      VAL  67  -6.750  -1.238  -1.238
  440    H    TYR  68           HN       TYR  68  -1.975  -2.451  -2.451
  441    HA   TYR  68           HA       TYR  68  -0.110  -3.280  -3.280
  442   1HB   TYR  68          2HB       TYR  68  -0.298  -1.836  -1.836
  443   2HB   TYR  68          3HB       TYR  68   1.079  -1.348  -1.348
  444    HD1  TYR  68           HD1      TYR  68   2.196  -3.646  -3.646
  445    HD2  TYR  68           HD2      TYR  68   0.261  -3.361  -3.361
  446    HE1  TYR  68           HE1      TYR  68   3.485  -5.681  -5.681
  447    HE2  TYR  68           HE2      TYR  68   1.556  -5.396  -5.396
  448    HH   TYR  68           HH       TYR  68   2.627  -7.376  -7.376
  449    H    SER  69           HN       SER  69  -0.200  -2.341  -2.341
  450    HA   SER  69           HA       SER  69  -0.490   0.547   0.547
  451   1HB   SER  69          2HB       SER  69  -1.049   0.281   0.281
  452   2HB   SER  69          3HB       SER  69  -2.043  -0.793  -0.793
  453    HG   SER  69           HG       SER  69  -0.345  -2.484  -2.484
  454    H    GLY  70           HN       GLY  70   1.991  -0.547  -0.547
  455   1HA   GLY  70          1HA       GLY  70   3.786   0.498   0.498
  456   2HA   GLY  70          2HA       GLY  70   4.060  -1.139  -1.139
  457    H    GLY  71           HN       GLY  71   5.977   0.944   0.944
  458   1HA   GLY  71          1HA       GLY  71   5.749   1.982   1.982
  459   2HA   GLY  71          2HA       GLY  71   7.086   2.171   2.171
  460    H    SER  72           HN       SER  72   6.678  -1.021  -1.021
  461    HA   SER  72           HA       SER  72   8.333  -1.590  -1.590
  462   1HB   SER  72          2HB       SER  72   9.707  -1.842  -1.842
  463   2HB   SER  72          3HB       SER  72   8.437  -2.636  -2.636
  464    HG   SER  72           HG       SER  72   9.505  -3.809  -3.809
  465    HA   PRO  73           HA       PRO  73   4.579  -4.108  -4.108
  466   1HB   PRO  73          2HB       PRO  73   4.034  -3.562  -3.562
  467   2HB   PRO  73          3HB       PRO  73   3.329  -2.667  -2.667
  468   1HG   PRO  73          2HG       PRO  73   5.486  -1.848  -1.848
  469   2HG   PRO  73          3HG       PRO  73   4.490  -0.847  -0.847
  470   1HD   PRO  73          2HD       PRO  73   7.213  -1.621  -1.621
  471   2HD   PRO  73          3HD       PRO  73   6.181  -0.717  -0.717
  472    H    GLY  74           HN       GLY  74   7.224  -3.794  -3.794
  473   1HA   GLY  74          1HA       GLY  74   8.420  -6.103  -6.103
  474   2HA   GLY  74          2HA       GLY  74   6.941  -6.639  -6.639
  475    H    ALA  75           HN       ALA  75   6.817  -6.541  -6.541
  476    HA   ALA  75           HA       ALA  75   8.610  -4.642  -4.642
  477   1HB   ALA  75          3HB       ALA  75   8.199  -7.602  -7.602
  478   2HB   ALA  75          1HB       ALA  75   8.910  -6.488  -6.488
  479   3HB   ALA  75          2HB       ALA  75   9.719  -6.755  -6.755
  480    H    ASP  76           HN       ASP  76   5.664  -6.716  -6.716
  481    HA   ASP  76           HA       ASP  76   4.697  -5.775  -5.775
  482   1HB   ASP  76          2HB       ASP  76   2.890  -6.488  -6.488
  483   2HB   ASP  76          3HB       ASP  76   2.633  -6.804  -6.804
  484    H    ARG  77           HN       ARG  77   3.624  -3.839  -3.839
  485    HA   ARG  77           HA       ARG  77   2.475  -2.315  -2.315
  486   1HB   ARG  77          2HB       ARG  77   4.390  -0.963  -0.963
  487   2HB   ARG  77          3HB       ARG  77   3.679  -0.268  -0.268
  488   1HG   ARG  77          2HG       ARG  77   5.343  -2.757  -2.757
  489   2HG   ARG  77          3HG       ARG  77   6.188  -1.266  -1.266
  490   1HD   ARG  77          2HD       ARG  77   4.735  -0.229  -0.229
  491   2HD   ARG  77          3HD       ARG  77   4.434  -1.892  -1.892
  492    HE   ARG  77           HE       ARG  77   7.074  -0.514  -0.514
  493   1HH1  ARG  77           HH2      ARG  77   5.187  -3.418  -3.418
  494   2HH1  ARG  77           HH2      ARG  77   6.410  -4.159  -4.159
  495   1HH2  ARG  77           HH1      ARG  77   8.688  -1.491  -1.491
  496   2HH2  ARG  77           HH1      ARG  77   8.415  -3.055  -3.055
  497    H    VAL  78           HN       VAL  78   0.782  -0.879  -0.879
  498    HA   VAL  78           HA       VAL  78   0.066  -1.335  -1.335
  499    HB   VAL  78           HB       VAL  78  -2.038  -1.636  -1.636
  500   1HG1  VAL  78          3HG1      VAL  78  -0.430  -2.730  -2.730
  501   2HG1  VAL  78          1HG1      VAL  78  -1.379  -1.654  -1.654
  502   3HG1  VAL  78          2HG1      VAL  78  -2.203  -2.875  -2.875
  503   1HG2  VAL  78          1HG2      VAL  78  -1.574   0.789   0.789
  504   2HG2  VAL  78          2HG2      VAL  78  -2.740   0.533   0.533
  505   3HG2  VAL  78          3HG2      VAL  78  -3.019  -0.214  -0.214
  506    H    VAL  79           HN       VAL  79  -0.981   0.508   0.508
  507    HA   VAL  79           HA       VAL  79  -0.291   3.106   3.106
  508    HB   VAL  79           HB       VAL  79   0.616   2.052   2.052
  509   1HG1  VAL  79          2HG1      VAL  79  -0.290   4.420   4.420
  510   2HG1  VAL  79          3HG1      VAL  79   1.028   4.858   4.858
  511   3HG1  VAL  79          1HG1      VAL  79   1.405   4.230   4.230
  512   1HG2  VAL  79          1HG2      VAL  79   1.880   1.706   1.706
  513   2HG2  VAL  79          2HG2      VAL  79   2.749   2.007   2.007
  514   3HG2  VAL  79          3HG2      VAL  79   2.466   3.343   3.343
  515    H    PHE  80           HN       PHE  80  -2.642   3.124   3.124
  516    HA   PHE  80           HA       PHE  80  -4.252   3.114   3.114
  517   1HB   PHE  80          2HB       PHE  80  -6.090   3.214   3.214
  518   2HB   PHE  80          3HB       PHE  80  -4.930   2.011   2.011
  519    HD1  PHE  80           HD2      PHE  80  -3.090   2.864   2.864
  520    HD2  PHE  80           HD1      PHE  80  -6.772   4.855   4.855
  521    HE1  PHE  80           HE2      PHE  80  -2.872   4.037   4.037
  522    HE2  PHE  80           HE1      PHE  80  -6.555   6.029   6.029
  523    HZ   PHE  80           HZ       PHE  80  -4.608   5.605   5.605
  524    H    ASN  81           HN       ASN  81  -6.253   4.984   4.984
  525    HA   ASN  81           HA       ASN  81  -4.725   7.462   7.462
  526   1HB   ASN  81          2HB       ASN  81  -7.323   7.387   7.387
  527   2HB   ASN  81          3HB       ASN  81  -5.878   8.322   8.322
  528   1HD2  ASN  81          2HD2      ASN  81  -6.253   4.406   4.406
  529   2HD2  ASN  81          1HD2      ASN  81  -7.173   5.024   5.024
  530    H    GLU  82           HN       GLU  82  -7.018   9.208   9.208
  531    HA   GLU  82           HA       GLU  82  -8.071   8.644   8.644
  532   1HB   GLU  82          2HB       GLU  82  -7.105  10.934  10.934
  533   2HB   GLU  82          3HB       GLU  82  -8.755  11.139  11.139
  534   1HG   GLU  82          2HG       GLU  82  -9.044  10.260  10.260
  535   2HG   GLU  82          3HG       GLU  82  -7.668  11.344  11.344
  536    H    ASN  83           HN       ASN  83  -8.900   7.297   7.297
  537    HA   ASN  83           HA       ASN  83 -11.703   8.063   8.063
  538   1HB   ASN  83          2HB       ASN  83 -11.320   6.203   6.203
  539   2HB   ASN  83          3HB       ASN  83 -11.491   7.939   7.939
  540   1HD2  ASN  83          2HD2      ASN  83  -7.931   6.034   6.034
  541   2HD2  ASN  83          1HD2      ASN  83  -9.397   5.233   5.233
  542    H    ASN  84           HN       ASN  84  -9.317   5.561   5.561
  543    HA   ASN  84           HA       ASN  84  -9.863   3.938   3.938
  544   1HB   ASN  84          2HB       ASN  84 -11.989   2.854   2.854
  545   2HB   ASN  84          3HB       ASN  84 -12.400   4.510   4.510
  546   1HD2  ASN  84          2HD2      ASN  84 -12.429   3.292   3.292
  547   2HD2  ASN  84          1HD2      ASN  84 -11.230   4.138   4.138
  548    H    GLN  85           HN       GLN  85  -8.759   4.270   4.270
  549    HA   GLN  85           HA       GLN  85  -9.039   1.499   1.499
  550   1HB   GLN  85          2HB       GLN  85  -8.104   3.948   3.948
  551   2HB   GLN  85          3HB       GLN  85  -8.185   2.323   2.323
  552   1HG   GLN  85          2HG       GLN  85 -10.615   2.244   2.244
  553   2HG   GLN  85          3HG       GLN  85 -10.599   3.766   3.766
  554   1HE2  GLN  85          1HE2      GLN  85 -10.322   5.696   5.696
  555   2HE2  GLN  85          2HE2      GLN  85 -10.466   5.868   5.868
  556    H    LEU  86           HN       LEU  86  -7.355   0.148   0.148
  557    HA   LEU  86           HA       LEU  86  -4.796   1.395   1.395
  558   1HB   LEU  86          2HB       LEU  86  -5.551   0.072   0.072
  559   2HB   LEU  86          3HB       LEU  86  -6.114  -1.206  -1.206
  560    HG   LEU  86           HG       LEU  86  -3.207  -0.512  -0.512
  561   1HD1  LEU  86          3HD1      LEU  86  -5.091  -2.434  -2.434
  562   2HD1  LEU  86          1HD1      LEU  86  -3.402  -2.937  -2.937
  563   3HD1  LEU  86          2HD1      LEU  86  -3.765  -1.475  -1.475
  564   1HD2  LEU  86          2HD2      LEU  86  -4.486  -2.087  -2.087
  565   2HD2  LEU  86          3HD2      LEU  86  -2.771  -1.658  -1.658
  566   3HD2  LEU  86          1HD2      LEU  86  -3.431  -3.104  -3.104
  567    H    ALA  87           HN       ALA  87  -2.849   0.760   0.760
  568    HA   ALA  87           HA       ALA  87  -3.003  -1.178  -1.178
  569   1HB   ALA  87          3HB       ALA  87  -2.502   1.782   1.782
  570   2HB   ALA  87          1HB       ALA  87  -2.107   0.499   0.499
  571   3HB   ALA  87          2HB       ALA  87  -3.799   0.776   0.776
  572    H    GLY  88           HN       GLY  88  -1.242   1.224   1.224
  573   1HA   GLY  88          1HA       GLY  88   1.369   0.532   0.532
  574   2HA   GLY  88          2HA       GLY  88   0.870   1.277   1.277
  575    H    VAL  89           HN       VAL  89   0.250  -1.973  -1.973
  576    HA   VAL  89           HA       VAL  89   0.618  -3.222  -3.222
  577    HB   VAL  89           HB       VAL  89  -0.344  -3.960  -3.960
  578   1HG1  VAL  89          2HG1      VAL  89   1.096  -5.878  -5.878
  579   2HG1  VAL  89          3HG1      VAL  89  -0.272  -6.436  -6.436
  580   3HG1  VAL  89          1HG1      VAL  89   1.164  -5.728  -5.728
  581   1HG2  VAL  89          2HG2      VAL  89  -1.380  -3.679  -3.679
  582   2HG2  VAL  89          3HG2      VAL  89  -2.257  -4.030  -4.030
  583   3HG2  VAL  89          1HG2      VAL  89  -1.621  -5.365  -5.365
  584    H    ILE  90           HN       ILE  90   2.917  -1.735  -1.735
  585    HA   ILE  90           HA       ILE  90   4.753  -3.496  -3.496
  586    HB   ILE  90           HB       ILE  90   6.356  -1.817  -1.817
  587   1HG1  ILE  90          2HG1      ILE  90   5.213  -1.550  -1.550
  588   2HG1  ILE  90          3HG1      ILE  90   6.542  -0.610  -0.610
  589   1HG2  ILE  90          1HG2      ILE  90   4.478  -1.309  -1.309
  590   2HG2  ILE  90          2HG2      ILE  90   3.733  -0.337  -0.337
  591   3HG2  ILE  90          3HG2      ILE  90   5.329   0.116   0.116
  592   1HD1  ILE  90          2HD1      ILE  90   4.898   1.036   1.036
  593   2HD1  ILE  90          3HD1      ILE  90   3.579   0.099   0.099
  594   3HD1  ILE  90          1HD1      ILE  90   4.791   0.900   0.900
  595    H    THR  91           HN       THR  91   6.987  -3.877  -3.877
  596    HA   THR  91           HA       THR  91   6.685  -4.498  -4.498
  597    HB   THR  91           HB       THR  91   5.513  -6.461  -6.461
  598    HG1  THR  91           HG1      THR  91   7.451  -7.269  -7.269
  599   1HG2  THR  91          2HG2      THR  91   7.148  -6.574  -6.574
  600   2HG2  THR  91          3HG2      THR  91   6.023  -7.847  -7.847
  601   3HG2  THR  91          1HG2      THR  91   5.408  -6.225  -6.225
  602    H    HIS  92           HN       HIS  92   8.671  -5.201  -5.201
  603    HA   HIS  92           HA       HIS  92  10.901  -4.130  -4.130
  604   1HB   HIS  92          2HB       HIS  92  10.462  -5.332  -5.332
  605   2HB   HIS  92          3HB       HIS  92  12.086  -5.022  -5.022
  606    HD1  HIS  92           HD1      HIS  92  12.765  -3.018  -3.018
  607    HD2  HIS  92           HD2      HIS  92   9.000  -2.541  -2.541
  608    HE1  HIS  92           HE1      HIS  92  12.057  -0.610  -0.610
  609    HE2  HIS  92           HE2      HIS  92   9.762  -0.360  -0.360
  610    H    THR  93           HN       THR  93   9.332  -6.817  -6.817
  611    HA   THR  93           HA       THR  93  10.996  -8.978  -8.978
  612    HB   THR  93           HB       THR  93   8.909  -8.052  -8.052
  613    HG1  THR  93           HG1      THR  93   8.801  -9.229  -9.229
  614   1HG2  THR  93          2HG2      THR  93  10.752 -10.467 -10.467
  615   2HG2  THR  93          3HG2      THR  93   9.111 -10.409 -10.409
  616   3HG2  THR  93          1HG2      THR  93  10.341  -9.236  -9.236
  617    H    GLY  94           HN       GLY  94  13.197  -8.445  -8.445
  618   1HA   GLY  94          1HA       GLY  94  15.140  -7.685  -7.685
  619   2HA   GLY  94          2HA       GLY  94  14.731  -9.004  -9.004
  620    H    ALA  95           HN       ALA  95  13.106  -5.788  -5.788
  621    HA   ALA  95           HA       ALA  95  12.847  -5.416  -5.416
  622   1HB   ALA  95          3HB       ALA  95  12.461  -3.832  -3.832
  623   2HB   ALA  95          1HB       ALA  95  12.616  -2.907  -2.907
  624   3HB   ALA  95          2HB       ALA  95  11.338  -4.136  -4.136
  625    H    SER  96           HN       SER  96  15.633  -5.405  -5.405
  626    HA   SER  96           HA       SER  96  17.692  -5.153  -5.153
  627   1HB   SER  96          2HB       SER  96  16.561  -4.446  -4.446
  628   2HB   SER  96          3HB       SER  96  16.735  -2.798  -2.798
  629    HG   SER  96           HG       SER  96  18.617  -3.099  -3.099
  630    H    GLY  97           HN       GLY  97  16.736  -4.262  -4.262
  631   1HA   GLY  97          1HA       GLY  97  18.176  -2.862  -2.862
  632   2HA   GLY  97          2HA       GLY  97  17.933  -1.566  -1.566
  633    H    ASN  98           HN       ASN  98  16.681  -0.024  -0.024
  634    HA   ASN  98           HA       ASN  98  14.549  -0.941  -0.941
  635   1HB   ASN  98          2HB       ASN  98  15.961   0.867   0.867
  636   2HB   ASN  98          3HB       ASN  98  15.736   1.821   1.821
  637   1HD2  ASN  98          1HD2      ASN  98  13.213  -0.092  -0.092
  638   2HD2  ASN  98          2HD2      ASN  98  12.216   1.214   1.214
  639    H    ASN  99           HN       ASN  99  14.868  -0.714  -0.714
  640    HA   ASN  99           HA       ASN  99  12.944   1.156   1.156
  641   1HB   ASN  99          2HB       ASN  99  12.941  -0.721  -0.721
  642   2HB   ASN  99          3HB       ASN  99  14.105   0.580   0.580
  643   1HD2  ASN  99          2HD2      ASN  99  15.244  -3.013  -3.013
  644   2HD2  ASN  99          1HD2      ASN  99  13.692  -2.305  -2.305
  645    H    PHE 100           HN       PHE 100  10.842   0.400   0.400
  646    HA   PHE 100           HA       PHE 100   9.647  -1.833  -1.833
  647   1HB   PHE 100          2HB       PHE 100   8.713   0.932   0.932
  648   2HB   PHE 100          3HB       PHE 100   7.514  -0.331  -0.331
  649    HD1  PHE 100           HD2      PHE 100   8.013  -1.730  -1.730
  650    HD2  PHE 100           HD1      PHE 100   8.817   2.369   2.369
  651    HE1  PHE 100           HE2      PHE 100   7.897  -1.256  -1.256
  652    HE2  PHE 100           HE1      PHE 100   8.700   2.843   2.843
  653    HZ   PHE 100           HZ       PHE 100   8.242   1.025   1.025
  654    H    VAL 101           HN       VAL 101   7.706  -2.823  -2.823
  655    HA   VAL 101           HA       VAL 101   7.598  -2.474  -2.474
  656    HB   VAL 101           HB       VAL 101   8.348  -4.739  -4.739
  657   1HG1  VAL 101          2HG1      VAL 101   9.852  -2.703  -2.703
  658   2HG1  VAL 101          3HG1      VAL 101  10.567  -3.252  -3.252
  659   3HG1  VAL 101          1HG1      VAL 101  10.687  -4.273  -4.273
  660   1HG2  VAL 101          1HG2      VAL 101   8.398  -5.078  -5.078
  661   2HG2  VAL 101          2HG2      VAL 101   8.615  -6.294  -6.294
  662   3HG2  VAL 101          3HG2      VAL 101  10.020  -5.396  -5.396
  663    H    GLU 102           HN       GLU 102   5.524  -2.892  -2.892
  664    HA   GLU 102           HA       GLU 102   3.630  -3.551  -3.551
  665   1HB   GLU 102          2HB       GLU 102   2.434  -4.396  -4.396
  666   2HB   GLU 102          3HB       GLU 102   2.606  -2.709  -2.709
  667   1HG   GLU 102          2HG       GLU 102   4.460  -2.375  -2.375
  668   2HG   GLU 102          3HG       GLU 102   4.858  -4.081  -4.081
  669    H    CYS 103           HN       CYS 103   2.768  -5.423  -5.423
  670    HA   CYS 103           HA       CYS 103   4.255  -7.757  -7.757
  671   1HB   CYS 103          2HB       CYS 103   1.473  -7.143  -7.143
  672   2HB   CYS 103          3HB       CYS 103   2.124  -8.770  -8.770
  673    H    THR 104           HN       THR 104   2.724  -6.375  -6.375
  674    HA   THR 104           HA       THR 104   2.112  -7.130  -7.130
  675    HB   THR 104           HB       THR 104   2.925  -9.214  -9.214
  676    HG1  THR 104           HG1      THR 104   1.814  -9.959  -9.959
  677   1HG2  THR 104          1HG2      THR 104   4.430  -8.149  -8.149
  678   2HG2  THR 104          2HG2      THR 104   4.120  -9.818  -9.818
  679   3HG2  THR 104          3HG2      THR 104   4.928  -9.517  -9.517

  Start of MODEL   20
    1    H    ALA   1           HN       ALA   1  -5.996 -16.096 -16.096
    2    HA   ALA   1           HA       ALA   1  -7.428 -14.183 -14.183
    3   1HB   ALA   1          1HB       ALA   1  -8.864 -15.871 -15.871
    4   2HB   ALA   1          2HB       ALA   1  -8.704 -14.194 -14.194
    5   3HB   ALA   1          3HB       ALA   1  -9.462 -14.527 -14.527
    6    H    CYS   2           HN       CYS   2  -4.981 -13.870 -13.870
    7    HA   CYS   2           HA       CYS   2  -4.446 -12.847 -12.847
    8   1HB   CYS   2          2HB       CYS   2  -2.032 -13.421 -13.421
    9   2HB   CYS   2          3HB       CYS   2  -2.522 -13.936 -13.936
   10    H    ASP   3           HN       ASP   3  -5.750 -11.085 -11.085
   11    HA   ASP   3           HA       ASP   3  -4.827  -9.784  -9.784
   12   1HB   ASP   3          2HB       ASP   3  -5.655  -8.455  -8.455
   13   2HB   ASP   3          3HB       ASP   3  -5.638  -7.651  -7.651
   14    H    TYR   4           HN       TYR   4  -3.322  -9.939  -9.939
   15    HA   TYR   4           HA       TYR   4  -1.018  -8.478  -8.478
   16   1HB   TYR   4          2HB       TYR   4  -2.407  -8.177  -8.177
   17   2HB   TYR   4          3HB       TYR   4  -0.933  -7.343  -7.343
   18    HD1  TYR   4           HD2      TYR   4  -1.004  -5.589  -5.589
   19    HD2  TYR   4           HD1      TYR   4  -4.554  -7.346  -7.346
   20    HE1  TYR   4           HE2      TYR   4  -2.385  -3.666  -3.666
   21    HE2  TYR   4           HE1      TYR   4  -5.924  -5.416  -5.416
   22    HH   TYR   4           HH       TYR   4  -4.335  -2.744  -2.744
   23    H    THR   5           HN       THR   5   0.658  -9.886  -9.886
   24    HA   THR   5           HA       THR   5   0.855 -11.602 -11.602
   25    HB   THR   5           HB       THR   5   1.172 -12.247 -12.247
   26    HG1  THR   5           HG1      THR   5  -0.134 -14.110 -14.110
   27   1HG2  THR   5          1HG2      THR   5   3.105 -13.125 -13.125
   28   2HG2  THR   5          2HG2      THR   5   1.822 -14.231 -14.231
   29   3HG2  THR   5          3HG2      THR   5   2.335 -14.235 -14.235
   30    H    CYS   6           HN       CYS   6   2.432 -10.751 -10.751
   31    HA   CYS   6           HA       CYS   6   4.601  -9.379  -9.379
   32   1HB   CYS   6          2HB       CYS   6   3.756  -9.869  -9.869
   33   2HB   CYS   6          3HB       CYS   6   5.391  -9.338  -9.338
   34    H    GLY   7           HN       GLY   7   4.999 -11.588 -11.588
   35   1HA   GLY   7          1HA       GLY   7   6.714 -13.066 -13.066
   36   2HA   GLY   7          2HA       GLY   7   7.240 -12.872 -12.872
   37    H    SER   8           HN       SER   8   5.155 -13.560 -13.560
   38    HA   SER   8           HA       SER   8   4.033 -16.003 -16.003
   39   1HB   SER   8          2HB       SER   8   5.046 -17.470 -17.470
   40   2HB   SER   8          3HB       SER   8   6.364 -16.347 -16.347
   41    HG   SER   8           HG       SER   8   4.992 -16.910 -16.910
   42    H    ASN   9           HN       ASN   9   2.613 -13.698 -13.698
   43    HA   ASN   9           HA       ASN   9   1.302 -14.237 -14.237
   44   1HB   ASN   9          2HB       ASN   9   1.429 -11.534 -11.534
   45   2HB   ASN   9          3HB       ASN   9   0.747 -11.835 -11.835
   46   1HD2  ASN   9          2HD2      ASN   9   4.863 -12.062 -12.062
   47   2HD2  ASN   9          1HD2      ASN   9   3.758 -12.520 -12.520
   48    H    CYS  10           HN       CYS  10  -0.989 -12.602 -12.602
   49    HA   CYS  10           HA       CYS  10  -2.060 -12.821 -12.821
   50   1HB   CYS  10          2HB       CYS  10  -2.055 -15.232 -15.232
   51   2HB   CYS  10          3HB       CYS  10  -3.060 -14.908 -14.908
   52    H    TYR  11           HN       TYR  11  -2.245 -10.561 -10.561
   53    HA   TYR  11           HA       TYR  11  -4.159 -10.247 -10.247
   54   1HB   TYR  11          2HB       TYR  11  -2.917  -8.143  -8.143
   55   2HB   TYR  11          3HB       TYR  11  -3.411  -7.919  -7.919
   56    HD1  TYR  11           HD1      TYR  11  -2.070  -9.179  -9.179
   57    HD2  TYR  11           HD2      TYR  11  -0.682  -8.665  -8.665
   58    HE1  TYR  11           HE1      TYR  11   0.314  -9.630  -9.630
   59    HE2  TYR  11           HE2      TYR  11   1.697  -9.117  -9.117
   60    HH   TYR  11           HH       TYR  11   2.969  -8.896  -8.896
   61    H    SER  12           HN       SER  12  -5.438 -11.582 -11.582
   62    HA   SER  12           HA       SER  12  -6.501 -10.540 -10.540
   63   1HB   SER  12          2HB       SER  12  -7.378 -12.413 -12.413
   64   2HB   SER  12          3HB       SER  12  -8.722 -11.291 -11.291
   65    HG   SER  12           HG       SER  12  -7.596 -12.073 -12.073
   66    H    SER  13           HN       SER  13  -8.316  -9.108  -9.108
   67    HA   SER  13           HA       SER  13  -8.177  -6.631  -6.631
   68   1HB   SER  13          2HB       SER  13 -10.326  -6.208  -6.208
   69   2HB   SER  13          3HB       SER  13  -9.542  -7.475  -7.475
   70    HG   SER  13           HG       SER  13 -10.993  -8.620  -8.620
   71    H    SER  14           HN       SER  14  -9.595  -9.335  -9.335
   72    HA   SER  14           HA       SER  14 -11.171  -7.682  -7.682
   73   1HB   SER  14          2HB       SER  14 -11.862 -10.000 -10.000
   74   2HB   SER  14          3HB       SER  14 -10.436 -10.638 -10.638
   75    HG   SER  14           HG       SER  14 -12.592 -10.540 -10.540
   76    H    ASP  15           HN       ASP  15  -7.898  -8.953  -8.953
   77    HA   ASP  15           HA       ASP  15  -7.457  -8.673  -8.673
   78   1HB   ASP  15          2HB       ASP  15  -5.979  -9.669  -9.669
   79   2HB   ASP  15          3HB       ASP  15  -4.953  -8.853  -8.853
   80    H    VAL  16           HN       VAL  16  -7.312  -6.769  -6.769
   81    HA   VAL  16           HA       VAL  16  -5.318  -4.931  -4.931
   82    HB   VAL  16           HB       VAL  16  -7.348  -4.974  -4.974
   83   1HG1  VAL  16          3HG1      VAL  16  -6.395  -2.637  -2.637
   84   2HG1  VAL  16          1HG1      VAL  16  -5.208  -2.962  -2.962
   85   3HG1  VAL  16          2HG1      VAL  16  -6.939  -2.842  -2.842
   86   1HG2  VAL  16          3HG2      VAL  16  -4.695  -6.020  -6.020
   87   2HG2  VAL  16          1HG2      VAL  16  -5.780  -6.156  -6.156
   88   3HG2  VAL  16          2HG2      VAL  16  -4.669  -4.772  -4.772
   89    H    SER  17           HN       SER  17  -8.832  -4.368  -4.368
   90    HA   SER  17           HA       SER  17  -9.176  -2.031  -2.031
   91   1HB   SER  17          2HB       SER  17 -10.956  -3.468  -3.468
   92   2HB   SER  17          3HB       SER  17 -11.068  -4.384  -4.384
   93    HG   SER  17           HG       SER  17 -11.578  -2.282  -2.282
   94    H    THR  18           HN       THR  18  -9.095  -5.172  -5.172
   95    HA   THR  18           HA       THR  18  -9.700  -4.253  -4.253
   96    HB   THR  18           HB       THR  18  -8.108  -6.521  -6.521
   97    HG1  THR  18           HG1      THR  18 -10.238  -7.082  -7.082
   98   1HG2  THR  18          2HG2      THR  18  -6.934  -5.763  -5.763
   99   2HG2  THR  18          3HG2      THR  18  -8.462  -6.171  -6.171
  100   3HG2  THR  18          1HG2      THR  18  -7.544  -7.435  -7.435
  101    H    ALA  19           HN       ALA  19  -6.418  -4.448  -4.448
  102    HA   ALA  19           HA       ALA  19  -5.093  -3.331  -3.331
  103   1HB   ALA  19          2HB       ALA  19  -4.481  -4.355  -4.355
  104   2HB   ALA  19          3HB       ALA  19  -3.850  -2.691  -2.691
  105   3HB   ALA  19          1HB       ALA  19  -3.333  -3.850  -3.850
  106    H    GLN  20           HN       GLN  20  -6.626  -1.883  -1.883
  107    HA   GLN  20           HA       GLN  20  -5.714   0.683   0.683
  108   1HB   GLN  20          2HB       GLN  20  -8.458   0.156   0.156
  109   2HB   GLN  20          3HB       GLN  20  -7.257   1.326   1.326
  110   1HG   GLN  20          2HG       GLN  20  -5.784  -0.551  -0.551
  111   2HG   GLN  20          3HG       GLN  20  -7.011  -1.705  -1.705
  112   1HE2  GLN  20          2HE2      GLN  20  -7.946   0.959   0.959
  113   2HE2  GLN  20          1HE2      GLN  20  -7.050   1.454   1.454
  114    H    ALA  21           HN       ALA  21  -8.945  -0.756  -0.756
  115    HA   ALA  21           HA       ALA  21 -10.196   1.220   1.220
  116   1HB   ALA  21          1HB       ALA  21  -9.826  -1.672  -1.672
  117   2HB   ALA  21          2HB       ALA  21 -10.782  -0.611  -0.611
  118   3HB   ALA  21          3HB       ALA  21 -11.267  -0.839  -0.839
  119    H    ALA  22           HN       ALA  22  -7.243  -0.382  -0.382
  120    HA   ALA  22           HA       ALA  22  -7.330   0.992   0.992
  121   1HB   ALA  22          2HB       ALA  22  -6.205  -1.271  -1.271
  122   2HB   ALA  22          3HB       ALA  22  -4.871  -0.249  -0.249
  123   3HB   ALA  22          1HB       ALA  22  -5.355  -0.188  -0.188
  124    H    GLY  23           HN       GLY  23  -5.290   1.261   1.261
  125   1HA   GLY  23          1HA       GLY  23  -3.863   3.525   3.525
  126   2HA   GLY  23          2HA       GLY  23  -4.149   2.994   2.994
  127    H    TYR  24           HN       TYR  24  -7.010   3.168   3.168
  128    HA   TYR  24           HA       TYR  24  -7.291   5.918   5.918
  129   1HB   TYR  24          2HB       TYR  24  -8.474   3.522   3.522
  130   2HB   TYR  24          3HB       TYR  24  -9.633   4.053   4.053
  131    HD1  TYR  24           HD2      TYR  24  -8.019   5.003   5.003
  132    HD2  TYR  24           HD1      TYR  24 -11.248   5.727   5.727
  133    HE1  TYR  24           HE2      TYR  24  -9.163   6.464   6.464
  134    HE2  TYR  24           HE1      TYR  24 -12.381   7.184   7.184
  135    HH   TYR  24           HH       TYR  24 -12.374   7.819   7.819
  136    H    LYS  25           HN       LYS  25  -9.032   3.811   3.811
  137    HA   LYS  25           HA       LYS  25 -10.459   5.688   5.688
  138   1HB   LYS  25          2HB       LYS  25 -10.810   3.503   3.503
  139   2HB   LYS  25          3HB       LYS  25  -9.104   3.174   3.174
  140   1HG   LYS  25          2HG       LYS  25 -10.466   5.270   5.270
  141   2HG   LYS  25          3HG       LYS  25 -10.662   3.572   3.572
  142   1HD   LYS  25          2HD       LYS  25  -7.900   3.814   3.814
  143   2HD   LYS  25          3HD       LYS  25  -8.306   5.314   5.314
  144   1HE   LYS  25          2HE       LYS  25  -7.750   3.669   3.669
  145   2HE   LYS  25          3HE       LYS  25  -9.473   3.980   3.980
  146   1HZ   LYS  25          2HZ       LYS  25  -8.806   1.878   1.878
  147   2HZ   LYS  25          3HZ       LYS  25  -8.358   1.564   1.564
  148   3HZ   LYS  25          1HZ       LYS  25  -9.917   1.909   1.909
  149    H    LEU  26           HN       LEU  26  -7.104   4.717   4.717
  150    HA   LEU  26           HA       LEU  26  -6.821   6.766   6.766
  151   1HB   LEU  26          2HB       LEU  26  -5.432   4.792   4.792
  152   2HB   LEU  26          3HB       LEU  26  -4.771   5.232   5.232
  153    HG   LEU  26           HG       LEU  26  -4.137   7.450   7.450
  154   1HD1  LEU  26          2HD1      LEU  26  -5.031   6.387   6.387
  155   2HD1  LEU  26          3HD1      LEU  26  -3.800   5.112   5.112
  156   3HD1  LEU  26          1HD1      LEU  26  -3.303   6.801   6.801
  157   1HD2  LEU  26          2HD2      LEU  26  -2.765   5.093   5.093
  158   2HD2  LEU  26          3HD2      LEU  26  -2.291   6.809   6.809
  159   3HD2  LEU  26          1HD2      LEU  26  -1.932   5.815   5.815
  160    H    HIS  27           HN       HIS  27  -6.437   6.693   6.693
  161    HA   HIS  27           HA       HIS  27  -5.030   9.124   9.124
  162   1HB   HIS  27          2HB       HIS  27  -4.908   7.577   7.577
  163   2HB   HIS  27          3HB       HIS  27  -6.651   7.508   7.508
  164    HD1  HIS  27           HD1      HIS  27  -4.065  10.357  10.357
  165    HD2  HIS  27           HD2      HIS  27  -7.429   8.937   8.937
  166    HE1  HIS  27           HE1      HIS  27  -4.433  11.958  11.958
  167    HE2  HIS  27           HE2      HIS  27  -6.480  11.004  11.004
  168    H    GLU  28           HN       GLU  28  -8.531   8.251   8.251
  169    HA   GLU  28           HA       GLU  28  -9.385  10.812  10.812
  170   1HB   GLU  28          2HB       GLU  28 -11.410   9.408   9.408
  171   2HB   GLU  28          3HB       GLU  28 -11.335   9.701   9.701
  172   1HG   GLU  28          2HG       GLU  28  -9.936   7.691   7.691
  173   2HG   GLU  28          3HG       GLU  28  -9.854   7.428   7.428
  174    H    ASP  29           HN       ASP  29  -8.326   9.300   9.300
  175    HA   ASP  29           HA       ASP  29  -9.617  11.308  11.308
  176   1HB   ASP  29          2HB       ASP  29  -7.975   8.826   8.826
  177   2HB   ASP  29          3HB       ASP  29  -8.058  10.032  10.032
  178    H    GLY  30           HN       GLY  30  -6.642  10.705  10.705
  179   1HA   GLY  30          1HA       GLY  30  -4.836  12.040  12.040
  180   2HA   GLY  30          2HA       GLY  30  -5.508  13.200  13.200
  181    H    GLU  31           HN       GLU  31  -5.234   9.806   9.806
  182    HA   GLU  31           HA       GLU  31  -3.224  10.650  10.650
  183   1HB   GLU  31          2HB       GLU  31  -5.170   8.320   8.320
  184   2HB   GLU  31          3HB       GLU  31  -3.836   8.340   8.340
  185   1HG   GLU  31          2HG       GLU  31  -5.849  10.622  10.622
  186   2HG   GLU  31          3HG       GLU  31  -6.055   9.282   9.282
  187    H    THR  32           HN       THR  32  -1.754   8.534   8.534
  188    HA   THR  32           HA       THR  32  -0.780   7.383   7.383
  189    HB   THR  32           HB       THR  32   1.537   7.792   7.792
  190    HG1  THR  32           HG1      THR  32   0.022   9.377   9.377
  191   1HG2  THR  32          2HG2      THR  32  -0.313   9.856   9.856
  192   2HG2  THR  32          3HG2      THR  32   0.742  10.526  10.526
  193   3HG2  THR  32          1HG2      THR  32   1.455   9.811   9.811
  194    H    VAL  33           HN       VAL  33   0.965   5.580   5.580
  195    HA   VAL  33           HA       VAL  33  -0.068   4.100   4.100
  196    HB   VAL  33           HB       VAL  33  -0.477   2.148   2.148
  197   1HG1  VAL  33          1HG1      VAL  33  -1.984   4.365   4.365
  198   2HG1  VAL  33          2HG1      VAL  33  -1.586   3.943   3.943
  199   3HG1  VAL  33          3HG1      VAL  33  -2.398   2.754   2.754
  200   1HG2  VAL  33          3HG2      VAL  33   1.538   2.308   2.308
  201   2HG2  VAL  33          1HG2      VAL  33   0.071   1.788   1.788
  202   3HG2  VAL  33          2HG2      VAL  33   0.655   3.462   3.462
  203    H    GLY  34           HN       GLY  34   1.540   3.111   3.111
  204   1HA   GLY  34          1HA       GLY  34   3.575   2.198   2.198
  205   2HA   GLY  34          2HA       GLY  34   4.040   2.387   2.387
  206    H    SER  35           HN       SER  35   6.112   3.276   3.276
  207    HA   SER  35           HA       SER  35   6.086   5.744   5.744
  208   1HB   SER  35          2HB       SER  35   7.810   3.667   3.667
  209   2HB   SER  35          3HB       SER  35   8.622   4.582   4.582
  210    HG   SER  35           HG       SER  35   8.530   5.056   5.056
  211    H    ASN  36           HN       ASN  36   5.768   4.658   4.658
  212    HA   ASN  36           HA       ASN  36   7.314   6.762   6.762
  213   1HB   ASN  36          2HB       ASN  36   5.891   4.324   4.324
  214   2HB   ASN  36          3HB       ASN  36   5.665   5.672   5.672
  215   1HD2  ASN  36          2HD2      ASN  36   8.622   4.012   4.012
  216   2HD2  ASN  36          1HD2      ASN  36   6.904   3.816   3.816
  217    H    SER  37           HN       SER  37   5.541   7.438   7.438
  218    HA   SER  37           HA       SER  37   3.340   8.692   8.692
  219   1HB   SER  37          2HB       SER  37   3.612  10.699  10.699
  220   2HB   SER  37          3HB       SER  37   5.155  10.314  10.314
  221    HG   SER  37           HG       SER  37   4.392   9.590   9.590
  222    H    TYR  38           HN       TYR  38   2.983   6.183   6.183
  223    HA   TYR  38           HA       TYR  38   1.920   6.612   6.612
  224   1HB   TYR  38          2HB       TYR  38   2.318   4.237   4.237
  225   2HB   TYR  38          3HB       TYR  38   1.578   4.043   4.043
  226    HD1  TYR  38           HD2      TYR  38   4.448   6.291   6.291
  227    HD2  TYR  38           HD1      TYR  38   3.184   2.582   2.582
  228    HE1  TYR  38           HE2      TYR  38   6.745   5.984   5.984
  229    HE2  TYR  38           HE1      TYR  38   5.486   2.288   2.288
  230    HH   TYR  38           HH       TYR  38   7.795   3.064   3.064
  231    HA   PRO  39           HA       PRO  39   0.637   5.554   5.554
  232   1HB   PRO  39          2HB       PRO  39  -1.429   6.427   6.427
  233   2HB   PRO  39          3HB       PRO  39  -1.295   4.778   4.778
  234   1HG   PRO  39          2HG       PRO  39  -3.089   6.930   6.930
  235   2HG   PRO  39          3HG       PRO  39  -3.222   5.202   5.202
  236   1HD   PRO  39          2HD       PRO  39  -2.328   7.150   7.150
  237   2HD   PRO  39          3HD       PRO  39  -2.351   5.411   5.411
  238    H    HIS  40           HN       HIS  40   0.494   7.062   7.062
  239    HA   HIS  40           HA       HIS  40   0.461   9.782   9.782
  240   1HB   HIS  40          2HB       HIS  40   2.766  10.401  10.401
  241   2HB   HIS  40          3HB       HIS  40   2.348   9.329   9.329
  242    HD1  HIS  40           HD1      HIS  40   4.078   9.161   9.161
  243    HD2  HIS  40           HD2      HIS  40   4.030   7.179   7.179
  244    HE1  HIS  40           HE1      HIS  40   5.953   7.432   7.432
  245    HE2  HIS  40           HE2      HIS  40   5.910   6.284   6.284
  246    H    LYS  41           HN       LYS  41   1.665  10.972  10.972
  247    HA   LYS  41           HA       LYS  41   0.794   9.883   9.883
  248   1HB   LYS  41          2HB       LYS  41   1.220  12.276  12.276
  249   2HB   LYS  41          3HB       LYS  41   2.945  11.973  11.973
  250   1HG   LYS  41          2HG       LYS  41   3.073  11.472  11.472
  251   2HG   LYS  41          3HG       LYS  41   1.378  11.041  11.041
  252   1HD   LYS  41          2HD       LYS  41   1.126  13.129  13.129
  253   2HD   LYS  41          3HD       LYS  41   1.157  13.672  13.672
  254   1HE   LYS  41          2HE       LYS  41   3.508  14.221  14.221
  255   2HE   LYS  41          3HE       LYS  41   3.718  13.351  13.351
  256   1HZ   LYS  41          3HZ       LYS  41   1.873  15.613  15.613
  257   2HZ   LYS  41          1HZ       LYS  41   3.462  15.839  15.839
  258   3HZ   LYS  41          2HZ       LYS  41   2.553  14.968  14.968
  259    H    TYR  42           HN       TYR  42   2.087   9.188   9.188
  260    HA   TYR  42           HA       TYR  42   4.700   8.106   8.106
  261   1HB   TYR  42          2HB       TYR  42   3.298   6.281   6.281
  262   2HB   TYR  42          3HB       TYR  42   2.107   6.526   6.526
  263    HD1  TYR  42           HD1      TYR  42   2.992   6.116   6.116
  264    HD2  TYR  42           HD2      TYR  42   4.810   4.522   4.522
  265    HE1  TYR  42           HE1      TYR  42   4.092   4.288   4.288
  266    HE2  TYR  42           HE2      TYR  42   5.903   2.699   2.699
  267    HH   TYR  42           HH       TYR  42   5.152   2.359   2.359
  268    H    ASN  43           HN       ASN  43   1.864   8.457   8.457
  269    HA   ASN  43           HA       ASN  43   1.702   8.784   8.784
  270   1HB   ASN  43          2HB       ASN  43   4.392   9.960   9.960
  271   2HB   ASN  43          3HB       ASN  43   4.092   9.643   9.643
  272   1HD2  ASN  43          2HD2      ASN  43   1.918  12.467  12.467
  273   2HD2  ASN  43          1HD2      ASN  43   2.810  11.211  11.211
  274    H    ASN  44           HN       ASN  44   5.172   8.287   8.287
  275    HA   ASN  44           HA       ASN  44   5.672   5.756   5.756
  276   1HB   ASN  44          2HB       ASN  44   4.772   4.653   4.653
  277   2HB   ASN  44          3HB       ASN  44   3.409   5.397   5.397
  278   1HD2  ASN  44          2HD2      ASN  44   4.689   6.612   6.612
  279   2HD2  ASN  44          1HD2      ASN  44   5.564   5.487   5.487
  280    H    TYR  45           HN       TYR  45   7.155   5.075   5.075
  281    HA   TYR  45           HA       TYR  45   7.928   7.021   7.021
  282   1HB   TYR  45          2HB       TYR  45   9.152   6.955   6.955
  283   2HB   TYR  45          3HB       TYR  45  10.314   7.027   7.027
  284    HD1  TYR  45           HD1      TYR  45   7.559   8.631   8.631
  285    HD2  TYR  45           HD2      TYR  45  10.575   9.214   9.214
  286    HE1  TYR  45           HE1      TYR  45   7.231  11.147  11.147
  287    HE2  TYR  45           HE2      TYR  45  10.237  11.729  11.729
  288    HH   TYR  45           HH       TYR  45   8.181  13.225  13.225
  289    H    GLU  46           HN       GLU  46   9.140   4.386   4.386
  290    HA   GLU  46           HA       GLU  46  11.107   3.404   3.404
  291   1HB   GLU  46          2HB       GLU  46   9.042   1.807   1.807
  292   2HB   GLU  46          3HB       GLU  46  10.584   1.175   1.175
  293   1HG   GLU  46          2HG       GLU  46  11.640   3.213   3.213
  294   2HG   GLU  46          3HG       GLU  46  10.076   3.377   3.377
  295    H    GLY  47           HN       GLY  47   7.771   3.634   3.634
  296   1HA   GLY  47          1HA       GLY  47   7.204   3.307   3.307
  297   2HA   GLY  47          2HA       GLY  47   8.255   1.906   1.906
  298    H    PHE  48           HN       PHE  48   5.616   3.038   3.038
  299    HA   PHE  48           HA       PHE  48   4.597   0.316   0.316
  300   1HB   PHE  48          2HB       PHE  48   4.008   2.918   2.918
  301   2HB   PHE  48          3HB       PHE  48   3.117   1.438   1.438
  302    HD1  PHE  48           HD2      PHE  48   4.256  -0.514  -0.514
  303    HD2  PHE  48           HD1      PHE  48   6.228   3.216   3.216
  304    HE1  PHE  48           HE2      PHE  48   6.001  -1.236  -1.236
  305    HE2  PHE  48           HE1      PHE  48   7.974   2.494   2.494
  306    HZ   PHE  48           HZ       PHE  48   7.839   0.276   0.276
  307    H    ASP  49           HN       ASP  49   2.705  -0.312  -0.312
  308    HA   ASP  49           HA       ASP  49   1.400   1.735   1.735
  309   1HB   ASP  49          2HB       ASP  49   0.567  -1.160  -1.160
  310   2HB   ASP  49          3HB       ASP  49   0.629  -0.001  -0.001
  311    H    PHE  50           HN       PHE  50   0.734   2.314   2.314
  312    HA   PHE  50           HA       PHE  50  -1.148   0.797   0.797
  313   1HB   PHE  50          2HB       PHE  50  -0.687   3.821   3.821
  314   2HB   PHE  50          3HB       PHE  50  -1.792   3.171   3.171
  315    HD1  PHE  50           HD1      PHE  50   0.518   0.725   0.725
  316    HD2  PHE  50           HD2      PHE  50   0.242   4.842   4.842
  317    HE1  PHE  50           HE1      PHE  50   2.419   0.463   0.463
  318    HE2  PHE  50           HE2      PHE  50   2.143   4.581   4.581
  319    HZ   PHE  50           HZ       PHE  50   3.209   2.395   2.395
  320    H    SER  51           HN       SER  51  -2.916  -0.069  -0.069
  321    HA   SER  51           HA       SER  51  -4.222   1.168   1.168
  322   1HB   SER  51          2HB       SER  51  -5.984  -0.523  -0.523
  323   2HB   SER  51          3HB       SER  51  -4.392  -1.246  -1.246
  324    HG   SER  51           HG       SER  51  -5.600  -0.265  -0.265
  325    H    VAL  52           HN       VAL  52  -3.959   2.328   2.328
  326    HA   VAL  52           HA       VAL  52  -6.704   3.367   3.367
  327    HB   VAL  52           HB       VAL  52  -6.361   3.754   3.754
  328   1HG1  VAL  52          2HG1      VAL  52  -5.504   0.955   0.955
  329   2HG1  VAL  52          3HG1      VAL  52  -6.136   1.422   1.422
  330   3HG1  VAL  52          1HG1      VAL  52  -7.176   1.548   1.548
  331   1HG2  VAL  52          1HG2      VAL  52  -3.521   2.978   2.978
  332   2HG2  VAL  52          2HG2      VAL  52  -4.144   4.346   4.346
  333   3HG2  VAL  52          3HG2      VAL  52  -4.188   2.698   2.698
  334    H    SER  53           HN       SER  53  -7.009   5.657   5.657
  335    HA   SER  53           HA       SER  53  -4.913   7.160   7.160
  336   1HB   SER  53          2HB       SER  53  -7.608   8.123   8.123
  337   2HB   SER  53          3HB       SER  53  -6.554   8.989   8.989
  338    HG   SER  53           HG       SER  53  -7.602   7.996   7.996
  339    H    SER  54           HN       SER  54  -4.520   9.495   9.495
  340    HA   SER  54           HA       SER  54  -3.494   8.989   8.989
  341   1HB   SER  54          2HB       SER  54  -2.813  11.473  11.473
  342   2HB   SER  54          3HB       SER  54  -2.123  10.356  10.356
  343    HG   SER  54           HG       SER  54  -4.233  12.276  12.276
  344    HA   PRO  55           HA       PRO  55  -2.779  10.852  10.852
  345   1HB   PRO  55          2HB       PRO  55  -2.737  11.089  11.089
  346   2HB   PRO  55          3HB       PRO  55  -2.786  12.467  12.467
  347   1HG   PRO  55          2HG       PRO  55  -4.960  11.324  11.324
  348   2HG   PRO  55          3HG       PRO  55  -4.860  12.910  12.910
  349   1HD   PRO  55          2HD       PRO  55  -6.406  10.680  10.680
  350   2HD   PRO  55          3HD       PRO  55  -6.215  12.228  12.228
  351    H    TYR  56           HN       TYR  56  -1.147   9.590   9.590
  352    HA   TYR  56           HA       TYR  56  -2.311   6.900   6.900
  353   1HB   TYR  56          2HB       TYR  56   0.424   8.000   8.000
  354   2HB   TYR  56          3HB       TYR  56   0.186   6.300   6.300
  355    HD1  TYR  56           HD1      TYR  56  -2.777   6.445   6.445
  356    HD2  TYR  56           HD2      TYR  56   1.134   7.440   7.440
  357    HE1  TYR  56           HE1      TYR  56  -3.539   6.056   6.056
  358    HE2  TYR  56           HE2      TYR  56   0.360   7.050   7.050
  359    HH   TYR  56           HH       TYR  56  -1.252   6.407   6.407
  360    H    TYR  57           HN       TYR  57  -2.500   6.368   6.368
  361    HA   TYR  57           HA       TYR  57  -0.543   7.504   7.504
  362   1HB   TYR  57          2HB       TYR  57  -3.197   5.969   5.969
  363   2HB   TYR  57          3HB       TYR  57  -2.317   6.717   6.717
  364    HD1  TYR  57           HD2      TYR  57  -1.628   9.164   9.164
  365    HD2  TYR  57           HD1      TYR  57  -5.177   7.305   7.305
  366    HE1  TYR  57           HE2      TYR  57  -2.921  11.323  11.323
  367    HE2  TYR  57           HE1      TYR  57  -6.459   9.470   9.470
  368    HH   TYR  57           HH       TYR  57  -5.136  12.318  12.318
  369    H    GLU  58           HN       GLU  58   1.095   6.269   6.269
  370    HA   GLU  58           HA       GLU  58   1.075   3.488   3.488
  371   1HB   GLU  58          2HB       GLU  58   3.401   3.530   3.530
  372   2HB   GLU  58          3HB       GLU  58   3.140   4.746   4.746
  373   1HG   GLU  58          2HG       GLU  58   4.307   5.868   5.868
  374   2HG   GLU  58          3HG       GLU  58   2.646   6.415   6.415
  375    H    TRP  59           HN       TRP  59   0.880   1.745   1.745
  376    HA   TRP  59           HA       TRP  59   0.930   2.209   2.209
  377   1HB   TRP  59          2HB       TRP  59  -1.288   2.958   2.958
  378   2HB   TRP  59          3HB       TRP  59  -1.664   1.678   1.678
  379    HD1  TRP  59           HD1      TRP  59  -2.390  -0.699  -0.699
  380    HE1  TRP  59           HE1      TRP  59  -3.056  -1.575  -1.575
  381    HE3  TRP  59           HE3      TRP  59  -0.662   3.355   3.355
  382    HZ2  TRP  59           HZ2      TRP  59  -2.791  -0.500  -0.500
  383    HZ3  TRP  59           HZ3      TRP  59  -0.904   3.362   3.362
  384    HH2  TRP  59           HH2      TRP  59  -1.926   1.523   1.523
  385    HA   PRO  60           HA       PRO  60   2.183  -1.930  -1.930
  386   1HB   PRO  60          2HB       PRO  60   2.125  -2.749  -2.749
  387   2HB   PRO  60          3HB       PRO  60   3.445  -1.824  -1.824
  388   1HG   PRO  60          2HG       PRO  60   1.294  -0.921  -0.921
  389   2HG   PRO  60          3HG       PRO  60   2.829  -0.152  -0.152
  390   1HD   PRO  60          2HD       PRO  60   0.257   0.613   0.613
  391   2HD   PRO  60          3HD       PRO  60   1.805   1.307   1.307
  392    H    ILE  61           HN       ILE  61   1.498  -4.037  -4.037
  393    HA   ILE  61           HA       ILE  61  -1.359  -4.316  -4.316
  394    HB   ILE  61           HB       ILE  61  -0.649  -4.169  -4.169
  395   1HG1  ILE  61          2HG1      ILE  61  -1.956  -6.821  -6.821
  396   2HG1  ILE  61          3HG1      ILE  61  -2.745  -5.332  -5.332
  397   1HG2  ILE  61          3HG2      ILE  61   1.352  -5.879  -5.879
  398   2HG2  ILE  61          1HG2      ILE  61   0.167  -7.004  -7.004
  399   3HG2  ILE  61          2HG2      ILE  61   0.760  -5.622  -5.622
  400   1HD1  ILE  61          2HD1      ILE  61  -2.316  -4.519  -4.519
  401   2HD1  ILE  61          3HD1      ILE  61  -1.960  -6.224  -6.224
  402   3HD1  ILE  61          1HD1      ILE  61  -3.568  -5.760  -5.760
  403    H    LEU  62           HN       LEU  62  -1.899  -5.799  -5.799
  404    HA   LEU  62           HA       LEU  62   0.199  -7.588  -7.588
  405   1HB   LEU  62          2HB       LEU  62  -2.451  -6.690  -6.690
  406   2HB   LEU  62          3HB       LEU  62  -1.615  -8.079  -8.079
  407    HG   LEU  62           HG       LEU  62  -0.276  -5.382  -5.382
  408   1HD1  LEU  62          1HD1      LEU  62  -2.490  -5.358  -5.358
  409   2HD1  LEU  62          2HD1      LEU  62  -1.617  -6.330  -6.330
  410   3HD1  LEU  62          3HD1      LEU  62  -1.031  -4.705  -4.705
  411   1HD2  LEU  62          1HD2      LEU  62   0.261  -7.812  -7.812
  412   2HD2  LEU  62          2HD2      LEU  62   1.228  -7.246  -7.246
  413   3HD2  LEU  62          3HD2      LEU  62   1.134  -6.264  -6.264
  414    H    SER  63           HN       SER  63   0.374  -9.630  -9.630
  415    HA   SER  63           HA       SER  63  -1.434 -10.642 -10.642
  416   1HB   SER  63          2HB       SER  63   1.093 -11.378 -11.378
  417   2HB   SER  63          3HB       SER  63   0.045 -12.772 -12.772
  418    HG   SER  63           HG       SER  63  -0.164 -11.536 -11.536
  419    H    SER  64           HN       SER  64  -1.854 -10.178 -10.178
  420    HA   SER  64           HA       SER  64  -3.412 -12.603 -12.603
  421   1HB   SER  64          2HB       SER  64  -3.094 -10.583 -10.583
  422   2HB   SER  64          3HB       SER  64  -3.189 -12.330 -12.330
  423    HG   SER  64           HG       SER  64  -1.035 -11.613 -11.613
  424    H    GLY  65           HN       GLY  65  -3.778  -9.501  -9.501
  425   1HA   GLY  65          1HA       GLY  65  -5.610  -8.303  -8.303
  426   2HA   GLY  65          2HA       GLY  65  -6.614  -9.596  -9.596
  427    H    ASP  66           HN       ASP  66  -4.076  -7.761  -7.761
  428    HA   ASP  66           HA       ASP  66  -6.216  -6.886  -6.886
  429   1HB   ASP  66          2HB       ASP  66  -3.241  -7.366  -7.366
  430   2HB   ASP  66          3HB       ASP  66  -4.251  -6.549  -6.549
  431    H    VAL  67           HN       VAL  67  -4.585  -4.907  -4.907
  432    HA   VAL  67           HA       VAL  67  -4.096  -2.988  -2.988
  433    HB   VAL  67           HB       VAL  67  -5.472  -2.711  -2.711
  434   1HG1  VAL  67          1HG1      VAL  67  -3.972  -0.607  -0.607
  435   2HG1  VAL  67          2HG1      VAL  67  -5.449  -0.172  -0.172
  436   3HG1  VAL  67          3HG1      VAL  67  -4.063  -0.882  -0.882
  437   1HG2  VAL  67          1HG2      VAL  67  -6.247  -2.696  -2.696
  438   2HG2  VAL  67          2HG2      VAL  67  -7.262  -2.754  -2.754
  439   3HG2  VAL  67          3HG2      VAL  67  -6.733  -1.185  -1.185
  440    H    TYR  68           HN       TYR  68  -2.005  -2.384  -2.384
  441    HA   TYR  68           HA       TYR  68  -0.130  -3.186  -3.186
  442   1HB   TYR  68          2HB       TYR  68  -0.330  -1.833  -1.833
  443   2HB   TYR  68          3HB       TYR  68   1.030  -1.271  -1.271
  444    HD1  TYR  68           HD1      TYR  68   2.163  -3.526  -3.526
  445    HD2  TYR  68           HD2      TYR  68   0.316  -3.371  -3.371
  446    HE1  TYR  68           HE1      TYR  68   3.507  -5.556  -5.556
  447    HE2  TYR  68           HE2      TYR  68   1.666  -5.401  -5.401
  448    HH   TYR  68           HH       TYR  68   4.213  -6.345  -6.345
  449    H    SER  69           HN       SER  69   0.660  -2.095  -2.095
  450    HA   SER  69           HA       SER  69   0.589   0.759   0.759
  451   1HB   SER  69          2HB       SER  69  -0.844   1.102   1.102
  452   2HB   SER  69          3HB       SER  69  -1.710  -0.036  -0.036
  453    HG   SER  69           HG       SER  69  -0.222  -1.569  -1.569
  454    H    GLY  70           HN       GLY  70   2.919  -0.245  -0.245
  455   1HA   GLY  70          1HA       GLY  70   3.946  -0.229  -0.229
  456   2HA   GLY  70          2HA       GLY  70   4.253  -1.666  -1.666
  457    H    GLY  71           HN       GLY  71   4.041   0.600   0.600
  458   1HA   GLY  71          1HA       GLY  71   5.485   2.068   2.068
  459   2HA   GLY  71          2HA       GLY  71   6.606   1.901   1.901
  460    H    SER  72           HN       SER  72   6.432  -1.152  -1.152
  461    HA   SER  72           HA       SER  72   8.131  -1.395  -1.395
  462   1HB   SER  72          2HB       SER  72   8.825  -1.853  -1.853
  463   2HB   SER  72          3HB       SER  72   8.352  -3.464  -3.464
  464    HG   SER  72           HG       SER  72  10.663  -2.159  -2.159
  465    HA   PRO  73           HA       PRO  73   4.574  -4.061  -4.061
  466   1HB   PRO  73          2HB       PRO  73   4.246  -3.428  -3.428
  467   2HB   PRO  73          3HB       PRO  73   3.400  -2.605  -2.605
  468   1HG   PRO  73          2HG       PRO  73   5.688  -1.657  -1.657
  469   2HG   PRO  73          3HG       PRO  73   4.574  -0.724  -0.724
  470   1HD   PRO  73          2HD       PRO  73   7.267  -1.444  -1.444
  471   2HD   PRO  73          3HD       PRO  73   6.116  -0.610  -0.610
  472    H    GLY  74           HN       GLY  74   7.237  -3.566  -3.566
  473   1HA   GLY  74          1HA       GLY  74   8.637  -5.749  -5.749
  474   2HA   GLY  74          2HA       GLY  74   7.193  -6.448  -6.448
  475    H    ALA  75           HN       ALA  75   7.277  -6.659  -6.659
  476    HA   ALA  75           HA       ALA  75   8.831  -4.636  -4.636
  477   1HB   ALA  75          1HB       ALA  75   8.403  -7.608  -7.608
  478   2HB   ALA  75          2HB       ALA  75   9.054  -6.523  -6.523
  479   3HB   ALA  75          3HB       ALA  75   9.936  -6.747  -6.747
  480    H    ASP  76           HN       ASP  76   5.923  -6.784  -6.784
  481    HA   ASP  76           HA       ASP  76   4.859  -5.829  -5.829
  482   1HB   ASP  76          2HB       ASP  76   3.135  -6.606  -6.606
  483   2HB   ASP  76          3HB       ASP  76   2.843  -6.916  -6.916
  484    H    ARG  77           HN       ARG  77   3.760  -3.898  -3.898
  485    HA   ARG  77           HA       ARG  77   2.618  -2.432  -2.432
  486   1HB   ARG  77          2HB       ARG  77   4.523  -1.064  -1.064
  487   2HB   ARG  77          3HB       ARG  77   3.754  -0.332  -0.332
  488   1HG   ARG  77          2HG       ARG  77   5.360  -2.777  -2.777
  489   2HG   ARG  77          3HG       ARG  77   6.290  -1.412  -1.412
  490   1HD   ARG  77          2HD       ARG  77   4.527  -0.249  -0.249
  491   2HD   ARG  77          3HD       ARG  77   4.949  -1.780  -1.780
  492    HE   ARG  77           HE       ARG  77   6.841   0.410   0.410
  493   1HH1  ARG  77           HH2      ARG  77   6.313  -2.786  -2.786
  494   2HH1  ARG  77           HH2      ARG  77   7.850  -2.838  -2.838
  495   1HH2  ARG  77           HH1      ARG  77   8.870   0.343   0.343
  496   2HH2  ARG  77           HH1      ARG  77   9.314  -1.046  -1.046
  497    H    VAL  78           HN       VAL  78   1.002  -0.830  -0.830
  498    HA   VAL  78           HA       VAL  78   0.204  -1.315  -1.315
  499    HB   VAL  78           HB       VAL  78  -1.833  -1.779  -1.779
  500   1HG1  VAL  78          1HG1      VAL  78  -0.203  -2.561  -2.561
  501   2HG1  VAL  78          2HG1      VAL  78  -1.273  -1.465  -1.465
  502   3HG1  VAL  78          3HG1      VAL  78  -1.961  -2.838  -2.838
  503   1HG2  VAL  78          1HG2      VAL  78  -2.187   0.698   0.698
  504   2HG2  VAL  78          2HG2      VAL  78  -3.209  -0.282  -0.282
  505   3HG2  VAL  78          3HG2      VAL  78  -1.781   0.561   0.561
  506    H    VAL  79           HN       VAL  79  -0.859   0.538   0.538
  507    HA   VAL  79           HA       VAL  79  -0.209   3.121   3.121
  508    HB   VAL  79           HB       VAL  79   0.727   2.141   2.141
  509   1HG1  VAL  79          3HG1      VAL  79  -0.137   4.721   4.721
  510   2HG1  VAL  79          1HG1      VAL  79   1.635   4.800   4.800
  511   3HG1  VAL  79          2HG1      VAL  79   0.893   4.244   4.244
  512   1HG2  VAL  79          2HG2      VAL  79   1.972   1.797   1.797
  513   2HG2  VAL  79          3HG2      VAL  79   2.835   2.039   2.039
  514   3HG2  VAL  79          1HG2      VAL  79   2.583   3.412   3.412
  515    H    PHE  80           HN       PHE  80  -2.523   3.229   3.229
  516    HA   PHE  80           HA       PHE  80  -4.137   3.194   3.194
  517   1HB   PHE  80          2HB       PHE  80  -5.983   3.245   3.245
  518   2HB   PHE  80          3HB       PHE  80  -4.807   2.059   2.059
  519    HD1  PHE  80           HD2      PHE  80  -2.979   2.966   2.966
  520    HD2  PHE  80           HD1      PHE  80  -6.725   4.837   4.837
  521    HE1  PHE  80           HE2      PHE  80  -2.804   4.134   4.134
  522    HE2  PHE  80           HE1      PHE  80  -6.549   6.005   6.005
  523    HZ   PHE  80           HZ       PHE  80  -4.590   5.640   5.640
  524    H    ASN  81           HN       ASN  81  -6.149   5.034   5.034
  525    HA   ASN  81           HA       ASN  81  -4.641   7.524   7.524
  526   1HB   ASN  81          2HB       ASN  81  -7.203   7.454   7.454
  527   2HB   ASN  81          3HB       ASN  81  -5.755   8.397   8.397
  528   1HD2  ASN  81          2HD2      ASN  81  -6.034   4.469   4.469
  529   2HD2  ASN  81          1HD2      ASN  81  -6.959   5.056   5.056
  530    H    GLU  82           HN       GLU  82  -6.945   9.253   9.253
  531    HA   GLU  82           HA       GLU  82  -8.039   8.669   8.669
  532   1HB   GLU  82          2HB       GLU  82  -7.191  10.916  10.916
  533   2HB   GLU  82          3HB       GLU  82  -8.131  11.124  11.124
  534   1HG   GLU  82          2HG       GLU  82 -10.079  11.576  11.576
  535   2HG   GLU  82          3HG       GLU  82  -9.742  10.400  10.400
  536    H    ASN  83           HN       ASN  83  -8.804   7.246   7.246
  537    HA   ASN  83           HA       ASN  83 -11.625   7.961   7.961
  538   1HB   ASN  83          2HB       ASN  83 -11.174   6.125   6.125
  539   2HB   ASN  83          3HB       ASN  83 -11.392   7.855   7.855
  540   1HD2  ASN  83          2HD2      ASN  83  -7.775   6.054   6.054
  541   2HD2  ASN  83          1HD2      ASN  83  -9.220   5.210   5.210
  542    H    ASN  84           HN       ASN  84  -9.170   5.507   5.507
  543    HA   ASN  84           HA       ASN  84  -9.682   3.864   3.864
  544   1HB   ASN  84          2HB       ASN  84 -11.776   2.712   2.712
  545   2HB   ASN  84          3HB       ASN  84 -12.227   4.364   4.364
  546   1HD2  ASN  84          2HD2      ASN  84 -12.197   3.195   3.195
  547   2HD2  ASN  84          1HD2      ASN  84 -11.012   4.038   4.038
  548    H    GLN  85           HN       GLN  85  -8.575   4.250   4.250
  549    HA   GLN  85           HA       GLN  85  -8.801   1.495   1.495
  550   1HB   GLN  85          2HB       GLN  85  -7.843   3.996   3.996
  551   2HB   GLN  85          3HB       GLN  85  -7.850   2.388   2.388
  552   1HG   GLN  85          2HG       GLN  85 -10.286   2.234   2.234
  553   2HG   GLN  85          3HG       GLN  85 -10.354   3.723   3.723
  554   1HE2  GLN  85          2HE2      GLN  85 -10.238   5.920   5.920
  555   2HE2  GLN  85          1HE2      GLN  85 -10.206   5.683   5.683
  556    H    LEU  86           HN       LEU  86  -7.138   0.131   0.131
  557    HA   LEU  86           HA       LEU  86  -4.586   1.362   1.362
  558   1HB   LEU  86          2HB       LEU  86  -5.385   0.068   0.068
  559   2HB   LEU  86          3HB       LEU  86  -5.951  -1.212  -1.212
  560    HG   LEU  86           HG       LEU  86  -3.075  -0.567  -0.567
  561   1HD1  LEU  86          3HD1      LEU  86  -5.036  -2.189  -2.189
  562   2HD1  LEU  86          1HD1      LEU  86  -3.833  -3.273  -3.273
  563   3HD1  LEU  86          2HD1      LEU  86  -3.311  -2.011  -2.011
  564   1HD2  LEU  86          1HD2      LEU  86  -4.224  -2.136  -2.136
  565   2HD2  LEU  86          2HD2      LEU  86  -2.634  -1.351  -1.351
  566   3HD2  LEU  86          3HD2      LEU  86  -2.927  -2.935  -2.935
  567    H    ALA  87           HN       ALA  87  -2.745   1.029   1.029
  568    HA   ALA  87           HA       ALA  87  -2.792  -1.068  -1.068
  569   1HB   ALA  87          3HB       ALA  87  -2.396   1.896   1.896
  570   2HB   ALA  87          1HB       ALA  87  -1.983   0.596   0.596
  571   3HB   ALA  87          2HB       ALA  87  -3.675   0.837   0.837
  572    H    GLY  88           HN       GLY  88  -1.280   0.947   0.947
  573   1HA   GLY  88          1HA       GLY  88   1.426   0.627   0.627
  574   2HA   GLY  88          2HA       GLY  88   0.858   1.186   1.186
  575    H    VAL  89           HN       VAL  89   0.231  -1.932  -1.932
  576    HA   VAL  89           HA       VAL  89   0.727  -3.393  -3.393
  577    HB   VAL  89           HB       VAL  89  -0.246  -3.905  -3.905
  578   1HG1  VAL  89          2HG1      VAL  89   1.240  -5.978  -5.978
  579   2HG1  VAL  89          3HG1      VAL  89  -0.048  -6.430  -6.430
  580   3HG1  VAL  89          1HG1      VAL  89   1.400  -5.578  -5.578
  581   1HG2  VAL  89          3HG2      VAL  89  -1.224  -3.972  -3.972
  582   2HG2  VAL  89          1HG2      VAL  89  -2.126  -4.142  -4.142
  583   3HG2  VAL  89          2HG2      VAL  89  -1.438  -5.580  -5.580
  584    H    ILE  90           HN       ILE  90   2.970  -1.747  -1.747
  585    HA   ILE  90           HA       ILE  90   4.855  -3.348  -3.348
  586    HB   ILE  90           HB       ILE  90   6.385  -1.636  -1.636
  587   1HG1  ILE  90          2HG1      ILE  90   5.345  -1.626  -1.626
  588   2HG1  ILE  90          3HG1      ILE  90   6.612  -0.586  -0.586
  589   1HG2  ILE  90          2HG2      ILE  90   4.375  -1.076  -1.076
  590   2HG2  ILE  90          3HG2      ILE  90   3.736  -0.182  -0.182
  591   3HG2  ILE  90          1HG2      ILE  90   5.281   0.305   0.305
  592   1HD1  ILE  90          3HD1      ILE  90   4.857   1.062   1.062
  593   2HD1  ILE  90          1HD1      ILE  90   3.621   0.026   0.026
  594   3HD1  ILE  90          2HD1      ILE  90   4.870   0.798   0.798
  595    H    THR  91           HN       THR  91   7.102  -3.763  -3.763
  596    HA   THR  91           HA       THR  91   6.889  -4.544  -4.544
  597    HB   THR  91           HB       THR  91   5.714  -6.488  -6.488
  598    HG1  THR  91           HG1      THR  91   8.000  -6.967  -6.967
  599   1HG2  THR  91          2HG2      THR  91   7.254  -6.607  -6.607
  600   2HG2  THR  91          3HG2      THR  91   5.949  -7.706  -7.706
  601   3HG2  THR  91          1HG2      THR  91   5.590  -5.996  -5.996
  602    H    HIS  92           HN       HIS  92   8.912  -5.349  -5.349
  603    HA   HIS  92           HA       HIS  92  11.090  -4.169  -4.169
  604   1HB   HIS  92          2HB       HIS  92  10.761  -5.585  -5.585
  605   2HB   HIS  92          3HB       HIS  92  12.356  -5.198  -5.198
  606    HD1  HIS  92           HD1      HIS  92  12.913  -3.408  -3.408
  607    HD2  HIS  92           HD2      HIS  92   9.362  -2.640  -2.640
  608    HE1  HIS  92           HE1      HIS  92  12.225  -1.027  -1.027
  609    HE2  HIS  92           HE2      HIS  92  10.068  -0.593  -0.593
  610    H    THR  93           HN       THR  93   9.494  -6.792  -6.792
  611    HA   THR  93           HA       THR  93  11.159  -8.971  -8.971
  612    HB   THR  93           HB       THR  93   9.017  -7.897  -7.897
  613    HG1  THR  93           HG1      THR  93   8.278  -9.146  -9.146
  614   1HG2  THR  93          1HG2      THR  93  10.915 -10.202 -10.202
  615   2HG2  THR  93          2HG2      THR  93   9.210 -10.275 -10.275
  616   3HG2  THR  93          3HG2      THR  93  10.268  -8.980  -8.980
  617    H    GLY  94           HN       GLY  94  13.359  -8.410  -8.410
  618   1HA   GLY  94          1HA       GLY  94  15.271  -7.588  -7.588
  619   2HA   GLY  94          2HA       GLY  94  14.826  -8.824  -8.824
  620    H    ALA  95           HN       ALA  95  13.201  -5.656  -5.656
  621    HA   ALA  95           HA       ALA  95  12.881  -5.083  -5.083
  622   1HB   ALA  95          1HB       ALA  95  12.510  -3.705  -3.705
  623   2HB   ALA  95          2HB       ALA  95  12.627  -2.663  -2.663
  624   3HB   ALA  95          3HB       ALA  95  11.371  -3.921  -3.921
  625    H    SER  96           HN       SER  96  15.704  -5.201  -5.201
  626    HA   SER  96           HA       SER  96  17.736  -4.839  -4.839
  627   1HB   SER  96          2HB       SER  96  16.549  -3.942  -3.942
  628   2HB   SER  96          3HB       SER  96  16.714  -2.352  -2.352
  629    HG   SER  96           HG       SER  96  18.525  -2.697  -2.697
  630    H    GLY  97           HN       GLY  97  16.836  -4.195  -4.195
  631   1HA   GLY  97          1HA       GLY  97  18.292  -2.914  -2.914
  632   2HA   GLY  97          2HA       GLY  97  18.009  -1.519  -1.519
  633    H    ASN  98           HN       ASN  98  16.769  -0.091  -0.091
  634    HA   ASN  98           HA       ASN  98  14.678  -1.196  -1.196
  635   1HB   ASN  98          2HB       ASN  98  16.095   0.516   0.516
  636   2HB   ASN  98          3HB       ASN  98  15.853   1.613   1.613
  637   1HD2  ASN  98          2HD2      ASN  98  12.369   0.792   0.792
  638   2HD2  ASN  98          1HD2      ASN  98  13.365  -0.452  -0.452
  639    H    ASN  99           HN       ASN  99  14.909  -0.679  -0.679
  640    HA   ASN  99           HA       ASN  99  12.977   1.267   1.267
  641   1HB   ASN  99          2HB       ASN  99  12.931  -0.419  -0.419
  642   2HB   ASN  99          3HB       ASN  99  14.079   0.886   0.886
  643   1HD2  ASN  99          2HD2      ASN  99  15.303  -2.848  -2.848
  644   2HD2  ASN  99          1HD2      ASN  99  13.740  -2.207  -2.207
  645    H    PHE 100           HN       PHE 100  10.870   0.585   0.585
  646    HA   PHE 100           HA       PHE 100   9.696  -1.762  -1.762
  647   1HB   PHE 100          2HB       PHE 100   8.733   1.064   1.064
  648   2HB   PHE 100          3HB       PHE 100   7.547  -0.221  -0.221
  649    HD1  PHE 100           HD2      PHE 100   8.106  -1.794  -1.794
  650    HD2  PHE 100           HD1      PHE 100   8.876   2.355   2.355
  651    HE1  PHE 100           HE2      PHE 100   8.044  -1.514  -1.514
  652    HE2  PHE 100           HE1      PHE 100   8.814   2.635   2.635
  653    HZ   PHE 100           HZ       PHE 100   8.399   0.696   0.696
  654    H    VAL 101           HN       VAL 101   7.749  -2.659  -2.659
  655    HA   VAL 101           HA       VAL 101   7.599  -2.060  -2.060
  656    HB   VAL 101           HB       VAL 101   8.354  -4.254  -4.254
  657   1HG1  VAL 101          2HG1      VAL 101   9.856  -2.221  -2.221
  658   2HG1  VAL 101          3HG1      VAL 101  10.576  -2.893  -2.893
  659   3HG1  VAL 101          1HG1      VAL 101  10.698  -3.789  -3.789
  660   1HG2  VAL 101          1HG2      VAL 101   8.438  -4.853  -4.853
  661   2HG2  VAL 101          2HG2      VAL 101   8.618  -5.948  -5.948
  662   3HG2  VAL 101          3HG2      VAL 101  10.044  -5.122  -5.122
  663    H    GLU 102           HN       GLU 102   5.499  -2.372  -2.372
  664    HA   GLU 102           HA       GLU 102   3.673  -3.287  -3.287
  665   1HB   GLU 102          2HB       GLU 102   2.288  -3.689  -3.689
  666   2HB   GLU 102          3HB       GLU 102   2.681  -2.076  -2.076
  667   1HG   GLU 102          2HG       GLU 102   4.572  -1.908  -1.908
  668   2HG   GLU 102          3HG       GLU 102   4.506  -3.617  -3.617
  669    H    CYS 103           HN       CYS 103   3.120  -5.280  -5.280
  670    HA   CYS 103           HA       CYS 103   4.482  -7.548  -7.548
  671   1HB   CYS 103          2HB       CYS 103   1.656  -7.268  -7.268
  672   2HB   CYS 103          3HB       CYS 103   2.558  -8.772  -8.772
  673    H    THR 104           HN       THR 104   3.042  -9.668  -9.668
  674    HA   THR 104           HA       THR 104   2.104  -8.901  -8.901
  675    HB   THR 104           HB       THR 104   2.883 -11.182 -11.182
  676    HG1  THR 104           HG1      THR 104   3.111 -12.562 -12.562
  677   1HG2  THR 104          1HG2      THR 104   4.596  -9.082  -9.082
  678   2HG2  THR 104          2HG2      THR 104   5.225 -10.458 -10.458
  679   3HG2  THR 104          3HG2      THR 104   5.096 -10.574 -10.574

  Start of MODEL   21
    1    H    ALA   1           HN       ALA   1  -7.123 -14.167 -14.167
    2    HA   ALA   1           HA       ALA   1  -8.386 -14.593 -14.593
    3   1HB   ALA   1          3HB       ALA   1  -7.545 -16.313 -16.313
    4   2HB   ALA   1          1HB       ALA   1  -5.944 -16.043 -16.043
    5   3HB   ALA   1          2HB       ALA   1  -7.281 -16.669 -16.669
    6    H    CYS   2           HN       CYS   2  -5.054 -13.742 -13.742
    7    HA   CYS   2           HA       CYS   2  -4.542 -12.794 -12.794
    8   1HB   CYS   2          2HB       CYS   2  -2.126 -13.229 -13.229
    9   2HB   CYS   2          3HB       CYS   2  -2.609 -13.867 -13.867
   10    H    ASP   3           HN       ASP   3  -5.871 -10.949 -10.949
   11    HA   ASP   3           HA       ASP   3  -5.031  -9.523  -9.523
   12   1HB   ASP   3          2HB       ASP   3  -5.791  -8.381  -8.381
   13   2HB   ASP   3          3HB       ASP   3  -5.801  -7.458  -7.458
   14    H    TYR   4           HN       TYR   4  -3.415  -9.859  -9.859
   15    HA   TYR   4           HA       TYR   4  -1.149  -8.340  -8.340
   16   1HB   TYR   4          2HB       TYR   4  -2.457  -8.156  -8.156
   17   2HB   TYR   4          3HB       TYR   4  -1.002  -7.296  -7.296
   18    HD1  TYR   4           HD2      TYR   4  -1.144  -5.494  -5.494
   19    HD2  TYR   4           HD1      TYR   4  -4.618  -7.286  -7.286
   20    HE1  TYR   4           HE2      TYR   4  -2.561  -3.542  -3.542
   21    HE2  TYR   4           HE1      TYR   4  -6.024  -5.328  -5.328
   22    HH   TYR   4           HH       TYR   4  -4.507  -2.566  -2.566
   23    H    THR   5           HN       THR   5   0.505  -9.776  -9.776
   24    HA   THR   5           HA       THR   5   0.742 -11.618 -11.618
   25    HB   THR   5           HB       THR   5   0.749 -12.047 -12.047
   26    HG1  THR   5           HG1      THR   5   0.423 -14.270 -14.270
   27   1HG2  THR   5          1HG2      THR   5   3.163 -12.535 -12.535
   28   2HG2  THR   5          2HG2      THR   5   2.547 -13.669 -13.669
   29   3HG2  THR   5          3HG2      THR   5   2.256 -13.982 -13.982
   30    H    CYS   6           HN       CYS   6   2.271 -10.779 -10.779
   31    HA   CYS   6           HA       CYS   6   4.423  -9.281  -9.281
   32   1HB   CYS   6          2HB       CYS   6   3.563 -10.049 -10.049
   33   2HB   CYS   6          3HB       CYS   6   5.205  -9.495  -9.495
   34    H    GLY   7           HN       GLY   7   4.822 -11.399 -11.399
   35   1HA   GLY   7          1HA       GLY   7   6.555 -12.805 -12.805
   36   2HA   GLY   7          2HA       GLY   7   7.135 -12.707 -12.707
   37    H    SER   8           HN       SER   8   4.941 -13.489 -13.489
   38    HA   SER   8           HA       SER   8   3.919 -15.911 -15.911
   39   1HB   SER   8          2HB       SER   8   5.007 -17.452 -17.452
   40   2HB   SER   8          3HB       SER   8   6.290 -16.276 -16.276
   41    HG   SER   8           HG       SER   8   5.524 -17.126 -17.126
   42    H    ASN   9           HN       ASN   9   2.451 -13.685 -13.685
   43    HA   ASN   9           HA       ASN   9   1.216 -14.425 -14.425
   44   1HB   ASN   9          2HB       ASN   9   1.289 -11.618 -11.618
   45   2HB   ASN   9          3HB       ASN   9   0.620 -12.046 -12.046
   46   1HD2  ASN   9          2HD2      ASN   9   4.734 -12.137 -12.137
   47   2HD2  ASN   9          1HD2      ASN   9   3.624 -12.485 -12.485
   48    H    CYS  10           HN       CYS  10  -1.090 -12.743 -12.743
   49    HA   CYS  10           HA       CYS  10  -2.213 -12.817 -12.817
   50   1HB   CYS  10          2HB       CYS  10  -2.189 -15.259 -15.259
   51   2HB   CYS  10          3HB       CYS  10  -3.177 -15.021 -15.021
   52    H    TYR  11           HN       TYR  11  -2.396 -10.618 -10.618
   53    HA   TYR  11           HA       TYR  11  -4.269 -10.447 -10.447
   54   1HB   TYR  11          2HB       TYR  11  -3.051  -8.231  -8.231
   55   2HB   TYR  11          3HB       TYR  11  -3.532  -8.106  -8.106
   56    HD1  TYR  11           HD1      TYR  11  -2.176  -9.473  -9.473
   57    HD2  TYR  11           HD2      TYR  11  -0.820  -8.715  -8.715
   58    HE1  TYR  11           HE1      TYR  11   0.215  -9.965  -9.965
   59    HE2  TYR  11           HE2      TYR  11   1.566  -9.209  -9.209
   60    HH   TYR  11           HH       TYR  11   2.852  -9.109  -9.109
   61    H    SER  12           HN       SER  12  -5.633 -11.650 -11.650
   62    HA   SER  12           HA       SER  12  -6.722 -10.517 -10.517
   63   1HB   SER  12          2HB       SER  12  -9.072 -11.248 -11.248
   64   2HB   SER  12          3HB       SER  12  -8.030 -12.324 -12.324
   65    HG   SER  12           HG       SER  12  -7.823 -13.368 -13.368
   66    H    SER  13           HN       SER  13  -8.493  -9.013  -9.013
   67    HA   SER  13           HA       SER  13  -8.293  -6.579  -6.579
   68   1HB   SER  13          2HB       SER  13 -10.435  -6.070  -6.070
   69   2HB   SER  13          3HB       SER  13  -9.716  -7.341  -7.341
   70    HG   SER  13           HG       SER  13 -11.033  -8.751  -8.751
   71    H    SER  14           HN       SER  14  -9.724  -9.317  -9.317
   72    HA   SER  14           HA       SER  14 -11.251  -7.708  -7.708
   73   1HB   SER  14          2HB       SER  14 -11.968 -10.001 -10.001
   74   2HB   SER  14          3HB       SER  14 -10.531 -10.673 -10.673
   75    HG   SER  14           HG       SER  14 -11.938  -9.017  -9.017
   76    H    ASP  15           HN       ASP  15  -7.992  -9.012  -9.012
   77    HA   ASP  15           HA       ASP  15  -7.501  -8.798  -8.798
   78   1HB   ASP  15          2HB       ASP  15  -6.076  -9.769  -9.769
   79   2HB   ASP  15          3HB       ASP  15  -5.020  -9.000  -9.000
   80    H    VAL  16           HN       VAL  16  -7.472  -6.800  -6.800
   81    HA   VAL  16           HA       VAL  16  -5.416  -5.010  -5.010
   82    HB   VAL  16           HB       VAL  16  -7.389  -4.997  -4.997
   83   1HG1  VAL  16          1HG1      VAL  16  -6.658  -2.680  -2.680
   84   2HG1  VAL  16          2HG1      VAL  16  -5.127  -3.027  -3.027
   85   3HG1  VAL  16          3HG1      VAL  16  -6.647  -2.940  -2.940
   86   1HG2  VAL  16          3HG2      VAL  16  -4.793  -6.152  -6.152
   87   2HG2  VAL  16          1HG2      VAL  16  -5.841  -6.223  -6.223
   88   3HG2  VAL  16          2HG2      VAL  16  -4.676  -4.889  -4.889
   89    H    SER  17           HN       SER  17  -8.910  -4.446  -4.446
   90    HA   SER  17           HA       SER  17  -9.272  -2.106  -2.106
   91   1HB   SER  17          2HB       SER  17 -10.994  -3.662  -3.662
   92   2HB   SER  17          3HB       SER  17 -11.241  -4.382  -4.382
   93    HG   SER  17           HG       SER  17 -11.408  -1.532  -1.532
   94    H    THR  18           HN       THR  18  -9.237  -5.267  -5.267
   95    HA   THR  18           HA       THR  18  -9.936  -4.382  -4.382
   96    HB   THR  18           HB       THR  18  -8.298  -6.630  -6.630
   97    HG1  THR  18           HG1      THR  18 -10.089  -7.671  -7.671
   98   1HG2  THR  18          3HG2      THR  18  -7.205  -5.889  -5.889
   99   2HG2  THR  18          1HG2      THR  18  -8.757  -6.329  -6.329
  100   3HG2  THR  18          2HG2      THR  18  -7.794  -7.567  -7.567
  101    H    ALA  19           HN       ALA  19  -6.585  -4.605  -4.605
  102    HA   ALA  19           HA       ALA  19  -5.351  -3.487  -3.487
  103   1HB   ALA  19          1HB       ALA  19  -4.664  -4.427  -4.427
  104   2HB   ALA  19          2HB       ALA  19  -3.943  -2.811  -2.811
  105   3HB   ALA  19          3HB       ALA  19  -3.581  -4.098  -4.098
  106    H    GLN  20           HN       GLN  20  -6.729  -2.012  -2.012
  107    HA   GLN  20           HA       GLN  20  -5.837   0.546   0.546
  108   1HB   GLN  20          2HB       GLN  20  -8.513  -0.091  -0.091
  109   2HB   GLN  20          3HB       GLN  20  -7.426   1.234   1.234
  110   1HG   GLN  20          2HG       GLN  20  -5.818  -1.035  -1.035
  111   2HG   GLN  20          3HG       GLN  20  -7.383  -1.552  -1.552
  112   1HE2  GLN  20          2HE2      GLN  20  -7.601   0.822   0.822
  113   2HE2  GLN  20          1HE2      GLN  20  -8.522  -0.053  -0.053
  114    H    ALA  21           HN       ALA  21  -9.060  -0.943  -0.943
  115    HA   ALA  21           HA       ALA  21 -10.383   1.036   1.036
  116   1HB   ALA  21          1HB       ALA  21 -10.220  -1.836  -1.836
  117   2HB   ALA  21          2HB       ALA  21 -10.571  -1.073  -1.073
  118   3HB   ALA  21          3HB       ALA  21 -11.631  -0.765  -0.765
  119    H    ALA  22           HN       ALA  22  -7.355  -0.371  -0.371
  120    HA   ALA  22           HA       ALA  22  -7.570   1.080   1.080
  121   1HB   ALA  22          1HB       ALA  22  -6.584  -1.284  -1.284
  122   2HB   ALA  22          2HB       ALA  22  -5.172  -0.450  -0.450
  123   3HB   ALA  22          3HB       ALA  22  -5.647  -0.145  -0.145
  124    H    GLY  23           HN       GLY  23  -5.528   1.049   1.049
  125   1HA   GLY  23          1HA       GLY  23  -3.912   3.233   3.233
  126   2HA   GLY  23          2HA       GLY  23  -4.212   2.625   2.625
  127    H    TYR  24           HN       TYR  24  -7.015   3.001   3.001
  128    HA   TYR  24           HA       TYR  24  -7.080   5.769   5.769
  129   1HB   TYR  24          2HB       TYR  24  -8.248   3.652   3.652
  130   2HB   TYR  24          3HB       TYR  24  -9.379   3.744   3.744
  131    HD1  TYR  24           HD1      TYR  24  -8.521   7.049   7.049
  132    HD2  TYR  24           HD2      TYR  24 -10.777   3.825   3.825
  133    HE1  TYR  24           HE1      TYR  24  -9.931   8.709   8.709
  134    HE2  TYR  24           HE2      TYR  24 -12.178   5.496   5.496
  135    HH   TYR  24           HH       TYR  24 -12.704   8.251   8.251
  136    H    LYS  25           HN       LYS  25  -9.155   3.754   3.754
  137    HA   LYS  25           HA       LYS  25 -10.617   5.652   5.652
  138   1HB   LYS  25          2HB       LYS  25 -10.791   3.281   3.281
  139   2HB   LYS  25          3HB       LYS  25  -9.255   3.314   3.314
  140   1HG   LYS  25          2HG       LYS  25 -10.944   3.483   3.483
  141   2HG   LYS  25          3HG       LYS  25 -10.246   5.084   5.084
  142   1HD   LYS  25          2HD       LYS  25 -12.123   5.868   5.868
  143   2HD   LYS  25          3HD       LYS  25 -12.766   4.245   4.245
  144   1HE   LYS  25          2HE       LYS  25 -12.527   4.639   4.639
  145   2HE   LYS  25          3HE       LYS  25 -13.102   6.179   6.179
  146   1HZ   LYS  25          1HZ       LYS  25 -14.806   4.887   4.887
  147   2HZ   LYS  25          2HZ       LYS  25 -14.342   3.554   3.554
  148   3HZ   LYS  25          3HZ       LYS  25 -14.961   4.832   4.832
  149    H    LEU  26           HN       LEU  26  -7.342   4.687   4.687
  150    HA   LEU  26           HA       LEU  26  -7.190   6.764   6.764
  151   1HB   LEU  26          2HB       LEU  26  -5.813   4.820   4.820
  152   2HB   LEU  26          3HB       LEU  26  -5.082   5.119   5.119
  153    HG   LEU  26           HG       LEU  26  -4.455   7.433   7.433
  154   1HD1  LEU  26          2HD1      LEU  26  -5.411   6.553   6.553
  155   2HD1  LEU  26          3HD1      LEU  26  -4.250   5.205   5.205
  156   3HD1  LEU  26          1HD1      LEU  26  -3.665   6.877   6.877
  157   1HD2  LEU  26          1HD2      LEU  26  -3.082   4.957   4.957
  158   2HD2  LEU  26          2HD2      LEU  26  -2.629   6.660   6.660
  159   3HD2  LEU  26          3HD2      LEU  26  -2.269   5.865   5.865
  160    H    HIS  27           HN       HIS  27  -6.441   6.593   6.593
  161    HA   HIS  27           HA       HIS  27  -5.040   9.022   9.022
  162   1HB   HIS  27          2HB       HIS  27  -4.776   7.408   7.408
  163   2HB   HIS  27          3HB       HIS  27  -6.496   7.387   7.387
  164    HD1  HIS  27           HD1      HIS  27  -3.783  10.117  10.117
  165    HD2  HIS  27           HD2      HIS  27  -7.041   8.831   8.831
  166    HE1  HIS  27           HE1      HIS  27  -3.910  11.698  11.698
  167    HE2  HIS  27           HE2      HIS  27  -5.896  10.824  10.824
  168    H    GLU  28           HN       GLU  28  -8.497   8.144   8.144
  169    HA   GLU  28           HA       GLU  28  -9.311  10.668  10.668
  170   1HB   GLU  28          2HB       GLU  28 -11.385   9.264   9.264
  171   2HB   GLU  28          3HB       GLU  28 -11.300   9.613   9.613
  172   1HG   GLU  28          2HG       GLU  28  -9.728   7.645   7.645
  173   2HG   GLU  28          3HG       GLU  28  -9.952   7.269   7.269
  174    H    ASP  29           HN       ASP  29  -8.509   9.299   9.299
  175    HA   ASP  29           HA       ASP  29  -9.880  11.394  11.394
  176   1HB   ASP  29          2HB       ASP  29  -8.247   8.967   8.967
  177   2HB   ASP  29          3HB       ASP  29  -8.411  10.240  10.240
  178    H    GLY  30           HN       GLY  30  -6.827  10.787  10.787
  179   1HA   GLY  30          1HA       GLY  30  -5.047  12.167  12.167
  180   2HA   GLY  30          2HA       GLY  30  -5.766  13.319  13.319
  181    H    GLU  31           HN       GLU  31  -5.523   9.964   9.964
  182    HA   GLU  31           HA       GLU  31  -3.507  10.834  10.834
  183   1HB   GLU  31          2HB       GLU  31  -5.500   8.538   8.538
  184   2HB   GLU  31          3HB       GLU  31  -4.186   8.600   8.600
  185   1HG   GLU  31          2HG       GLU  31  -6.157  10.896  10.896
  186   2HG   GLU  31          3HG       GLU  31  -6.410   9.616   9.616
  187    H    THR  32           HN       THR  32  -2.018   8.815   8.815
  188    HA   THR  32           HA       THR  32  -1.124   7.449   7.449
  189    HB   THR  32           HB       THR  32   1.233   7.893   7.893
  190    HG1  THR  32           HG1      THR  32   0.778   8.515   8.515
  191   1HG2  THR  32          3HG2      THR  32  -0.564   9.776   9.776
  192   2HG2  THR  32          1HG2      THR  32   0.517  10.653  10.653
  193   3HG2  THR  32          2HG2      THR  32   1.200   9.626   9.626
  194    H    VAL  33           HN       VAL  33   0.638   5.702   5.702
  195    HA   VAL  33           HA       VAL  33  -0.450   4.374   4.374
  196    HB   VAL  33           HB       VAL  33  -0.735   2.370   2.370
  197   1HG1  VAL  33          1HG1      VAL  33  -2.297   4.236   4.236
  198   2HG1  VAL  33          2HG1      VAL  33  -1.355   4.227   4.227
  199   3HG1  VAL  33          3HG1      VAL  33  -2.225   2.761   2.761
  200   1HG2  VAL  33          2HG2      VAL  33   1.515   2.324   2.324
  201   2HG2  VAL  33          3HG2      VAL  33   0.235   1.734   1.734
  202   3HG2  VAL  33          1HG2      VAL  33   0.905   3.368   3.368
  203    H    GLY  34           HN       GLY  34   1.100   3.729   3.729
  204   1HA   GLY  34          1HA       GLY  34   3.125   3.016   3.016
  205   2HA   GLY  34          2HA       GLY  34   3.728   2.974   2.974
  206    H    SER  35           HN       SER  35   5.714   4.032   4.032
  207    HA   SER  35           HA       SER  35   5.470   6.677   6.677
  208   1HB   SER  35          2HB       SER  35   7.971   5.105   5.105
  209   2HB   SER  35          3HB       SER  35   7.936   6.596   6.596
  210    HG   SER  35           HG       SER  35   6.501   5.341   5.341
  211    H    ASN  36           HN       ASN  36   5.654   5.071   5.071
  212    HA   ASN  36           HA       ASN  36   7.085   7.093   7.093
  213   1HB   ASN  36          2HB       ASN  36   5.776   4.523   4.523
  214   2HB   ASN  36          3HB       ASN  36   5.496   5.705   5.705
  215   1HD2  ASN  36          2HD2      ASN  36   8.528   4.161   4.161
  216   2HD2  ASN  36          1HD2      ASN  36   6.809   3.954   3.954
  217    H    SER  37           HN       SER  37   5.394   7.433   7.433
  218    HA   SER  37           HA       SER  37   3.113   8.824   8.824
  219   1HB   SER  37          2HB       SER  37   3.446  10.527  10.527
  220   2HB   SER  37          3HB       SER  37   4.631  10.565  10.565
  221    HG   SER  37           HG       SER  37   5.059  10.210  10.210
  222    H    TYR  38           HN       TYR  38   2.799   6.215   6.215
  223    HA   TYR  38           HA       TYR  38   1.839   6.346   6.346
  224   1HB   TYR  38          2HB       TYR  38   2.372   4.153   4.153
  225   2HB   TYR  38          3HB       TYR  38   1.656   3.790   3.790
  226    HD1  TYR  38           HD2      TYR  38   4.442   6.166   6.166
  227    HD2  TYR  38           HD1      TYR  38   3.283   2.473   2.473
  228    HE1  TYR  38           HE2      TYR  38   6.761   5.932   5.932
  229    HE2  TYR  38           HE1      TYR  38   5.606   2.253   2.253
  230    HH   TYR  38           HH       TYR  38   7.472   4.146   4.146
  231    HA   PRO  39           HA       PRO  39   0.631   5.301   5.301
  232   1HB   PRO  39          2HB       PRO  39  -1.451   6.082   6.082
  233   2HB   PRO  39          3HB       PRO  39  -1.251   4.441   4.441
  234   1HG   PRO  39          2HG       PRO  39  -3.152   6.509   6.509
  235   2HG   PRO  39          3HG       PRO  39  -3.212   4.777   4.777
  236   1HD   PRO  39          2HD       PRO  39  -2.433   6.763   6.763
  237   2HD   PRO  39          3HD       PRO  39  -2.381   5.024   5.024
  238    H    HIS  40           HN       HIS  40   0.360   6.832   6.832
  239    HA   HIS  40           HA       HIS  40   0.217   9.529   9.529
  240   1HB   HIS  40          2HB       HIS  40   2.478  10.280  10.280
  241   2HB   HIS  40          3HB       HIS  40   2.076   9.198   9.198
  242    HD1  HIS  40           HD1      HIS  40   4.030   9.219   9.219
  243    HD2  HIS  40           HD2      HIS  40   3.758   7.022   7.022
  244    HE1  HIS  40           HE1      HIS  40   5.970   7.562   7.562
  245    HE2  HIS  40           HE2      HIS  40   5.783   6.278   6.278
  246    H    LYS  41           HN       LYS  41   1.555  10.755  10.755
  247    HA   LYS  41           HA       LYS  41   0.745   9.709   9.709
  248   1HB   LYS  41          2HB       LYS  41   1.270  12.082  12.082
  249   2HB   LYS  41          3HB       LYS  41   2.977  11.694  11.694
  250   1HG   LYS  41          2HG       LYS  41   2.460  12.529  12.529
  251   2HG   LYS  41          3HG       LYS  41   2.887  10.832  10.832
  252   1HD   LYS  41          2HD       LYS  41   0.897  10.396  10.396
  253   2HD   LYS  41          3HD       LYS  41   0.065  10.914  10.914
  254   1HE   LYS  41          2HE       LYS  41   1.090  13.011  13.011
  255   2HE   LYS  41          3HE       LYS  41  -0.382  12.144  12.144
  256   1HZ   LYS  41          2HZ       LYS  41  -0.093  13.290  13.290
  257   2HZ   LYS  41          3HZ       LYS  41  -0.475  14.271  14.271
  258   3HZ   LYS  41          1HZ       LYS  41  -1.451  13.019  13.019
  259    H    TYR  42           HN       TYR  42   2.137   9.040   9.040
  260    HA   TYR  42           HA       TYR  42   4.628   7.758   7.758
  261   1HB   TYR  42          2HB       TYR  42   2.998   6.014   6.014
  262   2HB   TYR  42          3HB       TYR  42   1.994   6.400   6.400
  263    HD1  TYR  42           HD1      TYR  42   2.871   5.845   5.845
  264    HD2  TYR  42           HD2      TYR  42   4.689   4.359   4.359
  265    HE1  TYR  42           HE1      TYR  42   4.018   4.011   4.011
  266    HE2  TYR  42           HE2      TYR  42   5.829   2.530   2.530
  267    HH   TYR  42           HH       TYR  42   6.569   2.337   2.337
  268    H    ASN  43           HN       ASN  43   3.043   9.780   9.780
  269    HA   ASN  43           HA       ASN  43   2.782   9.485   9.485
  270   1HB   ASN  43          2HB       ASN  43   4.820  11.200  11.200
  271   2HB   ASN  43          3HB       ASN  43   5.098  10.997  10.997
  272   1HD2  ASN  43          2HD2      ASN  43   1.261  12.251  12.251
  273   2HD2  ASN  43          1HD2      ASN  43   1.940  10.803  10.803
  274    H    ASN  44           HN       ASN  44   3.265   7.286   7.286
  275    HA   ASN  44           HA       ASN  44   5.599   5.988   5.988
  276   1HB   ASN  44          2HB       ASN  44   4.809   4.620   4.620
  277   2HB   ASN  44          3HB       ASN  44   3.357   5.233   5.233
  278   1HD2  ASN  44          2HD2      ASN  44   4.579   6.603   6.603
  279   2HD2  ASN  44          1HD2      ASN  44   5.678   5.860   5.860
  280    H    TYR  45           HN       TYR  45   7.109   5.475   5.475
  281    HA   TYR  45           HA       TYR  45   7.453   7.478   7.478
  282   1HB   TYR  45          2HB       TYR  45   8.829   7.620   7.620
  283   2HB   TYR  45          3HB       TYR  45   9.898   7.825   7.825
  284    HD1  TYR  45           HD1      TYR  45   6.882   9.023   9.023
  285    HD2  TYR  45           HD2      TYR  45   9.955  10.055  10.055
  286    HE1  TYR  45           HE1      TYR  45   6.212  11.470  11.470
  287    HE2  TYR  45           HE2      TYR  45   9.274  12.499  12.499
  288    HH   TYR  45           HH       TYR  45   6.587  13.564  13.564
  289    H    GLU  46           HN       GLU  46   9.035   4.983   4.983
  290    HA   GLU  46           HA       GLU  46  11.097   4.273   4.273
  291   1HB   GLU  46          2HB       GLU  46   9.171   2.425   2.425
  292   2HB   GLU  46          3HB       GLU  46  10.748   1.928   1.928
  293   1HG   GLU  46          2HG       GLU  46  10.100   3.337   3.337
  294   2HG   GLU  46          3HG       GLU  46  11.653   2.708   2.708
  295    H    GLY  47           HN       GLY  47   7.733   4.095   4.095
  296   1HA   GLY  47          1HA       GLY  47   7.326   3.870   3.870
  297   2HA   GLY  47          2HA       GLY  47   8.446   2.523   2.523
  298    H    PHE  48           HN       PHE  48   5.637   3.502   3.502
  299    HA   PHE  48           HA       PHE  48   4.725   0.731   0.731
  300   1HB   PHE  48          2HB       PHE  48   4.158   3.160   3.160
  301   2HB   PHE  48          3HB       PHE  48   3.220   1.686   1.686
  302    HD1  PHE  48           HD2      PHE  48   4.360  -0.431  -0.431
  303    HD2  PHE  48           HD1      PHE  48   6.316   3.332   3.332
  304    HE1  PHE  48           HE2      PHE  48   6.073  -1.380  -1.380
  305    HE2  PHE  48           HE1      PHE  48   8.029   2.384   2.384
  306    HZ   PHE  48           HZ       PHE  48   7.888   0.040   0.040
  307    H    ASP  49           HN       ASP  49   2.841   0.167   0.167
  308    HA   ASP  49           HA       ASP  49   1.471   2.342   2.342
  309   1HB   ASP  49          2HB       ASP  49   0.730  -0.550  -0.550
  310   2HB   ASP  49          3HB       ASP  49   0.747   0.758   0.758
  311    H    PHE  50           HN       PHE  50   0.740   2.684   2.684
  312    HA   PHE  50           HA       PHE  50  -1.062   0.932   0.932
  313   1HB   PHE  50          2HB       PHE  50  -0.707   3.986   3.986
  314   2HB   PHE  50          3HB       PHE  50  -1.783   3.168   3.168
  315    HD1  PHE  50           HD1      PHE  50   0.561   0.795   0.795
  316    HD2  PHE  50           HD2      PHE  50   0.248   4.814   4.814
  317    HE1  PHE  50           HE1      PHE  50   2.478   0.424   0.424
  318    HE2  PHE  50           HE2      PHE  50   2.164   4.442   4.442
  319    HZ   PHE  50           HZ       PHE  50   3.256   2.252   2.252
  320    H    SER  51           HN       SER  51  -2.889   0.158   0.158
  321    HA   SER  51           HA       SER  51  -4.209   1.503   1.503
  322   1HB   SER  51          2HB       SER  51  -5.977  -0.205  -0.205
  323   2HB   SER  51          3HB       SER  51  -4.380  -0.927  -0.927
  324    HG   SER  51           HG       SER  51  -5.355  -0.120  -0.120
  325    H    VAL  52           HN       VAL  52  -3.883   2.562   2.562
  326    HA   VAL  52           HA       VAL  52  -6.642   3.559   3.559
  327    HB   VAL  52           HB       VAL  52  -6.306   3.793   3.793
  328   1HG1  VAL  52          3HG1      VAL  52  -6.930   1.551   1.551
  329   2HG1  VAL  52          1HG1      VAL  52  -5.210   1.099   1.099
  330   3HG1  VAL  52          2HG1      VAL  52  -5.991   1.471   1.471
  331   1HG2  VAL  52          1HG2      VAL  52  -3.419   3.119   3.119
  332   2HG2  VAL  52          2HG2      VAL  52  -4.081   4.548   4.548
  333   3HG2  VAL  52          3HG2      VAL  52  -4.115   2.959   2.959
  334    H    SER  53           HN       SER  53  -6.922   5.832   5.832
  335    HA   SER  53           HA       SER  53  -4.900   7.408   7.408
  336   1HB   SER  53          2HB       SER  53  -7.678   7.998   7.998
  337   2HB   SER  53          3HB       SER  53  -6.625   9.284   9.284
  338    HG   SER  53           HG       SER  53  -8.154   8.363   8.363
  339    H    SER  54           HN       SER  54  -4.536   9.720   9.720
  340    HA   SER  54           HA       SER  54  -3.518   9.017   9.017
  341   1HB   SER  54          2HB       SER  54  -1.950  10.685  10.685
  342   2HB   SER  54          3HB       SER  54  -2.320  10.344  10.344
  343    HG   SER  54           HG       SER  54  -3.123  12.565  12.565
  344    HA   PRO  55           HA       PRO  55  -2.526  10.950  10.950
  345   1HB   PRO  55          2HB       PRO  55  -2.451  11.425  11.425
  346   2HB   PRO  55          3HB       PRO  55  -2.344  12.696  12.696
  347   1HG   PRO  55          2HG       PRO  55  -4.631  11.962  11.962
  348   2HG   PRO  55          3HG       PRO  55  -4.351  13.454  13.454
  349   1HD   PRO  55          2HD       PRO  55  -6.145  11.341  11.341
  350   2HD   PRO  55          3HD       PRO  55  -5.779  12.777  12.777
  351    H    TYR  56           HN       TYR  56  -1.027   9.443   9.443
  352    HA   TYR  56           HA       TYR  56  -2.482   6.988   6.988
  353   1HB   TYR  56          2HB       TYR  56   0.431   7.744   7.744
  354   2HB   TYR  56          3HB       TYR  56  -0.082   6.092   6.092
  355    HD1  TYR  56           HD1      TYR  56  -2.835   6.497   6.497
  356    HD2  TYR  56           HD2      TYR  56   1.228   7.319   7.319
  357    HE1  TYR  56           HE1      TYR  56  -3.422   6.267   6.267
  358    HE2  TYR  56           HE2      TYR  56   0.627   7.088   7.088
  359    HH   TYR  56           HH       TYR  56  -0.903   6.502   6.502
  360    H    TYR  57           HN       TYR  57  -2.424   5.998   5.998
  361    HA   TYR  57           HA       TYR  57  -0.717   7.289   7.289
  362   1HB   TYR  57          2HB       TYR  57  -3.351   5.702   5.702
  363   2HB   TYR  57          3HB       TYR  57  -2.562   6.501   6.501
  364    HD1  TYR  57           HD2      TYR  57  -1.874   8.881   8.881
  365    HD2  TYR  57           HD1      TYR  57  -5.377   7.038   7.038
  366    HE1  TYR  57           HE2      TYR  57  -3.212  10.992  10.992
  367    HE2  TYR  57           HE1      TYR  57  -6.703   9.155   9.155
  368    HH   TYR  57           HH       TYR  57  -5.477  11.990  11.990
  369    H    GLU  58           HN       GLU  58   0.965   6.061   6.061
  370    HA   GLU  58           HA       GLU  58   0.940   3.276   3.276
  371   1HB   GLU  58          2HB       GLU  58   3.264   3.320   3.320
  372   2HB   GLU  58          3HB       GLU  58   2.998   4.570   4.570
  373   1HG   GLU  58          2HG       GLU  58   4.185   5.613   5.613
  374   2HG   GLU  58          3HG       GLU  58   2.537   6.201   6.201
  375    H    TRP  59           HN       TRP  59   0.962   1.526   1.526
  376    HA   TRP  59           HA       TRP  59   0.924   2.026   2.026
  377   1HB   TRP  59          2HB       TRP  59  -1.309   2.730   2.730
  378   2HB   TRP  59          3HB       TRP  59  -1.662   1.420   1.420
  379    HD1  TRP  59           HD1      TRP  59  -2.519  -0.855  -0.855
  380    HE1  TRP  59           HE1      TRP  59  -3.091  -1.732  -1.732
  381    HE3  TRP  59           HE3      TRP  59  -0.429   3.060   3.060
  382    HZ2  TRP  59           HZ2      TRP  59  -2.616  -0.714  -0.714
  383    HZ3  TRP  59           HZ3      TRP  59  -0.526   3.041   3.041
  384    HH2  TRP  59           HH2      TRP  59  -1.572   1.240   1.240
  385    HA   PRO  60           HA       PRO  60   2.261  -2.091  -2.091
  386   1HB   PRO  60          2HB       PRO  60   2.237  -2.879  -2.879
  387   2HB   PRO  60          3HB       PRO  60   3.534  -1.935  -1.935
  388   1HG   PRO  60          2HG       PRO  60   1.376  -1.053  -1.053
  389   2HG   PRO  60          3HG       PRO  60   2.894  -0.259  -0.259
  390   1HD   PRO  60          2HD       PRO  60   0.300   0.442   0.442
  391   2HD   PRO  60          3HD       PRO  60   1.831   1.161   1.161
  392    H    ILE  61           HN       ILE  61   1.565  -4.144  -4.144
  393    HA   ILE  61           HA       ILE  61  -1.245  -4.525  -4.525
  394    HB   ILE  61           HB       ILE  61  -0.552  -4.254  -4.254
  395   1HG1  ILE  61          2HG1      ILE  61  -2.129  -6.737  -6.737
  396   2HG1  ILE  61          3HG1      ILE  61  -2.747  -5.110  -5.110
  397   1HG2  ILE  61          1HG2      ILE  61   1.412  -5.764  -5.764
  398   2HG2  ILE  61          2HG2      ILE  61   0.305  -7.135  -7.135
  399   3HG2  ILE  61          3HG2      ILE  61   0.255  -6.218  -6.218
  400   1HD1  ILE  61          1HD1      ILE  61  -1.581  -5.469  -5.469
  401   2HD1  ILE  61          2HD1      ILE  61  -2.882  -6.640  -6.640
  402   3HD1  ILE  61          3HD1      ILE  61  -3.202  -4.894  -4.894
  403    H    LEU  62           HN       LEU  62  -1.526  -5.943  -5.943
  404    HA   LEU  62           HA       LEU  62   0.610  -7.811  -7.811
  405   1HB   LEU  62          2HB       LEU  62  -1.951  -7.120  -7.120
  406   2HB   LEU  62          3HB       LEU  62  -0.781  -8.296  -8.296
  407    HG   LEU  62           HG       LEU  62  -0.119  -5.380  -5.380
  408   1HD1  LEU  62          1HD1      LEU  62  -1.894  -6.092  -6.092
  409   2HD1  LEU  62          2HD1      LEU  62  -0.405  -6.448  -6.448
  410   3HD1  LEU  62          3HD1      LEU  62  -0.687  -4.811  -4.811
  411   1HD2  LEU  62          1HD2      LEU  62   1.413  -7.753  -7.753
  412   2HD2  LEU  62          2HD2      LEU  62   1.952  -6.261  -6.261
  413   3HD2  LEU  62          3HD2      LEU  62   1.669  -6.269  -6.269
  414    H    SER  63           HN       SER  63   0.653  -9.867  -9.867
  415    HA   SER  63           HA       SER  63  -1.272 -10.809 -10.809
  416   1HB   SER  63          2HB       SER  63   0.011 -12.785 -12.785
  417   2HB   SER  63          3HB       SER  63   1.185 -11.571 -11.571
  418    HG   SER  63           HG       SER  63   1.208 -13.622 -13.622
  419    H    SER  64           HN       SER  64  -1.361 -10.487 -10.487
  420    HA   SER  64           HA       SER  64  -3.070 -12.761 -12.761
  421   1HB   SER  64          2HB       SER  64  -2.694 -10.646 -10.646
  422   2HB   SER  64          3HB       SER  64  -2.803 -12.385 -12.385
  423    HG   SER  64           HG       SER  64  -0.629 -12.275 -12.275
  424    H    GLY  65           HN       GLY  65  -3.337  -9.521  -9.521
  425   1HA   GLY  65          1HA       GLY  65  -5.179  -8.358  -8.358
  426   2HA   GLY  65          2HA       GLY  65  -6.201  -9.636  -9.636
  427    H    ASP  66           HN       ASP  66  -3.634  -7.825  -7.825
  428    HA   ASP  66           HA       ASP  66  -5.761  -6.916  -6.916
  429   1HB   ASP  66          2HB       ASP  66  -2.822  -7.558  -7.558
  430   2HB   ASP  66          3HB       ASP  66  -3.704  -6.571  -6.571
  431    H    VAL  67           HN       VAL  67  -4.465  -4.862  -4.862
  432    HA   VAL  67           HA       VAL  67  -3.806  -2.995  -2.995
  433    HB   VAL  67           HB       VAL  67  -5.135  -2.649  -2.649
  434   1HG1  VAL  67          3HG1      VAL  67  -3.989  -0.533  -0.533
  435   2HG1  VAL  67          1HG1      VAL  67  -5.229  -0.192  -0.192
  436   3HG1  VAL  67          2HG1      VAL  67  -3.631  -0.803  -0.803
  437   1HG2  VAL  67          1HG2      VAL  67  -5.998  -2.665  -2.665
  438   2HG2  VAL  67          2HG2      VAL  67  -6.906  -3.044  -3.044
  439   3HG2  VAL  67          3HG2      VAL  67  -6.670  -1.350  -1.350
  440    H    TYR  68           HN       TYR  68  -1.629  -2.794  -2.794
  441    HA   TYR  68           HA       TYR  68   0.282  -3.547  -3.547
  442   1HB   TYR  68          2HB       TYR  68   0.549  -2.679  -2.679
  443   2HB   TYR  68          3HB       TYR  68   0.096  -1.072  -1.072
  444    HD1  TYR  68           HD2      TYR  68   2.487  -3.558  -3.558
  445    HD2  TYR  68           HD1      TYR  68   1.952   0.305   0.305
  446    HE1  TYR  68           HE2      TYR  68   4.930  -3.010  -3.010
  447    HE2  TYR  68           HE1      TYR  68   4.396   0.840   0.840
  448    HH   TYR  68           HH       TYR  68   6.402  -1.337  -1.337
  449    H    SER  69           HN       SER  69   1.900  -2.091  -2.091
  450    HA   SER  69           HA       SER  69   0.303  -0.431  -0.431
  451   1HB   SER  69          2HB       SER  69   2.351  -0.598  -0.598
  452   2HB   SER  69          3HB       SER  69   1.534  -2.114  -2.114
  453    HG   SER  69           HG       SER  69   4.102  -1.619  -1.619
  454    H    GLY  70           HN       GLY  70   3.292  -0.437  -0.437
  455   1HA   GLY  70          1HA       GLY  70   3.463   1.756   1.756
  456   2HA   GLY  70          2HA       GLY  70   3.469   2.491   2.491
  457    H    GLY  71           HN       GLY  71   5.590   2.502   2.502
  458   1HA   GLY  71          1HA       GLY  71   7.876   2.753   2.753
  459   2HA   GLY  71          2HA       GLY  71   7.776   1.523   1.523
  460    H    SER  72           HN       SER  72   8.287  -0.593  -0.593
  461    HA   SER  72           HA       SER  72   8.798  -1.082  -1.082
  462   1HB   SER  72          2HB       SER  72  10.313  -2.921  -2.921
  463   2HB   SER  72          3HB       SER  72  10.815  -1.302  -1.302
  464    HG   SER  72           HG       SER  72   9.082  -2.477  -2.477
  465    HA   PRO  73           HA       PRO  73   5.285  -3.747  -3.747
  466   1HB   PRO  73          2HB       PRO  73   4.182  -3.573  -3.573
  467   2HB   PRO  73          3HB       PRO  73   3.764  -2.488  -2.488
  468   1HG   PRO  73          2HG       PRO  73   5.462  -1.971  -1.971
  469   2HG   PRO  73          3HG       PRO  73   4.695  -0.818  -0.818
  470   1HD   PRO  73          2HD       PRO  73   7.466  -1.556  -1.556
  471   2HD   PRO  73          3HD       PRO  73   6.676  -0.492  -0.492
  472    H    GLY  74           HN       GLY  74   7.705  -3.827  -3.827
  473   1HA   GLY  74          1HA       GLY  74   8.690  -6.221  -6.221
  474   2HA   GLY  74          2HA       GLY  74   7.146  -6.668  -6.668
  475    H    ALA  75           HN       ALA  75   6.891  -6.592  -6.592
  476    HA   ALA  75           HA       ALA  75   8.775  -4.931  -4.931
  477   1HB   ALA  75          3HB       ALA  75   8.228  -7.899  -7.899
  478   2HB   ALA  75          1HB       ALA  75   9.011  -6.878  -6.878
  479   3HB   ALA  75          2HB       ALA  75   9.787  -7.116  -7.116
  480    H    ASP  76           HN       ASP  76   5.803  -6.990  -6.990
  481    HA   ASP  76           HA       ASP  76   4.818  -6.065  -6.065
  482   1HB   ASP  76          2HB       ASP  76   3.009  -6.782  -6.782
  483   2HB   ASP  76          3HB       ASP  76   2.785  -7.136  -7.136
  484    H    ARG  77           HN       ARG  77   3.806  -4.104  -4.104
  485    HA   ARG  77           HA       ARG  77   2.641  -2.596  -2.596
  486   1HB   ARG  77          2HB       ARG  77   4.474  -1.216  -1.216
  487   2HB   ARG  77          3HB       ARG  77   3.827  -0.555  -0.555
  488   1HG   ARG  77          2HG       ARG  77   5.511  -3.036  -3.036
  489   2HG   ARG  77          3HG       ARG  77   6.343  -1.551  -1.551
  490   1HD   ARG  77          2HD       ARG  77   4.992  -0.507  -0.507
  491   2HD   ARG  77          3HD       ARG  77   4.737  -2.171  -2.171
  492    HE   ARG  77           HE       ARG  77   7.379  -0.794  -0.794
  493   1HH1  ARG  77           HH2      ARG  77   5.491  -3.617  -3.617
  494   2HH1  ARG  77           HH2      ARG  77   6.762  -4.319  -4.319
  495   1HH2  ARG  77           HH1      ARG  77   9.057  -1.720  -1.720
  496   2HH2  ARG  77           HH1      ARG  77   8.805  -3.233  -3.233
  497    H    VAL  78           HN       VAL  78   0.934  -1.157  -1.157
  498    HA   VAL  78           HA       VAL  78   0.213  -1.561  -1.561
  499    HB   VAL  78           HB       VAL  78  -2.120  -1.241  -1.241
  500   1HG1  VAL  78          3HG1      VAL  78  -0.374  -3.530  -3.530
  501   2HG1  VAL  78          1HG1      VAL  78  -1.861  -3.509  -3.509
  502   3HG1  VAL  78          2HG1      VAL  78  -1.965  -3.471  -3.471
  503   1HG2  VAL  78          1HG2      VAL  78  -1.337  -0.043  -0.043
  504   2HG2  VAL  78          2HG2      VAL  78  -2.731  -1.145  -1.145
  505   3HG2  VAL  78          3HG2      VAL  78  -1.128  -1.681  -1.681
  506    H    VAL  79           HN       VAL  79  -0.610   0.250   0.250
  507    HA   VAL  79           HA       VAL  79  -0.295   2.820   2.820
  508    HB   VAL  79           HB       VAL  79   0.817   2.048   2.048
  509   1HG1  VAL  79          3HG1      VAL  79  -0.214   4.439   4.439
  510   2HG1  VAL  79          1HG1      VAL  79   1.297   4.714   4.714
  511   3HG1  VAL  79          2HG1      VAL  79   1.356   4.255   4.255
  512   1HG2  VAL  79          2HG2      VAL  79   1.971   1.500   1.500
  513   2HG2  VAL  79          3HG2      VAL  79   2.902   1.969   1.969
  514   3HG2  VAL  79          1HG2      VAL  79   2.524   3.180   3.180
  515    H    PHE  80           HN       PHE  80  -2.542   3.093   3.093
  516    HA   PHE  80           HA       PHE  80  -4.067   2.925   2.925
  517   1HB   PHE  80          2HB       PHE  80  -5.990   2.975   2.975
  518   2HB   PHE  80          3HB       PHE  80  -4.834   1.779   1.779
  519    HD1  PHE  80           HD2      PHE  80  -3.096   2.606   2.606
  520    HD2  PHE  80           HD1      PHE  80  -6.751   4.592   4.592
  521    HE1  PHE  80           HE2      PHE  80  -2.996   3.736   3.736
  522    HE2  PHE  80           HE1      PHE  80  -6.650   5.721   5.721
  523    HZ   PHE  80           HZ       PHE  80  -4.774   5.280   5.280
  524    H    ASN  81           HN       ASN  81  -6.165   4.744   4.744
  525    HA   ASN  81           HA       ASN  81  -4.706   7.257   7.257
  526   1HB   ASN  81          2HB       ASN  81  -7.240   7.218   7.218
  527   2HB   ASN  81          3HB       ASN  81  -5.747   8.080   8.080
  528   1HD2  ASN  81          2HD2      ASN  81  -6.186   4.121   4.121
  529   2HD2  ASN  81          1HD2      ASN  81  -7.049   4.773   4.773
  530    H    GLU  82           HN       GLU  82  -7.148   8.871   8.871
  531    HA   GLU  82           HA       GLU  82  -8.227   8.289   8.289
  532   1HB   GLU  82          2HB       GLU  82  -7.410  10.640  10.640
  533   2HB   GLU  82          3HB       GLU  82  -9.140  10.723  10.723
  534   1HG   GLU  82          2HG       GLU  82  -9.062   9.879   9.879
  535   2HG   GLU  82          3HG       GLU  82  -7.615  10.864  10.864
  536    H    ASN  83           HN       ASN  83  -8.891   7.000   7.000
  537    HA   ASN  83           HA       ASN  83 -11.734   7.576   7.576
  538   1HB   ASN  83          2HB       ASN  83 -11.239   5.768   5.768
  539   2HB   ASN  83          3HB       ASN  83 -11.391   7.506   7.506
  540   1HD2  ASN  83          2HD2      ASN  83  -7.790   5.580   5.580
  541   2HD2  ASN  83          1HD2      ASN  83  -9.259   4.786   4.786
  542    H    ASN  84           HN       ASN  84  -9.255   5.206   5.206
  543    HA   ASN  84           HA       ASN  84  -9.727   3.535   3.535
  544   1HB   ASN  84          2HB       ASN  84 -11.820   2.423   2.423
  545   2HB   ASN  84          3HB       ASN  84 -12.294   4.043   4.043
  546   1HD2  ASN  84          2HD2      ASN  84 -12.294   2.705   2.705
  547   2HD2  ASN  84          1HD2      ASN  84 -11.141   3.647   3.647
  548    H    GLN  85           HN       GLN  85  -8.664   3.917   3.917
  549    HA   GLN  85           HA       GLN  85  -8.884   1.152   1.152
  550   1HB   GLN  85          2HB       GLN  85  -7.989   3.645   3.645
  551   2HB   GLN  85          3HB       GLN  85  -8.022   2.029   2.029
  552   1HG   GLN  85          2HG       GLN  85 -10.438   1.881   1.881
  553   2HG   GLN  85          3HG       GLN  85 -10.494   3.338   3.338
  554   1HE2  GLN  85          2HE2      GLN  85  -9.610   5.514   5.514
  555   2HE2  GLN  85          1HE2      GLN  85  -9.062   5.163   5.163
  556    H    LEU  86           HN       LEU  86  -7.143  -0.195  -0.195
  557    HA   LEU  86           HA       LEU  86  -4.677   1.018   1.018
  558   1HB   LEU  86          2HB       LEU  86  -5.949  -0.934  -0.934
  559   2HB   LEU  86          3HB       LEU  86  -5.283  -1.920  -1.920
  560    HG   LEU  86           HG       LEU  86  -3.278  -0.272  -0.272
  561   1HD1  LEU  86          2HD1      LEU  86  -5.210  -1.768  -1.768
  562   2HD1  LEU  86          3HD1      LEU  86  -3.560  -2.399  -2.399
  563   3HD1  LEU  86          1HD1      LEU  86  -3.904  -0.680  -0.680
  564   1HD2  LEU  86          1HD2      LEU  86  -2.992  -2.191  -2.191
  565   2HD2  LEU  86          2HD2      LEU  86  -1.899  -2.111  -2.111
  566   3HD2  LEU  86          3HD2      LEU  86  -3.256  -3.262  -3.262
  567    H    ALA  87           HN       ALA  87  -2.591   0.432   0.432
  568    HA   ALA  87           HA       ALA  87  -2.551  -0.915  -0.915
  569   1HB   ALA  87          1HB       ALA  87  -2.296   2.107   2.107
  570   2HB   ALA  87          2HB       ALA  87  -1.611   1.154   1.154
  571   3HB   ALA  87          3HB       ALA  87  -3.366   1.143   1.143
  572    H    GLY  88           HN       GLY  88  -1.017   1.166   1.166
  573   1HA   GLY  88          1HA       GLY  88   1.662   0.571   0.571
  574   2HA   GLY  88          2HA       GLY  88   1.100   1.268   1.268
  575    H    VAL  89           HN       VAL  89   0.433  -1.921  -1.921
  576    HA   VAL  89           HA       VAL  89   0.742  -3.249  -3.249
  577    HB   VAL  89           HB       VAL  89  -0.278  -3.835  -3.835
  578   1HG1  VAL  89          1HG1      VAL  89   1.156  -5.950  -5.950
  579   2HG1  VAL  89          2HG1      VAL  89  -0.122  -6.344  -6.344
  580   3HG1  VAL  89          3HG1      VAL  89   1.367  -5.536  -5.536
  581   1HG2  VAL  89          1HG2      VAL  89  -1.148  -3.890  -3.890
  582   2HG2  VAL  89          2HG2      VAL  89  -2.115  -3.956  -3.956
  583   3HG2  VAL  89          3HG2      VAL  89  -1.479  -5.457  -5.457
  584    H    ILE  90           HN       ILE  90   3.090  -1.787  -1.787
  585    HA   ILE  90           HA       ILE  90   4.897  -3.557  -3.557
  586    HB   ILE  90           HB       ILE  90   6.541  -1.936  -1.936
  587   1HG1  ILE  90          2HG1      ILE  90   5.448  -1.747  -1.747
  588   2HG1  ILE  90          3HG1      ILE  90   6.700  -0.703  -0.703
  589   1HG2  ILE  90          1HG2      ILE  90   4.665  -1.342  -1.342
  590   2HG2  ILE  90          2HG2      ILE  90   3.987  -0.343  -0.343
  591   3HG2  ILE  90          3HG2      ILE  90   5.601   0.023   0.023
  592   1HD1  ILE  90          2HD1      ILE  90   4.953   0.886   0.886
  593   2HD1  ILE  90          3HD1      ILE  90   3.697  -0.165  -0.165
  594   3HD1  ILE  90          1HD1      ILE  90   4.867   0.651   0.651
  595    H    THR  91           HN       THR  91   7.132  -3.944  -3.944
  596    HA   THR  91           HA       THR  91   6.727  -4.712  -4.712
  597    HB   THR  91           HB       THR  91   5.604  -6.661  -6.661
  598    HG1  THR  91           HG1      THR  91   7.857  -7.087  -7.087
  599   1HG2  THR  91          3HG2      THR  91   7.363  -6.743  -6.743
  600   2HG2  THR  91          1HG2      THR  91   6.075  -7.902  -7.902
  601   3HG2  THR  91          2HG2      THR  91   5.665  -6.210  -6.210
  602    H    HIS  92           HN       HIS  92   8.683  -5.438  -5.438
  603    HA   HIS  92           HA       HIS  92  10.952  -4.280  -4.280
  604   1HB   HIS  92          2HB       HIS  92  10.427  -5.612  -5.612
  605   2HB   HIS  92          3HB       HIS  92  12.066  -5.245  -5.245
  606    HD1  HIS  92           HD1      HIS  92  12.503  -3.391  -3.391
  607    HD2  HIS  92           HD2      HIS  92   9.098  -2.710  -2.710
  608    HE1  HIS  92           HE1      HIS  92  11.770  -0.995  -0.995
  609    HE2  HIS  92           HE2      HIS  92   9.706  -0.616  -0.616
  610    H    THR  93           HN       THR  93   9.409  -7.047  -7.047
  611    HA   THR  93           HA       THR  93  11.081  -9.167  -9.167
  612    HB   THR  93           HB       THR  93   9.106  -8.168  -8.168
  613    HG1  THR  93           HG1      THR  93   9.573 -10.591 -10.591
  614   1HG2  THR  93          1HG2      THR  93  11.131 -10.380 -10.380
  615   2HG2  THR  93          2HG2      THR  93   9.448 -10.680 -10.680
  616   3HG2  THR  93          3HG2      THR  93  10.359  -9.331  -9.331
  617    H    GLY  94           HN       GLY  94  13.278  -8.569  -8.569
  618   1HA   GLY  94          1HA       GLY  94  15.259  -7.762  -7.762
  619   2HA   GLY  94          2HA       GLY  94  14.936  -9.071  -9.071
  620    H    ALA  95           HN       ALA  95  13.155  -5.940  -5.940
  621    HA   ALA  95           HA       ALA  95  13.277  -5.537  -5.537
  622   1HB   ALA  95          1HB       ALA  95  11.675  -4.695  -4.695
  623   2HB   ALA  95          2HB       ALA  95  12.632  -3.231  -3.231
  624   3HB   ALA  95          3HB       ALA  95  11.682  -3.982  -3.982
  625    H    SER  96           HN       SER  96  15.624  -5.685  -5.685
  626    HA   SER  96           HA       SER  96  17.664  -4.915  -4.915
  627   1HB   SER  96          2HB       SER  96  16.118  -3.289  -3.289
  628   2HB   SER  96          3HB       SER  96  16.544  -2.107  -2.107
  629    HG   SER  96           HG       SER  96  18.310  -3.523  -3.523
  630    H    GLY  97           HN       GLY  97  16.267  -4.811  -4.811
  631   1HA   GLY  97          1HA       GLY  97  17.893  -4.471  -4.471
  632   2HA   GLY  97          2HA       GLY  97  18.072  -2.833  -2.833
  633    H    ASN  98           HN       ASN  98  16.788  -1.271  -1.271
  634    HA   ASN  98           HA       ASN  98  14.619  -2.219  -2.219
  635   1HB   ASN  98          2HB       ASN  98  16.124  -0.667  -0.667
  636   2HB   ASN  98          3HB       ASN  98  16.094   0.445   0.445
  637   1HD2  ASN  98          2HD2      ASN  98  12.458   0.085   0.085
  638   2HD2  ASN  98          1HD2      ASN  98  13.327  -1.286  -1.286
  639    H    ASN  99           HN       ASN  99  15.045  -1.401  -1.401
  640    HA   ASN  99           HA       ASN  99  13.240   0.622   0.622
  641   1HB   ASN  99          2HB       ASN  99  13.866   0.209   0.209
  642   2HB   ASN  99          3HB       ASN  99  14.892  -1.060  -1.060
  643   1HD2  ASN  99          2HD2      ASN  99  13.252  -3.301  -3.301
  644   2HD2  ASN  99          1HD2      ASN  99  14.707  -2.470  -2.470
  645    H    PHE 100           HN       PHE 100  11.055   0.252   0.252
  646    HA   PHE 100           HA       PHE 100   9.645  -1.978  -1.978
  647   1HB   PHE 100          2HB       PHE 100   8.985   0.895   0.895
  648   2HB   PHE 100          3HB       PHE 100   7.675  -0.261  -0.261
  649    HD1  PHE 100           HD2      PHE 100   8.146  -1.811  -1.811
  650    HD2  PHE 100           HD1      PHE 100   9.056   2.287   2.287
  651    HE1  PHE 100           HE2      PHE 100   8.035  -1.412  -1.412
  652    HE2  PHE 100           HE1      PHE 100   8.945   2.686   2.686
  653    HZ   PHE 100           HZ       PHE 100   8.437   0.831   0.831
  654    H    VAL 101           HN       VAL 101   7.856  -2.966  -2.966
  655    HA   VAL 101           HA       VAL 101   7.685  -2.399  -2.399
  656    HB   VAL 101           HB       VAL 101   8.431  -4.607  -4.607
  657   1HG1  VAL 101          3HG1      VAL 101   9.959  -2.629  -2.629
  658   2HG1  VAL 101          1HG1      VAL 101  10.619  -3.177  -3.177
  659   3HG1  VAL 101          2HG1      VAL 101  10.808  -4.190  -4.190
  660   1HG2  VAL 101          3HG2      VAL 101   9.022  -4.981  -4.981
  661   2HG2  VAL 101          1HG2      VAL 101   8.235  -6.088  -6.088
  662   3HG2  VAL 101          2HG2      VAL 101   9.995  -5.832  -5.832
  663    H    GLU 102           HN       GLU 102   5.604  -2.782  -2.782
  664    HA   GLU 102           HA       GLU 102   3.704  -3.498  -3.498
  665   1HB   GLU 102          2HB       GLU 102   2.553  -4.346  -4.346
  666   2HB   GLU 102          3HB       GLU 102   2.688  -2.663  -2.663
  667   1HG   GLU 102          2HG       GLU 102   4.562  -2.279  -2.279
  668   2HG   GLU 102          3HG       GLU 102   4.987  -3.977  -3.977
  669    H    CYS 103           HN       CYS 103   3.029  -5.360  -5.360
  670    HA   CYS 103           HA       CYS 103   4.470  -7.688  -7.688
  671   1HB   CYS 103          2HB       CYS 103   1.714  -7.080  -7.080
  672   2HB   CYS 103          3HB       CYS 103   2.353  -8.712  -8.712
  673    H    THR 104           HN       THR 104   2.328  -6.277  -6.277
  674    HA   THR 104           HA       THR 104   1.888  -7.074  -7.074
  675    HB   THR 104           HB       THR 104   2.340  -9.366  -9.366
  676    HG1  THR 104           HG1      THR 104   1.374 -10.640 -10.640
  677   1HG2  THR 104          2HG2      THR 104   4.226  -8.053  -8.053
  678   2HG2  THR 104          3HG2      THR 104   4.342  -9.828  -9.828
  679   3HG2  THR 104          1HG2      THR 104   4.570  -8.981  -8.981

  Start of MODEL   22
    1    H    ALA   1           HN       ALA   1  -8.697 -13.512 -13.512
    2    HA   ALA   1           HA       ALA   1  -7.051 -15.858 -15.858
    3   1HB   ALA   1          3HB       ALA   1  -8.051 -14.294 -14.294
    4   2HB   ALA   1          1HB       ALA   1  -6.520 -13.460 -13.460
    5   3HB   ALA   1          2HB       ALA   1  -6.512 -15.184 -15.184
    6    H    CYS   2           HN       CYS   2  -4.824 -13.975 -13.975
    7    HA   CYS   2           HA       CYS   2  -4.355 -12.876 -12.876
    8   1HB   CYS   2          2HB       CYS   2  -1.910 -13.471 -13.471
    9   2HB   CYS   2          3HB       CYS   2  -2.437 -13.964 -13.964
   10    H    ASP   3           HN       ASP   3  -5.617 -11.117 -11.117
   11    HA   ASP   3           HA       ASP   3  -4.643  -9.862  -9.862
   12   1HB   ASP   3          2HB       ASP   3  -5.560  -8.484  -8.484
   13   2HB   ASP   3          3HB       ASP   3  -5.510  -7.720  -7.720
   14    H    TYR   4           HN       TYR   4  -3.217  -9.997  -9.997
   15    HA   TYR   4           HA       TYR   4  -0.904  -8.512  -8.512
   16   1HB   TYR   4          2HB       TYR   4  -2.369  -8.204  -8.204
   17   2HB   TYR   4          3HB       TYR   4  -0.892  -7.360  -7.360
   18    HD1  TYR   4           HD2      TYR   4  -0.948  -5.688  -5.688
   19    HD2  TYR   4           HD1      TYR   4  -4.488  -7.329  -7.329
   20    HE1  TYR   4           HE2      TYR   4  -2.322  -3.784  -3.784
   21    HE2  TYR   4           HE1      TYR   4  -5.851  -5.421  -5.421
   22    HH   TYR   4           HH       TYR   4  -5.377  -3.834  -3.834
   23    H    THR   5           HN       THR   5   0.741  -9.962  -9.962
   24    HA   THR   5           HA       THR   5   0.912 -11.626 -11.626
   25    HB   THR   5           HB       THR   5   1.232 -12.323 -12.323
   26    HG1  THR   5           HG1      THR   5  -0.065 -14.166 -14.166
   27   1HG2  THR   5          3HG2      THR   5   2.984 -13.227 -13.227
   28   2HG2  THR   5          1HG2      THR   5   1.789 -14.525 -14.525
   29   3HG2  THR   5          2HG2      THR   5   2.769 -13.950 -13.950
   30    H    CYS   6           HN       CYS   6   2.461 -10.713 -10.713
   31    HA   CYS   6           HA       CYS   6   4.655  -9.389  -9.389
   32   1HB   CYS   6          2HB       CYS   6   3.779  -9.824  -9.824
   33   2HB   CYS   6          3HB       CYS   6   5.417  -9.296  -9.296
   34    H    GLY   7           HN       GLY   7   5.082 -11.608 -11.608
   35   1HA   GLY   7          1HA       GLY   7   6.818 -13.078 -13.078
   36   2HA   GLY   7          2HA       GLY   7   7.280 -12.888 -12.888
   37    H    SER   8           HN       SER   8   5.169 -13.587 -13.587
   38    HA   SER   8           HA       SER   8   4.047 -16.007 -16.007
   39   1HB   SER   8          2HB       SER   8   5.029 -17.504 -17.504
   40   2HB   SER   8          3HB       SER   8   6.354 -16.375 -16.375
   41    HG   SER   8           HG       SER   8   4.527 -16.645 -16.645
   42    H    ASN   9           HN       ASN   9   2.634 -13.700 -13.700
   43    HA   ASN   9           HA       ASN   9   1.284 -14.245 -14.245
   44   1HB   ASN   9          2HB       ASN   9   1.432 -11.544 -11.544
   45   2HB   ASN   9          3HB       ASN   9   0.725 -11.843 -11.843
   46   1HD2  ASN   9          2HD2      ASN   9   4.849 -12.052 -12.052
   47   2HD2  ASN   9          1HD2      ASN   9   3.763 -12.499 -12.499
   48    H    CYS  10           HN       CYS  10  -0.995 -12.592 -12.592
   49    HA   CYS  10           HA       CYS  10  -2.032 -12.828 -12.828
   50   1HB   CYS  10          2HB       CYS  10  -2.048 -15.235 -15.235
   51   2HB   CYS  10          3HB       CYS  10  -3.071 -14.893 -14.893
   52    H    TYR  11           HN       TYR  11  -2.225 -10.558 -10.558
   53    HA   TYR  11           HA       TYR  11  -4.174 -10.221 -10.221
   54   1HB   TYR  11          2HB       TYR  11  -2.860  -8.139  -8.139
   55   2HB   TYR  11          3HB       TYR  11  -3.404  -7.897  -7.897
   56    HD1  TYR  11           HD1      TYR  11  -2.146  -9.229  -9.229
   57    HD2  TYR  11           HD2      TYR  11  -0.607  -8.617  -8.617
   58    HE1  TYR  11           HE1      TYR  11   0.208  -9.700  -9.700
   59    HE2  TYR  11           HE2      TYR  11   1.743  -9.089  -9.089
   60    HH   TYR  11           HH       TYR  11   2.956  -8.989  -8.989
   61    H    SER  12           HN       SER  12  -5.434 -11.546 -11.546
   62    HA   SER  12           HA       SER  12  -6.435 -10.492 -10.492
   63   1HB   SER  12          2HB       SER  12  -8.575 -11.573 -11.573
   64   2HB   SER  12          3HB       SER  12  -7.297 -12.554 -12.554
   65    HG   SER  12           HG       SER  12  -8.091 -10.768 -10.768
   66    H    SER  13           HN       SER  13  -8.229  -9.048  -9.048
   67    HA   SER  13           HA       SER  13  -8.090  -6.572  -6.572
   68   1HB   SER  13          2HB       SER  13 -10.201  -6.132  -6.132
   69   2HB   SER  13          3HB       SER  13  -9.432  -7.430  -7.430
   70    HG   SER  13           HG       SER  13 -11.692  -7.867  -7.867
   71    H    SER  14           HN       SER  14  -9.566  -9.269  -9.269
   72    HA   SER  14           HA       SER  14 -11.163  -7.608  -7.608
   73   1HB   SER  14          2HB       SER  14 -11.850  -9.924  -9.924
   74   2HB   SER  14          3HB       SER  14 -10.440 -10.566 -10.566
   75    HG   SER  14           HG       SER  14 -12.582 -10.495 -10.495
   76    H    ASP  15           HN       ASP  15  -7.891  -8.895  -8.895
   77    HA   ASP  15           HA       ASP  15  -7.496  -8.633  -8.633
   78   1HB   ASP  15          2HB       ASP  15  -5.962  -9.567  -9.567
   79   2HB   ASP  15          3HB       ASP  15  -4.970  -8.770  -8.770
   80    H    VAL  16           HN       VAL  16  -7.294  -6.693  -6.693
   81    HA   VAL  16           HA       VAL  16  -5.359  -4.836  -4.836
   82    HB   VAL  16           HB       VAL  16  -7.283  -4.879  -4.879
   83   1HG1  VAL  16          2HG1      VAL  16  -6.605  -2.538  -2.538
   84   2HG1  VAL  16          3HG1      VAL  16  -5.091  -2.844  -2.844
   85   3HG1  VAL  16          1HG1      VAL  16  -6.640  -2.793  -2.793
   86   1HG2  VAL  16          1HG2      VAL  16  -4.608  -5.881  -5.881
   87   2HG2  VAL  16          2HG2      VAL  16  -5.675  -6.115  -6.115
   88   3HG2  VAL  16          3HG2      VAL  16  -4.606  -4.694  -4.694
   89    H    SER  17           HN       SER  17  -8.842  -4.328  -4.328
   90    HA   SER  17           HA       SER  17  -9.287  -2.001  -2.001
   91   1HB   SER  17          2HB       SER  17 -10.952  -3.653  -3.653
   92   2HB   SER  17          3HB       SER  17 -11.200  -4.309  -4.309
   93    HG   SER  17           HG       SER  17 -11.794  -1.658  -1.658
   94    H    THR  18           HN       THR  18  -9.172  -5.126  -5.126
   95    HA   THR  18           HA       THR  18  -9.908  -4.212  -4.212
   96    HB   THR  18           HB       THR  18  -8.202  -6.435  -6.435
   97    HG1  THR  18           HG1      THR  18 -10.533  -6.583  -6.583
   98   1HG2  THR  18          3HG2      THR  18  -8.388  -5.609  -5.609
   99   2HG2  THR  18          1HG2      THR  18  -8.174  -7.311  -7.311
  100   3HG2  THR  18          2HG2      THR  18  -6.939  -6.103  -6.103
  101    H    ALA  19           HN       ALA  19  -6.565  -4.312  -4.312
  102    HA   ALA  19           HA       ALA  19  -5.365  -3.135  -3.135
  103   1HB   ALA  19          2HB       ALA  19  -4.623  -4.152  -4.152
  104   2HB   ALA  19          3HB       ALA  19  -4.020  -2.478  -2.478
  105   3HB   ALA  19          1HB       ALA  19  -3.545  -3.640  -3.640
  106    H    GLN  20           HN       GLN  20  -6.825  -1.768  -1.768
  107    HA   GLN  20           HA       GLN  20  -6.001   0.819   0.819
  108   1HB   GLN  20          2HB       GLN  20  -8.737   0.144   0.144
  109   2HB   GLN  20          3HB       GLN  20  -7.631   1.404   1.404
  110   1HG   GLN  20          2HG       GLN  20  -6.014  -0.390  -0.390
  111   2HG   GLN  20          3HG       GLN  20  -7.209  -1.602  -1.602
  112   1HE2  GLN  20          2HE2      GLN  20  -8.157   1.104   1.104
  113   2HE2  GLN  20          1HE2      GLN  20  -7.321   1.596   1.596
  114    H    ALA  21           HN       ALA  21  -9.177  -0.678  -0.678
  115    HA   ALA  21           HA       ALA  21 -10.455   1.315   1.315
  116   1HB   ALA  21          3HB       ALA  21 -11.221  -1.016  -1.016
  117   2HB   ALA  21          1HB       ALA  21  -9.990  -1.444  -1.444
  118   3HB   ALA  21          2HB       ALA  21 -11.319  -0.343  -0.343
  119    H    ALA  22           HN       ALA  22  -7.453  -0.201  -0.201
  120    HA   ALA  22           HA       ALA  22  -7.551   1.338   1.338
  121   1HB   ALA  22          2HB       ALA  22  -6.615  -1.055  -1.055
  122   2HB   ALA  22          3HB       ALA  22  -5.197  -0.243  -0.243
  123   3HB   ALA  22          1HB       ALA  22  -5.657   0.076   0.076
  124    H    GLY  23           HN       GLY  23  -5.738   1.279   1.279
  125   1HA   GLY  23          1HA       GLY  23  -3.947   3.352   3.352
  126   2HA   GLY  23          2HA       GLY  23  -4.453   2.827   2.827
  127    H    TYR  24           HN       TYR  24  -7.250   3.356   3.356
  128    HA   TYR  24           HA       TYR  24  -7.208   6.163   6.163
  129   1HB   TYR  24          2HB       TYR  24  -8.556   4.178   4.178
  130   2HB   TYR  24          3HB       TYR  24  -9.573   4.225   4.225
  131    HD1  TYR  24           HD1      TYR  24  -8.583   7.526   7.526
  132    HD2  TYR  24           HD2      TYR  24 -11.178   4.526   4.526
  133    HE1  TYR  24           HE1      TYR  24 -10.012   9.329   9.329
  134    HE2  TYR  24           HE2      TYR  24 -12.599   6.339   6.339
  135    HH   TYR  24           HH       TYR  24 -12.546   9.433   9.433
  136    H    LYS  25           HN       LYS  25  -9.212   4.105   4.105
  137    HA   LYS  25           HA       LYS  25 -10.478   5.987   5.987
  138   1HB   LYS  25          2HB       LYS  25 -10.737   3.596   3.596
  139   2HB   LYS  25          3HB       LYS  25  -9.143   3.499   3.499
  140   1HG   LYS  25          2HG       LYS  25 -10.722   3.627   3.627
  141   2HG   LYS  25          3HG       LYS  25  -9.904   5.176   5.176
  142   1HD   LYS  25          2HD       LYS  25 -11.792   6.210   6.210
  143   2HD   LYS  25          3HD       LYS  25 -12.578   4.660   4.660
  144   1HE   LYS  25          2HE       LYS  25 -13.636   5.824   5.824
  145   2HE   LYS  25          3HE       LYS  25 -12.784   4.420   4.420
  146   1HZ   LYS  25          3HZ       LYS  25 -11.082   6.657   6.657
  147   2HZ   LYS  25          1HZ       LYS  25 -12.428   7.006   7.006
  148   3HZ   LYS  25          2HZ       LYS  25 -11.501   5.729   5.729
  149    H    LEU  26           HN       LEU  26  -7.170   4.787   4.787
  150    HA   LEU  26           HA       LEU  26  -6.776   6.737   6.737
  151   1HB   LEU  26          2HB       LEU  26  -5.522   4.685   4.685
  152   2HB   LEU  26          3HB       LEU  26  -4.837   5.100   5.100
  153    HG   LEU  26           HG       LEU  26  -3.845   7.168   7.168
  154   1HD1  LEU  26          1HD1      LEU  26  -5.243   6.707   6.707
  155   2HD1  LEU  26          2HD1      LEU  26  -4.141   5.350   5.350
  156   3HD1  LEU  26          3HD1      LEU  26  -3.511   7.013   7.013
  157   1HD2  LEU  26          3HD2      LEU  26  -2.928   4.496   4.496
  158   2HD2  LEU  26          1HD2      LEU  26  -2.003   6.016   6.016
  159   3HD2  LEU  26          2HD2      LEU  26  -2.230   5.095   5.095
  160    H    HIS  27           HN       HIS  27  -6.309   6.732   6.732
  161    HA   HIS  27           HA       HIS  27  -4.754   9.065   9.065
  162   1HB   HIS  27          2HB       HIS  27  -4.673   7.661   7.661
  163   2HB   HIS  27          3HB       HIS  27  -6.417   7.550   7.550
  164    HD1  HIS  27           HD1      HIS  27  -3.948  10.503  10.503
  165    HD2  HIS  27           HD2      HIS  27  -7.247   8.971   8.971
  166    HE1  HIS  27           HE1      HIS  27  -4.396  12.126  12.126
  167    HE2  HIS  27           HE2      HIS  27  -6.400  11.103  11.103
  168    H    GLU  28           HN       GLU  28  -8.306   8.461   8.461
  169    HA   GLU  28           HA       GLU  28  -8.993  11.072  11.072
  170   1HB   GLU  28          2HB       GLU  28 -11.039   9.721   9.721
  171   2HB   GLU  28          3HB       GLU  28 -11.061  10.162  10.162
  172   1HG   GLU  28          2HG       GLU  28  -9.659   8.112   8.112
  173   2HG   GLU  28          3HG       GLU  28  -9.777   7.654   7.654
  174    H    ASP  29           HN       ASP  29  -8.032   9.461   9.461
  175    HA   ASP  29           HA       ASP  29  -9.152  11.527  11.527
  176   1HB   ASP  29          2HB       ASP  29  -7.428   9.075   9.075
  177   2HB   ASP  29          3HB       ASP  29  -7.742  10.239  10.239
  178    H    GLY  30           HN       GLY  30  -6.254  10.836  10.836
  179   1HA   GLY  30          1HA       GLY  30  -4.400  12.086  12.086
  180   2HA   GLY  30          2HA       GLY  30  -5.019  13.293  13.293
  181    H    GLU  31           HN       GLU  31  -4.839   9.920   9.920
  182    HA   GLU  31           HA       GLU  31  -2.714  10.742  10.742
  183   1HB   GLU  31          2HB       GLU  31  -4.847   8.584   8.584
  184   2HB   GLU  31          3HB       GLU  31  -3.464   8.567   8.567
  185   1HG   GLU  31          2HG       GLU  31  -5.293  10.990  10.990
  186   2HG   GLU  31          3HG       GLU  31  -5.551   9.752   9.752
  187    H    THR  32           HN       THR  32  -1.349   8.610   8.610
  188    HA   THR  32           HA       THR  32  -0.595   7.214   7.214
  189    HB   THR  32           HB       THR  32   1.754   7.521   7.521
  190    HG1  THR  32           HG1      THR  32   0.503   8.956   8.956
  191   1HG2  THR  32          2HG2      THR  32   0.018  10.017  10.017
  192   2HG2  THR  32          3HG2      THR  32   1.772  10.132  10.132
  193   3HG2  THR  32          1HG2      THR  32   1.156   9.513   9.513
  194    H    VAL  33           HN       VAL  33   1.319   5.502   5.502
  195    HA   VAL  33           HA       VAL  33  -0.164   4.067   4.067
  196    HB   VAL  33           HB       VAL  33   0.348   1.963   1.963
  197   1HG1  VAL  33          1HG1      VAL  33  -1.784   3.700   3.700
  198   2HG1  VAL  33          2HG1      VAL  33  -1.346   3.361   3.361
  199   3HG1  VAL  33          3HG1      VAL  33  -1.733   2.020   2.020
  200   1HG2  VAL  33          2HG2      VAL  33   1.285   3.943   3.943
  201   2HG2  VAL  33          3HG2      VAL  33   2.059   2.442   2.442
  202   3HG2  VAL  33          1HG2      VAL  33   0.626   2.363   2.363
  203    H    GLY  34           HN       GLY  34   1.124   3.225   3.225
  204   1HA   GLY  34          1HA       GLY  34   3.428   4.065   4.065
  205   2HA   GLY  34          2HA       GLY  34   3.079   2.350   2.350
  206    H    SER  35           HN       SER  35   4.473   4.921   4.921
  207    HA   SER  35           HA       SER  35   6.786   3.585   3.585
  208   1HB   SER  35          2HB       SER  35   6.408   2.853   2.853
  209   2HB   SER  35          3HB       SER  35   5.680   1.833   1.833
  210    HG   SER  35           HG       SER  35   4.452   3.016   3.016
  211    H    ASN  36           HN       ASN  36   5.572   4.509   4.509
  212    HA   ASN  36           HA       ASN  36   6.884   7.056   7.056
  213   1HB   ASN  36          2HB       ASN  36   6.100   5.257   5.257
  214   2HB   ASN  36          3HB       ASN  36   6.162   6.974   6.974
  215   1HD2  ASN  36          2HD2      ASN  36   9.479   5.327   5.327
  216   2HD2  ASN  36          1HD2      ASN  36   7.842   5.021   5.021
  217    H    SER  37           HN       SER  37   5.494   8.461   8.461
  218    HA   SER  37           HA       SER  37   3.101   9.123   9.123
  219   1HB   SER  37          2HB       SER  37   3.131  11.159  11.159
  220   2HB   SER  37          3HB       SER  37   4.834  10.780  10.780
  221    HG   SER  37           HG       SER  37   4.326  11.416  11.416
  222    H    TYR  38           HN       TYR  38   3.177   6.511   6.511
  223    HA   TYR  38           HA       TYR  38   1.713   6.759   6.759
  224   1HB   TYR  38          2HB       TYR  38   2.339   4.471   4.471
  225   2HB   TYR  38          3HB       TYR  38   1.652   4.212   4.212
  226    HD1  TYR  38           HD2      TYR  38   4.236   6.782   6.782
  227    HD2  TYR  38           HD1      TYR  38   3.475   2.762   2.762
  228    HE1  TYR  38           HE2      TYR  38   6.573   6.641   6.641
  229    HE2  TYR  38           HE1      TYR  38   5.815   2.636   2.636
  230    HH   TYR  38           HH       TYR  38   7.636   3.707   3.707
  231    HA   PRO  39           HA       PRO  39   0.421   5.637   5.637
  232   1HB   PRO  39          2HB       PRO  39  -1.812   6.355   6.355
  233   2HB   PRO  39          3HB       PRO  39  -1.525   4.726   4.726
  234   1HG   PRO  39          2HG       PRO  39  -3.378   6.768   6.768
  235   2HG   PRO  39          3HG       PRO  39  -3.378   5.037   5.037
  236   1HD   PRO  39          2HD       PRO  39  -2.469   7.064   7.064
  237   2HD   PRO  39          3HD       PRO  39  -2.361   5.330   5.330
  238    H    HIS  40           HN       HIS  40   0.206   7.050   7.050
  239    HA   HIS  40           HA       HIS  40  -0.106   9.758   9.758
  240   1HB   HIS  40          2HB       HIS  40   2.095  10.647  10.647
  241   2HB   HIS  40          3HB       HIS  40   1.716   9.606   9.606
  242    HD1  HIS  40           HD1      HIS  40   3.645   9.421   9.421
  243    HD2  HIS  40           HD2      HIS  40   3.632   7.719   7.719
  244    HE1  HIS  40           HE1      HIS  40   5.711   7.928   7.928
  245    HE2  HIS  40           HE2      HIS  40   5.678   6.953   6.953
  246    H    LYS  41           HN       LYS  41   1.169  10.962  10.962
  247    HA   LYS  41           HA       LYS  41   0.493   9.824   9.824
  248   1HB   LYS  41          2HB       LYS  41   1.238  12.227  12.227
  249   2HB   LYS  41          3HB       LYS  41   2.864  11.671  11.671
  250   1HG   LYS  41          2HG       LYS  41   2.508  11.627  11.627
  251   2HG   LYS  41          3HG       LYS  41   0.952  10.839  10.839
  252   1HD   LYS  41          2HD       LYS  41   0.430  12.974  12.974
  253   2HD   LYS  41          3HD       LYS  41   0.031  13.128  13.128
  254   1HE   LYS  41          2HE       LYS  41   1.873  14.506  14.506
  255   2HE   LYS  41          3HE       LYS  41   2.838  13.842  13.842
  256   1HZ   LYS  41          2HZ       LYS  41   1.139  14.920  14.920
  257   2HZ   LYS  41          3HZ       LYS  41   0.643  15.762  15.762
  258   3HZ   LYS  41          1HZ       LYS  41   2.177  15.917  15.917
  259    H    TYR  42           HN       TYR  42   2.027   9.162   9.162
  260    HA   TYR  42           HA       TYR  42   4.381   7.742   7.742
  261   1HB   TYR  42          2HB       TYR  42   2.562   6.098   6.098
  262   2HB   TYR  42          3HB       TYR  42   1.804   6.557   6.557
  263    HD1  TYR  42           HD1      TYR  42   2.748   5.803   5.803
  264    HD2  TYR  42           HD2      TYR  42   4.418   4.539   4.539
  265    HE1  TYR  42           HE1      TYR  42   3.988   3.927   3.927
  266    HE2  TYR  42           HE2      TYR  42   5.653   2.666   2.666
  267    HH   TYR  42           HH       TYR  42   5.190   2.133   2.133
  268    H    ASN  43           HN       ASN  43   3.150   9.933   9.933
  269    HA   ASN  43           HA       ASN  43   3.124   9.828   9.828
  270   1HB   ASN  43          2HB       ASN  43   5.252  11.167  11.167
  271   2HB   ASN  43          3HB       ASN  43   5.640  11.028  11.028
  272   1HD2  ASN  43          2HD2      ASN  43   2.970  13.743  13.743
  273   2HD2  ASN  43          1HD2      ASN  43   3.940  12.711  12.711
  274    H    ASN  44           HN       ASN  44   3.377   7.500   7.500
  275    HA   ASN  44           HA       ASN  44   5.646   6.053   6.053
  276   1HB   ASN  44          2HB       ASN  44   4.715   4.648   4.648
  277   2HB   ASN  44          3HB       ASN  44   3.336   5.350   5.350
  278   1HD2  ASN  44          2HD2      ASN  44   4.383   6.506   6.506
  279   2HD2  ASN  44          1HD2      ASN  44   5.509   5.744   5.744
  280    H    TYR  45           HN       TYR  45   7.241   5.457   5.457
  281    HA   TYR  45           HA       TYR  45   7.553   7.307   7.307
  282   1HB   TYR  45          2HB       TYR  45   9.055   7.438   7.438
  283   2HB   TYR  45          3HB       TYR  45  10.044   7.600   7.600
  284    HD1  TYR  45           HD1      TYR  45   7.135   8.907   8.907
  285    HD2  TYR  45           HD2      TYR  45  10.131   9.815   9.815
  286    HE1  TYR  45           HE1      TYR  45   6.530  11.374  11.374
  287    HE2  TYR  45           HE2      TYR  45   9.517  12.277  12.277
  288    HH   TYR  45           HH       TYR  45   7.510  13.490  13.490
  289    H    GLU  46           HN       GLU  46   9.066   4.821   4.821
  290    HA   GLU  46           HA       GLU  46  11.041   3.915   3.915
  291   1HB   GLU  46          2HB       GLU  46   8.975   2.213   2.213
  292   2HB   GLU  46          3HB       GLU  46  10.537   1.624   1.624
  293   1HG   GLU  46          2HG       GLU  46  11.288   3.906   3.906
  294   2HG   GLU  46          3HG       GLU  46   9.871   3.432   3.432
  295    H    GLY  47           HN       GLY  47   7.657   3.907   3.907
  296   1HA   GLY  47          1HA       GLY  47   7.194   3.692   3.692
  297   2HA   GLY  47          2HA       GLY  47   8.307   2.340   2.340
  298    H    PHE  48           HN       PHE  48   5.510   3.320   3.320
  299    HA   PHE  48           HA       PHE  48   4.606   0.546   0.546
  300   1HB   PHE  48          2HB       PHE  48   3.955   3.002   3.002
  301   2HB   PHE  48          3HB       PHE  48   3.102   1.480   1.480
  302    HD1  PHE  48           HD2      PHE  48   4.347  -0.540  -0.540
  303    HD2  PHE  48           HD1      PHE  48   6.116   3.317   3.317
  304    HE1  PHE  48           HE2      PHE  48   6.112  -1.344  -1.344
  305    HE2  PHE  48           HE1      PHE  48   7.882   2.512   2.512
  306    HZ   PHE  48           HZ       PHE  48   7.860   0.192   0.192
  307    H    ASP  49           HN       ASP  49   2.649  -0.047  -0.047
  308    HA   ASP  49           HA       ASP  49   1.275   2.119   2.119
  309   1HB   ASP  49          2HB       ASP  49   0.652  -0.787  -0.787
  310   2HB   ASP  49          3HB       ASP  49   0.626   0.557   0.557
  311    H    PHE  50           HN       PHE  50   0.531   2.325   2.325
  312    HA   PHE  50           HA       PHE  50  -1.207   0.487   0.487
  313   1HB   PHE  50          2HB       PHE  50  -1.090   3.561   3.561
  314   2HB   PHE  50          3HB       PHE  50  -2.020   2.610   2.610
  315    HD1  PHE  50           HD1      PHE  50   0.341   0.398   0.398
  316    HD2  PHE  50           HD2      PHE  50   0.085   4.530   4.530
  317    HE1  PHE  50           HE1      PHE  50   2.362   0.190   0.190
  318    HE2  PHE  50           HE2      PHE  50   2.105   4.322   4.322
  319    HZ   PHE  50           HZ       PHE  50   3.219   2.155   2.155
  320    H    SER  51           HN       SER  51  -3.134  -0.279  -0.279
  321    HA   SER  51           HA       SER  51  -4.445   0.863   0.863
  322   1HB   SER  51          2HB       SER  51  -6.224  -0.777  -0.777
  323   2HB   SER  51          3HB       SER  51  -4.643  -1.520  -1.520
  324    HG   SER  51           HG       SER  51  -4.781  -1.317  -1.317
  325    H    VAL  52           HN       VAL  52  -4.106   2.149   2.149
  326    HA   VAL  52           HA       VAL  52  -6.815   3.282   3.282
  327    HB   VAL  52           HB       VAL  52  -6.497   3.698   3.698
  328   1HG1  VAL  52          2HG1      VAL  52  -7.340   1.485   1.485
  329   2HG1  VAL  52          3HG1      VAL  52  -5.674   0.858   0.858
  330   3HG1  VAL  52          1HG1      VAL  52  -6.383   1.397   1.397
  331   1HG2  VAL  52          1HG2      VAL  52  -3.669   2.821   2.821
  332   2HG2  VAL  52          2HG2      VAL  52  -4.262   4.246   4.246
  333   3HG2  VAL  52          3HG2      VAL  52  -4.373   2.629   2.629
  334    H    SER  53           HN       SER  53  -7.034   5.587   5.587
  335    HA   SER  53           HA       SER  53  -4.820   6.968   6.968
  336   1HB   SER  53          2HB       SER  53  -7.136   7.356   7.356
  337   2HB   SER  53          3HB       SER  53  -7.611   7.925   7.925
  338    HG   SER  53           HG       SER  53  -6.338   9.765   9.765
  339    H    SER  54           HN       SER  54  -4.371   9.304   9.304
  340    HA   SER  54           HA       SER  54  -3.562   8.883   8.883
  341   1HB   SER  54          2HB       SER  54  -2.230  10.762  10.762
  342   2HB   SER  54          3HB       SER  54  -2.452  10.278  10.278
  343    HG   SER  54           HG       SER  54  -4.389  11.798  11.798
  344    HA   PRO  55           HA       PRO  55  -2.845  10.849  10.849
  345   1HB   PRO  55          2HB       PRO  55  -2.938  11.286  11.286
  346   2HB   PRO  55          3HB       PRO  55  -2.902  12.581  12.581
  347   1HG   PRO  55          2HG       PRO  55  -5.182  11.602  11.602
  348   2HG   PRO  55          3HG       PRO  55  -5.009  13.127  13.127
  349   1HD   PRO  55          2HD       PRO  55  -6.554  10.862  10.862
  350   2HD   PRO  55          3HD       PRO  55  -6.288  12.342  12.342
  351    H    TYR  56           HN       TYR  56  -1.249   9.520   9.520
  352    HA   TYR  56           HA       TYR  56  -2.511   6.934   6.934
  353   1HB   TYR  56          2HB       TYR  56   0.272   7.922   7.922
  354   2HB   TYR  56          3HB       TYR  56  -0.013   6.251   6.251
  355    HD1  TYR  56           HD1      TYR  56  -2.961   6.482   6.482
  356    HD2  TYR  56           HD2      TYR  56   1.054   7.124   7.124
  357    HE1  TYR  56           HE1      TYR  56  -3.667   5.975   5.975
  358    HE2  TYR  56           HE2      TYR  56   0.334   6.614   6.614
  359    HH   TYR  56           HH       TYR  56  -1.315   5.588   5.588
  360    H    TYR  57           HN       TYR  57  -2.535   6.199   6.199
  361    HA   TYR  57           HA       TYR  57  -0.742   7.545   7.545
  362   1HB   TYR  57          2HB       TYR  57  -3.350   5.918   5.918
  363   2HB   TYR  57          3HB       TYR  57  -2.515   6.637   6.637
  364    HD1  TYR  57           HD2      TYR  57  -1.870   9.109   9.109
  365    HD2  TYR  57           HD1      TYR  57  -5.327   7.247   7.247
  366    HE1  TYR  57           HE2      TYR  57  -3.194  11.255  11.255
  367    HE2  TYR  57           HE1      TYR  57  -6.639   9.399   9.399
  368    HH   TYR  57           HH       TYR  57  -5.047  12.336  12.336
  369    H    GLU  58           HN       GLU  58   0.976   6.406   6.406
  370    HA   GLU  58           HA       GLU  58   1.135   3.638   3.638
  371   1HB   GLU  58          2HB       GLU  58   3.399   3.794   3.794
  372   2HB   GLU  58          3HB       GLU  58   3.113   5.106   5.106
  373   1HG   GLU  58          2HG       GLU  58   4.114   6.154   6.154
  374   2HG   GLU  58          3HG       GLU  58   2.409   6.529   6.529
  375    H    TRP  59           HN       TRP  59   1.016   1.862   1.862
  376    HA   TRP  59           HA       TRP  59   0.939   2.214   2.214
  377   1HB   TRP  59          2HB       TRP  59  -1.263   3.056   3.056
  378   2HB   TRP  59          3HB       TRP  59  -1.665   1.756   1.756
  379    HD1  TRP  59           HD1      TRP  59  -2.589  -0.493  -0.493
  380    HE1  TRP  59           HE1      TRP  59  -3.204  -1.336  -1.336
  381    HE3  TRP  59           HE3      TRP  59  -0.403   3.378   3.378
  382    HZ2  TRP  59           HZ2      TRP  59  -2.718  -0.310  -0.310
  383    HZ3  TRP  59           HZ3      TRP  59  -0.517   3.380   3.380
  384    HH2  TRP  59           HH2      TRP  59  -1.625   1.621   1.621
  385    HA   PRO  60           HA       PRO  60   2.130  -1.916  -1.916
  386   1HB   PRO  60          2HB       PRO  60   2.301  -2.778  -2.778
  387   2HB   PRO  60          3HB       PRO  60   3.571  -1.868  -1.868
  388   1HG   PRO  60          2HG       PRO  60   1.621  -0.953  -0.953
  389   2HG   PRO  60          3HG       PRO  60   3.133  -0.210  -0.210
  390   1HD   PRO  60          2HD       PRO  60   0.495   0.625   0.625
  391   2HD   PRO  60          3HD       PRO  60   2.010   1.294   1.294
  392    H    ILE  61           HN       ILE  61   1.478  -4.139  -4.139
  393    HA   ILE  61           HA       ILE  61  -1.344  -4.331  -4.331
  394    HB   ILE  61           HB       ILE  61  -0.915  -4.153  -4.153
  395   1HG1  ILE  61          2HG1      ILE  61  -2.209  -6.758  -6.758
  396   2HG1  ILE  61          3HG1      ILE  61  -2.938  -5.195  -5.195
  397   1HG2  ILE  61          1HG2      ILE  61   1.113  -5.937  -5.937
  398   2HG2  ILE  61          2HG2      ILE  61  -0.167  -6.987  -6.987
  399   3HG2  ILE  61          3HG2      ILE  61   0.390  -5.574  -5.574
  400   1HD1  ILE  61          3HD1      ILE  61  -1.987  -5.875  -5.875
  401   2HD1  ILE  61          1HD1      ILE  61  -3.556  -6.481  -6.481
  402   3HD1  ILE  61          2HD1      ILE  61  -3.252  -4.729  -4.729
  403    H    LEU  62           HN       LEU  62  -1.728  -5.834  -5.834
  404    HA   LEU  62           HA       LEU  62   0.434  -7.681  -7.681
  405   1HB   LEU  62          2HB       LEU  62  -2.060  -6.860  -6.860
  406   2HB   LEU  62          3HB       LEU  62  -0.975  -8.121  -8.121
  407    HG   LEU  62           HG       LEU  62   0.088  -5.366  -5.366
  408   1HD1  LEU  62          3HD1      LEU  62  -2.014  -5.500  -5.500
  409   2HD1  LEU  62          1HD1      LEU  62  -0.769  -6.016  -6.016
  410   3HD1  LEU  62          2HD1      LEU  62  -0.621  -4.444  -4.444
  411   1HD2  LEU  62          1HD2      LEU  62   1.544  -7.426  -7.426
  412   2HD2  LEU  62          2HD2      LEU  62   1.868  -5.958  -5.958
  413   3HD2  LEU  62          3HD2      LEU  62   0.969  -7.311  -7.311
  414    H    SER  63           HN       SER  63   0.426  -9.753  -9.753
  415    HA   SER  63           HA       SER  63  -1.680 -10.673 -10.673
  416   1HB   SER  63          2HB       SER  63   0.706 -12.083 -12.083
  417   2HB   SER  63          3HB       SER  63  -0.403 -12.894 -12.894
  418    HG   SER  63           HG       SER  63   1.215 -10.569 -10.569
  419    H    SER  64           HN       SER  64  -1.520 -10.266 -10.266
  420    HA   SER  64           HA       SER  64  -2.941 -12.698 -12.698
  421   1HB   SER  64          2HB       SER  64  -1.564 -10.543 -10.543
  422   2HB   SER  64          3HB       SER  64  -2.918 -11.328 -11.328
  423    HG   SER  64           HG       SER  64  -0.366 -12.293 -12.293
  424    H    GLY  65           HN       GLY  65  -3.557  -9.483  -9.483
  425   1HA   GLY  65          1HA       GLY  65  -5.585  -8.552  -8.552
  426   2HA   GLY  65          2HA       GLY  65  -6.400  -9.820  -9.820
  427    H    ASP  66           HN       ASP  66  -3.707  -7.757  -7.757
  428    HA   ASP  66           HA       ASP  66  -5.582  -6.802  -6.802
  429   1HB   ASP  66          2HB       ASP  66  -2.534  -6.980  -6.980
  430   2HB   ASP  66          3HB       ASP  66  -3.462  -6.250  -6.250
  431    H    VAL  67           HN       VAL  67  -4.097  -4.568  -4.568
  432    HA   VAL  67           HA       VAL  67  -3.920  -2.884  -2.884
  433    HB   VAL  67           HB       VAL  67  -5.220  -2.448  -2.448
  434   1HG1  VAL  67          2HG1      VAL  67  -4.110  -0.309  -0.309
  435   2HG1  VAL  67          3HG1      VAL  67  -5.386  -0.001  -0.001
  436   3HG1  VAL  67          1HG1      VAL  67  -3.779  -0.552  -0.552
  437   1HG2  VAL  67          3HG2      VAL  67  -6.024  -2.561  -2.561
  438   2HG2  VAL  67          1HG2      VAL  67  -6.963  -2.885  -2.885
  439   3HG2  VAL  67          2HG2      VAL  67  -6.736  -1.211  -1.211
  440    H    TYR  68           HN       TYR  68  -1.776  -2.561  -2.561
  441    HA   TYR  68           HA       TYR  68   0.293  -2.921  -2.921
  442   1HB   TYR  68          2HB       TYR  68   0.627  -2.357  -2.357
  443   2HB   TYR  68          3HB       TYR  68  -0.377  -0.927  -0.927
  444    HD1  TYR  68           HD1      TYR  68   2.805  -2.273  -2.273
  445    HD2  TYR  68           HD2      TYR  68   0.688   1.133   1.133
  446    HE1  TYR  68           HE1      TYR  68   4.879  -0.836  -0.836
  447    HE2  TYR  68           HE2      TYR  68   2.769   2.558   2.558
  448    HH   TYR  68           HH       TYR  68   5.215   2.176   2.176
  449    H    SER  69           HN       SER  69   0.372  -2.272  -2.272
  450    HA   SER  69           HA       SER  69  -0.409   0.456   0.456
  451   1HB   SER  69          2HB       SER  69  -0.144  -0.300  -0.300
  452   2HB   SER  69          3HB       SER  69  -1.385  -1.138  -1.138
  453    HG   SER  69           HG       SER  69  -0.297  -2.807  -2.807
  454    H    GLY  70           HN       GLY  70   2.334  -1.857  -1.857
  455   1HA   GLY  70          1HA       GLY  70   4.090   0.133   0.133
  456   2HA   GLY  70          2HA       GLY  70   4.501  -1.492  -1.492
  457    H    GLY  71           HN       GLY  71   6.414  -0.866  -0.866
  458   1HA   GLY  71          1HA       GLY  71   5.879   0.495   0.495
  459   2HA   GLY  71          2HA       GLY  71   7.218   0.990   0.990
  460    H    SER  72           HN       SER  72   6.051  -2.392  -2.392
  461    HA   SER  72           HA       SER  72   8.423  -2.942  -2.942
  462   1HB   SER  72          2HB       SER  72   8.573  -5.137  -5.137
  463   2HB   SER  72          3HB       SER  72   9.197  -3.658  -3.658
  464    HG   SER  72           HG       SER  72   6.551  -4.737  -4.737
  465    HA   PRO  73           HA       PRO  73   4.544  -4.901  -4.901
  466   1HB   PRO  73          2HB       PRO  73   4.230  -3.521  -3.521
  467   2HB   PRO  73          3HB       PRO  73   3.396  -3.097  -3.097
  468   1HG   PRO  73          2HG       PRO  73   5.700  -1.756  -1.756
  469   2HG   PRO  73          3HG       PRO  73   4.601  -1.132  -1.132
  470   1HD   PRO  73          2HD       PRO  73   7.281  -2.060  -2.060
  471   2HD   PRO  73          3HD       PRO  73   6.143  -1.544  -1.544
  472    H    GLY  74           HN       GLY  74   7.121  -5.905  -5.905
  473   1HA   GLY  74          1HA       GLY  74   8.414  -7.377  -7.377
  474   2HA   GLY  74          2HA       GLY  74   7.010  -7.742  -7.742
  475    H    ALA  75           HN       ALA  75   6.733  -6.755  -6.755
  476    HA   ALA  75           HA       ALA  75   8.654  -4.786  -4.786
  477   1HB   ALA  75          1HB       ALA  75   8.784  -7.681  -7.681
  478   2HB   ALA  75          2HB       ALA  75   9.180  -6.427  -6.427
  479   3HB   ALA  75          3HB       ALA  75  10.105  -6.531  -6.531
  480    H    ASP  76           HN       ASP  76   5.832  -6.888  -6.888
  481    HA   ASP  76           HA       ASP  76   5.044  -5.933  -5.933
  482   1HB   ASP  76          2HB       ASP  76   2.985  -6.638  -6.638
  483   2HB   ASP  76          3HB       ASP  76   3.043  -7.098  -7.098
  484    H    ARG  77           HN       ARG  77   3.943  -4.020  -4.020
  485    HA   ARG  77           HA       ARG  77   2.714  -2.512  -2.512
  486   1HB   ARG  77          2HB       ARG  77   4.583  -1.147  -1.147
  487   2HB   ARG  77          3HB       ARG  77   3.858  -0.443  -0.443
  488   1HG   ARG  77          2HG       ARG  77   5.622  -2.873  -2.873
  489   2HG   ARG  77          3HG       ARG  77   6.387  -1.330  -1.330
  490   1HD   ARG  77          2HD       ARG  77   4.726  -0.490  -0.490
  491   2HD   ARG  77          3HD       ARG  77   4.768  -2.182  -2.182
  492    HE   ARG  77           HE       ARG  77   7.046  -0.289  -0.289
  493   1HH1  ARG  77           HH2      ARG  77   5.938  -3.613  -3.613
  494   2HH1  ARG  77           HH2      ARG  77   7.346  -4.130  -4.130
  495   1HH2  ARG  77           HH1      ARG  77   8.904  -0.971  -0.971
  496   2HH2  ARG  77           HH1      ARG  77   9.044  -2.616  -2.616
  497    H    VAL  78           HN       VAL  78   0.925  -1.236  -1.236
  498    HA   VAL  78           HA       VAL  78   0.316  -1.587  -1.587
  499    HB   VAL  78           HB       VAL  78  -2.077  -1.327  -1.327
  500   1HG1  VAL  78          2HG1      VAL  78  -0.308  -3.612  -3.612
  501   2HG1  VAL  78          3HG1      VAL  78  -1.574  -3.830  -3.830
  502   3HG1  VAL  78          1HG1      VAL  78  -2.024  -3.504  -3.504
  503   1HG2  VAL  78          2HG2      VAL  78  -1.584  -0.431  -0.431
  504   2HG2  VAL  78          3HG2      VAL  78  -2.519  -1.941  -1.941
  505   3HG2  VAL  78          1HG2      VAL  78  -0.769  -1.951  -1.951
  506    H    VAL  79           HN       VAL  79  -0.712   0.203   0.203
  507    HA   VAL  79           HA       VAL  79  -0.489   2.745   2.745
  508    HB   VAL  79           HB       VAL  79   0.539   2.111   2.111
  509   1HG1  VAL  79          2HG1      VAL  79  -0.618   4.411   4.411
  510   2HG1  VAL  79          3HG1      VAL  79   0.868   4.775   4.775
  511   3HG1  VAL  79          1HG1      VAL  79   0.962   4.365   4.365
  512   1HG2  VAL  79          3HG2      VAL  79   1.834   1.578   1.578
  513   2HG2  VAL  79          1HG2      VAL  79   2.668   2.157   2.157
  514   3HG2  VAL  79          2HG2      VAL  79   2.262   3.299   3.299
  515    H    PHE  80           HN       PHE  80  -2.460   3.678   3.678
  516    HA   PHE  80           HA       PHE  80  -4.200   3.210   3.210
  517   1HB   PHE  80          2HB       PHE  80  -6.058   3.220   3.220
  518   2HB   PHE  80          3HB       PHE  80  -4.866   2.044   2.044
  519    HD1  PHE  80           HD2      PHE  80  -3.064   2.933   2.933
  520    HD2  PHE  80           HD1      PHE  80  -6.814   4.798   4.798
  521    HE1  PHE  80           HE2      PHE  80  -2.907   4.069   4.069
  522    HE2  PHE  80           HE1      PHE  80  -6.658   5.933   5.933
  523    HZ   PHE  80           HZ       PHE  80  -4.706   5.556   5.556
  524    H    ASN  81           HN       ASN  81  -6.258   5.017   5.017
  525    HA   ASN  81           HA       ASN  81  -4.814   7.533   7.533
  526   1HB   ASN  81          2HB       ASN  81  -7.405   7.408   7.408
  527   2HB   ASN  81          3HB       ASN  81  -6.004   8.421   8.421
  528   1HD2  ASN  81          2HD2      ASN  81  -6.229   4.568   4.568
  529   2HD2  ASN  81          1HD2      ASN  81  -7.209   5.102   5.102
  530    H    GLU  82           HN       GLU  82  -7.181   9.195   9.195
  531    HA   GLU  82           HA       GLU  82  -8.205   8.532   8.532
  532   1HB   GLU  82          2HB       GLU  82  -7.350  10.887  10.887
  533   2HB   GLU  82          3HB       GLU  82  -9.027  11.024  11.024
  534   1HG   GLU  82          2HG       GLU  82  -9.800  10.729  10.729
  535   2HG   GLU  82          3HG       GLU  82  -8.184  10.326  10.326
  536    H    ASN  83           HN       ASN  83  -8.979   7.475   7.475
  537    HA   ASN  83           HA       ASN  83 -11.809   8.027   8.027
  538   1HB   ASN  83          2HB       ASN  83 -11.376   6.271   6.271
  539   2HB   ASN  83          3HB       ASN  83 -11.557   8.010   8.010
  540   1HD2  ASN  83          2HD2      ASN  83  -7.953   6.147   6.147
  541   2HD2  ASN  83          1HD2      ASN  83  -9.402   5.319   5.319
  542    H    ASN  84           HN       ASN  84  -9.344   5.588   5.588
  543    HA   ASN  84           HA       ASN  84  -9.824   3.886   3.886
  544   1HB   ASN  84          2HB       ASN  84 -11.919   2.753   2.753
  545   2HB   ASN  84          3HB       ASN  84 -12.381   4.405   4.405
  546   1HD2  ASN  84          2HD2      ASN  84 -12.408   3.269   3.269
  547   2HD2  ASN  84          1HD2      ASN  84 -11.225   4.128   4.128
  548    H    GLN  85           HN       GLN  85  -8.782   4.359   4.359
  549    HA   GLN  85           HA       GLN  85  -9.014   1.626   1.626
  550   1HB   GLN  85          2HB       GLN  85  -8.109   4.165   4.165
  551   2HB   GLN  85          3HB       GLN  85  -8.136   2.575   2.575
  552   1HG   GLN  85          2HG       GLN  85 -10.561   2.414   2.414
  553   2HG   GLN  85          3HG       GLN  85 -10.608   3.869   3.869
  554   1HE2  GLN  85          2HE2      GLN  85  -9.793   6.080   6.080
  555   2HE2  GLN  85          1HE2      GLN  85  -9.292   5.743   5.743
  556    H    LEU  86           HN       LEU  86  -7.367   0.295   0.295
  557    HA   LEU  86           HA       LEU  86  -4.779   1.532   1.532
  558   1HB   LEU  86          2HB       LEU  86  -5.665   0.278   0.278
  559   2HB   LEU  86          3HB       LEU  86  -6.034  -1.092  -1.092
  560    HG   LEU  86           HG       LEU  86  -3.233  -0.115  -0.115
  561   1HD1  LEU  86          1HD1      LEU  86  -5.068  -1.882  -1.882
  562   2HD1  LEU  86          2HD1      LEU  86  -3.454  -2.571  -2.571
  563   3HD1  LEU  86          3HD1      LEU  86  -3.614  -1.012  -1.012
  564   1HD2  LEU  86          1HD2      LEU  86  -4.267  -1.950  -1.950
  565   2HD2  LEU  86          2HD2      LEU  86  -2.601  -1.383  -1.383
  566   3HD2  LEU  86          3HD2      LEU  86  -3.208  -2.802  -2.802
  567    H    ALA  87           HN       ALA  87  -2.822   0.660   0.660
  568    HA   ALA  87           HA       ALA  87  -3.044  -1.328  -1.328
  569   1HB   ALA  87          3HB       ALA  87  -2.510   1.590   1.590
  570   2HB   ALA  87          1HB       ALA  87  -2.135   0.237   0.237
  571   3HB   ALA  87          2HB       ALA  87  -3.821   0.558   0.558
  572    H    GLY  88           HN       GLY  88  -1.180   1.245   1.245
  573   1HA   GLY  88          1HA       GLY  88   1.392   0.521   0.521
  574   2HA   GLY  88          2HA       GLY  88   0.905   1.241   1.241
  575    H    VAL  89           HN       VAL  89   0.405  -2.000  -2.000
  576    HA   VAL  89           HA       VAL  89   0.766  -3.284  -3.284
  577    HB   VAL  89           HB       VAL  89  -0.181  -3.978  -3.978
  578   1HG1  VAL  89          3HG1      VAL  89   1.281  -5.966  -5.966
  579   2HG1  VAL  89          1HG1      VAL  89   0.040  -6.462  -6.462
  580   3HG1  VAL  89          2HG1      VAL  89   1.510  -5.628  -5.628
  581   1HG2  VAL  89          3HG2      VAL  89  -1.118  -3.999  -3.999
  582   2HG2  VAL  89          1HG2      VAL  89  -2.044  -4.052  -4.052
  583   3HG2  VAL  89          2HG2      VAL  89  -1.425  -5.559  -5.559
  584    H    ILE  90           HN       ILE  90   3.035  -1.723  -1.723
  585    HA   ILE  90           HA       ILE  90   4.940  -3.391  -3.391
  586    HB   ILE  90           HB       ILE  90   6.474  -1.675  -1.675
  587   1HG1  ILE  90          2HG1      ILE  90   5.461  -1.575  -1.575
  588   2HG1  ILE  90          3HG1      ILE  90   6.629  -0.453  -0.453
  589   1HG2  ILE  90          3HG2      ILE  90   4.502  -1.165  -1.165
  590   2HG2  ILE  90          1HG2      ILE  90   3.845  -0.197  -0.197
  591   3HG2  ILE  90          2HG2      ILE  90   5.412   0.233   0.233
  592   1HD1  ILE  90          2HD1      ILE  90   4.760   1.040   1.040
  593   2HD1  ILE  90          3HD1      ILE  90   3.597  -0.087  -0.087
  594   3HD1  ILE  90          1HD1      ILE  90   4.763   0.788   0.788
  595    H    THR  91           HN       THR  91   7.170  -3.709  -3.709
  596    HA   THR  91           HA       THR  91   6.857  -4.410  -4.410
  597    HB   THR  91           HB       THR  91   5.720  -6.383  -6.383
  598    HG1  THR  91           HG1      THR  91   7.511  -7.454  -7.454
  599   1HG2  THR  91          3HG2      THR  91   5.733  -5.967  -5.967
  600   2HG2  THR  91          1HG2      THR  91   7.392  -6.610  -6.610
  601   3HG2  THR  91          2HG2      THR  91   6.041  -7.666  -7.666
  602    H    HIS  92           HN       HIS  92   8.848  -5.089  -5.089
  603    HA   HIS  92           HA       HIS  92  11.068  -3.970  -3.970
  604   1HB   HIS  92          2HB       HIS  92  10.731  -5.311  -5.311
  605   2HB   HIS  92          3HB       HIS  92  12.287  -4.756  -4.756
  606    HD1  HIS  92           HD1      HIS  92  12.783  -2.686  -2.686
  607    HD2  HIS  92           HD2      HIS  92   8.831  -2.760  -2.760
  608    HE1  HIS  92           HE1      HIS  92  11.755  -0.441  -0.441
  609    HE2  HIS  92           HE2      HIS  92   9.344  -0.523  -0.523
  610    H    THR  93           HN       THR  93   9.551  -6.640  -6.640
  611    HA   THR  93           HA       THR  93  11.246  -8.792  -8.792
  612    HB   THR  93           HB       THR  93   9.140  -7.868  -7.868
  613    HG1  THR  93           HG1      THR  93   9.030  -9.076  -9.076
  614   1HG2  THR  93          1HG2      THR  93  11.233  -9.958  -9.958
  615   2HG2  THR  93          2HG2      THR  93   9.542 -10.440 -10.440
  616   3HG2  THR  93          3HG2      THR  93  10.222  -9.048  -9.048
  617    H    GLY  94           HN       GLY  94  13.436  -8.190  -8.190
  618   1HA   GLY  94          1HA       GLY  94  15.366  -7.395  -7.395
  619   2HA   GLY  94          2HA       GLY  94  14.976  -8.697  -8.697
  620    H    ALA  95           HN       ALA  95  13.293  -5.521  -5.521
  621    HA   ALA  95           HA       ALA  95  13.018  -5.092  -5.092
  622   1HB   ALA  95          3HB       ALA  95  12.677  -3.519  -3.519
  623   2HB   ALA  95          1HB       ALA  95  12.728  -2.618  -2.618
  624   3HB   ALA  95          2HB       ALA  95  11.501  -3.884  -3.884
  625    H    SER  96           HN       SER  96  15.811  -5.044  -5.044
  626    HA   SER  96           HA       SER  96  17.867  -4.758  -4.758
  627   1HB   SER  96          2HB       SER  96  16.735  -4.088  -4.088
  628   2HB   SER  96          3HB       SER  96  16.869  -2.433  -2.433
  629    HG   SER  96           HG       SER  96  19.104  -4.266  -4.266
  630    H    GLY  97           HN       GLY  97  16.891  -3.873  -3.873
  631   1HA   GLY  97          1HA       GLY  97  18.301  -2.435  -2.435
  632   2HA   GLY  97          2HA       GLY  97  18.028  -1.150  -1.150
  633    H    ASN  98           HN       ASN  98  16.738   0.366   0.366
  634    HA   ASN  98           HA       ASN  98  14.633  -0.591  -0.591
  635   1HB   ASN  98          2HB       ASN  98  15.999   1.257   1.257
  636   2HB   ASN  98          3HB       ASN  98  15.751   2.194   2.194
  637   1HD2  ASN  98          2HD2      ASN  98  12.302   1.517   1.517
  638   2HD2  ASN  98          1HD2      ASN  98  13.357   0.232   0.232
  639    H    ASN  99           HN       ASN  99  14.992  -0.279  -0.279
  640    HA   ASN  99           HA       ASN  99  12.979   1.496   1.496
  641   1HB   ASN  99          2HB       ASN  99  13.067  -0.299  -0.299
  642   2HB   ASN  99          3HB       ASN  99  14.219   1.006   1.006
  643   1HD2  ASN  99          2HD2      ASN  99  15.368  -2.622  -2.622
  644   2HD2  ASN  99          1HD2      ASN  99  13.812  -1.924  -1.924
  645    H    PHE 100           HN       PHE 100  10.889   0.731   0.731
  646    HA   PHE 100           HA       PHE 100   9.805  -1.610  -1.610
  647   1HB   PHE 100          2HB       PHE 100   8.746   1.132   1.132
  648   2HB   PHE 100          3HB       PHE 100   7.606  -0.187  -0.187
  649    HD1  PHE 100           HD2      PHE 100   8.169  -1.598  -1.598
  650    HD2  PHE 100           HD1      PHE 100   8.832   2.537   2.537
  651    HE1  PHE 100           HE2      PHE 100   8.060  -1.174  -1.174
  652    HE2  PHE 100           HE1      PHE 100   8.722   2.962   2.962
  653    HZ   PHE 100           HZ       PHE 100   8.338   1.102   1.102
  654    H    VAL 101           HN       VAL 101   7.863  -2.607  -2.607
  655    HA   VAL 101           HA       VAL 101   7.786  -2.206  -2.206
  656    HB   VAL 101           HB       VAL 101   8.563  -4.449  -4.449
  657   1HG1  VAL 101          2HG1      VAL 101  10.063  -2.414  -2.414
  658   2HG1  VAL 101          3HG1      VAL 101  10.741  -2.979  -2.979
  659   3HG1  VAL 101          1HG1      VAL 101  10.905  -3.980  -3.980
  660   1HG2  VAL 101          1HG2      VAL 101   8.173  -5.552  -5.552
  661   2HG2  VAL 101          2HG2      VAL 101   9.818  -5.837  -5.837
  662   3HG2  VAL 101          3HG2      VAL 101   9.550  -4.655  -4.655
  663    H    GLU 102           HN       GLU 102   5.711  -2.588  -2.588
  664    HA   GLU 102           HA       GLU 102   3.840  -3.387  -3.387
  665   1HB   GLU 102          2HB       GLU 102   2.518  -3.913  -3.913
  666   2HB   GLU 102          3HB       GLU 102   2.858  -2.275  -2.275
  667   1HG   GLU 102          2HG       GLU 102   4.688  -2.034  -2.034
  668   2HG   GLU 102          3HG       GLU 102   4.870  -3.765  -3.765
  669    H    CYS 103           HN       CYS 103   3.241  -5.342  -5.342
  670    HA   CYS 103           HA       CYS 103   4.623  -7.635  -7.635
  671   1HB   CYS 103          2HB       CYS 103   1.770  -7.295  -7.295
  672   2HB   CYS 103          3HB       CYS 103   2.651  -8.808  -8.808
  673    H    THR 104           HN       THR 104   3.273  -9.795  -9.795
  674    HA   THR 104           HA       THR 104   2.352  -9.145  -9.145
  675    HB   THR 104           HB       THR 104   3.227 -11.425 -11.425
  676    HG1  THR 104           HG1      THR 104   4.406 -12.427 -12.427
  677   1HG2  THR 104          1HG2      THR 104   5.072  -9.503  -9.503
  678   2HG2  THR 104          2HG2      THR 104   5.688 -11.056 -11.056
  679   3HG2  THR 104          3HG2      THR 104   5.011  -9.858  -9.858

  Start of MODEL   23
    1    H    ALA   1           HN       ALA   1 -10.288 -14.117 -14.117
    2    HA   ALA   1           HA       ALA   1  -8.253 -15.639 -15.639
    3   1HB   ALA   1          3HB       ALA   1 -10.385 -14.123 -14.123
    4   2HB   ALA   1          1HB       ALA   1  -8.968 -13.298 -13.298
    5   3HB   ALA   1          2HB       ALA   1  -9.231 -15.030 -15.030
    6    H    CYS   2           HN       CYS   2  -6.511 -14.997 -14.997
    7    HA   CYS   2           HA       CYS   2  -5.319 -12.693 -12.693
    8   1HB   CYS   2          2HB       CYS   2  -3.149 -14.344 -14.344
    9   2HB   CYS   2          3HB       CYS   2  -3.829 -14.035 -14.035
   10    H    ASP   3           HN       ASP   3  -4.440 -11.041 -11.041
   11    HA   ASP   3           HA       ASP   3  -3.752 -11.729 -11.729
   12   1HB   ASP   3          2HB       ASP   3  -5.533  -9.598  -9.598
   13   2HB   ASP   3          3HB       ASP   3  -4.419  -9.054  -9.054
   14    H    TYR   4           HN       TYR   4  -2.794 -10.605 -10.605
   15    HA   TYR   4           HA       TYR   4  -0.452  -9.273  -9.273
   16   1HB   TYR   4          2HB       TYR   4  -2.216  -8.504  -8.504
   17   2HB   TYR   4          3HB       TYR   4  -0.686  -7.725  -7.725
   18    HD1  TYR   4           HD2      TYR   4  -0.467  -6.623  -6.623
   19    HD2  TYR   4           HD1      TYR   4  -4.192  -7.608  -7.608
   20    HE1  TYR   4           HE2      TYR   4  -1.665  -4.958  -4.958
   21    HE2  TYR   4           HE1      TYR   4  -5.378  -5.939  -5.939
   22    HH   TYR   4           HH       TYR   4  -3.536  -4.013  -4.013
   23    H    THR   5           HN       THR   5   0.738 -11.245 -11.245
   24    HA   THR   5           HA       THR   5   0.958 -12.150 -12.150
   25    HB   THR   5           HB       THR   5   1.764 -13.324 -13.324
   26    HG1  THR   5           HG1      THR   5   0.001 -14.183 -14.183
   27   1HG2  THR   5          2HG2      THR   5   2.854 -13.915 -13.915
   28   2HG2  THR   5          3HG2      THR   5   1.746 -15.235 -15.235
   29   3HG2  THR   5          1HG2      THR   5   3.103 -14.814 -14.814
   30    H    CYS   6           HN       CYS   6   2.322 -10.912 -10.912
   31    HA   CYS   6           HA       CYS   6   4.618  -9.770  -9.770
   32   1HB   CYS   6          2HB       CYS   6   3.405  -9.647  -9.647
   33   2HB   CYS   6          3HB       CYS   6   5.072  -9.154  -9.154
   34    H    GLY   7           HN       GLY   7   5.210 -12.176 -12.176
   35   1HA   GLY   7          1HA       GLY   7   6.792 -13.773 -13.773
   36   2HA   GLY   7          2HA       GLY   7   7.404 -12.970 -12.970
   37    H    SER   8           HN       SER   8   5.434 -13.045 -13.045
   38    HA   SER   8           HA       SER   8   4.590 -15.829 -15.829
   39   1HB   SER   8          2HB       SER   8   5.420 -16.178 -16.178
   40   2HB   SER   8          3HB       SER   8   6.710 -15.279 -15.279
   41    HG   SER   8           HG       SER   8   5.417 -14.633 -14.633
   42    H    ASN   9           HN       ASN   9   2.775 -14.082 -14.082
   43    HA   ASN   9           HA       ASN   9   1.084 -13.723 -13.723
   44   1HB   ASN   9          2HB       ASN   9   1.426 -11.600 -11.600
   45   2HB   ASN   9          3HB       ASN   9   0.357 -11.481 -11.481
   46   1HD2  ASN   9          2HD2      ASN   9   4.474 -11.293 -11.293
   47   2HD2  ASN   9          1HD2      ASN   9   3.764 -12.228 -12.228
   48    H    CYS  10           HN       CYS  10  -1.207 -12.735 -12.735
   49    HA   CYS  10           HA       CYS  10  -1.731 -13.634 -13.634
   50   1HB   CYS  10          2HB       CYS  10  -1.460 -15.818 -15.818
   51   2HB   CYS  10          3HB       CYS  10  -3.173 -15.499 -15.499
   52    H    TYR  11           HN       TYR  11  -2.313 -11.262 -11.262
   53    HA   TYR  11           HA       TYR  11  -5.141 -11.393 -11.393
   54   1HB   TYR  11          2HB       TYR  11  -4.333  -9.033  -9.033
   55   2HB   TYR  11          3HB       TYR  11  -4.091 -10.516 -10.516
   56    HD1  TYR  11           HD2      TYR  11  -2.155  -9.306  -9.306
   57    HD2  TYR  11           HD1      TYR  11  -2.152 -10.060 -10.060
   58    HE1  TYR  11           HE2      TYR  11   0.345  -8.851  -8.851
   59    HE2  TYR  11           HE1      TYR  11   0.348  -9.603  -9.603
   60    HH   TYR  11           HH       TYR  11   1.946  -7.989  -7.989
   61    H    SER  12           HN       SER  12  -6.016 -11.042 -11.042
   62    HA   SER  12           HA       SER  12  -4.909  -9.304  -9.304
   63   1HB   SER  12          2HB       SER  12  -7.262  -9.388  -9.388
   64   2HB   SER  12          3HB       SER  12  -6.454 -10.927 -10.927
   65    HG   SER  12           HG       SER  12  -8.843 -10.470 -10.470
   66    H    SER  13           HN       SER  13  -6.553  -7.407  -7.407
   67    HA   SER  13           HA       SER  13  -6.247  -5.317  -5.317
   68   1HB   SER  13          2HB       SER  13  -8.448  -4.552  -4.552
   69   2HB   SER  13          3HB       SER  13  -6.776  -4.420  -4.420
   70    HG   SER  13           HG       SER  13  -7.699  -5.581  -5.581
   71    H    SER  14           HN       SER  14  -8.544  -7.901  -7.901
   72    HA   SER  14           HA       SER  14 -10.528  -6.378  -6.378
   73   1HB   SER  14          2HB       SER  14 -11.132  -8.335  -8.335
   74   2HB   SER  14          3HB       SER  14 -10.188  -9.388  -9.388
   75    HG   SER  14           HG       SER  14 -12.454  -9.453  -9.453
   76    H    ASP  15           HN       ASP  15  -7.673  -8.343  -8.343
   77    HA   ASP  15           HA       ASP  15  -8.403  -8.619  -8.619
   78   1HB   ASP  15          2HB       ASP  15  -6.132  -9.435  -9.435
   79   2HB   ASP  15          3HB       ASP  15  -5.729  -9.226  -9.226
   80    H    VAL  16           HN       VAL  16  -6.203  -6.662  -6.662
   81    HA   VAL  16           HA       VAL  16  -4.743  -5.415  -5.415
   82    HB   VAL  16           HB       VAL  16  -5.572  -4.453  -4.453
   83   1HG1  VAL  16          1HG1      VAL  16  -3.544  -3.391  -3.391
   84   2HG1  VAL  16          2HG1      VAL  16  -3.413  -3.086  -3.086
   85   3HG1  VAL  16          3HG1      VAL  16  -4.839  -2.515  -2.515
   86   1HG2  VAL  16          1HG2      VAL  16  -4.248  -6.672  -6.672
   87   2HG2  VAL  16          2HG2      VAL  16  -3.669  -5.481  -5.481
   88   3HG2  VAL  16          3HG2      VAL  16  -2.884  -5.602  -5.602
   89    H    SER  17           HN       SER  17  -7.876  -4.526  -4.526
   90    HA   SER  17           HA       SER  17  -8.350  -2.116  -2.116
   91   1HB   SER  17          2HB       SER  17  -9.996  -3.514  -3.514
   92   2HB   SER  17          3HB       SER  17 -10.291  -4.459  -4.459
   93    HG   SER  17           HG       SER  17 -11.193  -2.618  -2.618
   94    H    THR  18           HN       THR  18  -8.762  -5.113  -5.113
   95    HA   THR  18           HA       THR  18  -9.659  -3.943  -3.943
   96    HB   THR  18           HB       THR  18  -8.101  -6.415  -6.415
   97    HG1  THR  18           HG1      THR  18 -10.549  -5.616  -5.616
   98   1HG2  THR  18          3HG2      THR  18  -8.117  -5.179  -5.179
   99   2HG2  THR  18          1HG2      THR  18  -8.793  -6.825  -6.825
  100   3HG2  THR  18          2HG2      THR  18  -7.135  -6.529  -6.529
  101    H    ALA  19           HN       ALA  19  -6.217  -4.473  -4.473
  102    HA   ALA  19           HA       ALA  19  -5.116  -3.331  -3.331
  103   1HB   ALA  19          3HB       ALA  19  -4.088  -3.539  -3.539
  104   2HB   ALA  19          1HB       ALA  19  -3.087  -3.103  -3.103
  105   3HB   ALA  19          2HB       ALA  19  -3.839  -4.714  -4.714
  106    H    GLN  20           HN       GLN  20  -6.193  -1.910  -1.910
  107    HA   GLN  20           HA       GLN  20  -5.171   0.612   0.612
  108   1HB   GLN  20          2HB       GLN  20  -7.752   0.017   0.017
  109   2HB   GLN  20          3HB       GLN  20  -6.628   1.330   1.330
  110   1HG   GLN  20          2HG       GLN  20  -4.965  -0.130  -0.130
  111   2HG   GLN  20          3HG       GLN  20  -5.705  -1.557  -1.557
  112   1HE2  GLN  20          2HE2      GLN  20  -7.748   0.268   0.268
  113   2HE2  GLN  20          1HE2      GLN  20  -7.046   1.185   1.185
  114    H    ALA  21           HN       ALA  21  -8.519  -0.676  -0.676
  115    HA   ALA  21           HA       ALA  21  -9.731   1.508   1.508
  116   1HB   ALA  21          2HB       ALA  21 -10.546  -0.931  -0.931
  117   2HB   ALA  21          3HB       ALA  21  -9.932  -1.181  -1.181
  118   3HB   ALA  21          1HB       ALA  21 -11.216   0.014   0.014
  119    H    ALA  22           HN       ALA  22  -7.312  -0.571  -0.571
  120    HA   ALA  22           HA       ALA  22  -7.566   0.606   0.606
  121   1HB   ALA  22          1HB       ALA  22  -6.411  -1.564  -1.564
  122   2HB   ALA  22          2HB       ALA  22  -5.060  -0.583  -0.583
  123   3HB   ALA  22          3HB       ALA  22  -5.492  -0.519  -0.519
  124    H    GLY  23           HN       GLY  23  -5.006   1.159   1.159
  125   1HA   GLY  23          1HA       GLY  23  -3.856   3.381   3.381
  126   2HA   GLY  23          2HA       GLY  23  -3.771   2.973   2.973
  127    H    TYR  24           HN       TYR  24  -6.572   3.106   3.106
  128    HA   TYR  24           HA       TYR  24  -6.838   5.780   5.780
  129   1HB   TYR  24          2HB       TYR  24  -8.485   3.256   3.256
  130   2HB   TYR  24          3HB       TYR  24  -9.428   4.732   4.732
  131    HD1  TYR  24           HD1      TYR  24  -8.061   6.469   6.469
  132    HD2  TYR  24           HD2      TYR  24  -8.512   2.218   2.218
  133    HE1  TYR  24           HE1      TYR  24  -7.791   6.533   6.533
  134    HE2  TYR  24           HE2      TYR  24  -8.241   2.296   2.296
  135    HH   TYR  24           HH       TYR  24  -7.920   5.399   5.399
  136    H    LYS  25           HN       LYS  25  -8.742   3.923   3.923
  137    HA   LYS  25           HA       LYS  25 -10.166   5.955   5.955
  138   1HB   LYS  25          2HB       LYS  25 -10.774   4.038   4.038
  139   2HB   LYS  25          3HB       LYS  25  -9.160   3.360   3.360
  140   1HG   LYS  25          2HG       LYS  25  -9.773   5.649   5.649
  141   2HG   LYS  25          3HG       LYS  25 -10.207   4.008   4.008
  142   1HD   LYS  25          2HD       LYS  25  -7.531   3.872   3.872
  143   2HD   LYS  25          3HD       LYS  25  -7.586   5.282   5.282
  144   1HE   LYS  25          2HE       LYS  25  -7.015   3.357   3.357
  145   2HE   LYS  25          3HE       LYS  25  -8.635   3.867   3.867
  146   1HZ   LYS  25          2HZ       LYS  25  -9.249   2.156   2.156
  147   2HZ   LYS  25          3HZ       LYS  25  -7.800   1.511   1.511
  148   3HZ   LYS  25          1HZ       LYS  25  -8.954   1.669   1.669
  149    H    LEU  26           HN       LEU  26  -6.777   5.044   5.044
  150    HA   LEU  26           HA       LEU  26  -6.507   7.126   7.126
  151   1HB   LEU  26          2HB       LEU  26  -5.144   5.149   5.149
  152   2HB   LEU  26          3HB       LEU  26  -4.496   5.464   5.464
  153    HG   LEU  26           HG       LEU  26  -3.662   7.712   7.712
  154   1HD1  LEU  26          2HD1      LEU  26  -4.879   7.195   7.195
  155   2HD1  LEU  26          3HD1      LEU  26  -3.698   5.891   5.891
  156   3HD1  LEU  26          1HD1      LEU  26  -3.150   7.581   7.581
  157   1HD2  LEU  26          2HD2      LEU  26  -2.527   5.083   5.083
  158   2HD2  LEU  26          3HD2      LEU  26  -1.791   6.690   6.690
  159   3HD2  LEU  26          1HD2      LEU  26  -1.759   5.903   5.903
  160    H    HIS  27           HN       HIS  27  -6.080   6.882   6.882
  161    HA   HIS  27           HA       HIS  27  -4.636   9.271   9.271
  162   1HB   HIS  27          2HB       HIS  27  -4.555   7.672   7.672
  163   2HB   HIS  27          3HB       HIS  27  -6.301   7.598   7.598
  164    HD1  HIS  27           HD1      HIS  27  -3.680  10.400  10.400
  165    HD2  HIS  27           HD2      HIS  27  -7.150   8.968   8.968
  166    HE1  HIS  27           HE1      HIS  27  -4.091  11.923  11.923
  167    HE2  HIS  27           HE2      HIS  27  -6.203  10.960  10.960
  168    H    GLU  28           HN       GLU  28  -8.162   8.477   8.477
  169    HA   GLU  28           HA       GLU  28  -8.994  10.991  10.991
  170   1HB   GLU  28          2HB       GLU  28 -10.925   9.725   9.725
  171   2HB   GLU  28          3HB       GLU  28 -11.007   9.965   9.965
  172   1HG   GLU  28          2HG       GLU  28  -9.561   7.932   7.932
  173   2HG   GLU  28          3HG       GLU  28  -9.536   7.683   7.683
  174    H    ASP  29           HN       ASP  29  -7.807   9.749   9.749
  175    HA   ASP  29           HA       ASP  29  -8.957  11.958  11.958
  176   1HB   ASP  29          2HB       ASP  29  -7.287   9.533   9.533
  177   2HB   ASP  29          3HB       ASP  29  -7.508  10.839  10.839
  178    H    GLY  30           HN       GLY  30  -6.036  10.967  10.967
  179   1HA   GLY  30          1HA       GLY  30  -4.179  12.162  12.162
  180   2HA   GLY  30          2HA       GLY  30  -4.779  13.501  13.501
  181    H    GLU  31           HN       GLU  31  -4.519  10.188  10.188
  182    HA   GLU  31           HA       GLU  31  -2.410  11.208  11.208
  183   1HB   GLU  31          2HB       GLU  31  -4.596   9.144   9.144
  184   2HB   GLU  31          3HB       GLU  31  -3.199   9.230   9.230
  185   1HG   GLU  31          2HG       GLU  31  -4.952  11.652  11.652
  186   2HG   GLU  31          3HG       GLU  31  -5.264  10.575  10.575
  187    H    THR  32           HN       THR  32  -1.234   8.994   8.994
  188    HA   THR  32           HA       THR  32  -0.417   7.441   7.441
  189    HB   THR  32           HB       THR  32   1.876   7.623   7.623
  190    HG1  THR  32           HG1      THR  32   2.101   8.834   8.834
  191   1HG2  THR  32          3HG2      THR  32   0.435  10.294  10.294
  192   2HG2  THR  32          1HG2      THR  32   2.205  10.118  10.118
  193   3HG2  THR  32          2HG2      THR  32   1.219   9.734   9.734
  194    H    VAL  33           HN       VAL  33   1.063   5.476   5.476
  195    HA   VAL  33           HA       VAL  33  -0.645   4.268   4.268
  196    HB   VAL  33           HB       VAL  33  -0.290   2.119   2.119
  197   1HG1  VAL  33          3HG1      VAL  33  -2.051   4.216   4.216
  198   2HG1  VAL  33          1HG1      VAL  33  -1.523   3.504   3.504
  199   3HG1  VAL  33          2HG1      VAL  33  -2.266   2.474   2.474
  200   1HG2  VAL  33          1HG2      VAL  33   1.051   3.881   3.881
  201   2HG2  VAL  33          2HG2      VAL  33   1.718   2.461   2.461
  202   3HG2  VAL  33          3HG2      VAL  33   0.427   2.256   2.256
  203    H    GLY  34           HN       GLY  34   0.477   3.874   3.874
  204   1HA   GLY  34          1HA       GLY  34   2.662   4.295   4.295
  205   2HA   GLY  34          2HA       GLY  34   2.289   2.584   2.584
  206    H    SER  35           HN       SER  35   3.651   5.153   5.153
  207    HA   SER  35           HA       SER  35   6.139   4.053   4.053
  208   1HB   SER  35          2HB       SER  35   6.172   2.847   2.847
  209   2HB   SER  35          3HB       SER  35   4.982   2.100   2.100
  210    HG   SER  35           HG       SER  35   3.505   3.825   3.825
  211    H    ASN  36           HN       ASN  36   6.293   4.485   4.485
  212    HA   ASN  36           HA       ASN  36   6.998   7.091   7.091
  213   1HB   ASN  36          2HB       ASN  36   6.195   5.117   5.117
  214   2HB   ASN  36          3HB       ASN  36   6.283   6.797   6.797
  215   1HD2  ASN  36          2HD2      ASN  36   9.577   5.034   5.034
  216   2HD2  ASN  36          1HD2      ASN  36   7.937   4.702   4.702
  217    H    SER  37           HN       SER  37   5.621   8.308   8.308
  218    HA   SER  37           HA       SER  37   3.205   9.079   9.079
  219   1HB   SER  37          2HB       SER  37   3.163  10.927  10.927
  220   2HB   SER  37          3HB       SER  37   4.633  10.892  10.892
  221    HG   SER  37           HG       SER  37   4.557   9.469   9.469
  222    H    TYR  38           HN       TYR  38   3.260   6.422   6.422
  223    HA   TYR  38           HA       TYR  38   1.919   6.565   6.565
  224   1HB   TYR  38          2HB       TYR  38   2.448   4.386   4.386
  225   2HB   TYR  38          3HB       TYR  38   1.775   4.038   4.038
  226    HD1  TYR  38           HD2      TYR  38   4.491   6.490   6.490
  227    HD2  TYR  38           HD1      TYR  38   3.487   2.612   2.612
  228    HE1  TYR  38           HE2      TYR  38   6.835   6.244   6.244
  229    HE2  TYR  38           HE1      TYR  38   5.836   2.378   2.378
  230    HH   TYR  38           HH       TYR  38   7.658   3.589   3.589
  231    HA   PRO  39           HA       PRO  39   0.642   5.514   5.514
  232   1HB   PRO  39          2HB       PRO  39  -1.504   6.287   6.287
  233   2HB   PRO  39          3HB       PRO  39  -1.296   4.656   4.656
  234   1HG   PRO  39          2HG       PRO  39  -3.125   6.771   6.771
  235   2HG   PRO  39          3HG       PRO  39  -3.193   5.044   5.044
  236   1HD   PRO  39          2HD       PRO  39  -2.296   7.061   7.061
  237   2HD   PRO  39          3HD       PRO  39  -2.255   5.327   5.327
  238    H    HIS  40           HN       HIS  40   0.704   6.868   6.868
  239    HA   HIS  40           HA       HIS  40   0.491   9.639   9.639
  240   1HB   HIS  40          2HB       HIS  40   2.793  10.302  10.302
  241   2HB   HIS  40          3HB       HIS  40   2.416   9.267   9.267
  242    HD1  HIS  40           HD1      HIS  40   4.071   9.000   9.000
  243    HD2  HIS  40           HD2      HIS  40   4.147   7.164   7.164
  244    HE1  HIS  40           HE1      HIS  40   5.970   7.298   7.298
  245    HE2  HIS  40           HE2      HIS  40   6.004   6.242   6.242
  246    H    LYS  41           HN       LYS  41   1.652  10.804  10.804
  247    HA   LYS  41           HA       LYS  41   0.726   9.705   9.705
  248   1HB   LYS  41          2HB       LYS  41   1.515  12.114  12.114
  249   2HB   LYS  41          3HB       LYS  41   3.081  11.582  11.582
  250   1HG   LYS  41          2HG       LYS  41   2.268  11.171  11.171
  251   2HG   LYS  41          3HG       LYS  41   0.596  11.127  11.127
  252   1HD   LYS  41          2HD       LYS  41   1.066  13.251  13.251
  253   2HD   LYS  41          3HD       LYS  41   0.667  13.559  13.559
  254   1HE   LYS  41          2HE       LYS  41   2.987  13.916  13.916
  255   2HE   LYS  41          3HE       LYS  41   3.554  13.255  13.255
  256   1HZ   LYS  41          3HZ       LYS  41   1.756  15.414  15.414
  257   2HZ   LYS  41          1HZ       LYS  41   3.061  15.857  15.857
  258   3HZ   LYS  41          2HZ       LYS  41   3.259  15.200  15.200
  259    H    TYR  42           HN       TYR  42   2.121   9.125   9.125
  260    HA   TYR  42           HA       TYR  42   4.622   7.848   7.848
  261   1HB   TYR  42          2HB       TYR  42   3.175   6.047   6.047
  262   2HB   TYR  42          3HB       TYR  42   1.950   6.428   6.428
  263    HD1  TYR  42           HD1      TYR  42   2.762   6.136   6.136
  264    HD2  TYR  42           HD2      TYR  42   4.507   4.176   4.176
  265    HE1  TYR  42           HE1      TYR  42   3.688   4.323   4.323
  266    HE2  TYR  42           HE2      TYR  42   5.429   2.370   2.370
  267    HH   TYR  42           HH       TYR  42   4.347   1.707   1.707
  268    H    ASN  43           HN       ASN  43   2.004   8.878   8.878
  269    HA   ASN  43           HA       ASN  43   1.866   9.215   9.215
  270   1HB   ASN  43          2HB       ASN  43   4.763   9.847   9.847
  271   2HB   ASN  43          3HB       ASN  43   4.270   9.832   9.832
  272   1HD2  ASN  43          2HD2      ASN  43   2.963  12.718  12.718
  273   2HD2  ASN  43          1HD2      ASN  43   3.729  11.253  11.253
  274    H    ASN  44           HN       ASN  44   5.165   8.336   8.336
  275    HA   ASN  44           HA       ASN  44   5.388   5.758   5.758
  276   1HB   ASN  44          2HB       ASN  44   4.207   4.789   4.789
  277   2HB   ASN  44          3HB       ASN  44   3.002   5.742   5.742
  278   1HD2  ASN  44          2HD2      ASN  44   4.167   6.583   6.583
  279   2HD2  ASN  44          1HD2      ASN  44   4.839   5.304   5.304
  280    H    TYR  45           HN       TYR  45   6.432   5.003   5.003
  281    HA   TYR  45           HA       TYR  45   7.312   6.781   6.781
  282   1HB   TYR  45          2HB       TYR  45   8.638   6.948   6.948
  283   2HB   TYR  45          3HB       TYR  45   9.775   6.786   6.786
  284    HD1  TYR  45           HD1      TYR  45   6.783   8.443   8.443
  285    HD2  TYR  45           HD2      TYR  45  10.516   9.083   9.083
  286    HE1  TYR  45           HE1      TYR  45   6.607  10.938  10.938
  287    HE2  TYR  45           HE2      TYR  45  10.328  11.575  11.575
  288    HH   TYR  45           HH       TYR  45   7.585  13.064  13.064
  289    H    GLU  46           HN       GLU  46   8.539   4.266   4.266
  290    HA   GLU  46           HA       GLU  46  10.423   3.120   3.120
  291   1HB   GLU  46          2HB       GLU  46   8.370   1.893   1.893
  292   2HB   GLU  46          3HB       GLU  46   9.609   0.906   0.906
  293   1HG   GLU  46          2HG       GLU  46   9.973   2.169   2.169
  294   2HG   GLU  46          3HG       GLU  46  11.295   1.795   1.795
  295    H    GLY  47           HN       GLY  47   7.046   3.365   3.365
  296   1HA   GLY  47          1HA       GLY  47   6.427   2.945   2.945
  297   2HA   GLY  47          2HA       GLY  47   7.425   1.504   1.504
  298    H    PHE  48           HN       PHE  48   4.880   2.873   2.873
  299    HA   PHE  48           HA       PHE  48   3.744   0.195   0.195
  300   1HB   PHE  48          2HB       PHE  48   3.381   2.853   2.853
  301   2HB   PHE  48          3HB       PHE  48   2.414   1.438   1.438
  302    HD1  PHE  48           HD2      PHE  48   3.627  -0.671  -0.671
  303    HD2  PHE  48           HD1      PHE  48   5.499   3.134   3.134
  304    HE1  PHE  48           HE2      PHE  48   5.398  -1.473  -1.473
  305    HE2  PHE  48           HE1      PHE  48   7.271   2.332   2.332
  306    HZ   PHE  48           HZ       PHE  48   7.199   0.037   0.037
  307    H    ASP  49           HN       ASP  49   1.728  -0.336  -0.336
  308    HA   ASP  49           HA       ASP  49   0.504   1.708   1.708
  309   1HB   ASP  49          2HB       ASP  49  -0.597  -1.087  -1.087
  310   2HB   ASP  49          3HB       ASP  49  -0.500  -0.043  -0.043
  311    H    PHE  50           HN       PHE  50  -0.123   2.749   2.749
  312    HA   PHE  50           HA       PHE  50  -2.054   1.424   1.424
  313   1HB   PHE  50          2HB       PHE  50  -1.144   4.330   4.330
  314   2HB   PHE  50          3HB       PHE  50  -2.306   3.897   3.897
  315    HD1  PHE  50           HD1      PHE  50  -0.335   1.132   1.132
  316    HD2  PHE  50           HD2      PHE  50  -0.081   5.239   5.239
  317    HE1  PHE  50           HE1      PHE  50   1.544   0.618   0.618
  318    HE2  PHE  50           HE2      PHE  50   1.797   4.726   4.726
  319    HZ   PHE  50           HZ       PHE  50   2.587   2.421   2.421
  320    H    SER  51           HN       SER  51  -4.011   0.845   0.845
  321    HA   SER  51           HA       SER  51  -5.187   2.383   2.383
  322   1HB   SER  51          2HB       SER  51  -7.059   0.780   0.780
  323   2HB   SER  51          3HB       SER  51  -5.520  -0.055  -0.055
  324    HG   SER  51           HG       SER  51  -6.522  -1.016  -1.016
  325    H    VAL  52           HN       VAL  52  -4.603   3.731   3.731
  326    HA   VAL  52           HA       VAL  52  -7.332   4.697   4.697
  327    HB   VAL  52           HB       VAL  52  -6.711   4.972   4.972
  328   1HG1  VAL  52          2HG1      VAL  52  -7.090   2.371   2.371
  329   2HG1  VAL  52          3HG1      VAL  52  -6.554   2.282   2.282
  330   3HG1  VAL  52          1HG1      VAL  52  -8.053   3.148   3.148
  331   1HG2  VAL  52          3HG2      VAL  52  -4.121   4.207   4.207
  332   2HG2  VAL  52          1HG2      VAL  52  -4.597   4.739   4.739
  333   3HG2  VAL  52          2HG2      VAL  52  -4.663   3.012   3.012
  334    H    SER  53           HN       SER  53  -7.342   6.958   6.958
  335    HA   SER  53           HA       SER  53  -5.266   8.431   8.431
  336   1HB   SER  53          2HB       SER  53  -8.020   9.085   9.085
  337   2HB   SER  53          3HB       SER  53  -6.887  10.392  10.392
  338    HG   SER  53           HG       SER  53  -8.387   9.016   9.016
  339    H    SER  54           HN       SER  54  -4.180  10.285  10.285
  340    HA   SER  54           HA       SER  54  -3.295   9.514   9.514
  341   1HB   SER  54          2HB       SER  54  -1.669  11.122  11.122
  342   2HB   SER  54          3HB       SER  54  -2.195  10.972  10.972
  343    HG   SER  54           HG       SER  54  -2.079  13.206  13.206
  344    HA   PRO  55           HA       PRO  55  -2.132  11.359  11.359
  345   1HB   PRO  55          2HB       PRO  55  -1.813  11.652  11.652
  346   2HB   PRO  55          3HB       PRO  55  -1.771  12.997  12.997
  347   1HG   PRO  55          2HG       PRO  55  -3.923  12.207  12.207
  348   2HG   PRO  55          3HG       PRO  55  -3.674  13.746  13.746
  349   1HD   PRO  55          2HD       PRO  55  -5.588  11.731  11.731
  350   2HD   PRO  55          3HD       PRO  55  -5.260  13.218  13.218
  351    H    TYR  56           HN       TYR  56  -0.652   9.707   9.707
  352    HA   TYR  56           HA       TYR  56  -2.104   7.271   7.271
  353   1HB   TYR  56          2HB       TYR  56   0.729   8.067   8.067
  354   2HB   TYR  56          3HB       TYR  56   0.305   6.397   6.397
  355    HD1  TYR  56           HD1      TYR  56  -2.411   6.218   6.218
  356    HD2  TYR  56           HD2      TYR  56   1.112   8.169   8.169
  357    HE1  TYR  56           HE1      TYR  56  -3.248   5.977   5.977
  358    HE2  TYR  56           HE2      TYR  56   0.262   7.922   7.922
  359    HH   TYR  56           HH       TYR  56  -2.625   6.053   6.053
  360    H    TYR  57           HN       TYR  57  -2.330   6.689   6.689
  361    HA   TYR  57           HA       TYR  57  -0.304   7.588   7.588
  362   1HB   TYR  57          2HB       TYR  57  -2.964   6.061   6.061
  363   2HB   TYR  57          3HB       TYR  57  -2.089   6.835   6.835
  364    HD1  TYR  57           HD2      TYR  57  -1.391   9.371   9.371
  365    HD2  TYR  57           HD1      TYR  57  -5.021   7.275   7.275
  366    HE1  TYR  57           HE2      TYR  57  -2.721  11.505  11.505
  367    HE2  TYR  57           HE1      TYR  57  -6.338   9.417   9.417
  368    HH   TYR  57           HH       TYR  57  -5.084  12.341  12.341
  369    H    GLU  58           HN       GLU  58   1.080   6.225   6.225
  370    HA   GLU  58           HA       GLU  58   1.039   3.484   3.484
  371   1HB   GLU  58          2HB       GLU  58   3.378   3.405   3.405
  372   2HB   GLU  58          3HB       GLU  58   3.154   4.640   4.640
  373   1HG   GLU  58          2HG       GLU  58   4.431   5.583   5.583
  374   2HG   GLU  58          3HG       GLU  58   2.864   6.363   6.363
  375    H    TRP  59           HN       TRP  59   1.157   1.679   1.679
  376    HA   TRP  59           HA       TRP  59   1.101   2.124   2.124
  377   1HB   TRP  59          2HB       TRP  59  -1.139   2.839   2.839
  378   2HB   TRP  59          3HB       TRP  59  -1.488   1.512   1.512
  379    HD1  TRP  59           HD1      TRP  59  -2.187  -0.825  -0.825
  380    HE1  TRP  59           HE1      TRP  59  -2.792  -1.652  -1.652
  381    HE3  TRP  59           HE3      TRP  59  -0.439   3.300   3.300
  382    HZ2  TRP  59           HZ2      TRP  59  -2.478  -0.512  -0.512
  383    HZ3  TRP  59           HZ3      TRP  59  -0.626   3.364   3.364
  384    HH2  TRP  59           HH2      TRP  59  -1.603   1.546   1.546
  385    HA   PRO  60           HA       PRO  60   2.434  -1.985  -1.985
  386   1HB   PRO  60          2HB       PRO  60   2.384  -2.833  -2.833
  387   2HB   PRO  60          3HB       PRO  60   3.688  -1.873  -1.873
  388   1HG   PRO  60          2HG       PRO  60   1.512  -1.034  -1.034
  389   2HG   PRO  60          3HG       PRO  60   3.033  -0.231  -0.231
  390   1HD   PRO  60          2HD       PRO  60   0.450   0.493   0.493
  391   2HD   PRO  60          3HD       PRO  60   1.985   1.222   1.222
  392    H    ILE  61           HN       ILE  61   1.855  -4.203  -4.203
  393    HA   ILE  61           HA       ILE  61  -1.003  -4.538  -4.538
  394    HB   ILE  61           HB       ILE  61  -0.375  -4.259  -4.259
  395   1HG1  ILE  61          2HG1      ILE  61  -1.729  -6.873  -6.873
  396   2HG1  ILE  61          3HG1      ILE  61  -2.483  -5.303  -5.303
  397   1HG2  ILE  61          3HG2      ILE  61   1.709  -5.768  -5.768
  398   2HG2  ILE  61          1HG2      ILE  61   0.565  -7.112  -7.112
  399   3HG2  ILE  61          2HG2      ILE  61   0.771  -5.896  -5.896
  400   1HD1  ILE  61          2HD1      ILE  61  -1.310  -6.223  -6.223
  401   2HD1  ILE  61          3HD1      ILE  61  -3.004  -6.512  -6.512
  402   3HD1  ILE  61          1HD1      ILE  61  -2.400  -4.847  -4.847
  403    H    LEU  62           HN       LEU  62  -1.300  -5.965  -5.965
  404    HA   LEU  62           HA       LEU  62   0.849  -7.813  -7.813
  405   1HB   LEU  62          2HB       LEU  62  -1.696  -7.049  -7.049
  406   2HB   LEU  62          3HB       LEU  62  -0.620  -8.314  -8.314
  407    HG   LEU  62           HG       LEU  62   0.475  -5.561  -5.561
  408   1HD1  LEU  62          1HD1      LEU  62  -1.721  -5.717  -5.717
  409   2HD1  LEU  62          2HD1      LEU  62  -0.498  -6.158  -6.158
  410   3HD1  LEU  62          3HD1      LEU  62  -0.370  -4.610  -4.610
  411   1HD2  LEU  62          1HD2      LEU  62   1.878  -7.639  -7.639
  412   2HD2  LEU  62          2HD2      LEU  62   2.168  -6.170  -6.170
  413   3HD2  LEU  62          3HD2      LEU  62   1.214  -7.509  -7.509
  414    H    SER  63           HN       SER  63   0.919  -9.825  -9.825
  415    HA   SER  63           HA       SER  63  -1.179 -10.772 -10.772
  416   1HB   SER  63          2HB       SER  63   1.443 -11.338 -11.338
  417   2HB   SER  63          3HB       SER  63   0.883 -12.652 -12.652
  418    HG   SER  63           HG       SER  63  -0.262 -12.120 -12.120
  419    H    SER  64           HN       SER  64  -0.995 -10.476 -10.476
  420    HA   SER  64           HA       SER  64  -2.271 -13.000 -13.000
  421   1HB   SER  64          2HB       SER  64  -1.006 -10.811 -10.811
  422   2HB   SER  64          3HB       SER  64  -2.306 -11.691 -11.691
  423    HG   SER  64           HG       SER  64  -0.652 -13.009 -13.009
  424    H    GLY  65           HN       GLY  65  -3.079  -9.789  -9.789
  425   1HA   GLY  65          1HA       GLY  65  -5.170  -8.982  -8.982
  426   2HA   GLY  65          2HA       GLY  65  -5.896 -10.307 -10.307
  427    H    ASP  66           HN       ASP  66  -3.303  -8.122  -8.122
  428    HA   ASP  66           HA       ASP  66  -5.186  -7.321  -7.321
  429   1HB   ASP  66          2HB       ASP  66  -2.135  -7.274  -7.274
  430   2HB   ASP  66          3HB       ASP  66  -3.068  -6.619  -6.619
  431    H    VAL  67           HN       VAL  67  -3.837  -4.992  -4.992
  432    HA   VAL  67           HA       VAL  67  -3.751  -3.278  -3.278
  433    HB   VAL  67           HB       VAL  67  -5.324  -3.022  -3.022
  434   1HG1  VAL  67          2HG1      VAL  67  -3.998  -0.791  -0.791
  435   2HG1  VAL  67          3HG1      VAL  67  -5.630  -0.537  -0.537
  436   3HG1  VAL  67          1HG1      VAL  67  -4.288  -0.978  -0.978
  437   1HG2  VAL  67          1HG2      VAL  67  -5.822  -3.101  -3.101
  438   2HG2  VAL  67          2HG2      VAL  67  -6.881  -3.539  -3.539
  439   3HG2  VAL  67          3HG2      VAL  67  -6.730  -1.837  -1.837
  440    H    TYR  68           HN       TYR  68  -1.595  -2.834  -2.834
  441    HA   TYR  68           HA       TYR  68   0.307  -2.933  -2.933
  442   1HB   TYR  68          2HB       TYR  68   0.820  -2.535  -2.535
  443   2HB   TYR  68          3HB       TYR  68  -0.238  -1.140  -1.140
  444    HD1  TYR  68           HD2      TYR  68   2.839  -2.267  -2.267
  445    HD2  TYR  68           HD1      TYR  68   0.746   0.958   0.958
  446    HE1  TYR  68           HE2      TYR  68   4.823  -0.731  -0.731
  447    HE2  TYR  68           HE1      TYR  68   2.738   2.484   2.484
  448    HH   TYR  68           HH       TYR  68   4.619   2.705   2.705
  449    H    SER  69           HN       SER  69  -0.336  -2.183  -2.183
  450    HA   SER  69           HA       SER  69  -1.135   0.571   0.571
  451   1HB   SER  69          2HB       SER  69  -1.301   0.002   0.002
  452   2HB   SER  69          3HB       SER  69  -2.358  -0.914  -0.914
  453    HG   SER  69           HG       SER  69  -0.546  -1.876  -1.876
  454    H    GLY  70           HN       GLY  70   1.625  -1.589  -1.589
  455   1HA   GLY  70          1HA       GLY  70   3.102   0.513   0.513
  456   2HA   GLY  70          2HA       GLY  70   3.617  -1.133  -1.133
  457    H    GLY  71           HN       GLY  71   5.685  -0.465  -0.465
  458   1HA   GLY  71          1HA       GLY  71   5.541   0.818   0.818
  459   2HA   GLY  71          2HA       GLY  71   6.796   1.174   1.174
  460    H    SER  72           HN       SER  72   5.494  -2.119  -2.119
  461    HA   SER  72           HA       SER  72   7.919  -2.868  -2.868
  462   1HB   SER  72          2HB       SER  72   7.809  -5.026  -5.026
  463   2HB   SER  72          3HB       SER  72   8.358  -3.576  -3.576
  464    HG   SER  72           HG       SER  72   5.767  -4.840  -4.840
  465    HA   PRO  73           HA       PRO  73   4.156  -4.493  -4.493
  466   1HB   PRO  73          2HB       PRO  73   4.501  -3.348  -3.348
  467   2HB   PRO  73          3HB       PRO  73   3.502  -2.642  -2.642
  468   1HG   PRO  73          2HG       PRO  73   6.189  -1.816  -1.816
  469   2HG   PRO  73          3HG       PRO  73   5.015  -0.901  -0.901
  470   1HD   PRO  73          2HD       PRO  73   7.381  -2.172  -2.172
  471   2HD   PRO  73          3HD       PRO  73   6.146  -1.358  -1.358
  472    H    GLY  74           HN       GLY  74   6.259  -4.003  -4.003
  473   1HA   GLY  74          1HA       GLY  74   7.971  -6.072  -6.072
  474   2HA   GLY  74          2HA       GLY  74   6.459  -6.877  -6.877
  475    H    ALA  75           HN       ALA  75   8.461  -7.006  -7.006
  476    HA   ALA  75           HA       ALA  75   8.801  -5.047  -5.047
  477   1HB   ALA  75          3HB       ALA  75   8.382  -8.035  -8.035
  478   2HB   ALA  75          1HB       ALA  75   8.945  -6.956  -6.956
  479   3HB   ALA  75          2HB       ALA  75   9.922  -7.162  -7.162
  480    H    ASP  76           HN       ASP  76   5.964  -7.275  -7.275
  481    HA   ASP  76           HA       ASP  76   4.671  -6.410  -6.410
  482   1HB   ASP  76          2HB       ASP  76   3.326  -7.218  -7.218
  483   2HB   ASP  76          3HB       ASP  76   2.658  -7.376  -7.376
  484    H    ARG  77           HN       ARG  77   3.526  -4.502  -4.502
  485    HA   ARG  77           HA       ARG  77   2.527  -2.982  -2.982
  486   1HB   ARG  77          2HB       ARG  77   4.355  -1.733  -1.733
  487   2HB   ARG  77          3HB       ARG  77   3.562  -0.865  -0.865
  488   1HG   ARG  77          2HG       ARG  77   5.198  -3.209  -3.209
  489   2HG   ARG  77          3HG       ARG  77   6.111  -1.894  -1.894
  490   1HD   ARG  77          2HD       ARG  77   4.309  -0.577  -0.577
  491   2HD   ARG  77          3HD       ARG  77   4.740  -2.018  -2.018
  492    HE   ARG  77           HE       ARG  77   6.635   0.090   0.090
  493   1HH1  ARG  77           HH2      ARG  77   6.048  -2.856  -2.856
  494   2HH1  ARG  77           HH2      ARG  77   7.554  -2.780  -2.780
  495   1HH2  ARG  77           HH1      ARG  77   8.623   0.191   0.191
  496   2HH2  ARG  77           HH1      ARG  77   9.030  -1.035  -1.035
  497    H    VAL  78           HN       VAL  78   0.838  -1.429  -1.429
  498    HA   VAL  78           HA       VAL  78  -0.102  -1.937  -1.937
  499    HB   VAL  78           HB       VAL  78  -1.678  -3.003  -3.003
  500   1HG1  VAL  78          2HG1      VAL  78  -0.642  -2.424  -2.424
  501   2HG1  VAL  78          3HG1      VAL  78  -1.497  -0.864  -0.864
  502   3HG1  VAL  78          1HG1      VAL  78  -2.422  -2.382  -2.382
  503   1HG2  VAL  78          2HG2      VAL  78  -2.619  -0.116  -0.116
  504   2HG2  VAL  78          3HG2      VAL  78  -2.831  -1.340  -1.340
  505   3HG2  VAL  78          1HG2      VAL  78  -3.670  -1.524  -1.524
  506    H    VAL  79           HN       VAL  79  -0.804  -0.158  -0.158
  507    HA   VAL  79           HA       VAL  79  -0.455   2.443   2.443
  508    HB   VAL  79           HB       VAL  79   0.484   1.547   1.547
  509   1HG1  VAL  79          3HG1      VAL  79  -0.538   4.045   4.045
  510   2HG1  VAL  79          1HG1      VAL  79   1.210   4.262   4.262
  511   3HG1  VAL  79          2HG1      VAL  79   0.608   3.670   3.670
  512   1HG2  VAL  79          2HG2      VAL  79   1.962   0.924   0.924
  513   2HG2  VAL  79          3HG2      VAL  79   2.709   2.159   2.159
  514   3HG2  VAL  79          1HG2      VAL  79   2.012   2.622   2.622
  515    H    PHE  80           HN       PHE  80  -2.158   3.826   3.826
  516    HA   PHE  80           HA       PHE  80  -4.074   3.204   3.204
  517   1HB   PHE  80          2HB       PHE  80  -5.868   3.633   3.633
  518   2HB   PHE  80          3HB       PHE  80  -4.840   2.316   2.316
  519    HD1  PHE  80           HD2      PHE  80  -2.729   3.161   3.161
  520    HD2  PHE  80           HD1      PHE  80  -6.420   5.217   5.217
  521    HE1  PHE  80           HE2      PHE  80  -2.294   4.365   4.365
  522    HE2  PHE  80           HE1      PHE  80  -5.984   6.421   6.421
  523    HZ   PHE  80           HZ       PHE  80  -3.927   5.981   5.981
  524    H    ASN  81           HN       ASN  81  -5.931   5.279   5.279
  525    HA   ASN  81           HA       ASN  81  -4.328   7.669   7.669
  526   1HB   ASN  81          2HB       ASN  81  -4.984   8.500   8.500
  527   2HB   ASN  81          3HB       ASN  81  -4.869   6.791   6.791
  528   1HD2  ASN  81          2HD2      ASN  81  -8.597   6.520   6.520
  529   2HD2  ASN  81          1HD2      ASN  81  -7.186   6.015   6.015
  530    H    GLU  82           HN       GLU  82  -7.315   8.381   8.381
  531    HA   GLU  82           HA       GLU  82  -8.420   9.786   9.786
  532   1HB   GLU  82          2HB       GLU  82  -9.429   9.493   9.493
  533   2HB   GLU  82          3HB       GLU  82  -9.903   7.851   7.851
  534   1HG   GLU  82          2HG       GLU  82 -11.263   8.846   8.846
  535   2HG   GLU  82          3HG       GLU  82 -10.960  10.421  10.421
  536    H    ASN  83           HN       ASN  83 -10.333   6.805   6.805
  537    HA   ASN  83           HA       ASN  83  -9.619   5.878   5.878
  538   1HB   ASN  83          2HB       ASN  83 -12.199   5.958   5.958
  539   2HB   ASN  83          3HB       ASN  83 -11.202   7.371   7.371
  540   1HD2  ASN  83          2HD2      ASN  83 -13.177   7.523   7.523
  541   2HD2  ASN  83          1HD2      ASN  83 -12.111   6.226   6.226
  542    H    ASN  84           HN       ASN  84  -9.136   3.960   3.960
  543    HA   ASN  84           HA       ASN  84 -10.088   1.836   1.836
  544   1HB   ASN  84          2HB       ASN  84 -12.281   1.436   1.436
  545   2HB   ASN  84          3HB       ASN  84 -12.479   2.900   2.900
  546   1HD2  ASN  84          2HD2      ASN  84 -13.936   4.547   4.547
  547   2HD2  ASN  84          1HD2      ASN  84 -13.914   4.106   4.106
  548    H    GLN  85           HN       GLN  85  -8.551   4.047   4.047
  549    HA   GLN  85           HA       GLN  85  -8.814   2.791   2.791
  550   1HB   GLN  85          2HB       GLN  85  -7.291   5.356   5.356
  551   2HB   GLN  85          3HB       GLN  85  -8.270   4.817   4.817
  552   1HG   GLN  85          2HG       GLN  85  -9.476   5.541   5.541
  553   2HG   GLN  85          3HG       GLN  85  -9.247   6.724   6.724
  554   1HE2  GLN  85          2HE2      GLN  85 -12.687   5.079   5.079
  555   2HE2  GLN  85          1HE2      GLN  85 -11.684   5.710   5.710
  556    H    LEU  86           HN       LEU  86  -7.469   1.246   1.246
  557    HA   LEU  86           HA       LEU  86  -4.899   1.625   1.625
  558   1HB   LEU  86          2HB       LEU  86  -5.142  -0.473  -0.473
  559   2HB   LEU  86          3HB       LEU  86  -6.642  -0.556  -0.556
  560    HG   LEU  86           HG       LEU  86  -3.895  -1.184  -1.184
  561   1HD1  LEU  86          1HD1      LEU  86  -5.548  -2.737  -2.737
  562   2HD1  LEU  86          2HD1      LEU  86  -5.693  -3.425  -3.425
  563   3HD1  LEU  86          3HD1      LEU  86  -4.089  -3.243  -3.243
  564   1HD2  LEU  86          2HD2      LEU  86  -6.354  -0.564  -0.564
  565   2HD2  LEU  86          3HD2      LEU  86  -4.795  -1.052  -1.052
  566   3HD2  LEU  86          1HD2      LEU  86  -5.993  -2.288  -2.288
  567    H    ALA  87           HN       ALA  87  -2.912   1.819   1.819
  568    HA   ALA  87           HA       ALA  87  -2.924   2.425   2.425
  569   1HB   ALA  87          2HB       ALA  87  -1.318   2.944   2.944
  570   2HB   ALA  87          3HB       ALA  87  -0.282   2.074   2.074
  571   3HB   ALA  87          1HB       ALA  87  -1.102   3.576   3.576
  572    H    GLY  88           HN       GLY  88  -1.691  -0.266  -0.266
  573   1HA   GLY  88          1HA       GLY  88  -2.108  -2.256  -2.256
  574   2HA   GLY  88          2HA       GLY  88  -0.465  -1.693  -1.693
  575    H    VAL  89           HN       VAL  89   0.859  -3.216  -3.216
  576    HA   VAL  89           HA       VAL  89   0.602  -3.600  -3.600
  577    HB   VAL  89           HB       VAL  89   0.377  -5.861  -5.861
  578   1HG1  VAL  89          2HG1      VAL  89   1.802  -5.904  -5.904
  579   2HG1  VAL  89          3HG1      VAL  89   0.236  -6.664  -6.664
  580   3HG1  VAL  89          1HG1      VAL  89   1.245  -7.304  -7.304
  581   1HG2  VAL  89          2HG2      VAL  89  -1.465  -4.614  -4.614
  582   2HG2  VAL  89          3HG2      VAL  89  -1.792  -5.145  -5.145
  583   3HG2  VAL  89          1HG2      VAL  89  -1.613  -6.350  -6.350
  584    H    ILE  90           HN       ILE  90   2.567  -2.429  -2.429
  585    HA   ILE  90           HA       ILE  90   4.807  -3.378  -3.378
  586    HB   ILE  90           HB       ILE  90   6.001  -1.539  -1.539
  587   1HG1  ILE  90          2HG1      ILE  90   3.738  -1.546  -1.546
  588   2HG1  ILE  90          3HG1      ILE  90   5.455  -1.329  -1.329
  589   1HG2  ILE  90          3HG2      ILE  90   4.227  -1.256  -1.256
  590   2HG2  ILE  90          1HG2      ILE  90   3.283  -0.411  -0.411
  591   3HG2  ILE  90          2HG2      ILE  90   4.894   0.191   0.191
  592   1HD1  ILE  90          1HD1      ILE  90   4.052   0.770   0.770
  593   2HD1  ILE  90          2HD1      ILE  90   3.740   0.734   0.734
  594   3HD1  ILE  90          3HD1      ILE  90   5.401   0.941   0.941
  595    H    THR  91           HN       THR  91   6.933  -3.841  -3.841
  596    HA   THR  91           HA       THR  91   6.749  -4.821  -4.821
  597    HB   THR  91           HB       THR  91   5.671  -6.761  -6.761
  598    HG1  THR  91           HG1      THR  91   7.373  -8.186  -8.186
  599   1HG2  THR  91          2HG2      THR  91   7.560  -6.680  -6.680
  600   2HG2  THR  91          3HG2      THR  91   6.271  -7.874  -7.874
  601   3HG2  THR  91          1HG2      THR  91   5.853  -6.175  -6.175
  602    H    HIS  92           HN       HIS  92   8.811  -5.485  -5.485
  603    HA   HIS  92           HA       HIS  92  10.914  -4.074  -4.074
  604   1HB   HIS  92          2HB       HIS  92  10.599  -5.539  -5.539
  605   2HB   HIS  92          3HB       HIS  92  12.201  -5.111  -5.111
  606    HD1  HIS  92           HD1      HIS  92  12.687  -3.305  -3.305
  607    HD2  HIS  92           HD2      HIS  92   9.136  -2.637  -2.637
  608    HE1  HIS  92           HE1      HIS  92  11.919  -0.950  -0.950
  609    HE2  HIS  92           HE2      HIS  92   9.764  -0.576  -0.576
  610    H    THR  93           HN       THR  93   9.634  -6.572  -6.572
  611    HA   THR  93           HA       THR  93  11.674  -8.576  -8.576
  612    HB   THR  93           HB       THR  93   9.049  -8.077  -8.077
  613    HG1  THR  93           HG1      THR  93   9.664  -9.297  -9.297
  614   1HG2  THR  93          3HG2      THR  93  10.677  -8.894  -8.894
  615   2HG2  THR  93          1HG2      THR  93  10.961 -10.328 -10.328
  616   3HG2  THR  93          2HG2      THR  93   9.338 -10.011 -10.011
  617    H    GLY  94           HN       GLY  94  13.585  -8.592  -8.592
  618   1HA   GLY  94          1HA       GLY  94  15.279  -7.670  -7.670
  619   2HA   GLY  94          2HA       GLY  94  14.265  -8.298  -8.298
  620    H    ALA  95           HN       ALA  95  13.652  -5.498  -5.498
  621    HA   ALA  95           HA       ALA  95  12.888  -3.879  -3.879
  622   1HB   ALA  95          2HB       ALA  95  11.808  -3.756  -3.756
  623   2HB   ALA  95          3HB       ALA  95  13.343  -3.204  -3.204
  624   3HB   ALA  95          1HB       ALA  95  12.497  -2.186  -2.186
  625    H    SER  96           HN       SER  96  15.863  -4.645  -4.645
  626    HA   SER  96           HA       SER  96  17.913  -4.107  -4.107
  627   1HB   SER  96          2HB       SER  96  16.854  -3.342  -3.342
  628   2HB   SER  96          3HB       SER  96  16.948  -1.716  -1.716
  629    HG   SER  96           HG       SER  96  19.272  -3.406  -3.406
  630    H    GLY  97           HN       GLY  97  16.768  -3.348  -3.348
  631   1HA   GLY  97          1HA       GLY  97  18.177  -1.902  -1.902
  632   2HA   GLY  97          2HA       GLY  97  17.725  -0.581  -0.581
  633    H    ASN  98           HN       ASN  98  16.375   0.709   0.709
  634    HA   ASN  98           HA       ASN  98  14.395  -0.613  -0.613
  635   1HB   ASN  98          2HB       ASN  98  15.623   1.222   1.222
  636   2HB   ASN  98          3HB       ASN  98  15.286   2.301   2.301
  637   1HD2  ASN  98          2HD2      ASN  98  11.876   1.129   1.129
  638   2HD2  ASN  98          1HD2      ASN  98  12.989  -0.005  -0.005
  639    H    ASN  99           HN       ASN  99  14.665   0.150   0.150
  640    HA   ASN  99           HA       ASN  99  12.522   1.826   1.826
  641   1HB   ASN  99          2HB       ASN  99  12.704   0.101   0.101
  642   2HB   ASN  99          3HB       ASN  99  13.581   1.604   1.604
  643   1HD2  ASN  99          2HD2      ASN  99  15.516  -1.769  -1.769
  644   2HD2  ASN  99          1HD2      ASN  99  13.870  -1.414  -1.414
  645    H    PHE 100           HN       PHE 100  10.717   0.665   0.665
  646    HA   PHE 100           HA       PHE 100   9.696  -1.701  -1.701
  647   1HB   PHE 100          2HB       PHE 100   8.424   0.994   0.994
  648   2HB   PHE 100          3HB       PHE 100   7.398  -0.426  -0.426
  649    HD1  PHE 100           HD2      PHE 100   7.817  -1.898  -1.898
  650    HD2  PHE 100           HD1      PHE 100   8.590   2.258   2.258
  651    HE1  PHE 100           HE2      PHE 100   7.634  -1.637  -1.637
  652    HE2  PHE 100           HE1      PHE 100   8.407   2.518   2.518
  653    HZ   PHE 100           HZ       PHE 100   7.931   0.567   0.567
  654    H    VAL 101           HN       VAL 101   7.854  -2.752  -2.752
  655    HA   VAL 101           HA       VAL 101   7.813  -2.168  -2.168
  656    HB   VAL 101           HB       VAL 101   8.771  -4.313  -4.313
  657   1HG1  VAL 101          3HG1      VAL 101  10.089  -2.151  -2.151
  658   2HG1  VAL 101          1HG1      VAL 101  10.808  -2.757  -2.757
  659   3HG1  VAL 101          2HG1      VAL 101  11.058  -3.645  -3.645
  660   1HG2  VAL 101          3HG2      VAL 101   8.441  -5.503  -5.503
  661   2HG2  VAL 101          1HG2      VAL 101  10.056  -5.719  -5.719
  662   3HG2  VAL 101          2HG2      VAL 101   9.830  -4.595  -4.595
  663    H    GLU 102           HN       GLU 102   5.911  -2.929  -2.929
  664    HA   GLU 102           HA       GLU 102   3.971  -3.831  -3.831
  665   1HB   GLU 102          2HB       GLU 102   2.976  -4.572  -4.572
  666   2HB   GLU 102          3HB       GLU 102   2.929  -2.935  -2.935
  667   1HG   GLU 102          2HG       GLU 102   4.810  -2.249  -2.249
  668   2HG   GLU 102          3HG       GLU 102   5.383  -3.891  -3.891
  669    H    CYS 103           HN       CYS 103   3.446  -5.827  -5.827
  670    HA   CYS 103           HA       CYS 103   5.105  -7.987  -7.987
  671   1HB   CYS 103          2HB       CYS 103   2.190  -8.023  -8.023
  672   2HB   CYS 103          3HB       CYS 103   3.353  -9.304  -9.304
  673    H    THR 104           HN       THR 104   3.355 -10.210 -10.210
  674    HA   THR 104           HA       THR 104   2.955  -9.798  -9.798
  675    HB   THR 104           HB       THR 104   3.486 -12.204 -12.204
  676    HG1  THR 104           HG1      THR 104   3.900 -13.303 -13.303
  677   1HG2  THR 104          1HG2      THR 104   5.386 -10.353 -10.353
  678   2HG2  THR 104          2HG2      THR 104   5.508 -11.422 -11.422
  679   3HG2  THR 104          3HG2      THR 104   5.765 -12.078 -12.078

  Start of MODEL   24
    1    H    ALA   1           HN       ALA   1  -7.643 -16.722 -16.722
    2    HA   ALA   1           HA       ALA   1  -6.930 -15.179 -15.179
    3   1HB   ALA   1          1HB       ALA   1  -9.344 -14.317 -14.317
    4   2HB   ALA   1          2HB       ALA   1  -8.831 -13.143 -13.143
    5   3HB   ALA   1          3HB       ALA   1  -8.075 -13.128 -13.128
    6    H    CYS   2           HN       CYS   2  -5.097 -13.857 -13.857
    7    HA   CYS   2           HA       CYS   2  -4.579 -12.819 -12.819
    8   1HB   CYS   2          2HB       CYS   2  -2.150 -13.612 -13.612
    9   2HB   CYS   2          3HB       CYS   2  -2.713 -13.987 -13.987
   10    H    ASP   3           HN       ASP   3  -5.713 -11.053 -11.053
   11    HA   ASP   3           HA       ASP   3  -4.654  -9.910  -9.910
   12   1HB   ASP   3          2HB       ASP   3  -5.460  -8.414  -8.414
   13   2HB   ASP   3          3HB       ASP   3  -5.341  -7.678  -7.678
   14    H    TYR   4           HN       TYR   4  -3.257  -9.976  -9.976
   15    HA   TYR   4           HA       TYR   4  -0.843  -8.699  -8.699
   16   1HB   TYR   4          2HB       TYR   4  -2.250  -8.281  -8.281
   17   2HB   TYR   4          3HB       TYR   4  -0.731  -7.530  -7.530
   18    HD1  TYR   4           HD2      TYR   4  -0.673  -5.726  -5.726
   19    HD2  TYR   4           HD1      TYR   4  -4.364  -7.432  -7.432
   20    HE1  TYR   4           HE2      TYR   4  -1.945  -3.753  -3.753
   21    HE2  TYR   4           HE1      TYR   4  -5.624  -5.452  -5.452
   22    HH   TYR   4           HH       TYR   4  -3.862  -2.796  -2.796
   23    H    THR   5           HN       THR   5   0.940  -9.931  -9.931
   24    HA   THR   5           HA       THR   5   0.924 -11.723 -11.723
   25    HB   THR   5           HB       THR   5   1.293 -12.397 -12.397
   26    HG1  THR   5           HG1      THR   5  -0.689 -12.630 -12.630
   27   1HG2  THR   5          3HG2      THR   5   3.260 -13.245 -13.245
   28   2HG2  THR   5          1HG2      THR   5   2.005 -14.323 -14.323
   29   3HG2  THR   5          2HG2      THR   5   2.437 -14.407 -14.407
   30    H    CYS   6           HN       CYS   6   2.436 -10.811 -10.811
   31    HA   CYS   6           HA       CYS   6   4.705  -9.543  -9.543
   32   1HB   CYS   6          2HB       CYS   6   3.707  -9.956  -9.956
   33   2HB   CYS   6          3HB       CYS   6   5.375  -9.486  -9.486
   34    H    GLY   7           HN       GLY   7   5.109 -11.783 -11.783
   35   1HA   GLY   7          1HA       GLY   7   6.799 -13.305 -13.305
   36   2HA   GLY   7          2HA       GLY   7   7.256 -13.089 -13.089
   37    H    SER   8           HN       SER   8   5.002 -13.660 -13.660
   38    HA   SER   8           HA       SER   8   3.890 -16.103 -16.103
   39   1HB   SER   8          2HB       SER   8   4.810 -17.582 -17.582
   40   2HB   SER   8          3HB       SER   8   6.167 -16.493 -16.493
   41    HG   SER   8           HG       SER   8   5.060 -15.282 -15.282
   42    H    ASN   9           HN       ASN   9   2.531 -13.748 -13.748
   43    HA   ASN   9           HA       ASN   9   1.130 -14.196 -14.196
   44   1HB   ASN   9          2HB       ASN   9   1.361 -11.546 -11.546
   45   2HB   ASN   9          3HB       ASN   9   0.605 -11.777 -11.777
   46   1HD2  ASN   9          2HD2      ASN   9   4.734 -12.115 -12.115
   47   2HD2  ASN   9          1HD2      ASN   9   3.673 -12.595 -12.595
   48    H    CYS  10           HN       CYS  10  -1.109 -12.509 -12.509
   49    HA   CYS  10           HA       CYS  10  -2.115 -12.823 -12.823
   50   1HB   CYS  10          2HB       CYS  10  -2.206 -15.199 -15.199
   51   2HB   CYS  10          3HB       CYS  10  -3.214 -14.785 -14.785
   52    H    TYR  11           HN       TYR  11  -2.264 -10.514 -10.514
   53    HA   TYR  11           HA       TYR  11  -4.220 -10.033 -10.033
   54   1HB   TYR  11          2HB       TYR  11  -2.841  -8.087  -8.087
   55   2HB   TYR  11          3HB       TYR  11  -3.415  -7.727  -7.727
   56    HD1  TYR  11           HD1      TYR  11  -2.241  -9.067  -9.067
   57    HD2  TYR  11           HD2      TYR  11  -0.575  -8.529  -8.529
   58    HE1  TYR  11           HE1      TYR  11   0.084  -9.528  -9.528
   59    HE2  TYR  11           HE2      TYR  11   1.744  -8.991  -8.991
   60    HH   TYR  11           HH       TYR  11   2.892  -8.859  -8.859
   61    H    SER  12           HN       SER  12  -5.393 -11.447 -11.447
   62    HA   SER  12           HA       SER  12  -6.392 -10.457 -10.457
   63   1HB   SER  12          2HB       SER  12  -8.806 -11.102 -11.102
   64   2HB   SER  12          3HB       SER  12  -7.798 -12.183 -12.183
   65    HG   SER  12           HG       SER  12  -7.073 -11.670 -11.670
   66    H    SER  13           HN       SER  13  -8.091  -8.984  -8.984
   67    HA   SER  13           HA       SER  13  -7.970  -6.497  -6.497
   68   1HB   SER  13          2HB       SER  13  -9.864  -6.046  -6.046
   69   2HB   SER  13          3HB       SER  13  -9.327  -7.585  -7.585
   70    HG   SER  13           HG       SER  13 -11.194  -8.441  -8.441
   71    H    SER  14           HN       SER  14  -9.532  -9.137  -9.137
   72    HA   SER  14           HA       SER  14 -11.170  -7.417  -7.417
   73   1HB   SER  14          2HB       SER  14 -11.869  -9.736  -9.736
   74   2HB   SER  14          3HB       SER  14 -10.504 -10.379 -10.379
   75    HG   SER  14           HG       SER  14 -11.761 -10.334 -10.334
   76    H    ASP  15           HN       ASP  15  -7.907  -8.693  -8.693
   77    HA   ASP  15           HA       ASP  15  -7.606  -8.428  -8.428
   78   1HB   ASP  15          2HB       ASP  15  -6.004  -9.375  -9.375
   79   2HB   ASP  15          3HB       ASP  15  -5.043  -8.544  -8.544
   80    H    VAL  16           HN       VAL  16  -7.003  -6.605  -6.605
   81    HA   VAL  16           HA       VAL  16  -5.198  -4.725  -4.725
   82    HB   VAL  16           HB       VAL  16  -7.149  -4.761  -4.761
   83   1HG1  VAL  16          2HG1      VAL  16  -6.514  -2.406  -2.406
   84   2HG1  VAL  16          3HG1      VAL  16  -5.032  -2.653  -2.653
   85   3HG1  VAL  16          1HG1      VAL  16  -6.619  -2.639  -2.639
   86   1HG2  VAL  16          3HG2      VAL  16  -4.391  -5.603  -5.603
   87   2HG2  VAL  16          1HG2      VAL  16  -5.501  -5.979  -5.979
   88   3HG2  VAL  16          2HG2      VAL  16  -4.536  -4.483  -4.483
   89    H    SER  17           HN       SER  17  -8.733  -4.263  -4.263
   90    HA   SER  17           HA       SER  17  -9.080  -1.893  -1.893
   91   1HB   SER  17          2HB       SER  17 -10.850  -3.199  -3.199
   92   2HB   SER  17          3HB       SER  17 -10.969  -4.278  -4.278
   93    HG   SER  17           HG       SER  17 -12.618  -2.592  -2.592
   94    H    THR  18           HN       THR  18  -9.294  -5.085  -5.085
   95    HA   THR  18           HA       THR  18  -9.913  -4.231  -4.231
   96    HB   THR  18           HB       THR  18  -8.306  -6.490  -6.490
   97    HG1  THR  18           HG1      THR  18 -10.773  -6.096  -6.096
   98   1HG2  THR  18          3HG2      THR  18  -8.079  -5.540  -5.540
   99   2HG2  THR  18          1HG2      THR  18  -8.676  -7.212  -7.212
  100   3HG2  THR  18          2HG2      THR  18  -7.110  -6.763  -6.763
  101    H    ALA  19           HN       ALA  19  -6.584  -4.393  -4.393
  102    HA   ALA  19           HA       ALA  19  -5.309  -3.410  -3.410
  103   1HB   ALA  19          2HB       ALA  19  -4.537  -4.452  -4.452
  104   2HB   ALA  19          3HB       ALA  19  -4.193  -2.728  -2.728
  105   3HB   ALA  19          1HB       ALA  19  -3.439  -3.571  -3.571
  106    H    GLN  20           HN       GLN  20  -6.750  -1.774  -1.774
  107    HA   GLN  20           HA       GLN  20  -5.846   0.752   0.752
  108   1HB   GLN  20          2HB       GLN  20  -8.600   0.376   0.376
  109   2HB   GLN  20          3HB       GLN  20  -7.331   1.478   1.478
  110   1HG   GLN  20          2HG       GLN  20  -5.984  -0.506  -0.506
  111   2HG   GLN  20          3HG       GLN  20  -7.332  -1.550  -1.550
  112   1HE2  GLN  20          2HE2      GLN  20  -8.122   1.359   1.359
  113   2HE2  GLN  20          1HE2      GLN  20  -7.329   1.730   1.730
  114    H    ALA  21           HN       ALA  21  -9.083  -0.714  -0.714
  115    HA   ALA  21           HA       ALA  21 -10.329   1.194   1.194
  116   1HB   ALA  21          3HB       ALA  21 -10.336  -1.629  -1.629
  117   2HB   ALA  21          1HB       ALA  21 -10.307  -1.146  -1.146
  118   3HB   ALA  21          2HB       ALA  21 -11.595  -0.546  -0.546
  119    H    ALA  22           HN       ALA  22  -7.387  -0.485  -0.485
  120    HA   ALA  22           HA       ALA  22  -7.464   0.817   0.817
  121   1HB   ALA  22          2HB       ALA  22  -6.390  -1.453  -1.453
  122   2HB   ALA  22          3HB       ALA  22  -5.031  -0.454  -0.454
  123   3HB   ALA  22          1HB       ALA  22  -5.509  -0.414  -0.414
  124    H    GLY  23           HN       GLY  23  -5.394   1.116   1.116
  125   1HA   GLY  23          1HA       GLY  23  -3.951   3.353   3.353
  126   2HA   GLY  23          2HA       GLY  23  -4.172   2.832   2.832
  127    H    TYR  24           HN       TYR  24  -7.019   3.033   3.033
  128    HA   TYR  24           HA       TYR  24  -7.254   5.791   5.791
  129   1HB   TYR  24          2HB       TYR  24  -8.392   3.478   3.478
  130   2HB   TYR  24          3HB       TYR  24  -9.572   3.839   3.839
  131    HD1  TYR  24           HD2      TYR  24  -8.018   5.163   5.163
  132    HD2  TYR  24           HD1      TYR  24 -11.276   5.460   5.460
  133    HE1  TYR  24           HE2      TYR  24  -9.241   6.714   6.714
  134    HE2  TYR  24           HE1      TYR  24 -12.488   7.011   7.011
  135    HH   TYR  24           HH       TYR  24 -12.435   7.345   7.345
  136    H    LYS  25           HN       LYS  25  -9.098   3.665   3.665
  137    HA   LYS  25           HA       LYS  25 -10.600   5.513   5.513
  138   1HB   LYS  25          2HB       LYS  25 -10.707   3.142   3.142
  139   2HB   LYS  25          3HB       LYS  25  -9.123   3.182   3.182
  140   1HG   LYS  25          2HG       LYS  25 -10.741   3.282   3.282
  141   2HG   LYS  25          3HG       LYS  25 -10.026   4.878   4.878
  142   1HD   LYS  25          2HD       LYS  25 -11.959   5.729   5.729
  143   2HD   LYS  25          3HD       LYS  25 -12.636   4.120   4.120
  144   1HE   LYS  25          2HE       LYS  25 -12.344   4.295   4.295
  145   2HE   LYS  25          3HE       LYS  25 -12.662   5.970   5.970
  146   1HZ   LYS  25          2HZ       LYS  25 -14.394   4.294   4.294
  147   2HZ   LYS  25          3HZ       LYS  25 -14.487   3.940   3.940
  148   3HZ   LYS  25          1HZ       LYS  25 -14.760   5.466   5.466
  149    H    LEU  26           HN       LEU  26  -7.275   4.605   4.605
  150    HA   LEU  26           HA       LEU  26  -7.105   6.669   6.669
  151   1HB   LEU  26          2HB       LEU  26  -5.673   4.760   4.760
  152   2HB   LEU  26          3HB       LEU  26  -5.003   5.101   5.101
  153    HG   LEU  26           HG       LEU  26  -4.351   7.402   7.402
  154   1HD1  LEU  26          2HD1      LEU  26  -5.368   6.425   6.425
  155   2HD1  LEU  26          3HD1      LEU  26  -3.982   5.309   5.309
  156   3HD1  LEU  26          1HD1      LEU  26  -3.713   7.066   7.066
  157   1HD2  LEU  26          2HD2      LEU  26  -3.016   4.973   4.973
  158   2HD2  LEU  26          3HD2      LEU  26  -2.446   6.659   6.659
  159   3HD2  LEU  26          1HD2      LEU  26  -2.226   5.679   5.679
  160    H    HIS  27           HN       HIS  27  -6.566   6.583   6.583
  161    HA   HIS  27           HA       HIS  27  -5.194   9.036   9.036
  162   1HB   HIS  27          2HB       HIS  27  -4.994   7.436   7.436
  163   2HB   HIS  27          3HB       HIS  27  -6.725   7.425   7.425
  164    HD1  HIS  27           HD1      HIS  27  -3.989  10.132  10.132
  165    HD2  HIS  27           HD2      HIS  27  -7.368   8.933   8.933
  166    HE1  HIS  27           HE1      HIS  27  -4.193  11.757  11.757
  167    HE2  HIS  27           HE2      HIS  27  -6.255  10.937  10.937
  168    H    GLU  28           HN       GLU  28  -8.656   8.104   8.104
  169    HA   GLU  28           HA       GLU  28  -9.552  10.617  10.617
  170   1HB   GLU  28          2HB       GLU  28 -11.552   9.184   9.184
  171   2HB   GLU  28          3HB       GLU  28 -11.503   9.496   9.496
  172   1HG   GLU  28          2HG       GLU  28  -9.996   7.536   7.536
  173   2HG   GLU  28          3HG       GLU  28 -10.000   7.233   7.233
  174    H    ASP  29           HN       ASP  29  -8.592   9.212   9.212
  175    HA   ASP  29           HA       ASP  29  -9.939  11.263  11.263
  176   1HB   ASP  29          2HB       ASP  29  -8.174   8.892   8.892
  177   2HB   ASP  29          3HB       ASP  29  -8.464  10.122  10.122
  178    H    GLY  30           HN       GLY  30  -6.938  10.718  10.718
  179   1HA   GLY  30          1HA       GLY  30  -5.154  12.075  12.075
  180   2HA   GLY  30          2HA       GLY  30  -5.886  13.260  13.260
  181    H    GLU  31           HN       GLU  31  -5.543   9.926   9.926
  182    HA   GLU  31           HA       GLU  31  -3.534  10.907  10.907
  183   1HB   GLU  31          2HB       GLU  31  -5.512   8.600   8.600
  184   2HB   GLU  31          3HB       GLU  31  -4.195   8.750   8.750
  185   1HG   GLU  31          2HG       GLU  31  -6.198  10.992  10.992
  186   2HG   GLU  31          3HG       GLU  31  -6.430   9.782   9.782
  187    H    THR  32           HN       THR  32  -2.169   8.750   8.750
  188    HA   THR  32           HA       THR  32  -1.202   7.418   7.418
  189    HB   THR  32           HB       THR  32   1.115   7.725   7.725
  190    HG1  THR  32           HG1      THR  32   1.101   9.326   9.326
  191   1HG2  THR  32          3HG2      THR  32  -0.539   9.757   9.757
  192   2HG2  THR  32          1HG2      THR  32   0.542  10.520  10.520
  193   3HG2  THR  32          2HG2      THR  32   1.222   9.523   9.523
  194    H    VAL  33           HN       VAL  33   0.275   5.486   5.486
  195    HA   VAL  33           HA       VAL  33  -1.048   4.119   4.119
  196    HB   VAL  33           HB       VAL  33  -0.818   2.070   2.070
  197   1HG1  VAL  33          2HG1      VAL  33  -2.577   4.104   4.104
  198   2HG1  VAL  33          3HG1      VAL  33  -1.946   3.646   3.646
  199   3HG1  VAL  33          1HG1      VAL  33  -2.705   2.418   2.418
  200   1HG2  VAL  33          2HG2      VAL  33   1.306   2.619   2.619
  201   2HG2  VAL  33          3HG2      VAL  33   0.073   1.958   1.958
  202   3HG2  VAL  33          1HG2      VAL  33   0.408   3.707   3.707
  203    H    GLY  34           HN       GLY  34   0.267   3.641   3.641
  204   1HA   GLY  34          1HA       GLY  34   2.131   2.903   2.903
  205   2HA   GLY  34          2HA       GLY  34   2.974   2.764   2.764
  206    H    SER  35           HN       SER  35   4.887   3.852   3.852
  207    HA   SER  35           HA       SER  35   4.583   6.518   6.518
  208   1HB   SER  35          2HB       SER  35   7.121   4.892   4.892
  209   2HB   SER  35          3HB       SER  35   7.015   6.401   6.401
  210    HG   SER  35           HG       SER  35   5.741   3.901   3.901
  211    H    ASN  36           HN       ASN  36   5.165   4.784   4.784
  212    HA   ASN  36           HA       ASN  36   6.750   6.697   6.697
  213   1HB   ASN  36          2HB       ASN  36   5.269   4.234   4.234
  214   2HB   ASN  36          3HB       ASN  36   5.240   5.409   5.409
  215   1HD2  ASN  36          2HD2      ASN  36   8.208   3.629   3.629
  216   2HD2  ASN  36          1HD2      ASN  36   6.483   3.635   3.635
  217    H    SER  37           HN       SER  37   5.316   7.150   7.150
  218    HA   SER  37           HA       SER  37   3.043   8.711   8.711
  219   1HB   SER  37          2HB       SER  37   3.675  10.570  10.570
  220   2HB   SER  37          3HB       SER  37   5.171  10.046  10.046
  221    HG   SER  37           HG       SER  37   4.272   9.523   9.523
  222    H    TYR  38           HN       TYR  38   2.634   6.122   6.122
  223    HA   TYR  38           HA       TYR  38   1.915   6.346   6.346
  224   1HB   TYR  38          2HB       TYR  38   2.179   4.071   4.071
  225   2HB   TYR  38          3HB       TYR  38   1.614   3.792   3.792
  226    HD1  TYR  38           HD2      TYR  38   4.418   5.948   5.948
  227    HD2  TYR  38           HD1      TYR  38   3.267   2.530   2.530
  228    HE1  TYR  38           HE2      TYR  38   6.819   5.659   5.659
  229    HE2  TYR  38           HE1      TYR  38   5.672   2.253   2.253
  230    HH   TYR  38           HH       TYR  38   8.074   4.684   4.684
  231    HA   PRO  39           HA       PRO  39   0.755   5.285   5.285
  232   1HB   PRO  39          2HB       PRO  39  -1.181   6.104   6.104
  233   2HB   PRO  39          3HB       PRO  39  -1.073   4.466   4.466
  234   1HG   PRO  39          2HG       PRO  39  -2.972   6.603   6.603
  235   2HG   PRO  39          3HG       PRO  39  -3.102   4.875   4.875
  236   1HD   PRO  39          2HD       PRO  39  -2.403   6.864   6.864
  237   2HD   PRO  39          3HD       PRO  39  -2.420   5.127   5.127
  238    H    HIS  40           HN       HIS  40   0.502   6.866   6.866
  239    HA   HIS  40           HA       HIS  40   0.503   9.554   9.554
  240   1HB   HIS  40          2HB       HIS  40   2.819  10.179  10.179
  241   2HB   HIS  40          3HB       HIS  40   2.340   9.147   9.147
  242    HD1  HIS  40           HD1      HIS  40   4.147   8.816   8.816
  243    HD2  HIS  40           HD2      HIS  40   4.035   7.042   7.042
  244    HE1  HIS  40           HE1      HIS  40   6.018   7.082   7.082
  245    HE2  HIS  40           HE2      HIS  40   5.935   6.064   6.064
  246    H    LYS  41           HN       LYS  41   1.521  10.790  10.790
  247    HA   LYS  41           HA       LYS  41   0.773   9.809   9.809
  248   1HB   LYS  41          2HB       LYS  41   2.094  12.085  12.085
  249   2HB   LYS  41          3HB       LYS  41   3.175  11.439  11.439
  250   1HG   LYS  41          2HG       LYS  41   1.143  11.247  11.247
  251   2HG   LYS  41          3HG       LYS  41   0.225  12.132  12.132
  252   1HD   LYS  41          2HD       LYS  41   2.828  13.192  13.192
  253   2HD   LYS  41          3HD       LYS  41   1.261  13.535  13.535
  254   1HE   LYS  41          2HE       LYS  41   1.087  14.059  14.059
  255   2HE   LYS  41          3HE       LYS  41   2.536  14.840  14.840
  256   1HZ   LYS  41          2HZ       LYS  41   0.085  15.109  15.109
  257   2HZ   LYS  41          3HZ       LYS  41   0.250  15.995  15.995
  258   3HZ   LYS  41          1HZ       LYS  41   1.332  16.153  16.153
  259    H    TYR  42           HN       TYR  42   2.133   9.156   9.156
  260    HA   TYR  42           HA       TYR  42   4.504   7.634   7.634
  261   1HB   TYR  42          2HB       TYR  42   2.580   6.074   6.074
  262   2HB   TYR  42          3HB       TYR  42   1.868   6.603   6.603
  263    HD1  TYR  42           HD1      TYR  42   2.808   5.864   5.864
  264    HD2  TYR  42           HD2      TYR  42   4.390   4.455   4.455
  265    HE1  TYR  42           HE1      TYR  42   4.000   3.976   3.976
  266    HE2  TYR  42           HE2      TYR  42   5.576   2.571   2.571
  267    HH   TYR  42           HH       TYR  42   6.337   1.994   1.994
  268    H    ASN  43           HN       ASN  43   3.260   9.986   9.986
  269    HA   ASN  43           HA       ASN  43   3.135  10.013  10.013
  270   1HB   ASN  43          2HB       ASN  43   5.333  11.238  11.238
  271   2HB   ASN  43          3HB       ASN  43   5.661  11.193  11.193
  272   1HD2  ASN  43          2HD2      ASN  43   2.338  13.252  13.252
  273   2HD2  ASN  43          1HD2      ASN  43   2.938  11.836  11.836
  274    H    ASN  44           HN       ASN  44   3.335   7.758   7.758
  275    HA   ASN  44           HA       ASN  44   5.586   6.261   6.261
  276   1HB   ASN  44          2HB       ASN  44   4.585   4.983   4.983
  277   2HB   ASN  44          3HB       ASN  44   3.241   5.651   5.651
  278   1HD2  ASN  44          2HD2      ASN  44   4.111   6.856   6.856
  279   2HD2  ASN  44          1HD2      ASN  44   5.206   5.917   5.917
  280    H    TYR  45           HN       TYR  45   7.069   5.737   5.737
  281    HA   TYR  45           HA       TYR  45   7.357   7.667   7.667
  282   1HB   TYR  45          2HB       TYR  45   8.881   7.801   7.801
  283   2HB   TYR  45          3HB       TYR  45   9.851   8.013   8.013
  284    HD1  TYR  45           HD1      TYR  45   6.873   9.247   9.247
  285    HD2  TYR  45           HD2      TYR  45   9.915  10.209  10.209
  286    HE1  TYR  45           HE1      TYR  45   6.197  11.696  11.696
  287    HE2  TYR  45           HE2      TYR  45   9.228  12.654  12.654
  288    HH   TYR  45           HH       TYR  45   6.367  13.673  13.673
  289    H    GLU  46           HN       GLU  46   8.812   5.094   5.094
  290    HA   GLU  46           HA       GLU  46  10.858   4.295   4.295
  291   1HB   GLU  46          2HB       GLU  46   8.812   2.667   2.667
  292   2HB   GLU  46          3HB       GLU  46  10.196   1.904   1.904
  293   1HG   GLU  46          2HG       GLU  46  10.153   3.108   3.108
  294   2HG   GLU  46          3HG       GLU  46  11.582   2.598   2.598
  295    H    GLY  47           HN       GLY  47   7.533   4.388   4.388
  296   1HA   GLY  47          1HA       GLY  47   7.051   4.197   4.197
  297   2HA   GLY  47          2HA       GLY  47   8.208   2.887   2.887
  298    H    PHE  48           HN       PHE  48   5.481   3.597   3.597
  299    HA   PHE  48           HA       PHE  48   4.624   0.836   0.836
  300   1HB   PHE  48          2HB       PHE  48   4.010   3.138   3.138
  301   2HB   PHE  48          3HB       PHE  48   3.126   1.626   1.626
  302    HD1  PHE  48           HD2      PHE  48   5.068  -0.443  -0.443
  303    HD2  PHE  48           HD1      PHE  48   5.459   3.286   3.286
  304    HE1  PHE  48           HE2      PHE  48   6.844  -1.419  -1.419
  305    HE2  PHE  48           HE1      PHE  48   7.234   2.311   2.311
  306    HZ   PHE  48           HZ       PHE  48   7.905  -0.030  -0.030
  307    H    ASP  49           HN       ASP  49   2.628   0.254   0.254
  308    HA   ASP  49           HA       ASP  49   1.168   2.472   2.472
  309   1HB   ASP  49          2HB       ASP  49   0.604  -0.409  -0.409
  310   2HB   ASP  49          3HB       ASP  49   0.499   1.009   1.009
  311    H    PHE  50           HN       PHE  50   0.533   2.443   2.443
  312    HA   PHE  50           HA       PHE  50  -1.117   0.510   0.510
  313   1HB   PHE  50          2HB       PHE  50  -1.133   3.577   3.577
  314   2HB   PHE  50          3HB       PHE  50  -1.971   2.523   2.523
  315    HD1  PHE  50           HD1      PHE  50   0.465   0.430   0.430
  316    HD2  PHE  50           HD2      PHE  50   0.092   4.511   4.511
  317    HE1  PHE  50           HE1      PHE  50   2.548   0.245   0.245
  318    HE2  PHE  50           HE2      PHE  50   2.176   4.327   4.327
  319    HZ   PHE  50           HZ       PHE  50   3.379   2.196   2.196
  320    H    SER  51           HN       SER  51  -3.080  -0.266  -0.266
  321    HA   SER  51           HA       SER  51  -4.484   0.838   0.838
  322   1HB   SER  51          2HB       SER  51  -6.233  -0.802  -0.802
  323   2HB   SER  51          3HB       SER  51  -4.645  -1.535  -1.535
  324    HG   SER  51           HG       SER  51  -6.512  -0.944  -0.944
  325    H    VAL  52           HN       VAL  52  -4.055   2.150   2.150
  326    HA   VAL  52           HA       VAL  52  -6.764   3.279   3.279
  327    HB   VAL  52           HB       VAL  52  -6.363   3.736   3.736
  328   1HG1  VAL  52          3HG1      VAL  52  -7.114   1.440   1.440
  329   2HG1  VAL  52          1HG1      VAL  52  -5.430   0.899   0.899
  330   3HG1  VAL  52          2HG1      VAL  52  -6.342   1.509   1.509
  331   1HG2  VAL  52          3HG2      VAL  52  -3.542   2.908   2.908
  332   2HG2  VAL  52          1HG2      VAL  52  -4.133   4.326   4.326
  333   3HG2  VAL  52          2HG2      VAL  52  -4.177   2.712   2.712
  334    H    SER  53           HN       SER  53  -6.989   5.588   5.588
  335    HA   SER  53           HA       SER  53  -4.879   6.966   6.966
  336   1HB   SER  53          2HB       SER  53  -7.504   8.076   8.076
  337   2HB   SER  53          3HB       SER  53  -6.459   8.839   8.839
  338    HG   SER  53           HG       SER  53  -8.382   6.855   6.855
  339    H    SER  54           HN       SER  54  -4.684   9.465   9.465
  340    HA   SER  54           HA       SER  54  -3.508   9.000   9.000
  341   1HB   SER  54          2HB       SER  54  -2.738  11.436  11.436
  342   2HB   SER  54          3HB       SER  54  -2.115  10.248  10.248
  343    HG   SER  54           HG       SER  54  -3.060  12.385  12.385
  344    HA   PRO  55           HA       PRO  55  -2.726  10.890  10.890
  345   1HB   PRO  55          2HB       PRO  55  -2.658  11.256  11.256
  346   2HB   PRO  55          3HB       PRO  55  -2.667  12.581  12.581
  347   1HG   PRO  55          2HG       PRO  55  -4.868  11.596  11.596
  348   2HG   PRO  55          3HG       PRO  55  -4.718  13.139  13.139
  349   1HD   PRO  55          2HD       PRO  55  -6.347  10.923  10.923
  350   2HD   PRO  55          3HD       PRO  55  -6.107  12.422  12.422
  351    H    TYR  56           HN       TYR  56  -1.136   9.652   9.652
  352    HA   TYR  56           HA       TYR  56  -2.377   7.005   7.005
  353   1HB   TYR  56          2HB       TYR  56   0.384   8.039   8.039
  354   2HB   TYR  56          3HB       TYR  56   0.165   6.371   6.371
  355    HD1  TYR  56           HD1      TYR  56  -2.783   6.403   6.403
  356    HD2  TYR  56           HD2      TYR  56   1.170   7.257   7.257
  357    HE1  TYR  56           HE1      TYR  56  -3.483   5.802   5.802
  358    HE2  TYR  56           HE2      TYR  56   0.456   6.654   6.654
  359    HH   TYR  56           HH       TYR  56  -1.157   6.033   6.033
  360    H    TYR  57           HN       TYR  57  -2.388   6.198   6.198
  361    HA   TYR  57           HA       TYR  57  -0.598   7.503   7.503
  362   1HB   TYR  57          2HB       TYR  57  -3.227   5.920   5.920
  363   2HB   TYR  57          3HB       TYR  57  -2.402   6.733   6.733
  364    HD1  TYR  57           HD2      TYR  57  -1.750   9.098   9.098
  365    HD2  TYR  57           HD1      TYR  57  -5.238   7.260   7.260
  366    HE1  TYR  57           HE2      TYR  57  -3.090  11.207  11.207
  367    HE2  TYR  57           HE1      TYR  57  -6.567   9.375   9.375
  368    HH   TYR  57           HH       TYR  57  -4.980  12.288  12.288
  369    H    GLU  58           HN       GLU  58   1.090   6.296   6.296
  370    HA   GLU  58           HA       GLU  58   1.145   3.531   3.531
  371   1HB   GLU  58          2HB       GLU  58   3.414   3.587   3.587
  372   2HB   GLU  58          3HB       GLU  58   3.157   5.019   5.019
  373   1HG   GLU  58          2HG       GLU  58   4.218   5.844   5.844
  374   2HG   GLU  58          3HG       GLU  58   2.525   6.235   6.235
  375    H    TRP  59           HN       TRP  59   0.999   1.744   1.744
  376    HA   TRP  59           HA       TRP  59   0.823   2.157   2.157
  377   1HB   TRP  59          2HB       TRP  59  -1.402   2.841   2.841
  378   2HB   TRP  59          3HB       TRP  59  -1.658   1.515   1.515
  379    HD1  TRP  59           HD1      TRP  59  -2.595  -0.735  -0.735
  380    HE1  TRP  59           HE1      TRP  59  -3.266  -1.621  -1.621
  381    HE3  TRP  59           HE3      TRP  59  -0.585   3.157   3.157
  382    HZ2  TRP  59           HZ2      TRP  59  -2.889  -0.618  -0.618
  383    HZ3  TRP  59           HZ3      TRP  59  -0.780   3.128   3.128
  384    HH2  TRP  59           HH2      TRP  59  -1.885   1.326   1.326
  385    HA   PRO  60           HA       PRO  60   2.317  -1.900  -1.900
  386   1HB   PRO  60          2HB       PRO  60   2.411  -2.682  -2.682
  387   2HB   PRO  60          3HB       PRO  60   3.659  -1.711  -1.711
  388   1HG   PRO  60          2HG       PRO  60   1.554  -0.872  -0.872
  389   2HG   PRO  60          3HG       PRO  60   3.038  -0.045  -0.045
  390   1HD   PRO  60          2HD       PRO  60   0.393   0.595   0.595
  391   2HD   PRO  60          3HD       PRO  60   1.888   1.347   1.347
  392    H    ILE  61           HN       ILE  61   1.606  -3.918  -3.918
  393    HA   ILE  61           HA       ILE  61  -1.145  -4.377  -4.377
  394    HB   ILE  61           HB       ILE  61  -0.662  -4.073  -4.073
  395   1HG1  ILE  61          2HG1      ILE  61  -1.932  -6.680  -6.680
  396   2HG1  ILE  61          3HG1      ILE  61  -2.715  -5.112  -5.112
  397   1HG2  ILE  61          2HG2      ILE  61   1.463  -5.298  -5.298
  398   2HG2  ILE  61          3HG2      ILE  61   0.603  -6.811  -6.811
  399   3HG2  ILE  61          1HG2      ILE  61   0.273  -5.956  -5.956
  400   1HD1  ILE  61          1HD1      ILE  61  -1.561  -5.480  -5.480
  401   2HD1  ILE  61          2HD1      ILE  61  -2.429  -6.975  -6.975
  402   3HD1  ILE  61          3HD1      ILE  61  -3.285  -5.414  -5.414
  403    H    LEU  62           HN       LEU  62  -1.249  -5.726  -5.726
  404    HA   LEU  62           HA       LEU  62   0.897  -7.636  -7.636
  405   1HB   LEU  62          2HB       LEU  62  -1.486  -7.004  -7.004
  406   2HB   LEU  62          3HB       LEU  62  -0.104  -7.990  -7.990
  407    HG   LEU  62           HG       LEU  62   0.057  -5.041  -5.041
  408   1HD1  LEU  62          3HD1      LEU  62  -0.180  -6.432  -6.432
  409   2HD1  LEU  62          1HD1      LEU  62   0.414  -4.766  -4.766
  410   3HD1  LEU  62          2HD1      LEU  62  -1.242  -5.184  -5.184
  411   1HD2  LEU  62          1HD2      LEU  62   2.109  -6.513  -6.513
  412   2HD2  LEU  62          2HD2      LEU  62   2.296  -5.094  -5.094
  413   3HD2  LEU  62          3HD2      LEU  62   2.119  -6.716  -6.716
  414    H    SER  63           HN       SER  63   0.802  -9.627  -9.627
  415    HA   SER  63           HA       SER  63  -1.418 -10.542 -10.542
  416   1HB   SER  63          2HB       SER  63   0.828 -11.381 -11.381
  417   2HB   SER  63          3HB       SER  63   0.975 -12.039 -12.039
  418    HG   SER  63           HG       SER  63   0.388 -13.606 -13.606
  419    H    SER  64           HN       SER  64  -0.803 -10.347 -10.347
  420    HA   SER  64           HA       SER  64  -2.251 -12.672 -12.672
  421   1HB   SER  64          2HB       SER  64  -1.874 -10.375 -10.375
  422   2HB   SER  64          3HB       SER  64  -1.724 -12.097 -12.097
  423    HG   SER  64           HG       SER  64   0.329 -10.793 -10.793
  424    H    GLY  65           HN       GLY  65  -3.037  -9.461  -9.461
  425   1HA   GLY  65          1HA       GLY  65  -5.114  -8.638  -8.638
  426   2HA   GLY  65          2HA       GLY  65  -5.857  -9.960  -9.960
  427    H    ASP  66           HN       ASP  66  -3.284  -7.744  -7.744
  428    HA   ASP  66           HA       ASP  66  -5.202  -6.924  -6.924
  429   1HB   ASP  66          2HB       ASP  66  -2.164  -7.111  -7.111
  430   2HB   ASP  66          3HB       ASP  66  -3.005  -6.196  -6.196
  431    H    VAL  67           HN       VAL  67  -4.062  -4.600  -4.600
  432    HA   VAL  67           HA       VAL  67  -3.857  -2.896  -2.896
  433    HB   VAL  67           HB       VAL  67  -5.269  -2.568  -2.568
  434   1HG1  VAL  67          3HG1      VAL  67  -4.078  -0.405  -0.405
  435   2HG1  VAL  67          1HG1      VAL  67  -5.616  -0.119  -0.119
  436   3HG1  VAL  67          2HG1      VAL  67  -4.153  -0.536  -0.536
  437   1HG2  VAL  67          3HG2      VAL  67  -5.984  -2.780  -2.780
  438   2HG2  VAL  67          1HG2      VAL  67  -6.954  -3.107  -3.107
  439   3HG2  VAL  67          2HG2      VAL  67  -6.798  -1.443  -1.443
  440    H    TYR  68           HN       TYR  68  -1.668  -2.622  -2.622
  441    HA   TYR  68           HA       TYR  68   0.337  -2.787  -2.787
  442   1HB   TYR  68          2HB       TYR  68   0.577  -2.144  -2.144
  443   2HB   TYR  68          3HB       TYR  68  -0.348  -0.676  -0.676
  444    HD1  TYR  68           HD1      TYR  68   2.638  -2.175  -2.175
  445    HD2  TYR  68           HD2      TYR  68   0.971   1.202   1.202
  446    HE1  TYR  68           HE1      TYR  68   4.790  -0.875  -0.875
  447    HE2  TYR  68           HE2      TYR  68   3.128   2.490   2.490
  448    HH   TYR  68           HH       TYR  68   5.367   2.152   2.152
  449    H    SER  69           HN       SER  69   1.051  -1.869  -1.869
  450    HA   SER  69           HA       SER  69  -0.294   0.598   0.598
  451   1HB   SER  69          2HB       SER  69  -0.176  -0.085  -0.085
  452   2HB   SER  69          3HB       SER  69  -0.535  -1.576  -1.576
  453    HG   SER  69           HG       SER  69   1.637  -0.962  -0.962
  454    H    GLY  70           HN       GLY  70   1.801   0.916   0.916
  455   1HA   GLY  70          1HA       GLY  70   3.612   2.265   2.265
  456   2HA   GLY  70          2HA       GLY  70   3.664   2.451   2.451
  457    H    GLY  71           HN       GLY  71   5.772   1.778   1.778
  458   1HA   GLY  71          1HA       GLY  71   7.618   0.436   0.436
  459   2HA   GLY  71          2HA       GLY  71   6.635  -0.889  -0.889
  460    H    SER  72           HN       SER  72   8.153  -1.752  -1.752
  461    HA   SER  72           HA       SER  72   8.627  -0.021  -0.021
  462   1HB   SER  72          2HB       SER  72  10.593  -1.407  -1.407
  463   2HB   SER  72          3HB       SER  72  10.797  -1.781  -1.781
  464    HG   SER  72           HG       SER  72  12.019   0.089   0.089
  465    HA   PRO  73           HA       PRO  73   6.836  -4.165  -4.165
  466   1HB   PRO  73          2HB       PRO  73   4.292  -3.438  -3.438
  467   2HB   PRO  73          3HB       PRO  73   4.719  -4.052  -4.052
  468   1HG   PRO  73          2HG       PRO  73   4.112  -1.274  -1.274
  469   2HG   PRO  73          3HG       PRO  73   4.121  -1.971  -1.971
  470   1HD   PRO  73          2HD       PRO  73   6.138  -0.288  -0.288
  471   2HD   PRO  73          3HD       PRO  73   6.199  -1.080  -1.080
  472    H    GLY  74           HN       GLY  74   8.601  -2.663  -2.663
  473   1HA   GLY  74          1HA       GLY  74   7.629  -1.722  -1.722
  474   2HA   GLY  74          2HA       GLY  74   9.246  -2.326  -2.326
  475    H    ALA  75           HN       ALA  75   9.203  -4.941  -4.941
  476    HA   ALA  75           HA       ALA  75   9.169  -6.274  -6.274
  477   1HB   ALA  75          2HB       ALA  75   8.083  -6.976  -6.976
  478   2HB   ALA  75          3HB       ALA  75   7.762  -8.129  -8.129
  479   3HB   ALA  75          1HB       ALA  75   9.437  -7.689  -7.689
  480    H    ASP  76           HN       ASP  76   5.995  -5.699  -5.699
  481    HA   ASP  76           HA       ASP  76   4.788  -5.951  -5.951
  482   1HB   ASP  76          2HB       ASP  76   3.707  -6.756  -6.756
  483   2HB   ASP  76          3HB       ASP  76   2.696  -6.667  -6.667
  484    H    ARG  77           HN       ARG  77   4.037  -3.923  -3.923
  485    HA   ARG  77           HA       ARG  77   2.758  -2.329  -2.329
  486   1HB   ARG  77          2HB       ARG  77   4.742  -1.194  -1.194
  487   2HB   ARG  77          3HB       ARG  77   3.882  -0.272  -0.272
  488   1HG   ARG  77          2HG       ARG  77   5.355  -2.564  -2.564
  489   2HG   ARG  77          3HG       ARG  77   6.407  -1.443  -1.443
  490   1HD   ARG  77          2HD       ARG  77   4.494   0.072   0.072
  491   2HD   ARG  77          3HD       ARG  77   5.238  -1.140  -1.140
  492    HE   ARG  77           HE       ARG  77   6.872   0.742   0.742
  493   1HH1  ARG  77           HH2      ARG  77   6.214  -0.881  -0.881
  494   2HH1  ARG  77           HH2      ARG  77   7.611  -0.232  -0.232
  495   1HH2  ARG  77           HH1      ARG  77   8.715   1.599   1.599
  496   2HH2  ARG  77           HH1      ARG  77   9.043   1.187   1.187
  497    H    VAL  78           HN       VAL  78   1.032  -0.977  -0.977
  498    HA   VAL  78           HA       VAL  78   0.401  -1.481  -1.481
  499    HB   VAL  78           HB       VAL  78  -1.997  -1.183  -1.183
  500   1HG1  VAL  78          3HG1      VAL  78  -0.234  -3.561  -3.561
  501   2HG1  VAL  78          1HG1      VAL  78  -1.944  -3.616  -3.616
  502   3HG1  VAL  78          2HG1      VAL  78  -1.516  -3.332  -3.332
  503   1HG2  VAL  78          1HG2      VAL  78  -1.320  -0.265  -0.265
  504   2HG2  VAL  78          2HG2      VAL  78  -2.500  -1.595  -1.595
  505   3HG2  VAL  78          3HG2      VAL  78  -0.788  -1.905  -1.905
  506    H    VAL  79           HN       VAL  79  -0.614   0.273   0.273
  507    HA   VAL  79           HA       VAL  79  -0.381   2.861   2.861
  508    HB   VAL  79           HB       VAL  79   0.600   2.133   2.133
  509   1HG1  VAL  79          3HG1      VAL  79  -0.506   4.404   4.404
  510   2HG1  VAL  79          1HG1      VAL  79   0.787   4.838   4.838
  511   3HG1  VAL  79          2HG1      VAL  79   1.190   4.418   4.418
  512   1HG2  VAL  79          3HG2      VAL  79   1.968   1.561   1.561
  513   2HG2  VAL  79          1HG2      VAL  79   2.777   2.345   2.345
  514   3HG2  VAL  79          2HG2      VAL  79   2.292   3.311   3.311
  515    H    PHE  80           HN       PHE  80  -2.319   3.863   3.863
  516    HA   PHE  80           HA       PHE  80  -4.086   3.343   3.343
  517   1HB   PHE  80          2HB       PHE  80  -5.944   3.353   3.353
  518   2HB   PHE  80          3HB       PHE  80  -4.762   2.148   2.148
  519    HD1  PHE  80           HD2      PHE  80  -2.938   2.954   2.954
  520    HD2  PHE  80           HD1      PHE  80  -6.654   4.912   4.912
  521    HE1  PHE  80           HE2      PHE  80  -2.741   4.026   4.026
  522    HE2  PHE  80           HE1      PHE  80  -6.456   5.984   5.984
  523    HZ   PHE  80           HZ       PHE  80  -4.502   5.529   5.529
  524    H    ASN  81           HN       ASN  81  -6.164   5.120   5.120
  525    HA   ASN  81           HA       ASN  81  -4.748   7.649   7.649
  526   1HB   ASN  81          2HB       ASN  81  -7.258   7.606   7.606
  527   2HB   ASN  81          3HB       ASN  81  -5.785   8.520   8.520
  528   1HD2  ASN  81          2HD2      ASN  81  -6.094   4.595   4.595
  529   2HD2  ASN  81          1HD2      ASN  81  -6.999   5.175   5.175
  530    H    GLU  82           HN       GLU  82  -7.038   9.340   9.340
  531    HA   GLU  82           HA       GLU  82  -8.234   8.573   8.573
  532   1HB   GLU  82          2HB       GLU  82  -7.282  10.874  10.874
  533   2HB   GLU  82          3HB       GLU  82  -8.516  11.162  11.162
  534   1HG   GLU  82          2HG       GLU  82  -9.874  11.883  11.883
  535   2HG   GLU  82          3HG       GLU  82  -9.969  10.225  10.225
  536    H    ASN  83           HN       ASN  83  -8.902   7.274   7.274
  537    HA   ASN  83           HA       ASN  83 -11.719   8.016   8.016
  538   1HB   ASN  83          2HB       ASN  83 -11.224   6.343   6.343
  539   2HB   ASN  83          3HB       ASN  83 -11.360   8.090   8.090
  540   1HD2  ASN  83          2HD2      ASN  83  -7.760   6.157   6.157
  541   2HD2  ASN  83          1HD2      ASN  83  -9.235   5.348   5.348
  542    H    ASN  84           HN       ASN  84  -9.318   5.587   5.587
  543    HA   ASN  84           HA       ASN  84  -9.859   3.825   3.825
  544   1HB   ASN  84          2HB       ASN  84 -11.966   2.734   2.734
  545   2HB   ASN  84          3HB       ASN  84 -12.409   4.381   4.381
  546   1HD2  ASN  84          2HD2      ASN  84 -12.262   3.227   3.227
  547   2HD2  ASN  84          1HD2      ASN  84 -11.138   4.108   4.108
  548    H    GLN  85           HN       GLN  85  -8.666   4.367   4.367
  549    HA   GLN  85           HA       GLN  85  -8.860   1.654   1.654
  550   1HB   GLN  85          2HB       GLN  85  -7.941   4.220   4.220
  551   2HB   GLN  85          3HB       GLN  85  -7.966   2.639   2.639
  552   1HG   GLN  85          2HG       GLN  85 -10.391   2.489   2.489
  553   2HG   GLN  85          3HG       GLN  85 -10.453   3.913   3.913
  554   1HE2  GLN  85          2HE2      GLN  85  -9.554   6.193   6.193
  555   2HE2  GLN  85          1HE2      GLN  85  -9.063   5.798   5.798
  556    H    LEU  86           HN       LEU  86  -7.255   0.404   0.404
  557    HA   LEU  86           HA       LEU  86  -4.652   1.669   1.669
  558   1HB   LEU  86          2HB       LEU  86  -5.705   0.596   0.596
  559   2HB   LEU  86          3HB       LEU  86  -5.814  -0.918  -0.918
  560    HG   LEU  86           HG       LEU  86  -3.129  -0.406  -0.406
  561   1HD1  LEU  86          2HD1      LEU  86  -4.163   1.208   1.208
  562   2HD1  LEU  86          3HD1      LEU  86  -2.936   0.034   0.034
  563   3HD1  LEU  86          1HD1      LEU  86  -2.553   1.194   1.194
  564   1HD2  LEU  86          3HD2      LEU  86  -4.888  -2.222  -2.222
  565   2HD2  LEU  86          1HD2      LEU  86  -3.254  -2.496  -2.496
  566   3HD2  LEU  86          2HD2      LEU  86  -3.462  -1.867  -1.867
  567    H    ALA  87           HN       ALA  87  -2.762   0.890   0.890
  568    HA   ALA  87           HA       ALA  87  -3.016  -1.390  -1.390
  569   1HB   ALA  87          2HB       ALA  87  -2.651   1.471   1.471
  570   2HB   ALA  87          3HB       ALA  87  -1.841   0.171   0.171
  571   3HB   ALA  87          1HB       ALA  87  -3.614   0.174   0.174
  572    H    GLY  88           HN       GLY  88  -1.014   1.311   1.311
  573   1HA   GLY  88          1HA       GLY  88   1.508   0.490   0.490
  574   2HA   GLY  88          2HA       GLY  88   1.023   1.242   1.242
  575    H    VAL  89           HN       VAL  89   0.464  -2.021  -2.021
  576    HA   VAL  89           HA       VAL  89   0.865  -3.248  -3.248
  577    HB   VAL  89           HB       VAL  89   0.124  -4.274  -4.274
  578   1HG1  VAL  89          2HG1      VAL  89   1.317  -5.747  -5.747
  579   2HG1  VAL  89          3HG1      VAL  89  -0.407  -6.189  -6.189
  580   3HG1  VAL  89          1HG1      VAL  89   0.593  -6.366  -6.366
  581   1HG2  VAL  89          2HG2      VAL  89  -1.361  -3.146  -3.146
  582   2HG2  VAL  89          3HG2      VAL  89  -1.946  -3.711  -3.711
  583   3HG2  VAL  89          1HG2      VAL  89  -1.835  -4.848  -4.848
  584    H    ILE  90           HN       ILE  90   3.158  -1.829  -1.829
  585    HA   ILE  90           HA       ILE  90   4.949  -3.559  -3.559
  586    HB   ILE  90           HB       ILE  90   6.594  -1.913  -1.913
  587   1HG1  ILE  90          2HG1      ILE  90   5.482  -1.676  -1.676
  588   2HG1  ILE  90          3HG1      ILE  90   6.707  -0.614  -0.614
  589   1HG2  ILE  90          2HG2      ILE  90   4.813  -1.377  -1.377
  590   2HG2  ILE  90          3HG2      ILE  90   3.969  -0.456  -0.456
  591   3HG2  ILE  90          1HG2      ILE  90   5.585   0.053   0.053
  592   1HD1  ILE  90          3HD1      ILE  90   4.899   0.884   0.884
  593   2HD1  ILE  90          1HD1      ILE  90   3.689  -0.171  -0.171
  594   3HD1  ILE  90          2HD1      ILE  90   4.851   0.728   0.728
  595    H    THR  91           HN       THR  91   7.167  -4.081  -4.081
  596    HA   THR  91           HA       THR  91   6.923  -4.747  -4.747
  597    HB   THR  91           HB       THR  91   5.681  -6.659  -6.659
  598    HG1  THR  91           HG1      THR  91   7.746  -7.348  -7.348
  599   1HG2  THR  91          3HG2      THR  91   7.352  -6.905  -6.905
  600   2HG2  THR  91          1HG2      THR  91   6.017  -7.977  -7.977
  601   3HG2  THR  91          2HG2      THR  91   5.687  -6.280  -6.280
  602    H    HIS  92           HN       HIS  92   8.918  -5.881  -5.881
  603    HA   HIS  92           HA       HIS  92  11.149  -4.688  -4.688
  604   1HB   HIS  92          2HB       HIS  92  10.825  -6.111  -6.111
  605   2HB   HIS  92          3HB       HIS  92  12.391  -5.622  -5.622
  606    HD1  HIS  92           HD1      HIS  92  12.851  -3.828  -3.828
  607    HD2  HIS  92           HD2      HIS  92   9.249  -3.240  -3.240
  608    HE1  HIS  92           HE1      HIS  92  12.027  -1.502  -1.502
  609    HE2  HIS  92           HE2      HIS  92   9.839  -1.176  -1.176
  610    H    THR  93           HN       THR  93   9.436  -7.625  -7.625
  611    HA   THR  93           HA       THR  93  11.139  -9.673  -9.673
  612    HB   THR  93           HB       THR  93   8.798  -8.796  -8.796
  613    HG1  THR  93           HG1      THR  93   9.509 -11.260 -11.260
  614   1HG2  THR  93          3HG2      THR  93  10.791 -10.927 -10.927
  615   2HG2  THR  93          1HG2      THR  93   9.070 -11.377 -11.377
  616   3HG2  THR  93          2HG2      THR  93   9.670 -10.017 -10.017
  617    H    GLY  94           HN       GLY  94  13.292  -9.387  -9.387
  618   1HA   GLY  94          1HA       GLY  94  15.154  -8.833  -8.833
  619   2HA   GLY  94          2HA       GLY  94  14.369  -9.800  -9.800
  620    H    ALA  95           HN       ALA  95  13.213  -6.626  -6.626
  621    HA   ALA  95           HA       ALA  95  12.869  -5.625  -5.625
  622   1HB   ALA  95          3HB       ALA  95  12.187  -4.935  -4.935
  623   2HB   ALA  95          1HB       ALA  95  12.931  -3.515  -3.515
  624   3HB   ALA  95          2HB       ALA  95  11.512  -4.291  -4.291
  625    H    SER  96           HN       SER  96  15.293  -6.368  -6.368
  626    HA   SER  96           HA       SER  96  17.448  -5.883  -5.883
  627   1HB   SER  96          2HB       SER  96  15.908  -4.369  -4.369
  628   2HB   SER  96          3HB       SER  96  16.765  -3.084  -3.084
  629    HG   SER  96           HG       SER  96  18.496  -5.123  -5.123
  630    H    GLY  97           HN       GLY  97  16.402  -5.313  -5.313
  631   1HA   GLY  97          1HA       GLY  97  18.197  -4.524  -4.524
  632   2HA   GLY  97          2HA       GLY  97  18.063  -2.983  -2.983
  633    H    ASN  98           HN       ASN  98  16.937  -1.523  -1.523
  634    HA   ASN  98           HA       ASN  98  14.866  -2.567  -2.567
  635   1HB   ASN  98          2HB       ASN  98  16.418  -1.082  -1.082
  636   2HB   ASN  98          3HB       ASN  98  16.348   0.097   0.097
  637   1HD2  ASN  98          2HD2      ASN  98  12.763  -0.315  -0.315
  638   2HD2  ASN  98          1HD2      ASN  98  13.581  -1.656  -1.656
  639    H    ASN  99           HN       ASN  99  15.119  -1.607  -1.607
  640    HA   ASN  99           HA       ASN  99  13.310   0.453   0.453
  641   1HB   ASN  99          2HB       ASN  99  13.557   0.059   0.059
  642   2HB   ASN  99          3HB       ASN  99  14.922  -0.879  -0.879
  643   1HD2  ASN  99          2HD2      ASN  99  13.736  -3.590  -3.590
  644   2HD2  ASN  99          1HD2      ASN  99  14.976  -2.417  -2.417
  645    H    PHE 100           HN       PHE 100  11.115  -0.002  -0.002
  646    HA   PHE 100           HA       PHE 100   9.736  -2.225  -2.225
  647   1HB   PHE 100          2HB       PHE 100   9.062   0.678   0.678
  648   2HB   PHE 100          3HB       PHE 100   7.745  -0.476  -0.476
  649    HD1  PHE 100           HD2      PHE 100   8.122  -2.134  -2.134
  650    HD2  PHE 100           HD1      PHE 100   9.261   1.937   1.937
  651    HE1  PHE 100           HE2      PHE 100   8.036  -1.878  -1.878
  652    HE2  PHE 100           HE1      PHE 100   9.175   2.192   2.192
  653    HZ   PHE 100           HZ       PHE 100   8.563   0.282   0.282
  654    H    VAL 101           HN       VAL 101   7.852  -3.119  -3.119
  655    HA   VAL 101           HA       VAL 101   7.632  -2.474  -2.474
  656    HB   VAL 101           HB       VAL 101   8.328  -4.640  -4.640
  657   1HG1  VAL 101          3HG1      VAL 101   9.938  -2.728  -2.728
  658   2HG1  VAL 101          1HG1      VAL 101  10.565  -3.410  -3.410
  659   3HG1  VAL 101          2HG1      VAL 101  10.716  -4.328  -4.328
  660   1HG2  VAL 101          2HG2      VAL 101   9.227  -5.214  -5.214
  661   2HG2  VAL 101          3HG2      VAL 101   7.919  -6.031  -6.031
  662   3HG2  VAL 101          1HG2      VAL 101   9.606  -6.215  -6.215
  663    H    GLU 102           HN       GLU 102   5.507  -2.708  -2.708
  664    HA   GLU 102           HA       GLU 102   3.689  -3.554  -3.554
  665   1HB   GLU 102          2HB       GLU 102   2.311  -4.006  -4.006
  666   2HB   GLU 102          3HB       GLU 102   2.636  -2.399  -2.399
  667   1HG   GLU 102          2HG       GLU 102   4.469  -2.058  -2.058
  668   2HG   GLU 102          3HG       GLU 102   4.625  -3.770  -3.770
  669    H    CYS 103           HN       CYS 103   3.048  -5.512  -5.512
  670    HA   CYS 103           HA       CYS 103   4.350  -7.833  -7.833
  671   1HB   CYS 103          2HB       CYS 103   1.543  -7.447  -7.447
  672   2HB   CYS 103          3HB       CYS 103   2.399  -8.976  -8.976
  673    H    THR 104           HN       THR 104   3.029  -9.932  -9.932
  674    HA   THR 104           HA       THR 104   2.012  -9.186  -9.186
  675    HB   THR 104           HB       THR 104   2.794 -11.438 -11.438
  676    HG1  THR 104           HG1      THR 104   3.912 -12.563 -12.563
  677   1HG2  THR 104          1HG2      THR 104   4.553  -9.496  -9.496
  678   2HG2  THR 104          2HG2      THR 104   4.974 -10.495 -10.495
  679   3HG2  THR 104          3HG2      THR 104   5.133 -11.163 -11.163

  Start of MODEL   25
    1    H    ALA   1           HN       ALA   1  -8.347 -16.465 -16.465
    2    HA   ALA   1           HA       ALA   1  -7.648 -14.175 -14.175
    3   1HB   ALA   1          3HB       ALA   1  -9.902 -14.786 -14.786
    4   2HB   ALA   1          1HB       ALA   1  -9.270 -14.351 -14.351
    5   3HB   ALA   1          2HB       ALA   1  -9.390 -13.114 -13.114
    6    H    CYS   2           HN       CYS   2  -5.376 -13.812 -13.812
    7    HA   CYS   2           HA       CYS   2  -4.779 -12.781 -12.781
    8   1HB   CYS   2          2HB       CYS   2  -2.413 -13.457 -13.457
    9   2HB   CYS   2          3HB       CYS   2  -2.893 -13.940 -13.940
   10    H    ASP   3           HN       ASP   3  -6.032 -10.971 -10.971
   11    HA   ASP   3           HA       ASP   3  -5.064  -9.705  -9.705
   12   1HB   ASP   3          2HB       ASP   3  -5.841  -8.337  -8.337
   13   2HB   ASP   3          3HB       ASP   3  -5.808  -7.547  -7.547
   14    H    TYR   4           HN       TYR   4  -3.574  -9.898  -9.898
   15    HA   TYR   4           HA       TYR   4  -1.218  -8.523  -8.523
   16   1HB   TYR   4          2HB       TYR   4  -2.574  -8.180  -8.180
   17   2HB   TYR   4          3HB       TYR   4  -1.095  -7.373  -7.373
   18    HD1  TYR   4           HD2      TYR   4  -1.167  -5.616  -5.616
   19    HD2  TYR   4           HD1      TYR   4  -4.722  -7.326  -7.326
   20    HE1  TYR   4           HE2      TYR   4  -2.534  -3.674  -3.674
   21    HE2  TYR   4           HE1      TYR   4  -6.076  -5.380  -5.380
   22    HH   TYR   4           HH       TYR   4  -6.057  -3.638  -3.638
   23    H    THR   5           HN       THR   5   0.426  -9.966  -9.966
   24    HA   THR   5           HA       THR   5   0.549 -11.703 -11.703
   25    HB   THR   5           HB       THR   5   0.925 -12.344 -12.344
   26    HG1  THR   5           HG1      THR   5  -1.138 -12.453 -12.453
   27   1HG2  THR   5          1HG2      THR   5   2.591 -13.359 -13.359
   28   2HG2  THR   5          2HG2      THR   5   1.256 -14.535 -14.535
   29   3HG2  THR   5          3HG2      THR   5   2.191 -14.198 -14.198
   30    H    CYS   6           HN       CYS   6   2.135 -10.900 -10.900
   31    HA   CYS   6           HA       CYS   6   4.355  -9.583  -9.583
   32   1HB   CYS   6          2HB       CYS   6   3.468 -10.068 -10.068
   33   2HB   CYS   6          3HB       CYS   6   5.121  -9.577  -9.577
   34    H    GLY   7           HN       GLY   7   4.706 -11.794 -11.794
   35   1HA   GLY   7          1HA       GLY   7   6.385 -13.313 -13.313
   36   2HA   GLY   7          2HA       GLY   7   6.892 -13.150 -13.150
   37    H    SER   8           HN       SER   8   4.769 -13.793 -13.793
   38    HA   SER   8           HA       SER   8   3.590 -16.192 -16.192
   39   1HB   SER   8          2HB       SER   8   4.551 -17.706 -17.706
   40   2HB   SER   8          3HB       SER   8   5.899 -16.609 -16.609
   41    HG   SER   8           HG       SER   8   3.992 -16.576 -16.576
   42    H    ASN   9           HN       ASN   9   2.239 -13.844 -13.844
   43    HA   ASN   9           HA       ASN   9   0.888 -14.369 -14.369
   44   1HB   ASN   9          2HB       ASN   9   1.108 -11.664 -11.664
   45   2HB   ASN   9          3HB       ASN   9   0.388 -11.952 -11.952
   46   1HD2  ASN   9          2HD2      ASN   9   4.506 -12.274 -12.274
   47   2HD2  ASN   9          1HD2      ASN   9   3.411 -12.685 -12.685
   48    H    CYS  10           HN       CYS  10  -1.354 -12.671 -12.671
   49    HA   CYS  10           HA       CYS  10  -2.410 -12.859 -12.859
   50   1HB   CYS  10          2HB       CYS  10  -2.484 -15.267 -15.267
   51   2HB   CYS  10          3HB       CYS  10  -3.487 -14.909 -14.909
   52    H    TYR  11           HN       TYR  11  -2.512 -10.590 -10.590
   53    HA   TYR  11           HA       TYR  11  -4.433 -10.210 -10.210
   54   1HB   TYR  11          2HB       TYR  11  -3.117  -8.161  -8.161
   55   2HB   TYR  11          3HB       TYR  11  -3.624  -7.901  -7.901
   56    HD1  TYR  11           HD1      TYR  11  -2.351  -9.215  -9.215
   57    HD2  TYR  11           HD2      TYR  11  -0.886  -8.716  -8.716
   58    HE1  TYR  11           HE1      TYR  11   0.009  -9.725  -9.725
   59    HE2  TYR  11           HE2      TYR  11   1.469  -9.229  -9.229
   60    HH   TYR  11           HH       TYR  11   2.702  -9.026  -9.026
   61    H    SER  12           HN       SER  12  -5.715 -11.521 -11.521
   62    HA   SER  12           HA       SER  12  -6.749 -10.436 -10.436
   63   1HB   SER  12          2HB       SER  12  -7.599 -12.424 -12.424
   64   2HB   SER  12          3HB       SER  12  -8.851 -11.260 -11.260
   65    HG   SER  12           HG       SER  12  -8.158 -12.226 -12.226
   66    H    SER  13           HN       SER  13  -8.512  -8.953  -8.953
   67    HA   SER  13           HA       SER  13  -8.347  -6.496  -6.496
   68   1HB   SER  13          2HB       SER  13 -10.310  -6.002  -6.002
   69   2HB   SER  13          3HB       SER  13  -9.789  -7.503  -7.503
   70    HG   SER  13           HG       SER  13 -11.978  -7.014  -7.014
   71    H    SER  14           HN       SER  14  -9.825  -9.199  -9.199
   72    HA   SER  14           HA       SER  14 -11.392  -7.543  -7.543
   73   1HB   SER  14          2HB       SER  14 -12.110  -9.843  -9.843
   74   2HB   SER  14          3HB       SER  14 -10.700 -10.511 -10.511
   75    HG   SER  14           HG       SER  14 -11.699  -9.106  -9.106
   76    H    ASP  15           HN       ASP  15  -8.139  -8.875  -8.875
   77    HA   ASP  15           HA       ASP  15  -7.713  -8.652  -8.652
   78   1HB   ASP  15          2HB       ASP  15  -6.219  -9.581  -9.581
   79   2HB   ASP  15          3HB       ASP  15  -5.201  -8.797  -8.797
   80    H    VAL  16           HN       VAL  16  -7.409  -6.715  -6.715
   81    HA   VAL  16           HA       VAL  16  -5.475  -4.887  -4.887
   82    HB   VAL  16           HB       VAL  16  -7.447  -4.864  -4.864
   83   1HG1  VAL  16          1HG1      VAL  16  -6.747  -2.546  -2.546
   84   2HG1  VAL  16          2HG1      VAL  16  -5.225  -2.856  -2.856
   85   3HG1  VAL  16          3HG1      VAL  16  -6.763  -2.780  -2.780
   86   1HG2  VAL  16          3HG2      VAL  16  -4.777  -5.908  -5.908
   87   2HG2  VAL  16          1HG2      VAL  16  -5.876  -6.105  -6.105
   88   3HG2  VAL  16          2HG2      VAL  16  -4.787  -4.699  -4.699
   89    H    SER  17           HN       SER  17  -8.976  -4.320  -4.320
   90    HA   SER  17           HA       SER  17  -9.333  -1.993  -1.993
   91   1HB   SER  17          2HB       SER  17 -11.111  -3.301  -3.301
   92   2HB   SER  17          3HB       SER  17 -11.222  -4.378  -4.378
   93    HG   SER  17           HG       SER  17 -11.603  -2.163  -2.163
   94    H    THR  18           HN       THR  18  -9.430  -5.181  -5.181
   95    HA   THR  18           HA       THR  18 -10.064  -4.292  -4.292
   96    HB   THR  18           HB       THR  18  -8.518  -6.591  -6.591
   97    HG1  THR  18           HG1      THR  18 -10.949  -6.244  -6.244
   98   1HG2  THR  18          2HG2      THR  18  -8.243  -5.628  -5.628
   99   2HG2  THR  18          3HG2      THR  18  -8.849  -7.296  -7.296
  100   3HG2  THR  18          1HG2      THR  18  -7.291  -6.855  -6.855
  101    H    ALA  19           HN       ALA  19  -6.763  -4.516  -4.516
  102    HA   ALA  19           HA       ALA  19  -5.446  -3.529  -3.529
  103   1HB   ALA  19          1HB       ALA  19  -4.350  -4.756  -4.756
  104   2HB   ALA  19          2HB       ALA  19  -4.700  -3.417  -3.417
  105   3HB   ALA  19          3HB       ALA  19  -3.581  -3.168  -3.168
  106    H    GLN  20           HN       GLN  20  -6.833  -1.921  -1.921
  107    HA   GLN  20           HA       GLN  20  -5.878   0.593   0.593
  108   1HB   GLN  20          2HB       GLN  20  -8.631   0.100   0.100
  109   2HB   GLN  20          3HB       GLN  20  -7.487   1.362   1.362
  110   1HG   GLN  20          2HG       GLN  20  -5.929  -0.344  -0.344
  111   2HG   GLN  20          3HG       GLN  20  -7.051  -1.618  -1.618
  112   1HE2  GLN  20          2HE2      GLN  20  -8.135   1.120   1.120
  113   2HE2  GLN  20          1HE2      GLN  20  -7.185   1.586   1.586
  114    H    ALA  21           HN       ALA  21  -9.140  -0.780  -0.780
  115    HA   ALA  21           HA       ALA  21 -10.323   1.202   1.202
  116   1HB   ALA  21          1HB       ALA  21 -10.009  -1.701  -1.701
  117   2HB   ALA  21          2HB       ALA  21 -11.084  -0.591  -0.591
  118   3HB   ALA  21          3HB       ALA  21 -11.372  -0.921  -0.921
  119    H    ALA  22           HN       ALA  22  -7.475  -0.607  -0.607
  120    HA   ALA  22           HA       ALA  22  -7.487   0.700   0.700
  121   1HB   ALA  22          3HB       ALA  22  -6.432  -1.563  -1.563
  122   2HB   ALA  22          1HB       ALA  22  -5.075  -0.564  -0.564
  123   3HB   ALA  22          2HB       ALA  22  -5.533  -0.544  -0.544
  124    H    GLY  23           HN       GLY  23  -5.324   0.986   0.986
  125   1HA   GLY  23          1HA       GLY  23  -3.929   3.236   3.236
  126   2HA   GLY  23          2HA       GLY  23  -4.111   2.711   2.711
  127    H    TYR  24           HN       TYR  24  -7.011   2.890   2.890
  128    HA   TYR  24           HA       TYR  24  -7.228   5.637   5.637
  129   1HB   TYR  24          2HB       TYR  24  -8.432   3.207   3.207
  130   2HB   TYR  24          3HB       TYR  24  -9.643   3.870   3.870
  131    HD1  TYR  24           HD1      TYR  24 -10.802   6.005   6.005
  132    HD2  TYR  24           HD2      TYR  24  -8.102   4.098   4.098
  133    HE1  TYR  24           HE1      TYR  24 -11.741   7.388   7.388
  134    HE2  TYR  24           HE2      TYR  24  -9.050   5.488   5.488
  135    HH   TYR  24           HH       TYR  24 -10.473   6.992   6.992
  136    H    LYS  25           HN       LYS  25  -9.099   3.594   3.594
  137    HA   LYS  25           HA       LYS  25 -10.569   5.465   5.465
  138   1HB   LYS  25          2HB       LYS  25 -10.594   3.078   3.078
  139   2HB   LYS  25          3HB       LYS  25  -9.050   3.229   3.229
  140   1HG   LYS  25          2HG       LYS  25 -10.735   3.344   3.344
  141   2HG   LYS  25          3HG       LYS  25 -10.108   4.969   4.969
  142   1HD   LYS  25          2HD       LYS  25 -12.032   5.662   5.662
  143   2HD   LYS  25          3HD       LYS  25 -12.594   4.011   4.011
  144   1HE   LYS  25          2HE       LYS  25 -13.906   4.432   4.432
  145   2HE   LYS  25          3HE       LYS  25 -12.443   4.271   4.271
  146   1HZ   LYS  25          2HZ       LYS  25 -12.119   6.710   6.710
  147   2HZ   LYS  25          3HZ       LYS  25 -13.689   6.725   6.725
  148   3HZ   LYS  25          1HZ       LYS  25 -13.282   6.330   6.330
  149    H    LEU  26           HN       LEU  26  -7.193   4.648   4.648
  150    HA   LEU  26           HA       LEU  26  -7.027   6.774   6.774
  151   1HB   LEU  26          2HB       LEU  26  -5.582   4.884   4.884
  152   2HB   LEU  26          3HB       LEU  26  -4.941   5.147   5.147
  153    HG   LEU  26           HG       LEU  26  -4.326   7.526   7.526
  154   1HD1  LEU  26          3HD1      LEU  26  -5.158   6.438   6.438
  155   2HD1  LEU  26          1HD1      LEU  26  -3.702   5.416   5.416
  156   3HD1  LEU  26          2HD1      LEU  26  -3.543   7.184   7.184
  157   1HD2  LEU  26          2HD2      LEU  26  -2.959   5.191   5.191
  158   2HD2  LEU  26          3HD2      LEU  26  -2.441   6.894   6.894
  159   3HD2  LEU  26          1HD2      LEU  26  -2.105   5.851   5.851
  160    H    HIS  27           HN       HIS  27  -6.471   6.533   6.533
  161    HA   HIS  27           HA       HIS  27  -5.137   8.992   8.992
  162   1HB   HIS  27          2HB       HIS  27  -4.929   7.332   7.332
  163   2HB   HIS  27          3HB       HIS  27  -6.662   7.274   7.274
  164    HD1  HIS  27           HD1      HIS  27  -3.970  10.020  10.020
  165    HD2  HIS  27           HD2      HIS  27  -7.373   8.683   8.683
  166    HE1  HIS  27           HE1      HIS  27  -4.234  11.556  11.556
  167    HE2  HIS  27           HE2      HIS  27  -6.309  10.652  10.652
  168    H    GLU  28           HN       GLU  28  -8.599   8.009   8.009
  169    HA   GLU  28           HA       GLU  28  -9.515  10.494  10.494
  170   1HB   GLU  28          2HB       GLU  28 -11.500   9.119   9.119
  171   2HB   GLU  28          3HB       GLU  28 -11.454   9.345   9.345
  172   1HG   GLU  28          2HG       GLU  28  -9.941   7.377   7.377
  173   2HG   GLU  28          3HG       GLU  28  -9.933   7.165   7.165
  174    H    ASP  29           HN       ASP  29  -8.513   9.221   9.221
  175    HA   ASP  29           HA       ASP  29  -9.866  11.315  11.315
  176   1HB   ASP  29          2HB       ASP  29  -8.131   8.951   8.951
  177   2HB   ASP  29          3HB       ASP  29  -8.302  10.243  10.243
  178    H    GLY  30           HN       GLY  30  -6.868  10.721  10.721
  179   1HA   GLY  30          1HA       GLY  30  -5.120  12.110  12.110
  180   2HA   GLY  30          2HA       GLY  30  -5.828  13.299  13.299
  181    H    GLU  31           HN       GLU  31  -5.458   9.991   9.991
  182    HA   GLU  31           HA       GLU  31  -3.397  10.994  10.994
  183   1HB   GLU  31          2HB       GLU  31  -5.352   8.672   8.672
  184   2HB   GLU  31          3HB       GLU  31  -4.009   8.846   8.846
  185   1HG   GLU  31          2HG       GLU  31  -5.975  11.120  11.120
  186   2HG   GLU  31          3HG       GLU  31  -6.294   9.874   9.874
  187    H    THR  32           HN       THR  32  -1.982   8.873   8.873
  188    HA   THR  32           HA       THR  32  -1.068   7.527   7.527
  189    HB   THR  32           HB       THR  32   1.255   7.913   7.913
  190    HG1  THR  32           HG1      THR  32  -0.148   9.539   9.539
  191   1HG2  THR  32          1HG2      THR  32  -0.380  10.502  10.502
  192   2HG2  THR  32          2HG2      THR  32   1.373  10.384  10.384
  193   3HG2  THR  32          3HG2      THR  32   0.234   9.763   9.763
  194    H    VAL  33           HN       VAL  33   0.415   5.599   5.599
  195    HA   VAL  33           HA       VAL  33  -0.834   4.236   4.236
  196    HB   VAL  33           HB       VAL  33  -0.755   2.213   2.213
  197   1HG1  VAL  33          3HG1      VAL  33  -2.441   4.181   4.181
  198   2HG1  VAL  33          1HG1      VAL  33  -1.640   3.996   3.996
  199   3HG1  VAL  33          2HG1      VAL  33  -2.458   2.605   2.605
  200   1HG2  VAL  33          3HG2      VAL  33   1.477   2.652   2.652
  201   2HG2  VAL  33          1HG2      VAL  33   0.273   1.904   1.904
  202   3HG2  VAL  33          2HG2      VAL  33   0.635   3.641   3.641
  203    H    GLY  34           HN       GLY  34   0.513   3.507   3.507
  204   1HA   GLY  34          1HA       GLY  34   2.412   2.870   2.870
  205   2HA   GLY  34          2HA       GLY  34   3.196   2.704   2.704
  206    H    SER  35           HN       SER  35   5.155   3.694   3.694
  207    HA   SER  35           HA       SER  35   4.883   6.449   6.449
  208   1HB   SER  35          2HB       SER  35   7.019   4.343   4.343
  209   2HB   SER  35          3HB       SER  35   7.543   6.015   6.015
  210    HG   SER  35           HG       SER  35   6.918   6.226   6.226
  211    H    ASN  36           HN       ASN  36   4.607   5.174   5.174
  212    HA   ASN  36           HA       ASN  36   6.731   6.695   6.695
  213   1HB   ASN  36          2HB       ASN  36   5.255   4.222   4.222
  214   2HB   ASN  36          3HB       ASN  36   5.234   5.338   5.338
  215   1HD2  ASN  36          2HD2      ASN  36   8.223   3.625   3.625
  216   2HD2  ASN  36          1HD2      ASN  36   6.504   3.668   3.668
  217    H    SER  37           HN       SER  37   5.412   7.085   7.085
  218    HA   SER  37           HA       SER  37   3.177   8.779   8.779
  219   1HB   SER  37          2HB       SER  37   3.896  10.494  10.494
  220   2HB   SER  37          3HB       SER  37   5.384   9.933   9.933
  221    HG   SER  37           HG       SER  37   4.865  10.097  10.097
  222    H    TYR  38           HN       TYR  38   2.743   6.094   6.094
  223    HA   TYR  38           HA       TYR  38   1.904   6.189   6.189
  224   1HB   TYR  38          2HB       TYR  38   2.297   3.988   3.988
  225   2HB   TYR  38          3HB       TYR  38   1.690   3.651   3.651
  226    HD1  TYR  38           HD2      TYR  38   4.503   5.844   5.844
  227    HD2  TYR  38           HD1      TYR  38   3.318   2.447   2.447
  228    HE1  TYR  38           HE2      TYR  38   6.886   5.583   5.583
  229    HE2  TYR  38           HE1      TYR  38   5.704   2.198   2.198
  230    HH   TYR  38           HH       TYR  38   8.138   3.055   3.055
  231    HA   PRO  39           HA       PRO  39   0.698   5.174   5.174
  232   1HB   PRO  39          2HB       PRO  39  -1.332   5.995   5.995
  233   2HB   PRO  39          3HB       PRO  39  -1.179   4.350   4.350
  234   1HG   PRO  39          2HG       PRO  39  -3.056   6.463   6.463
  235   2HG   PRO  39          3HG       PRO  39  -3.157   4.731   4.731
  236   1HD   PRO  39          2HD       PRO  39  -2.376   6.706   6.706
  237   2HD   PRO  39          3HD       PRO  39  -2.367   4.966   4.966
  238    H    HIS  40           HN       HIS  40   0.359   6.760   6.760
  239    HA   HIS  40           HA       HIS  40   0.299   9.430   9.430
  240   1HB   HIS  40          2HB       HIS  40   2.559  10.169  10.169
  241   2HB   HIS  40          3HB       HIS  40   2.081   9.127   9.127
  242    HD1  HIS  40           HD1      HIS  40   4.214   9.071   9.071
  243    HD2  HIS  40           HD2      HIS  40   3.692   6.908   6.908
  244    HE1  HIS  40           HE1      HIS  40   6.124   7.382   7.382
  245    HE2  HIS  40           HE2      HIS  40   5.782   6.120   6.120
  246    H    LYS  41           HN       LYS  41   1.412  10.659  10.659
  247    HA   LYS  41           HA       LYS  41   0.792   9.606   9.606
  248   1HB   LYS  41          2HB       LYS  41   1.828  11.961  11.961
  249   2HB   LYS  41          3HB       LYS  41   3.211  11.323  11.323
  250   1HG   LYS  41          2HG       LYS  41   2.242  11.979  11.979
  251   2HG   LYS  41          3HG       LYS  41   0.994  10.775  10.775
  252   1HD   LYS  41          2HD       LYS  41  -0.541  12.404  12.404
  253   2HD   LYS  41          3HD       LYS  41   0.380  13.014  13.014
  254   1HE   LYS  41          2HE       LYS  41   1.877  14.220  14.220
  255   2HE   LYS  41          3HE       LYS  41   0.647  13.818  13.818
  256   1HZ   LYS  41          3HZ       LYS  41  -0.960  14.968  14.968
  257   2HZ   LYS  41          1HZ       LYS  41   0.191  15.348  15.348
  258   3HZ   LYS  41          2HZ       LYS  41   0.262  15.969  15.969
  259    H    TYR  42           HN       TYR  42   2.254   8.929   8.929
  260    HA   TYR  42           HA       TYR  42   4.606   7.456   7.456
  261   1HB   TYR  42          2HB       TYR  42   2.755   5.835   5.835
  262   2HB   TYR  42          3HB       TYR  42   2.019   6.396   6.396
  263    HD1  TYR  42           HD1      TYR  42   2.879   5.681   5.681
  264    HD2  TYR  42           HD2      TYR  42   4.662   4.299   4.299
  265    HE1  TYR  42           HE1      TYR  42   4.089   3.849   3.849
  266    HE2  TYR  42           HE2      TYR  42   5.866   2.471   2.471
  267    HH   TYR  42           HH       TYR  42   6.450   1.785   1.785
  268    H    ASN  43           HN       ASN  43   3.432   9.764   9.764
  269    HA   ASN  43           HA       ASN  43   3.454   9.803   9.803
  270   1HB   ASN  43          2HB       ASN  43   5.606  10.976  10.976
  271   2HB   ASN  43          3HB       ASN  43   6.020  10.909  10.909
  272   1HD2  ASN  43          2HD2      ASN  43   2.395  12.752  12.752
  273   2HD2  ASN  43          1HD2      ASN  43   2.757  11.155  11.155
  274    H    ASN  44           HN       ASN  44   3.635   7.441   7.441
  275    HA   ASN  44           HA       ASN  44   5.830   5.919   5.919
  276   1HB   ASN  44          2HB       ASN  44   4.882   4.657   4.657
  277   2HB   ASN  44          3HB       ASN  44   3.515   5.377   5.377
  278   1HD2  ASN  44          2HD2      ASN  44   4.703   6.667   6.667
  279   2HD2  ASN  44          1HD2      ASN  44   5.759   5.782   5.782
  280    H    TYR  45           HN       TYR  45   7.438   5.353   5.353
  281    HA   TYR  45           HA       TYR  45   7.885   7.289   7.289
  282   1HB   TYR  45          2HB       TYR  45   9.305   7.263   7.263
  283   2HB   TYR  45          3HB       TYR  45  10.347   7.445   7.445
  284    HD1  TYR  45           HD1      TYR  45   7.514   8.897   8.897
  285    HD2  TYR  45           HD2      TYR  45  10.464   9.588   9.588
  286    HE1  TYR  45           HE1      TYR  45   7.000  11.386  11.386
  287    HE2  TYR  45           HE2      TYR  45   9.940  12.075  12.075
  288    HH   TYR  45           HH       TYR  45   8.039  13.495  13.495
  289    H    GLU  46           HN       GLU  46   9.216   4.644   4.644
  290    HA   GLU  46           HA       GLU  46  11.218   3.748   3.748
  291   1HB   GLU  46          2HB       GLU  46   9.067   2.120   2.120
  292   2HB   GLU  46          3HB       GLU  46  10.546   1.413   1.413
  293   1HG   GLU  46          2HG       GLU  46  11.888   2.449   2.449
  294   2HG   GLU  46          3HG       GLU  46  10.844   3.851   3.851
  295    H    GLY  47           HN       GLY  47   7.875   3.921   3.921
  296   1HA   GLY  47          1HA       GLY  47   7.434   3.797   3.797
  297   2HA   GLY  47          2HA       GLY  47   8.528   2.433   2.433
  298    H    PHE  48           HN       PHE  48   5.723   3.337   3.337
  299    HA   PHE  48           HA       PHE  48   4.785   0.589   0.589
  300   1HB   PHE  48          2HB       PHE  48   4.134   2.990   2.990
  301   2HB   PHE  48          3HB       PHE  48   3.232   1.490   1.490
  302    HD1  PHE  48           HD2      PHE  48   4.422  -0.611  -0.611
  303    HD2  PHE  48           HD1      PHE  48   6.242   3.213   3.213
  304    HE1  PHE  48           HE2      PHE  48   6.115  -1.532  -1.532
  305    HE2  PHE  48           HE1      PHE  48   7.934   2.291   2.291
  306    HZ   PHE  48           HZ       PHE  48   7.851  -0.070  -0.070
  307    H    ASP  49           HN       ASP  49   2.912   0.050   0.050
  308    HA   ASP  49           HA       ASP  49   1.590   2.263   2.263
  309   1HB   ASP  49          2HB       ASP  49   0.897  -0.619  -0.619
  310   2HB   ASP  49          3HB       ASP  49   0.941   0.733   0.733
  311    H    PHE  50           HN       PHE  50   0.802   2.450   2.450
  312    HA   PHE  50           HA       PHE  50  -1.021   0.661   0.661
  313   1HB   PHE  50          2HB       PHE  50  -0.787   3.727   3.727
  314   2HB   PHE  50          3HB       PHE  50  -1.816   2.816   2.816
  315    HD1  PHE  50           HD1      PHE  50   0.472   0.503   0.503
  316    HD2  PHE  50           HD2      PHE  50   0.307   4.617   4.617
  317    HE1  PHE  50           HE1      PHE  50   2.407   0.188   0.188
  318    HE2  PHE  50           HE2      PHE  50   2.244   4.302   4.302
  319    HZ   PHE  50           HZ       PHE  50   3.271   2.093   2.093
  320    H    SER  51           HN       SER  51  -2.910  -0.071  -0.071
  321    HA   SER  51           HA       SER  51  -4.144   1.139   1.139
  322   1HB   SER  51          2HB       SER  51  -5.896  -0.501  -0.501
  323   2HB   SER  51          3HB       SER  51  -4.375  -1.268  -1.268
  324    HG   SER  51           HG       SER  51  -6.597  -0.882  -0.882
  325    H    VAL  52           HN       VAL  52  -3.869   2.368   2.368
  326    HA   VAL  52           HA       VAL  52  -6.539   3.589   3.589
  327    HB   VAL  52           HB       VAL  52  -6.311   3.942   3.942
  328   1HG1  VAL  52          2HG1      VAL  52  -7.185   1.764   1.764
  329   2HG1  VAL  52          3HG1      VAL  52  -5.539   1.088   1.088
  330   3HG1  VAL  52          1HG1      VAL  52  -6.344   1.632   1.632
  331   1HG2  VAL  52          3HG2      VAL  52  -3.522   2.808   2.808
  332   2HG2  VAL  52          1HG2      VAL  52  -3.990   4.407   4.407
  333   3HG2  VAL  52          2HG2      VAL  52  -4.333   2.942   2.942
  334    H    SER  53           HN       SER  53  -6.688   5.896   5.896
  335    HA   SER  53           HA       SER  53  -4.389   7.226   7.226
  336   1HB   SER  53          2HB       SER  53  -6.749   7.671   7.671
  337   2HB   SER  53          3HB       SER  53  -7.110   8.366   8.366
  338    HG   SER  53           HG       SER  53  -5.368   9.353   9.353
  339    H    SER  54           HN       SER  54  -3.996   9.580   9.580
  340    HA   SER  54           HA       SER  54  -3.241   9.030   9.030
  341   1HB   SER  54          2HB       SER  54  -1.839  10.875  10.875
  342   2HB   SER  54          3HB       SER  54  -2.010  10.429  10.429
  343    HG   SER  54           HG       SER  54  -3.887  12.014  12.014
  344    HA   PRO  55           HA       PRO  55  -2.498  10.920  10.920
  345   1HB   PRO  55          2HB       PRO  55  -2.679  11.271  11.271
  346   2HB   PRO  55          3HB       PRO  55  -2.544  12.601  12.601
  347   1HG   PRO  55          2HG       PRO  55  -4.923  11.665  11.665
  348   2HG   PRO  55          3HG       PRO  55  -4.656  13.207  13.207
  349   1HD   PRO  55          2HD       PRO  55  -6.257  11.039  11.039
  350   2HD   PRO  55          3HD       PRO  55  -5.896  12.536  12.536
  351    H    TYR  56           HN       TYR  56  -1.005   9.508   9.508
  352    HA   TYR  56           HA       TYR  56  -2.392   6.954   6.954
  353   1HB   TYR  56          2HB       TYR  56   0.464   7.836   7.836
  354   2HB   TYR  56          3HB       TYR  56   0.076   6.166   6.166
  355    HD1  TYR  56           HD1      TYR  56  -2.772   6.436   6.436
  356    HD2  TYR  56           HD2      TYR  56   1.253   7.256   7.256
  357    HE1  TYR  56           HE1      TYR  56  -3.412   6.063   6.063
  358    HE2  TYR  56           HE2      TYR  56   0.598   6.880   6.880
  359    HH   TYR  56           HH       TYR  56  -2.337   7.020   7.020
  360    H    TYR  57           HN       TYR  57  -2.413   6.050   6.050
  361    HA   TYR  57           HA       TYR  57  -0.659   7.300   7.300
  362   1HB   TYR  57          2HB       TYR  57  -3.305   5.730   5.730
  363   2HB   TYR  57          3HB       TYR  57  -2.502   6.515   6.515
  364    HD1  TYR  57           HD2      TYR  57  -1.783   8.932   8.932
  365    HD2  TYR  57           HD1      TYR  57  -5.336   7.049   7.049
  366    HE1  TYR  57           HE2      TYR  57  -3.105  11.056  11.056
  367    HE2  TYR  57           HE1      TYR  57  -6.646   9.180   9.180
  368    HH   TYR  57           HH       TYR  57  -5.114  12.127  12.127
  369    H    GLU  58           HN       GLU  58   1.069   6.053   6.053
  370    HA   GLU  58           HA       GLU  58   1.007   3.277   3.277
  371   1HB   GLU  58          2HB       GLU  58   3.336   3.304   3.304
  372   2HB   GLU  58          3HB       GLU  58   3.068   4.564   4.564
  373   1HG   GLU  58          2HG       GLU  58   2.905   6.275   6.275
  374   2HG   GLU  58          3HG       GLU  58   2.771   5.091   5.091
  375    H    TRP  59           HN       TRP  59   0.840   1.527   1.527
  376    HA   TRP  59           HA       TRP  59   0.861   2.015   2.015
  377   1HB   TRP  59          2HB       TRP  59  -1.381   2.683   2.683
  378   2HB   TRP  59          3HB       TRP  59  -1.691   1.350   1.350
  379    HD1  TRP  59           HD1      TRP  59  -2.567  -0.901  -0.901
  380    HE1  TRP  59           HE1      TRP  59  -3.137  -1.766  -1.766
  381    HE3  TRP  59           HE3      TRP  59  -0.474   3.025   3.025
  382    HZ2  TRP  59           HZ2      TRP  59  -2.658  -0.736  -0.736
  383    HZ3  TRP  59           HZ3      TRP  59  -0.568   3.019   3.019
  384    HH2  TRP  59           HH2      TRP  59  -1.613   1.224   1.224
  385    HA   PRO  60           HA       PRO  60   2.326  -2.058  -2.058
  386   1HB   PRO  60          2HB       PRO  60   2.505  -2.778  -2.778
  387   2HB   PRO  60          3HB       PRO  60   3.727  -1.826  -1.826
  388   1HG   PRO  60          2HG       PRO  60   1.685  -0.943  -0.943
  389   2HG   PRO  60          3HG       PRO  60   3.153  -0.127  -0.127
  390   1HD   PRO  60          2HD       PRO  60   0.480   0.494   0.494
  391   2HD   PRO  60          3HD       PRO  60   1.958   1.233   1.233
  392    H    ILE  61           HN       ILE  61   1.519  -3.997  -3.997
  393    HA   ILE  61           HA       ILE  61  -1.167  -4.470  -4.470
  394    HB   ILE  61           HB       ILE  61  -0.750  -4.181  -4.181
  395   1HG1  ILE  61          2HG1      ILE  61  -2.096  -6.703  -6.703
  396   2HG1  ILE  61          3HG1      ILE  61  -2.816  -5.107  -5.107
  397   1HG2  ILE  61          2HG2      ILE  61   1.325  -5.493  -5.493
  398   2HG2  ILE  61          3HG2      ILE  61   0.412  -6.966  -6.966
  399   3HG2  ILE  61          1HG2      ILE  61   0.076  -6.101  -6.101
  400   1HD1  ILE  61          2HD1      ILE  61  -1.810  -5.515  -5.515
  401   2HD1  ILE  61          3HD1      ILE  61  -2.470  -7.100  -7.100
  402   3HD1  ILE  61          1HD1      ILE  61  -3.511  -5.656  -5.656
  403    H    LEU  62           HN       LEU  62  -1.230  -5.830  -5.830
  404    HA   LEU  62           HA       LEU  62   0.934  -7.729  -7.729
  405   1HB   LEU  62          2HB       LEU  62  -1.412  -7.089  -7.089
  406   2HB   LEU  62          3HB       LEU  62  -0.043  -8.104  -8.104
  407    HG   LEU  62           HG       LEU  62   0.183  -5.160  -5.160
  408   1HD1  LEU  62          3HD1      LEU  62  -0.045  -6.524  -6.524
  409   2HD1  LEU  62          1HD1      LEU  62   0.520  -4.853  -4.853
  410   3HD1  LEU  62          2HD1      LEU  62  -1.135  -5.305  -5.305
  411   1HD2  LEU  62          1HD2      LEU  62   2.168  -6.870  -6.870
  412   2HD2  LEU  62          2HD2      LEU  62   2.415  -5.269  -5.269
  413   3HD2  LEU  62          3HD2      LEU  62   2.227  -6.706  -6.706
  414    H    SER  63           HN       SER  63   0.833  -9.728  -9.728
  415    HA   SER  63           HA       SER  63  -1.418 -10.651 -10.651
  416   1HB   SER  63          2HB       SER  63   1.275 -11.487 -11.487
  417   2HB   SER  63          3HB       SER  63   0.278 -12.846 -12.846
  418    HG   SER  63           HG       SER  63   0.708 -11.742 -11.742
  419    H    SER  64           HN       SER  64  -0.742 -10.430 -10.430
  420    HA   SER  64           HA       SER  64  -2.147 -12.782 -12.782
  421   1HB   SER  64          2HB       SER  64  -0.793 -10.495 -10.495
  422   2HB   SER  64          3HB       SER  64  -2.052 -11.311 -11.311
  423    HG   SER  64           HG       SER  64   0.510 -12.144 -12.144
  424    H    GLY  65           HN       GLY  65  -2.966  -9.574  -9.574
  425   1HA   GLY  65          1HA       GLY  65  -5.058  -8.748  -8.748
  426   2HA   GLY  65          2HA       GLY  65  -5.769 -10.067 -10.067
  427    H    ASP  66           HN       ASP  66  -3.143  -7.869  -7.869
  428    HA   ASP  66           HA       ASP  66  -4.987  -7.028  -7.028
  429   1HB   ASP  66          2HB       ASP  66  -1.949  -7.220  -7.220
  430   2HB   ASP  66          3HB       ASP  66  -2.763  -6.334  -6.334
  431    H    VAL  67           HN       VAL  67  -3.770  -4.718  -4.718
  432    HA   VAL  67           HA       VAL  67  -3.632  -3.017  -3.017
  433    HB   VAL  67           HB       VAL  67  -4.927  -2.645  -2.645
  434   1HG1  VAL  67          2HG1      VAL  67  -3.950  -0.500  -0.500
  435   2HG1  VAL  67          3HG1      VAL  67  -5.311  -0.230  -0.230
  436   3HG1  VAL  67          1HG1      VAL  67  -3.701  -0.636  -0.636
  437   1HG2  VAL  67          3HG2      VAL  67  -5.784  -2.800  -2.800
  438   2HG2  VAL  67          1HG2      VAL  67  -6.615  -3.326  -3.326
  439   3HG2  VAL  67          2HG2      VAL  67  -6.628  -1.609  -1.609
  440    H    TYR  68           HN       TYR  68  -1.461  -2.727  -2.727
  441    HA   TYR  68           HA       TYR  68   0.607  -2.932  -2.932
  442   1HB   TYR  68          2HB       TYR  68   0.746  -2.265  -2.265
  443   2HB   TYR  68          3HB       TYR  68  -0.133  -0.782  -0.782
  444    HD1  TYR  68           HD1      TYR  68   2.918  -2.404  -2.404
  445    HD2  TYR  68           HD2      TYR  68   1.187   1.100   1.100
  446    HE1  TYR  68           HE1      TYR  68   5.114  -1.160  -1.160
  447    HE2  TYR  68           HE2      TYR  68   3.389   2.332   2.332
  448    HH   TYR  68           HH       TYR  68   5.585   2.025   2.025
  449    H    SER  69           HN       SER  69   1.346  -2.069  -2.069
  450    HA   SER  69           HA       SER  69  -0.011   0.329   0.329
  451   1HB   SER  69          2HB       SER  69   0.634  -0.321  -0.321
  452   2HB   SER  69          3HB       SER  69  -0.023  -1.738  -1.738
  453    HG   SER  69           HG       SER  69   2.080  -1.971  -1.971
  454    H    GLY  70           HN       GLY  70   1.837   0.831   0.831
  455   1HA   GLY  70          1HA       GLY  70   3.572   2.183   2.183
  456   2HA   GLY  70          2HA       GLY  70   3.604   2.655   2.655
  457    H    GLY  71           HN       GLY  71   5.924   2.199   2.199
  458   1HA   GLY  71          1HA       GLY  71   7.870   1.270   1.270
  459   2HA   GLY  71          2HA       GLY  71   7.063  -0.269  -0.269
  460    H    SER  72           HN       SER  72   8.518  -1.322  -1.322
  461    HA   SER  72           HA       SER  72   8.907  -0.004  -0.004
  462   1HB   SER  72          2HB       SER  72  10.917  -1.971  -1.971
  463   2HB   SER  72          3HB       SER  72  11.149  -0.763  -0.763
  464    HG   SER  72           HG       SER  72  11.799   0.585   0.585
  465    HA   PRO  73           HA       PRO  73   6.860  -4.022  -4.022
  466   1HB   PRO  73          2HB       PRO  73   4.783  -3.158  -3.158
  467   2HB   PRO  73          3HB       PRO  73   4.669  -3.336  -3.336
  468   1HG   PRO  73          2HG       PRO  73   4.911  -0.861  -0.861
  469   2HG   PRO  73          3HG       PRO  73   4.377  -1.050  -1.050
  470   1HD   PRO  73          2HD       PRO  73   6.934  -0.097  -0.097
  471   2HD   PRO  73          3HD       PRO  73   6.441  -0.396  -0.396
  472    H    GLY  74           HN       GLY  74   9.201  -3.132  -3.132
  473   1HA   GLY  74          1HA       GLY  74   8.999  -2.923  -2.923
  474   2HA   GLY  74          2HA       GLY  74  10.392  -3.486  -3.486
  475    H    ALA  75           HN       ALA  75   8.069  -4.355  -4.355
  476    HA   ALA  75           HA       ALA  75   8.881  -6.686  -6.686
  477   1HB   ALA  75          1HB       ALA  75   7.612  -7.073  -7.073
  478   2HB   ALA  75          2HB       ALA  75   7.417  -8.337  -8.337
  479   3HB   ALA  75          3HB       ALA  75   9.046  -7.858  -7.858
  480    H    ASP  76           HN       ASP  76   5.731  -5.938  -5.938
  481    HA   ASP  76           HA       ASP  76   4.536  -6.075  -6.075
  482   1HB   ASP  76          2HB       ASP  76   3.184  -6.757  -6.757
  483   2HB   ASP  76          3HB       ASP  76   2.495  -6.958  -6.958
  484    H    ARG  77           HN       ARG  77   3.714  -4.060  -4.060
  485    HA   ARG  77           HA       ARG  77   2.524  -2.478  -2.478
  486   1HB   ARG  77          2HB       ARG  77   4.583  -1.404  -1.404
  487   2HB   ARG  77          3HB       ARG  77   3.660  -0.407  -0.407
  488   1HG   ARG  77          2HG       ARG  77   5.013  -2.652  -2.652
  489   2HG   ARG  77          3HG       ARG  77   6.141  -1.600  -1.600
  490   1HD   ARG  77          2HD       ARG  77   4.122  -0.008  -0.008
  491   2HD   ARG  77          3HD       ARG  77   4.886  -1.128  -1.128
  492    HE   ARG  77           HE       ARG  77   6.263   1.009   1.009
  493   1HH1  ARG  77           HH2      ARG  77   6.438  -1.580  -1.580
  494   2HH1  ARG  77           HH2      ARG  77   7.991  -1.099  -1.099
  495   1HH2  ARG  77           HH1      ARG  77   8.310   1.645   1.645
  496   2HH2  ARG  77           HH1      ARG  77   9.063   0.748   0.748
  497    H    VAL  78           HN       VAL  78   0.779  -1.138  -1.138
  498    HA   VAL  78           HA       VAL  78   0.108  -1.568  -1.568
  499    HB   VAL  78           HB       VAL  78  -2.259  -1.229  -1.229
  500   1HG1  VAL  78          2HG1      VAL  78  -0.512  -3.593  -3.593
  501   2HG1  VAL  78          3HG1      VAL  78  -2.113  -3.635  -3.635
  502   3HG1  VAL  78          1HG1      VAL  78  -1.984  -3.417  -3.417
  503   1HG2  VAL  78          2HG2      VAL  78  -1.583  -0.222  -0.222
  504   2HG2  VAL  78          3HG2      VAL  78  -2.767  -1.545  -1.545
  505   3HG2  VAL  78          1HG2      VAL  78  -1.055  -1.842  -1.842
  506    H    VAL  79           HN       VAL  79  -0.782   0.219   0.219
  507    HA   VAL  79           HA       VAL  79  -0.498   2.797   2.797
  508    HB   VAL  79           HB       VAL  79   0.484   2.068   2.068
  509   1HG1  VAL  79          1HG1      VAL  79  -0.411   4.557   4.557
  510   2HG1  VAL  79          2HG1      VAL  79   1.367   4.639   4.639
  511   3HG1  VAL  79          3HG1      VAL  79   0.531   4.238   4.238
  512   1HG2  VAL  79          2HG2      VAL  79   1.753   1.529   1.529
  513   2HG2  VAL  79          3HG2      VAL  79   2.590   1.897   1.897
  514   3HG2  VAL  79          1HG2      VAL  79   2.341   3.178   3.178
  515    H    PHE  80           HN       PHE  80  -2.520   3.628   3.628
  516    HA   PHE  80           HA       PHE  80  -4.220   3.260   3.260
  517   1HB   PHE  80          2HB       PHE  80  -6.100   3.248   3.248
  518   2HB   PHE  80          3HB       PHE  80  -4.931   2.033   2.033
  519    HD1  PHE  80           HD2      PHE  80  -3.103   2.859   2.859
  520    HD2  PHE  80           HD1      PHE  80  -6.862   4.737   4.737
  521    HE1  PHE  80           HE2      PHE  80  -2.942   3.901   3.901
  522    HE2  PHE  80           HE1      PHE  80  -6.700   5.780   5.780
  523    HZ   PHE  80           HZ       PHE  80  -4.743   5.349   5.349
  524    H    ASN  81           HN       ASN  81  -6.274   5.027   5.027
  525    HA   ASN  81           HA       ASN  81  -4.835   7.546   7.546
  526   1HB   ASN  81          2HB       ASN  81  -7.321   7.515   7.515
  527   2HB   ASN  81          3HB       ASN  81  -5.846   8.434   8.434
  528   1HD2  ASN  81          1HD2      ASN  81  -7.127   5.123   5.123
  529   2HD2  ASN  81          2HD2      ASN  81  -6.166   4.540   4.540
  530    H    GLU  82           HN       GLU  82  -7.056   9.289   9.289
  531    HA   GLU  82           HA       GLU  82  -8.330   8.515   8.515
  532   1HB   GLU  82          2HB       GLU  82  -7.376  10.766  10.766
  533   2HB   GLU  82          3HB       GLU  82  -8.321  11.121  11.121
  534   1HG   GLU  82          2HG       GLU  82 -10.175  11.643  11.643
  535   2HG   GLU  82          3HG       GLU  82 -10.033  10.201  10.201
  536    H    ASN  83           HN       ASN  83  -8.956   7.374   7.374
  537    HA   ASN  83           HA       ASN  83 -11.747   8.180   8.180
  538   1HB   ASN  83          2HB       ASN  83 -11.252   6.460   6.460
  539   2HB   ASN  83          3HB       ASN  83 -11.310   8.210   8.210
  540   1HD2  ASN  83          2HD2      ASN  83  -7.812   6.120   6.120
  541   2HD2  ASN  83          1HD2      ASN  83  -9.346   5.382   5.382
  542    H    ASN  84           HN       ASN  84  -9.498   5.663   5.663
  543    HA   ASN  84           HA       ASN  84 -10.165   3.942   3.942
  544   1HB   ASN  84          2HB       ASN  84 -12.321   2.957   2.957
  545   2HB   ASN  84          3HB       ASN  84 -12.673   4.613   4.613
  546   1HD2  ASN  84          2HD2      ASN  84 -12.453   3.385   3.385
  547   2HD2  ASN  84          1HD2      ASN  84 -11.333   4.244   4.244
  548    H    GLN  85           HN       GLN  85  -8.753   4.352   4.352
  549    HA   GLN  85           HA       GLN  85  -9.045   1.635   1.635
  550   1HB   GLN  85          2HB       GLN  85  -8.029   4.125   4.125
  551   2HB   GLN  85          3HB       GLN  85  -8.112   2.521   2.521
  552   1HG   GLN  85          2HG       GLN  85 -10.557   2.478   2.478
  553   2HG   GLN  85          3HG       GLN  85 -10.542   3.985   3.985
  554   1HE2  GLN  85          2HE2      GLN  85 -10.220   6.129   6.129
  555   2HE2  GLN  85          1HE2      GLN  85 -10.124   5.927   5.927
  556    H    LEU  86           HN       LEU  86  -7.392   0.287   0.287
  557    HA   LEU  86           HA       LEU  86  -4.843   1.540   1.540
  558   1HB   LEU  86          2HB       LEU  86  -5.761   0.310   0.310
  559   2HB   LEU  86          3HB       LEU  86  -6.157  -1.056  -1.056
  560    HG   LEU  86           HG       LEU  86  -3.337  -0.162  -0.162
  561   1HD1  LEU  86          1HD1      LEU  86  -5.244  -1.923  -1.923
  562   2HD1  LEU  86          2HD1      LEU  86  -3.597  -2.568  -2.568
  563   3HD1  LEU  86          3HD1      LEU  86  -3.844  -1.005  -1.005
  564   1HD2  LEU  86          1HD2      LEU  86  -4.414  -2.017  -2.017
  565   2HD2  LEU  86          2HD2      LEU  86  -2.746  -1.437  -1.437
  566   3HD2  LEU  86          3HD2      LEU  86  -3.337  -2.839  -2.839
  567    H    ALA  87           HN       ALA  87  -2.868   0.766   0.766
  568    HA   ALA  87           HA       ALA  87  -3.020  -1.260  -1.260
  569   1HB   ALA  87          3HB       ALA  87  -2.300   1.631   1.631
  570   2HB   ALA  87          1HB       ALA  87  -2.074   0.254   0.254
  571   3HB   ALA  87          2HB       ALA  87  -3.713   0.737   0.737
  572    H    GLY  88           HN       GLY  88  -1.207   1.224   1.224
  573   1HA   GLY  88          1HA       GLY  88   1.387   0.491   0.491
  574   2HA   GLY  88          2HA       GLY  88   0.831   1.157   1.157
  575    H    VAL  89           HN       VAL  89   0.340  -2.013  -2.013
  576    HA   VAL  89           HA       VAL  89   0.612  -3.388  -3.388
  577    HB   VAL  89           HB       VAL  89  -0.340  -3.961  -3.961
  578   1HG1  VAL  89          3HG1      VAL  89   1.031  -6.065  -6.065
  579   2HG1  VAL  89          1HG1      VAL  89  -0.192  -6.463  -6.463
  580   3HG1  VAL  89          2HG1      VAL  89   1.321  -5.653  -5.653
  581   1HG2  VAL  89          3HG2      VAL  89  -1.284  -4.060  -4.060
  582   2HG2  VAL  89          1HG2      VAL  89  -2.207  -4.015  -4.015
  583   3HG2  VAL  89          2HG2      VAL  89  -1.644  -5.572  -5.572
  584    H    ILE  90           HN       ILE  90   2.935  -1.863  -1.863
  585    HA   ILE  90           HA       ILE  90   4.795  -3.543  -3.543
  586    HB   ILE  90           HB       ILE  90   6.390  -1.902  -1.902
  587   1HG1  ILE  90          2HG1      ILE  90   5.302  -1.857  -1.857
  588   2HG1  ILE  90          3HG1      ILE  90   6.531  -0.758  -0.758
  589   1HG2  ILE  90          2HG2      ILE  90   4.495  -1.274  -1.274
  590   2HG2  ILE  90          3HG2      ILE  90   3.804  -0.351  -0.351
  591   3HG2  ILE  90          1HG2      ILE  90   5.408   0.078   0.078
  592   1HD1  ILE  90          3HD1      ILE  90   4.750   0.834   0.834
  593   2HD1  ILE  90          1HD1      ILE  90   3.517  -0.277  -0.277
  594   3HD1  ILE  90          2HD1      ILE  90   4.672   0.508   0.508
  595    H    THR  91           HN       THR  91   6.983  -4.058  -4.058
  596    HA   THR  91           HA       THR  91   6.643  -4.851  -4.851
  597    HB   THR  91           HB       THR  91   5.433  -6.752  -6.752
  598    HG1  THR  91           HG1      THR  91   7.616  -7.378  -7.378
  599   1HG2  THR  91          3HG2      THR  91   7.049  -6.883  -6.883
  600   2HG2  THR  91          1HG2      THR  91   5.696  -7.948  -7.948
  601   3HG2  THR  91          2HG2      THR  91   5.400  -6.223  -6.223
  602    H    HIS  92           HN       HIS  92   8.601  -5.515  -5.515
  603    HA   HIS  92           HA       HIS  92  10.863  -4.476  -4.476
  604   1HB   HIS  92          2HB       HIS  92  10.454  -5.916  -5.916
  605   2HB   HIS  92          3HB       HIS  92  12.044  -5.432  -5.432
  606    HD1  HIS  92           HD1      HIS  92  12.673  -3.429  -3.429
  607    HD2  HIS  92           HD2      HIS  92   8.697  -3.253  -3.253
  608    HE1  HIS  92           HE1      HIS  92  11.774  -1.159  -1.159
  609    HE2  HIS  92           HE2      HIS  92   9.344  -1.086  -1.086
  610    H    THR  93           HN       THR  93   9.196  -7.242  -7.242
  611    HA   THR  93           HA       THR  93  10.637  -9.438  -9.438
  612    HB   THR  93           HB       THR  93   9.024  -8.104  -8.104
  613    HG1  THR  93           HG1      THR  93   8.356  -9.409  -9.409
  614   1HG2  THR  93          3HG2      THR  93  10.980 -10.305 -10.305
  615   2HG2  THR  93          1HG2      THR  93   9.306 -10.732 -10.732
  616   3HG2  THR  93          2HG2      THR  93  10.094  -9.332  -9.332
  617    H    GLY  94           HN       GLY  94  12.857  -9.105  -9.105
  618   1HA   GLY  94          1HA       GLY  94  15.002  -8.518  -8.518
  619   2HA   GLY  94          2HA       GLY  94  14.654  -9.660  -9.660
  620    H    ALA  95           HN       ALA  95  13.229  -6.370  -6.370
  621    HA   ALA  95           HA       ALA  95  13.418  -5.650  -5.650
  622   1HB   ALA  95          3HB       ALA  95  12.606  -4.512  -4.512
  623   2HB   ALA  95          1HB       ALA  95  13.723  -3.348  -3.348
  624   3HB   ALA  95          2HB       ALA  95  12.284  -3.900  -3.900
  625    H    SER  96           HN       SER  96  14.787  -3.630  -3.630
  626    HA   SER  96           HA       SER  96  17.414  -4.503  -4.503
  627   1HB   SER  96          2HB       SER  96  16.610  -3.210  -3.210
  628   2HB   SER  96          3HB       SER  96  16.026  -1.926  -1.926
  629    HG   SER  96           HG       SER  96  18.144  -1.609  -1.609
  630    H    GLY  97           HN       GLY  97  15.963  -3.524  -3.524
  631   1HA   GLY  97          1HA       GLY  97  18.008  -3.123  -3.123
  632   2HA   GLY  97          2HA       GLY  97  17.890  -1.534  -1.534
  633    H    ASN  98           HN       ASN  98  16.722  -0.108  -0.108
  634    HA   ASN  98           HA       ASN  98  14.793  -1.196  -1.196
  635   1HB   ASN  98          2HB       ASN  98  16.297   0.487   0.487
  636   2HB   ASN  98          3HB       ASN  98  15.995   1.583   1.583
  637   1HD2  ASN  98          2HD2      ASN  98  12.641   0.912   0.912
  638   2HD2  ASN  98          1HD2      ASN  98  13.531  -0.372  -0.372
  639    H    ASN  99           HN       ASN  99  14.804  -0.376  -0.376
  640    HA   ASN  99           HA       ASN  99  12.740   1.467   1.467
  641   1HB   ASN  99          2HB       ASN  99  12.611   0.676   0.676
  642   2HB   ASN  99          3HB       ASN  99  14.277   0.909   0.909
  643   1HD2  ASN  99          2HD2      ASN  99  15.232  -2.478  -2.478
  644   2HD2  ASN  99          1HD2      ASN  99  15.567  -0.893  -0.893
  645    H    PHE 100           HN       PHE 100  10.894   0.188   0.188
  646    HA   PHE 100           HA       PHE 100   9.779  -2.019  -2.019
  647   1HB   PHE 100          2HB       PHE 100   8.559   0.687   0.687
  648   2HB   PHE 100          3HB       PHE 100   7.513  -0.698  -0.698
  649    HD1  PHE 100           HD2      PHE 100   7.916  -1.990  -1.990
  650    HD2  PHE 100           HD1      PHE 100   9.022   2.044   2.044
  651    HE1  PHE 100           HE2      PHE 100   7.913  -1.553  -1.553
  652    HE2  PHE 100           HE1      PHE 100   9.018   2.481   2.481
  653    HZ   PHE 100           HZ       PHE 100   8.464   0.677   0.677
  654    H    VAL 101           HN       VAL 101   7.755  -2.927  -2.927
  655    HA   VAL 101           HA       VAL 101   7.763  -2.458  -2.458
  656    HB   VAL 101           HB       VAL 101   8.487  -4.681  -4.681
  657   1HG1  VAL 101          3HG1      VAL 101  10.112  -2.783  -2.783
  658   2HG1  VAL 101          1HG1      VAL 101  10.613  -3.373  -3.373
  659   3HG1  VAL 101          2HG1      VAL 101  10.863  -4.388  -4.388
  660   1HG2  VAL 101          2HG2      VAL 101   8.259  -5.241  -5.241
  661   2HG2  VAL 101          3HG2      VAL 101   8.532  -6.366  -6.366
  662   3HG2  VAL 101          1HG2      VAL 101   9.917  -5.601  -5.601
  663    H    GLU 102           HN       GLU 102   5.690  -2.734  -2.734
  664    HA   GLU 102           HA       GLU 102   3.739  -3.493  -3.493
  665   1HB   GLU 102          2HB       GLU 102   2.451  -3.893  -3.893
  666   2HB   GLU 102          3HB       GLU 102   2.853  -2.287  -2.287
  667   1HG   GLU 102          2HG       GLU 102   4.780  -2.132  -2.132
  668   2HG   GLU 102          3HG       GLU 102   4.783  -3.855  -3.855
  669    H    CYS 103           HN       CYS 103   3.028  -5.442  -5.442
  670    HA   CYS 103           HA       CYS 103   4.320  -7.783  -7.783
  671   1HB   CYS 103          2HB       CYS 103   1.481  -7.329  -7.329
  672   2HB   CYS 103          3HB       CYS 103   2.276  -8.890  -8.890
  673    H    THR 104           HN       THR 104   2.785  -9.845  -9.845
  674    HA   THR 104           HA       THR 104   1.969  -9.079  -9.079
  675    HB   THR 104           HB       THR 104   2.706 -11.395 -11.395
  676    HG1  THR 104           HG1      THR 104   3.227 -12.747 -12.747
  677   1HG2  THR 104          2HG2      THR 104   4.435  -9.344  -9.344
  678   2HG2  THR 104          3HG2      THR 104   4.976 -10.471 -10.471
  679   3HG2  THR 104          1HG2      THR 104   4.998 -10.973 -10.973

  Start of MODEL   26
    1    H    ALA   1           HN       ALA   1  -8.663 -16.688 -16.688
    2    HA   ALA   1           HA       ALA   1  -6.658 -16.290 -16.290
    3   1HB   ALA   1          1HB       ALA   1  -8.848 -14.477 -14.477
    4   2HB   ALA   1          2HB       ALA   1  -7.284 -13.695 -13.695
    5   3HB   ALA   1          3HB       ALA   1  -7.690 -15.247 -15.247
    6    H    CYS   2           HN       CYS   2  -4.659 -15.036 -15.036
    7    HA   CYS   2           HA       CYS   2  -4.222 -13.475 -13.475
    8   1HB   CYS   2          2HB       CYS   2  -1.782 -14.131 -14.131
    9   2HB   CYS   2          3HB       CYS   2  -2.324 -14.574 -14.574
   10    H    ASP   3           HN       ASP   3  -5.519 -11.843 -11.843
   11    HA   ASP   3           HA       ASP   3  -4.646 -10.797 -10.797
   12   1HB   ASP   3          2HB       ASP   3  -5.469  -9.194  -9.194
   13   2HB   ASP   3          3HB       ASP   3  -5.476  -8.569  -8.569
   14    H    TYR   4           HN       TYR   4  -3.083 -10.630 -10.630
   15    HA   TYR   4           HA       TYR   4  -0.820  -9.248  -9.248
   16   1HB   TYR   4          2HB       TYR   4  -2.109  -8.680  -8.680
   17   2HB   TYR   4          3HB       TYR   4  -0.725  -7.829  -7.829
   18    HD1  TYR   4           HD2      TYR   4  -1.075  -6.474  -6.474
   19    HD2  TYR   4           HD1      TYR   4  -4.293  -7.897  -7.897
   20    HE1  TYR   4           HE2      TYR   4  -2.633  -4.758  -4.758
   21    HE2  TYR   4           HE1      TYR   4  -5.841  -6.176  -6.176
   22    HH   TYR   4           HH       TYR   4  -5.993  -4.915  -4.915
   23    H    THR   5           HN       THR   5   0.794 -10.735 -10.735
   24    HA   THR   5           HA       THR   5   1.042 -12.177 -12.177
   25    HB   THR   5           HB       THR   5   1.319 -13.050 -13.050
   26    HG1  THR   5           HG1      THR   5   0.206 -14.901 -14.901
   27   1HG2  THR   5          3HG2      THR   5   3.386 -13.666 -13.666
   28   2HG2  THR   5          1HG2      THR   5   2.208 -14.842 -14.842
   29   3HG2  THR   5          2HG2      THR   5   2.673 -14.883 -14.883
   30    H    CYS   6           HN       CYS   6   2.541 -11.077 -11.077
   31    HA   CYS   6           HA       CYS   6   4.714  -9.817  -9.817
   32   1HB   CYS   6          2HB       CYS   6   3.867 -10.099 -10.099
   33   2HB   CYS   6          3HB       CYS   6   5.475  -9.520  -9.520
   34    H    GLY   7           HN       GLY   7   5.265 -12.042 -12.042
   35   1HA   GLY   7          1HA       GLY   7   7.055 -13.467 -13.467
   36   2HA   GLY   7          2HA       GLY   7   7.445 -13.211 -13.211
   37    H    SER   8           HN       SER   8   5.023 -13.818 -13.818
   38    HA   SER   8           HA       SER   8   4.020 -16.274 -16.274
   39   1HB   SER   8          2HB       SER   8   5.027 -17.815 -17.815
   40   2HB   SER   8          3HB       SER   8   6.359 -16.693 -16.693
   41    HG   SER   8           HG       SER   8   4.664 -17.140 -17.140
   42    H    ASN   9           HN       ASN   9   2.653 -13.959 -13.959
   43    HA   ASN   9           HA       ASN   9   1.398 -14.494 -14.494
   44   1HB   ASN   9          2HB       ASN   9   1.471 -11.820 -11.820
   45   2HB   ASN   9          3HB       ASN   9   0.814 -12.091 -12.091
   46   1HD2  ASN   9          2HD2      ASN   9   4.922 -12.256 -12.256
   47   2HD2  ASN   9          1HD2      ASN   9   3.800 -12.719 -12.719
   48    H    CYS  10           HN       CYS  10  -0.897 -12.813 -12.813
   49    HA   CYS  10           HA       CYS  10  -2.043 -13.171 -13.171
   50   1HB   CYS  10          2HB       CYS  10  -2.075 -15.538 -15.538
   51   2HB   CYS  10          3HB       CYS  10  -2.999 -15.120 -15.120
   52    H    TYR  11           HN       TYR  11  -2.197 -10.857 -10.857
   53    HA   TYR  11           HA       TYR  11  -4.066 -10.382 -10.382
   54   1HB   TYR  11          2HB       TYR  11  -2.749  -8.408  -8.408
   55   2HB   TYR  11          3HB       TYR  11  -3.243  -8.088  -8.088
   56    HD1  TYR  11           HD1      TYR  11  -1.964  -9.350  -9.350
   57    HD2  TYR  11           HD2      TYR  11  -0.523  -8.979  -8.979
   58    HE1  TYR  11           HE1      TYR  11   0.401  -9.840  -9.840
   59    HE2  TYR  11           HE2      TYR  11   1.837  -9.472  -9.472
   60    HH   TYR  11           HH       TYR  11   3.096  -9.235  -9.235
   61    H    SER  12           HN       SER  12  -5.370 -11.767 -11.767
   62    HA   SER  12           HA       SER  12  -6.405 -10.812 -10.812
   63   1HB   SER  12          2HB       SER  12  -7.332 -12.576 -12.576
   64   2HB   SER  12          3HB       SER  12  -8.598 -11.364 -11.364
   65    HG   SER  12           HG       SER  12  -8.056 -13.263 -13.263
   66    H    SER  13           HN       SER  13  -8.076  -9.302  -9.302
   67    HA   SER  13           HA       SER  13  -7.838  -6.796  -6.796
   68   1HB   SER  13          2HB       SER  13  -9.828  -6.313  -6.313
   69   2HB   SER  13          3HB       SER  13  -9.260  -7.816  -7.816
   70    HG   SER  13           HG       SER  13 -10.823  -8.982  -8.982
   71    H    SER  14           HN       SER  14  -9.488  -9.322  -9.322
   72    HA   SER  14           HA       SER  14 -10.980  -7.488  -7.488
   73   1HB   SER  14          2HB       SER  14 -11.797  -9.790  -9.790
   74   2HB   SER  14          3HB       SER  14 -10.438 -10.468 -10.468
   75    HG   SER  14           HG       SER  14 -11.251  -9.237  -9.237
   76    H    ASP  15           HN       ASP  15  -7.789  -8.960  -8.960
   77    HA   ASP  15           HA       ASP  15  -7.382  -8.632  -8.632
   78   1HB   ASP  15          2HB       ASP  15  -5.883  -9.662  -9.662
   79   2HB   ASP  15          3HB       ASP  15  -4.861  -8.863  -8.863
   80    H    VAL  16           HN       VAL  16  -6.929  -6.827  -6.827
   81    HA   VAL  16           HA       VAL  16  -5.052  -4.961  -4.961
   82    HB   VAL  16           HB       VAL  16  -6.763  -4.912  -4.912
   83   1HG1  VAL  16          1HG1      VAL  16  -5.500  -2.760  -2.760
   84   2HG1  VAL  16          2HG1      VAL  16  -4.225  -3.401  -3.401
   85   3HG1  VAL  16          3HG1      VAL  16  -5.811  -2.963  -2.963
   86   1HG2  VAL  16          3HG2      VAL  16  -4.281  -6.313  -6.313
   87   2HG2  VAL  16          1HG2      VAL  16  -5.411  -6.591  -6.591
   88   3HG2  VAL  16          2HG2      VAL  16  -4.150  -5.342  -5.342
   89    H    SER  17           HN       SER  17  -8.456  -4.546  -4.546
   90    HA   SER  17           HA       SER  17  -8.970  -2.116  -2.116
   91   1HB   SER  17          2HB       SER  17 -10.618  -3.576  -3.576
   92   2HB   SER  17          3HB       SER  17 -10.807  -4.527  -4.527
   93    HG   SER  17           HG       SER  17 -11.377  -2.267  -2.267
   94    H    THR  18           HN       THR  18  -9.144  -5.081  -5.081
   95    HA   THR  18           HA       THR  18  -9.998  -3.877  -3.877
   96    HB   THR  18           HB       THR  18  -8.428  -6.334  -6.334
   97    HG1  THR  18           HG1      THR  18 -10.386  -7.046  -7.046
   98   1HG2  THR  18          1HG2      THR  18  -8.714  -5.196  -5.196
   99   2HG2  THR  18          2HG2      THR  18  -8.704  -6.955  -6.955
  100   3HG2  THR  18          3HG2      THR  18  -7.292  -5.974  -5.974
  101    H    ALA  19           HN       ALA  19  -6.589  -4.379  -4.379
  102    HA   ALA  19           HA       ALA  19  -5.433  -3.134  -3.134
  103   1HB   ALA  19          3HB       ALA  19  -4.338  -4.627  -4.627
  104   2HB   ALA  19          1HB       ALA  19  -4.353  -3.235  -3.235
  105   3HB   ALA  19          2HB       ALA  19  -3.423  -3.156  -3.156
  106    H    GLN  20           HN       GLN  20  -6.567  -1.873  -1.873
  107    HA   GLN  20           HA       GLN  20  -5.569   0.676   0.676
  108   1HB   GLN  20          2HB       GLN  20  -8.170   0.020   0.020
  109   2HB   GLN  20          3HB       GLN  20  -7.025   1.290   1.290
  110   1HG   GLN  20          2HG       GLN  20  -5.408  -0.251  -0.251
  111   2HG   GLN  20          3HG       GLN  20  -6.154  -1.620  -1.620
  112   1HE2  GLN  20          2HE2      GLN  20  -8.250   0.037   0.037
  113   2HE2  GLN  20          1HE2      GLN  20  -7.517   1.020   1.020
  114    H    ALA  21           HN       ALA  21  -8.896  -0.613  -0.613
  115    HA   ALA  21           HA       ALA  21 -10.216   1.506   1.506
  116   1HB   ALA  21          2HB       ALA  21  -9.963  -1.167  -1.167
  117   2HB   ALA  21          3HB       ALA  21 -11.267   0.012   0.012
  118   3HB   ALA  21          1HB       ALA  21 -11.092  -0.765  -0.765
  119    H    ALA  22           HN       ALA  22  -7.459  -0.023  -0.023
  120    HA   ALA  22           HA       ALA  22  -7.737   1.639   1.639
  121   1HB   ALA  22          3HB       ALA  22  -6.595  -0.720  -0.720
  122   2HB   ALA  22          1HB       ALA  22  -5.176   0.264   0.264
  123   3HB   ALA  22          2HB       ALA  22  -5.922   0.432   0.432
  124    H    GLY  23           HN       GLY  23  -5.461   1.536   1.536
  125   1HA   GLY  23          1HA       GLY  23  -3.898   3.708   3.708
  126   2HA   GLY  23          2HA       GLY  23  -4.324   3.187   3.187
  127    H    TYR  24           HN       TYR  24  -7.191   3.626   3.626
  128    HA   TYR  24           HA       TYR  24  -7.203   6.428   6.428
  129   1HB   TYR  24          2HB       TYR  24  -8.547   4.783   4.783
  130   2HB   TYR  24          3HB       TYR  24  -9.251   4.141   4.141
  131    HD1  TYR  24           HD2      TYR  24  -8.857   7.758   7.758
  132    HD2  TYR  24           HD1      TYR  24 -11.555   4.447   4.447
  133    HE1  TYR  24           HE2      TYR  24 -10.831   9.339   9.339
  134    HE2  TYR  24           HE1      TYR  24 -13.521   6.040   6.040
  135    HH   TYR  24           HH       TYR  24 -14.151   8.075   8.075
  136    H    LYS  25           HN       LYS  25  -9.478   4.516   4.516
  137    HA   LYS  25           HA       LYS  25 -10.577   6.463   6.463
  138   1HB   LYS  25          2HB       LYS  25 -11.398   4.431   4.431
  139   2HB   LYS  25          3HB       LYS  25  -9.824   3.660   3.660
  140   1HG   LYS  25          2HG       LYS  25 -10.490   5.751   5.751
  141   2HG   LYS  25          3HG       LYS  25 -11.078   4.111   4.111
  142   1HD   LYS  25          2HD       LYS  25  -8.342   3.840   3.840
  143   2HD   LYS  25          3HD       LYS  25  -8.380   5.161   5.161
  144   1HE   LYS  25          2HE       LYS  25  -9.772   2.492   2.492
  145   2HE   LYS  25          3HE       LYS  25  -8.120   2.807   2.807
  146   1HZ   LYS  25          3HZ       LYS  25 -10.452   4.394   4.394
  147   2HZ   LYS  25          1HZ       LYS  25  -9.683   3.289   3.289
  148   3HZ   LYS  25          2HZ       LYS  25  -8.911   4.657   4.657
  149    H    LEU  26           HN       LEU  26  -7.344   5.011   5.011
  150    HA   LEU  26           HA       LEU  26  -6.875   6.771   6.771
  151   1HB   LEU  26          2HB       LEU  26  -5.794   4.647   4.647
  152   2HB   LEU  26          3HB       LEU  26  -5.087   5.003   5.003
  153    HG   LEU  26           HG       LEU  26  -3.700   6.774   6.774
  154   1HD1  LEU  26          3HD1      LEU  26  -5.370   7.100   7.100
  155   2HD1  LEU  26          1HD1      LEU  26  -4.534   5.731   5.731
  156   3HD1  LEU  26          2HD1      LEU  26  -3.632   7.211   7.211
  157   1HD2  LEU  26          1HD2      LEU  26  -3.088   4.254   4.254
  158   2HD2  LEU  26          2HD2      LEU  26  -2.055   5.333   5.333
  159   3HD2  LEU  26          3HD2      LEU  26  -3.214   4.252   4.252
  160    H    HIS  27           HN       HIS  27  -6.246   6.871   6.871
  161    HA   HIS  27           HA       HIS  27  -4.514   9.067   9.067
  162   1HB   HIS  27          2HB       HIS  27  -4.412   7.866   7.866
  163   2HB   HIS  27          3HB       HIS  27  -6.150   7.684   7.684
  164    HD1  HIS  27           HD1      HIS  27  -3.749  10.693  10.693
  165    HD2  HIS  27           HD2      HIS  27  -7.114   9.191   9.191
  166    HE1  HIS  27           HE1      HIS  27  -4.294  12.373  12.373
  167    HE2  HIS  27           HE2      HIS  27  -6.335  11.369  11.369
  168    H    GLU  28           HN       GLU  28  -8.094   8.759   8.759
  169    HA   GLU  28           HA       GLU  28  -8.499  11.489  11.489
  170   1HB   GLU  28          2HB       GLU  28 -10.804  10.313  10.313
  171   2HB   GLU  28          3HB       GLU  28 -10.575  10.721  10.721
  172   1HG   GLU  28          2HG       GLU  28  -9.425   8.528   8.528
  173   2HG   GLU  28          3HG       GLU  28  -9.656   8.120   8.120
  174    H    ASP  29           HN       ASP  29  -7.871   9.532   9.532
  175    HA   ASP  29           HA       ASP  29  -9.005  11.409  11.409
  176   1HB   ASP  29          2HB       ASP  29  -7.008   9.150   9.150
  177   2HB   ASP  29          3HB       ASP  29  -7.921   9.990   9.990
  178    H    GLY  30           HN       GLY  30  -5.989  10.922  10.922
  179   1HA   GLY  30          1HA       GLY  30  -4.175  12.267  12.267
  180   2HA   GLY  30          2HA       GLY  30  -4.875  13.357  13.357
  181    H    GLU  31           HN       GLU  31  -4.721   9.952   9.952
  182    HA   GLU  31           HA       GLU  31  -2.685  10.658  10.658
  183   1HB   GLU  31          2HB       GLU  31  -4.862   8.586   8.586
  184   2HB   GLU  31          3HB       GLU  31  -3.447   8.208   8.208
  185   1HG   GLU  31          2HG       GLU  31  -4.970  10.830  10.830
  186   2HG   GLU  31          3HG       GLU  31  -5.397   9.389   9.389
  187    H    THR  32           HN       THR  32  -1.329   8.444   8.444
  188    HA   THR  32           HA       THR  32  -0.417   7.266   7.266
  189    HB   THR  32           HB       THR  32   1.913   7.710   7.710
  190    HG1  THR  32           HG1      THR  32   1.409   7.557   7.557
  191   1HG2  THR  32          1HG2      THR  32   0.181  10.204  10.204
  192   2HG2  THR  32          2HG2      THR  32   1.938  10.213  10.213
  193   3HG2  THR  32          3HG2      THR  32   0.831   9.644   9.644
  194    H    VAL  33           HN       VAL  33   1.302   5.440   5.440
  195    HA   VAL  33           HA       VAL  33   0.281   4.031   4.031
  196    HB   VAL  33           HB       VAL  33  -0.086   2.038   2.038
  197   1HG1  VAL  33          2HG1      VAL  33  -1.485   4.424   4.424
  198   2HG1  VAL  33          3HG1      VAL  33  -1.368   3.449   3.449
  199   3HG1  VAL  33          1HG1      VAL  33  -2.087   2.750   2.750
  200   1HG2  VAL  33          3HG2      VAL  33   1.199   3.409   3.409
  201   2HG2  VAL  33          1HG2      VAL  33   1.796   1.991   1.991
  202   3HG2  VAL  33          2HG2      VAL  33   0.321   1.864   1.864
  203    H    GLY  34           HN       GLY  34   1.791   2.432   2.432
  204   1HA   GLY  34          1HA       GLY  34   3.848   1.791   1.791
  205   2HA   GLY  34          2HA       GLY  34   4.276   1.834   1.834
  206    H    SER  35           HN       SER  35   6.433   2.588   2.588
  207    HA   SER  35           HA       SER  35   6.497   5.240   5.240
  208   1HB   SER  35          2HB       SER  35   9.102   4.669   4.669
  209   2HB   SER  35          3HB       SER  35   8.150   4.057   4.057
  210    HG   SER  35           HG       SER  35   8.949   2.173   2.173
  211    H    ASN  36           HN       ASN  36   5.337   5.260   5.260
  212    HA   ASN  36           HA       ASN  36   7.445   6.538   6.538
  213   1HB   ASN  36          2HB       ASN  36   5.841   4.168   4.168
  214   2HB   ASN  36          3HB       ASN  36   5.749   5.463   5.463
  215   1HD2  ASN  36          2HD2      ASN  36   8.576   3.575   3.575
  216   2HD2  ASN  36          1HD2      ASN  36   6.844   3.576   3.576
  217    H    SER  37           HN       SER  37   5.790   7.264   7.264
  218    HA   SER  37           HA       SER  37   3.694   8.778   8.778
  219   1HB   SER  37          2HB       SER  37   4.225  10.689  10.689
  220   2HB   SER  37          3HB       SER  37   5.815   9.992   9.992
  221    HG   SER  37           HG       SER  37   4.168   9.910   9.910
  222    H    TYR  38           HN       TYR  38   3.281   6.139   6.139
  223    HA   TYR  38           HA       TYR  38   2.057   6.510   6.510
  224   1HB   TYR  38          2HB       TYR  38   2.483   4.169   4.169
  225   2HB   TYR  38          3HB       TYR  38   1.727   3.967   3.967
  226    HD1  TYR  38           HD2      TYR  38   4.640   6.173   6.173
  227    HD2  TYR  38           HD1      TYR  38   3.298   2.473   2.473
  228    HE1  TYR  38           HE2      TYR  38   6.924   5.817   5.817
  229    HE2  TYR  38           HE1      TYR  38   5.586   2.129   2.129
  230    HH   TYR  38           HH       TYR  38   7.898   2.857   2.857
  231    HA   PRO  39           HA       PRO  39   0.693   5.469   5.469
  232   1HB   PRO  39          2HB       PRO  39  -1.445   6.355   6.355
  233   2HB   PRO  39          3HB       PRO  39  -1.307   4.713   4.713
  234   1HG   PRO  39          2HG       PRO  39  -3.004   6.915   6.915
  235   2HG   PRO  39          3HG       PRO  39  -3.152   5.194   5.194
  236   1HD   PRO  39          2HD       PRO  39  -2.114   7.157   7.157
  237   2HD   PRO  39          3HD       PRO  39  -2.156   5.423   5.423
  238    H    HIS  40           HN       HIS  40   0.468   6.934   6.934
  239    HA   HIS  40           HA       HIS  40   0.478   9.655   9.655
  240   1HB   HIS  40          2HB       HIS  40   2.790  10.276  10.276
  241   2HB   HIS  40          3HB       HIS  40   2.387   9.259   9.259
  242    HD1  HIS  40           HD1      HIS  40   4.100   8.982   8.982
  243    HD2  HIS  40           HD2      HIS  40   4.031   7.079   7.079
  244    HE1  HIS  40           HE1      HIS  40   5.958   7.233   7.233
  245    HE2  HIS  40           HE2      HIS  40   5.902   6.134   6.134
  246    H    LYS  41           HN       LYS  41   1.741  10.760  10.760
  247    HA   LYS  41           HA       LYS  41   0.774   9.705   9.705
  248   1HB   LYS  41          2HB       LYS  41   1.995  12.029  12.029
  249   2HB   LYS  41          3HB       LYS  41   3.240  11.318  11.318
  250   1HG   LYS  41          2HG       LYS  41   1.639  11.048  11.048
  251   2HG   LYS  41          3HG       LYS  41   0.322  11.620  11.620
  252   1HD   LYS  41          2HD       LYS  41   2.797  13.302  13.302
  253   2HD   LYS  41          3HD       LYS  41   1.350  13.357  13.357
  254   1HE   LYS  41          2HE       LYS  41   0.076  14.403  14.403
  255   2HE   LYS  41          3HE       LYS  41   0.998  13.694  13.694
  256   1HZ   LYS  41          3HZ       LYS  41   2.863  15.159  15.159
  257   2HZ   LYS  41          1HZ       LYS  41   1.591  16.042  16.042
  258   3HZ   LYS  41          2HZ       LYS  41   1.806  15.782  15.782
  259    H    TYR  42           HN       TYR  42   2.234   9.099   9.099
  260    HA   TYR  42           HA       TYR  42   4.536   7.515   7.515
  261   1HB   TYR  42          2HB       TYR  42   2.720   5.913   5.913
  262   2HB   TYR  42          3HB       TYR  42   1.818   6.499   6.499
  263    HD1  TYR  42           HD1      TYR  42   2.482   5.854   5.854
  264    HD2  TYR  42           HD2      TYR  42   4.480   4.268   4.268
  265    HE1  TYR  42           HE1      TYR  42   3.487   4.007   4.007
  266    HE2  TYR  42           HE2      TYR  42   5.478   2.425   2.425
  267    HH   TYR  42           HH       TYR  42   4.325   1.627   1.627
  268    H    ASN  43           HN       ASN  43   3.312   9.827   9.827
  269    HA   ASN  43           HA       ASN  43   3.129   9.808   9.808
  270   1HB   ASN  43          2HB       ASN  43   5.440  10.959  10.959
  271   2HB   ASN  43          3HB       ASN  43   5.698  10.864  10.864
  272   1HD2  ASN  43          2HD2      ASN  43   2.553  13.123  13.123
  273   2HD2  ASN  43          1HD2      ASN  43   3.125  11.703  11.703
  274    H    ASN  44           HN       ASN  44   3.190   7.585   7.585
  275    HA   ASN  44           HA       ASN  44   5.331   5.930   5.930
  276   1HB   ASN  44          2HB       ASN  44   4.228   4.715   4.715
  277   2HB   ASN  44          3HB       ASN  44   2.932   5.519   5.519
  278   1HD2  ASN  44          2HD2      ASN  44   3.994   6.584   6.584
  279   2HD2  ASN  44          1HD2      ASN  44   4.995   5.589   5.589
  280    H    TYR  45           HN       TYR  45   6.651   5.268   5.268
  281    HA   TYR  45           HA       TYR  45   7.099   7.137   7.137
  282   1HB   TYR  45          2HB       TYR  45   8.558   7.368   7.368
  283   2HB   TYR  45          3HB       TYR  45   9.606   7.397   7.397
  284    HD1  TYR  45           HD1      TYR  45   6.587   8.717   8.717
  285    HD2  TYR  45           HD2      TYR  45   9.922   9.731   9.731
  286    HE1  TYR  45           HE1      TYR  45   6.085  11.189  11.189
  287    HE2  TYR  45           HE2      TYR  45   9.408  12.199  12.199
  288    HH   TYR  45           HH       TYR  45   7.666  13.375  13.375
  289    H    GLU  46           HN       GLU  46   8.589   4.676   4.676
  290    HA   GLU  46           HA       GLU  46  10.555   3.745   3.745
  291   1HB   GLU  46          2HB       GLU  46   8.562   2.106   2.106
  292   2HB   GLU  46          3HB       GLU  46  10.095   1.489   1.489
  293   1HG   GLU  46          2HG       GLU  46   9.556   3.152   3.152
  294   2HG   GLU  46          3HG       GLU  46  11.022   2.290   2.290
  295    H    GLY  47           HN       GLY  47   7.157   3.722   3.722
  296   1HA   GLY  47          1HA       GLY  47   6.648   3.389   3.389
  297   2HA   GLY  47          2HA       GLY  47   7.708   1.993   1.993
  298    H    PHE  48           HN       PHE  48   4.990   3.219   3.219
  299    HA   PHE  48           HA       PHE  48   3.978   0.480   0.480
  300   1HB   PHE  48          2HB       PHE  48   3.515   3.055   3.055
  301   2HB   PHE  48          3HB       PHE  48   2.547   1.618   1.618
  302    HD1  PHE  48           HD2      PHE  48   3.637  -0.457  -0.457
  303    HD2  PHE  48           HD1      PHE  48   5.710   3.239   3.239
  304    HE1  PHE  48           HE2      PHE  48   5.360  -1.323  -1.323
  305    HE2  PHE  48           HE1      PHE  48   7.433   2.372   2.372
  306    HZ   PHE  48           HZ       PHE  48   7.237   0.101   0.101
  307    H    ASP  49           HN       ASP  49   1.910  -0.063  -0.063
  308    HA   ASP  49           HA       ASP  49   0.661   2.025   2.025
  309   1HB   ASP  49          2HB       ASP  49  -0.287  -0.832  -0.832
  310   2HB   ASP  49          3HB       ASP  49  -0.205   0.327   0.327
  311    H    PHE  50           HN       PHE  50  -0.243   2.979   2.979
  312    HA   PHE  50           HA       PHE  50  -2.089   1.369   1.369
  313   1HB   PHE  50          2HB       PHE  50  -1.344   4.352   4.352
  314   2HB   PHE  50          3HB       PHE  50  -2.462   3.705   3.705
  315    HD1  PHE  50           HD1      PHE  50  -0.346   1.092   1.092
  316    HD2  PHE  50           HD2      PHE  50  -0.281   5.116   5.116
  317    HE1  PHE  50           HE1      PHE  50   1.577   0.553   0.553
  318    HE2  PHE  50           HE2      PHE  50   1.642   4.578   4.578
  319    HZ   PHE  50           HZ       PHE  50   2.548   2.303   2.303
  320    H    SER  51           HN       SER  51  -4.180   1.000   1.000
  321    HA   SER  51           HA       SER  51  -5.286   2.490   2.490
  322   1HB   SER  51          2HB       SER  51  -7.191   0.933   0.933
  323   2HB   SER  51          3HB       SER  51  -5.671   0.059   0.059
  324    HG   SER  51           HG       SER  51  -7.599  -0.059  -0.059
  325    H    VAL  52           HN       VAL  52  -4.667   3.801   3.801
  326    HA   VAL  52           HA       VAL  52  -7.371   4.851   4.851
  327    HB   VAL  52           HB       VAL  52  -6.800   5.100   5.100
  328   1HG1  VAL  52          2HG1      VAL  52  -7.204   2.574   2.574
  329   2HG1  VAL  52          3HG1      VAL  52  -6.391   2.343   2.343
  330   3HG1  VAL  52          1HG1      VAL  52  -7.956   3.187   3.187
  331   1HG2  VAL  52          2HG2      VAL  52  -4.154   4.417   4.417
  332   2HG2  VAL  52          3HG2      VAL  52  -4.671   5.027   5.027
  333   3HG2  VAL  52          1HG2      VAL  52  -4.668   3.277   3.277
  334    H    SER  53           HN       SER  53  -7.389   7.126   7.126
  335    HA   SER  53           HA       SER  53  -5.202   8.522   8.522
  336   1HB   SER  53          2HB       SER  53  -8.066   9.046   9.046
  337   2HB   SER  53          3HB       SER  53  -7.052  10.441  10.441
  338    HG   SER  53           HG       SER  53  -7.934   9.727   9.727
  339    H    SER  54           HN       SER  54  -3.919  10.108  10.108
  340    HA   SER  54           HA       SER  54  -3.263   9.557   9.557
  341   1HB   SER  54          2HB       SER  54  -1.736  11.278  11.278
  342   2HB   SER  54          3HB       SER  54  -2.166  11.084  11.084
  343    HG   SER  54           HG       SER  54  -2.432  13.247  13.247
  344    HA   PRO  55           HA       PRO  55  -2.258  11.389  11.389
  345   1HB   PRO  55          2HB       PRO  55  -2.087  11.606  11.606
  346   2HB   PRO  55          3HB       PRO  55  -2.043  12.988  12.988
  347   1HG   PRO  55          2HG       PRO  55  -4.252  12.054  12.054
  348   2HG   PRO  55          3HG       PRO  55  -4.026  13.626  13.626
  349   1HD   PRO  55          2HD       PRO  55  -5.819  11.564  11.564
  350   2HD   PRO  55          3HD       PRO  55  -5.508  13.090  13.090
  351    H    TYR  56           HN       TYR  56  -0.733   9.789   9.789
  352    HA   TYR  56           HA       TYR  56  -2.121   7.277   7.277
  353   1HB   TYR  56          2HB       TYR  56   0.788   8.083   8.083
  354   2HB   TYR  56          3HB       TYR  56   0.208   6.429   6.429
  355    HD1  TYR  56           HD1      TYR  56  -2.428   6.788   6.788
  356    HD2  TYR  56           HD2      TYR  56   1.440   8.413   8.413
  357    HE1  TYR  56           HE1      TYR  56  -3.043   7.004   7.004
  358    HE2  TYR  56           HE2      TYR  56   0.812   8.625   8.625
  359    HH   TYR  56           HH       TYR  56  -0.652   7.851   7.851
  360    H    TYR  57           HN       TYR  57  -2.435   6.689   6.689
  361    HA   TYR  57           HA       TYR  57  -0.487   7.572   7.572
  362   1HB   TYR  57          2HB       TYR  57  -3.166   6.053   6.053
  363   2HB   TYR  57          3HB       TYR  57  -2.325   6.700   6.700
  364    HD1  TYR  57           HD2      TYR  57  -1.533   9.289   9.289
  365    HD2  TYR  57           HD1      TYR  57  -5.173   7.340   7.340
  366    HE1  TYR  57           HE2      TYR  57  -2.794  11.482  11.482
  367    HE2  TYR  57           HE1      TYR  57  -6.423   9.539   9.539
  368    HH   TYR  57           HH       TYR  57  -4.745  12.525  12.525
  369    H    GLU  58           HN       GLU  58   1.003   6.237   6.237
  370    HA   GLU  58           HA       GLU  58   0.965   3.499   3.499
  371   1HB   GLU  58          2HB       GLU  58   3.293   3.428   3.428
  372   2HB   GLU  58          3HB       GLU  58   3.062   4.743   4.743
  373   1HG   GLU  58          2HG       GLU  58   4.283   5.668   5.668
  374   2HG   GLU  58          3HG       GLU  58   2.648   6.284   6.284
  375    H    TRP  59           HN       TRP  59   0.882   1.682   1.682
  376    HA   TRP  59           HA       TRP  59   0.901   2.032   2.032
  377   1HB   TRP  59          2HB       TRP  59  -1.309   2.864   2.864
  378   2HB   TRP  59          3HB       TRP  59  -1.725   1.566   1.566
  379    HD1  TRP  59           HD1      TRP  59  -2.558  -0.728  -0.728
  380    HE1  TRP  59           HE1      TRP  59  -3.153  -1.565  -1.565
  381    HE3  TRP  59           HE3      TRP  59  -0.500   3.233   3.233
  382    HZ2  TRP  59           HZ2      TRP  59  -2.707  -0.502  -0.502
  383    HZ3  TRP  59           HZ3      TRP  59  -0.624   3.256   3.256
  384    HH2  TRP  59           HH2      TRP  59  -1.679   1.475   1.475
  385    HA   PRO  60           HA       PRO  60   2.105  -2.089  -2.089
  386   1HB   PRO  60          2HB       PRO  60   2.371  -2.939  -2.939
  387   2HB   PRO  60          3HB       PRO  60   3.608  -2.025  -2.025
  388   1HG   PRO  60          2HG       PRO  60   1.723  -1.111  -1.111
  389   2HG   PRO  60          3HG       PRO  60   3.214  -0.362  -0.362
  390   1HD   PRO  60          2HD       PRO  60   0.546   0.455   0.455
  391   2HD   PRO  60          3HD       PRO  60   2.036   1.130   1.130
  392    H    ILE  61           HN       ILE  61   1.455  -4.304  -4.304
  393    HA   ILE  61           HA       ILE  61  -1.351  -4.493  -4.493
  394    HB   ILE  61           HB       ILE  61  -1.012  -4.421  -4.421
  395   1HG1  ILE  61          2HG1      ILE  61  -2.022  -7.130  -7.130
  396   2HG1  ILE  61          3HG1      ILE  61  -2.895  -5.647  -5.647
  397   1HG2  ILE  61          3HG2      ILE  61   0.546  -6.971  -6.971
  398   2HG2  ILE  61          1HG2      ILE  61  -0.068  -6.458  -6.458
  399   3HG2  ILE  61          2HG2      ILE  61   1.133  -5.460  -5.460
  400   1HD1  ILE  61          1HD1      ILE  61  -2.945  -5.122  -5.122
  401   2HD1  ILE  61          2HD1      ILE  61  -2.063  -6.633  -6.633
  402   3HD1  ILE  61          3HD1      ILE  61  -3.707  -6.693  -6.693
  403    H    LEU  62           HN       LEU  62  -1.807  -6.011  -6.011
  404    HA   LEU  62           HA       LEU  62   0.387  -7.772  -7.772
  405   1HB   LEU  62          2HB       LEU  62  -2.195  -7.046  -7.046
  406   2HB   LEU  62          3HB       LEU  62  -0.987  -8.146  -8.146
  407    HG   LEU  62           HG       LEU  62  -0.509  -5.217  -5.217
  408   1HD1  LEU  62          3HD1      LEU  62  -1.273  -6.648  -6.648
  409   2HD1  LEU  62          1HD1      LEU  62  -0.342  -5.130  -5.130
  410   3HD1  LEU  62          2HD1      LEU  62  -1.955  -5.168  -5.168
  411   1HD2  LEU  62          3HD2      LEU  62   1.502  -6.641  -6.641
  412   2HD2  LEU  62          1HD2      LEU  62   1.604  -5.480  -5.480
  413   3HD2  LEU  62          2HD2      LEU  62   1.250  -7.193  -7.193
  414    H    SER  63           HN       SER  63   0.452  -9.838  -9.838
  415    HA   SER  63           HA       SER  63  -1.504 -10.872 -10.872
  416   1HB   SER  63          2HB       SER  63   0.865 -11.636 -11.636
  417   2HB   SER  63          3HB       SER  63   0.601 -12.350 -12.350
  418    HG   SER  63           HG       SER  63   0.432 -13.933 -13.933
  419    H    SER  64           HN       SER  64  -1.511 -10.421 -10.421
  420    HA   SER  64           HA       SER  64  -3.079 -12.740 -12.740
  421   1HB   SER  64          2HB       SER  64  -2.873 -10.427 -10.427
  422   2HB   SER  64          3HB       SER  64  -2.842 -12.147 -12.147
  423    HG   SER  64           HG       SER  64  -0.745 -10.687 -10.687
  424    H    GLY  65           HN       GLY  65  -3.574  -9.545  -9.545
  425   1HA   GLY  65          1HA       GLY  65  -5.539  -8.672  -8.672
  426   2HA   GLY  65          2HA       GLY  65  -6.447  -9.910  -9.910
  427    H    ASP  66           HN       ASP  66  -3.925  -7.810  -7.810
  428    HA   ASP  66           HA       ASP  66  -6.057  -6.713  -6.713
  429   1HB   ASP  66          2HB       ASP  66  -3.100  -7.223  -7.223
  430   2HB   ASP  66          3HB       ASP  66  -4.033  -6.160  -6.160
  431    H    VAL  67           HN       VAL  67  -4.711  -4.506  -4.506
  432    HA   VAL  67           HA       VAL  67  -4.126  -2.905  -2.905
  433    HB   VAL  67           HB       VAL  67  -5.508  -2.345  -2.345
  434   1HG1  VAL  67          3HG1      VAL  67  -3.694  -0.646  -0.646
  435   2HG1  VAL  67          1HG1      VAL  67  -4.403  -0.188  -0.188
  436   3HG1  VAL  67          2HG1      VAL  67  -5.334   0.041   0.041
  437   1HG2  VAL  67          1HG2      VAL  67  -6.148  -2.275  -2.275
  438   2HG2  VAL  67          2HG2      VAL  67  -7.168  -2.706  -2.706
  439   3HG2  VAL  67          3HG2      VAL  67  -6.869  -0.994  -0.994
  440    H    TYR  68           HN       TYR  68  -1.952  -2.749  -2.749
  441    HA   TYR  68           HA       TYR  68   0.006  -3.280  -3.280
  442   1HB   TYR  68          2HB       TYR  68   0.713  -2.765  -2.765
  443   2HB   TYR  68          3HB       TYR  68  -0.459  -1.474  -1.474
  444    HD1  TYR  68           HD2      TYR  68   2.694  -2.262  -2.262
  445    HD2  TYR  68           HD1      TYR  68   0.292   0.729   0.729
  446    HE1  TYR  68           HE2      TYR  68   4.524  -0.540  -0.540
  447    HE2  TYR  68           HE1      TYR  68   2.129   2.443   2.443
  448    HH   TYR  68           HH       TYR  68   5.179   1.702   1.702
  449    H    SER  69           HN       SER  69  -0.336  -2.628  -2.628
  450    HA   SER  69           HA       SER  69  -0.121   0.259   0.259
  451   1HB   SER  69          2HB       SER  69  -1.505   0.105   0.105
  452   2HB   SER  69          3HB       SER  69  -2.369  -0.638  -0.638
  453    HG   SER  69           HG       SER  69  -1.721  -2.731  -2.731
  454    H    GLY  70           HN       GLY  70   2.204  -1.159  -1.159
  455   1HA   GLY  70          1HA       GLY  70   3.204  -1.440  -1.440
  456   2HA   GLY  70          2HA       GLY  70   3.660  -2.543  -2.543
  457    H    GLY  71           HN       GLY  71   4.143  -0.979  -0.979
  458   1HA   GLY  71          1HA       GLY  71   5.301   0.948   0.948
  459   2HA   GLY  71          2HA       GLY  71   5.991   1.137   1.137
  460    H    SER  72           HN       SER  72   5.780  -2.097  -2.097
  461    HA   SER  72           HA       SER  72   8.539  -1.902  -1.902
  462   1HB   SER  72          2HB       SER  72   7.563  -3.387  -3.387
  463   2HB   SER  72          3HB       SER  72   8.448  -4.407  -4.407
  464    HG   SER  72           HG       SER  72  10.010  -3.542  -3.542
  465    HA   PRO  73           HA       PRO  73   5.663  -4.442  -4.442
  466   1HB   PRO  73          2HB       PRO  73   5.299  -2.761  -2.761
  467   2HB   PRO  73          3HB       PRO  73   4.157  -2.894  -2.894
  468   1HG   PRO  73          2HG       PRO  73   6.100  -0.737  -0.737
  469   2HG   PRO  73          3HG       PRO  73   4.689  -0.700  -0.700
  470   1HD   PRO  73          2HD       PRO  73   7.425  -0.914  -0.914
  471   2HD   PRO  73          3HD       PRO  73   6.008  -0.994  -0.994
  472    H    GLY  74           HN       GLY  74   7.983  -2.217  -2.217
  473   1HA   GLY  74          1HA       GLY  74   9.396  -2.703  -2.703
  474   2HA   GLY  74          2HA       GLY  74  10.102  -3.658  -3.658
  475    H    ALA  75           HN       ALA  75   8.017  -3.726  -3.726
  476    HA   ALA  75           HA       ALA  75   8.765  -5.855  -5.855
  477   1HB   ALA  75          3HB       ALA  75   7.429  -6.795  -6.795
  478   2HB   ALA  75          1HB       ALA  75   7.276  -7.762  -7.762
  479   3HB   ALA  75          2HB       ALA  75   8.886  -7.419  -7.419
  480    H    ASP  76           HN       ASP  76   5.618  -6.731  -6.731
  481    HA   ASP  76           HA       ASP  76   4.440  -6.060  -6.060
  482   1HB   ASP  76          2HB       ASP  76   2.946  -6.586  -6.586
  483   2HB   ASP  76          3HB       ASP  76   2.402  -6.927  -6.927
  484    H    ARG  77           HN       ARG  77   3.199  -4.213  -4.213
  485    HA   ARG  77           HA       ARG  77   2.281  -2.497  -2.497
  486   1HB   ARG  77          2HB       ARG  77   4.436  -1.621  -1.621
  487   2HB   ARG  77          3HB       ARG  77   3.413  -0.462  -0.462
  488   1HG   ARG  77          2HG       ARG  77   4.568  -2.458  -2.458
  489   2HG   ARG  77          3HG       ARG  77   5.800  -1.554  -1.554
  490   1HD   ARG  77          2HD       ARG  77   3.824   0.361   0.361
  491   2HD   ARG  77          3HD       ARG  77   4.071  -0.671  -0.671
  492    HE   ARG  77           HE       ARG  77   5.878   1.319   1.319
  493   1HH1  ARG  77           HH2      ARG  77   5.995  -2.084  -2.084
  494   2HH1  ARG  77           HH2      ARG  77   7.634  -2.014  -2.014
  495   1HH2  ARG  77           HH1      ARG  77   8.041   1.412   1.412
  496   2HH2  ARG  77           HH1      ARG  77   8.806  -0.012  -0.012
  497    H    VAL  78           HN       VAL  78   0.359  -1.511  -1.511
  498    HA   VAL  78           HA       VAL  78  -0.328  -1.867  -1.867
  499    HB   VAL  78           HB       VAL  78  -1.904  -2.975  -2.975
  500   1HG1  VAL  78          3HG1      VAL  78  -1.639  -0.739  -0.739
  501   2HG1  VAL  78          1HG1      VAL  78  -2.956  -1.936  -1.936
  502   3HG1  VAL  78          2HG1      VAL  78  -1.262  -2.467  -2.467
  503   1HG2  VAL  78          1HG2      VAL  78  -2.703  -0.697  -0.697
  504   2HG2  VAL  78          2HG2      VAL  78  -3.778  -1.986  -1.986
  505   3HG2  VAL  78          3HG2      VAL  78  -3.511  -0.527  -0.527
  506    H    VAL  79           HN       VAL  79  -0.647  -0.127  -0.127
  507    HA   VAL  79           HA       VAL  79  -0.478   2.500   2.500
  508    HB   VAL  79           HB       VAL  79   0.390   1.559   1.559
  509   1HG1  VAL  79          1HG1      VAL  79  -0.579   4.070   4.070
  510   2HG1  VAL  79          2HG1      VAL  79   1.170   4.270   4.270
  511   3HG1  VAL  79          3HG1      VAL  79   0.569   3.680   3.680
  512   1HG2  VAL  79          3HG2      VAL  79   1.913   0.904   0.904
  513   2HG2  VAL  79          1HG2      VAL  79   2.647   2.169   2.169
  514   3HG2  VAL  79          2HG2      VAL  79   1.976   2.586   2.586
  515    H    PHE  80           HN       PHE  80  -2.145   3.931   3.931
  516    HA   PHE  80           HA       PHE  80  -4.054   3.387   3.387
  517   1HB   PHE  80          2HB       PHE  80  -5.902   3.423   3.423
  518   2HB   PHE  80          3HB       PHE  80  -4.732   2.268   2.268
  519    HD1  PHE  80           HD2      PHE  80  -2.914   3.324   3.324
  520    HD2  PHE  80           HD1      PHE  80  -6.744   4.983   4.983
  521    HE1  PHE  80           HE2      PHE  80  -2.810   4.568   4.568
  522    HE2  PHE  80           HE1      PHE  80  -6.640   6.228   6.228
  523    HZ   PHE  80           HZ       PHE  80  -4.674   6.005   6.005
  524    H    ASN  81           HN       ASN  81  -5.939   5.281   5.281
  525    HA   ASN  81           HA       ASN  81  -4.399   7.719   7.719
  526   1HB   ASN  81          2HB       ASN  81  -5.200   8.673   8.673
  527   2HB   ASN  81          3HB       ASN  81  -5.079   6.996   6.996
  528   1HD2  ASN  81          2HD2      ASN  81  -8.757   6.620   6.620
  529   2HD2  ASN  81          1HD2      ASN  81  -7.288   6.100   6.100
  530    H    GLU  82           HN       GLU  82  -7.543   8.318   8.318
  531    HA   GLU  82           HA       GLU  82  -8.586   9.670   9.670
  532   1HB   GLU  82          2HB       GLU  82  -9.784   9.180   9.180
  533   2HB   GLU  82          3HB       GLU  82 -10.084   7.532   7.532
  534   1HG   GLU  82          2HG       GLU  82 -11.316   8.524   8.524
  535   2HG   GLU  82          3HG       GLU  82 -11.203  10.081  10.081
  536    H    ASN  83           HN       ASN  83  -8.971   6.051   6.051
  537    HA   ASN  83           HA       ASN  83  -8.551   5.849   5.849
  538   1HB   ASN  83          2HB       ASN  83 -11.104   4.729   4.729
  539   2HB   ASN  83          3HB       ASN  83 -10.685   6.291   6.291
  540   1HD2  ASN  83          2HD2      ASN  83 -11.996   6.389   6.389
  541   2HD2  ASN  83          1HD2      ASN  83 -10.751   5.307   5.307
  542    H    ASN  84           HN       ASN  84 -11.103   4.019   4.019
  543    HA   ASN  84           HA       ASN  84  -9.573   1.646   1.646
  544   1HB   ASN  84          2HB       ASN  84 -11.553   0.525   0.525
  545   2HB   ASN  84          3HB       ASN  84 -12.159   1.902   1.902
  546   1HD2  ASN  84          2HD2      ASN  84 -13.841   3.384   3.384
  547   2HD2  ASN  84          1HD2      ASN  84 -13.456   3.311   3.311
  548    H    GLN  85           HN       GLN  85  -8.790   4.050   4.050
  549    HA   GLN  85           HA       GLN  85  -8.974   2.806   2.806
  550   1HB   GLN  85          2HB       GLN  85  -7.502   5.384   5.384
  551   2HB   GLN  85          3HB       GLN  85  -8.243   4.894   4.894
  552   1HG   GLN  85          2HG       GLN  85  -9.693   5.645   5.645
  553   2HG   GLN  85          3HG       GLN  85  -9.669   6.565   6.565
  554   1HE2  GLN  85          2HE2      GLN  85 -12.440   3.737   3.737
  555   2HE2  GLN  85          1HE2      GLN  85 -11.360   4.399   4.399
  556    H    LEU  86           HN       LEU  86  -7.540   1.163   1.163
  557    HA   LEU  86           HA       LEU  86  -4.939   1.474   1.474
  558   1HB   LEU  86          2HB       LEU  86  -5.110  -0.668  -0.668
  559   2HB   LEU  86          3HB       LEU  86  -6.713  -0.656  -0.656
  560    HG   LEU  86           HG       LEU  86  -4.926  -0.920  -0.920
  561   1HD1  LEU  86          2HD1      LEU  86  -3.636  -1.846  -1.846
  562   2HD1  LEU  86          3HD1      LEU  86  -4.181  -3.291  -3.291
  563   3HD1  LEU  86          1HD1      LEU  86  -3.151  -2.087  -2.087
  564   1HD2  LEU  86          2HD2      LEU  86  -7.237  -2.155  -2.155
  565   2HD2  LEU  86          3HD2      LEU  86  -6.524  -2.350  -2.350
  566   3HD2  LEU  86          1HD2      LEU  86  -6.051  -3.448  -3.448
  567    H    ALA  87           HN       ALA  87  -2.987   1.617   1.617
  568    HA   ALA  87           HA       ALA  87  -3.211   2.228   2.228
  569   1HB   ALA  87          1HB       ALA  87  -1.488   2.926   2.926
  570   2HB   ALA  87          2HB       ALA  87  -0.530   2.415   2.415
  571   3HB   ALA  87          3HB       ALA  87  -1.697   3.749   3.749
  572    H    GLY  88           HN       GLY  88  -1.944  -0.280  -0.280
  573   1HA   GLY  88          1HA       GLY  88  -1.978  -2.326  -2.326
  574   2HA   GLY  88          2HA       GLY  88  -0.380  -1.621  -1.621
  575    H    VAL  89           HN       VAL  89   0.756  -3.387  -3.387
  576    HA   VAL  89           HA       VAL  89   0.521  -3.522  -3.522
  577    HB   VAL  89           HB       VAL  89   0.172  -5.824  -5.824
  578   1HG1  VAL  89          2HG1      VAL  89   1.892  -5.904  -5.904
  579   2HG1  VAL  89          3HG1      VAL  89   0.378  -6.638  -6.638
  580   3HG1  VAL  89          1HG1      VAL  89   1.188  -7.293  -7.293
  581   1HG2  VAL  89          1HG2      VAL  89  -1.387  -4.642  -4.642
  582   2HG2  VAL  89          2HG2      VAL  89  -1.924  -5.029  -5.029
  583   3HG2  VAL  89          3HG2      VAL  89  -1.626  -6.338  -6.338
  584    H    ILE  90           HN       ILE  90   2.490  -2.337  -2.337
  585    HA   ILE  90           HA       ILE  90   4.745  -3.378  -3.378
  586    HB   ILE  90           HB       ILE  90   5.929  -1.498  -1.498
  587   1HG1  ILE  90          2HG1      ILE  90   3.743  -1.456  -1.456
  588   2HG1  ILE  90          3HG1      ILE  90   5.465  -1.206  -1.206
  589   1HG2  ILE  90          1HG2      ILE  90   4.061  -1.279  -1.279
  590   2HG2  ILE  90          2HG2      ILE  90   3.206  -0.355  -0.355
  591   3HG2  ILE  90          3HG2      ILE  90   4.804   0.184   0.184
  592   1HD1  ILE  90          2HD1      ILE  90   4.094   0.834   0.834
  593   2HD1  ILE  90          3HD1      ILE  90   3.620   0.817   0.817
  594   3HD1  ILE  90          1HD1      ILE  90   5.327   1.046   1.046
  595    H    THR  91           HN       THR  91   6.830  -3.878  -3.878
  596    HA   THR  91           HA       THR  91   6.583  -4.747  -4.747
  597    HB   THR  91           HB       THR  91   5.571  -6.719  -6.719
  598    HG1  THR  91           HG1      THR  91   7.291  -8.136  -8.136
  599   1HG2  THR  91          1HG2      THR  91   7.577  -6.650  -6.650
  600   2HG2  THR  91          2HG2      THR  91   6.304  -7.869  -7.869
  601   3HG2  THR  91          3HG2      THR  91   5.863  -6.188  -6.188
  602    H    HIS  92           HN       HIS  92   8.611  -5.270  -5.270
  603    HA   HIS  92           HA       HIS  92  10.733  -3.859  -3.859
  604   1HB   HIS  92          2HB       HIS  92  10.487  -5.417  -5.417
  605   2HB   HIS  92          3HB       HIS  92  11.996  -4.690  -4.690
  606    HD1  HIS  92           HD1      HIS  92  12.253  -2.747  -2.747
  607    HD2  HIS  92           HD2      HIS  92   8.422  -2.935  -2.935
  608    HE1  HIS  92           HE1      HIS  92  11.035  -0.631  -0.631
  609    HE2  HIS  92           HE2      HIS  92   8.706  -0.777  -0.777
  610    H    THR  93           HN       THR  93   9.457  -6.929  -6.929
  611    HA   THR  93           HA       THR  93  11.356  -8.785  -8.785
  612    HB   THR  93           HB       THR  93   9.187  -7.991  -7.991
  613    HG1  THR  93           HG1      THR  93  10.051 -10.270 -10.270
  614   1HG2  THR  93          3HG2      THR  93  11.374 -10.047 -10.047
  615   2HG2  THR  93          1HG2      THR  93   9.713 -10.337 -10.337
  616   3HG2  THR  93          2HG2      THR  93  10.621  -8.924  -8.924
  617    H    GLY  94           HN       GLY  94  13.500  -8.182  -8.182
  618   1HA   GLY  94          1HA       GLY  94  15.384  -7.198  -7.198
  619   2HA   GLY  94          2HA       GLY  94  15.034  -8.381  -8.381
  620    H    ALA  95           HN       ALA  95  13.236  -5.346  -5.346
  621    HA   ALA  95           HA       ALA  95  12.948  -4.625  -4.625
  622   1HB   ALA  95          2HB       ALA  95  12.514  -3.332  -3.332
  623   2HB   ALA  95          3HB       ALA  95  12.427  -2.327  -2.327
  624   3HB   ALA  95          1HB       ALA  95  11.336  -3.722  -3.722
  625    H    SER  96           HN       SER  96  15.692  -4.608  -4.608
  626    HA   SER  96           HA       SER  96  17.746  -4.084  -4.084
  627   1HB   SER  96          2HB       SER  96  16.626  -3.313  -3.313
  628   2HB   SER  96          3HB       SER  96  16.667  -1.702  -1.702
  629    HG   SER  96           HG       SER  96  18.597  -1.820  -1.820
  630    H    GLY  97           HN       GLY  97  16.593  -3.452  -3.452
  631   1HA   GLY  97          1HA       GLY  97  17.834  -2.031  -2.031
  632   2HA   GLY  97          2HA       GLY  97  17.523  -0.684  -0.684
  633    H    ASN  98           HN       ASN  98  16.085   0.666   0.666
  634    HA   ASN  98           HA       ASN  98  13.975  -0.556  -0.556
  635   1HB   ASN  98          2HB       ASN  98  15.165   1.307   1.307
  636   2HB   ASN  98          3HB       ASN  98  14.925   2.334   2.334
  637   1HD2  ASN  98          2HD2      ASN  98  11.393   1.274   1.274
  638   2HD2  ASN  98          1HD2      ASN  98  12.539   0.102   0.102
  639    H    ASN  99           HN       ASN  99  14.469   0.044   0.044
  640    HA   ASN  99           HA       ASN  99  12.377   1.727   1.727
  641   1HB   ASN  99          2HB       ASN  99  12.681   0.084   0.084
  642   2HB   ASN  99          3HB       ASN  99  13.720   1.453   1.453
  643   1HD2  ASN  99          2HD2      ASN  99  15.073  -2.177  -2.177
  644   2HD2  ASN  99          1HD2      ASN  99  13.458  -1.618  -1.618
  645    H    PHE 100           HN       PHE 100  10.501   0.783   0.783
  646    HA   PHE 100           HA       PHE 100   9.459  -1.651  -1.651
  647   1HB   PHE 100          2HB       PHE 100   8.250   1.038   1.038
  648   2HB   PHE 100          3HB       PHE 100   7.211  -0.373  -0.373
  649    HD1  PHE 100           HD2      PHE 100   7.592  -1.780  -1.780
  650    HD2  PHE 100           HD1      PHE 100   8.276   2.377   2.377
  651    HE1  PHE 100           HE2      PHE 100   7.305  -1.431  -1.431
  652    HE2  PHE 100           HE1      PHE 100   7.991   2.726   2.726
  653    HZ   PHE 100           HZ       PHE 100   7.509   0.817   0.817
  654    H    VAL 101           HN       VAL 101   7.672  -2.703  -2.703
  655    HA   VAL 101           HA       VAL 101   7.782  -2.177  -2.177
  656    HB   VAL 101           HB       VAL 101   8.745  -4.370  -4.370
  657   1HG1  VAL 101          2HG1      VAL 101  10.045  -2.175  -2.175
  658   2HG1  VAL 101          3HG1      VAL 101  10.753  -2.773  -2.773
  659   3HG1  VAL 101          1HG1      VAL 101  11.007  -3.673  -3.673
  660   1HG2  VAL 101          3HG2      VAL 101   8.378  -5.538  -5.538
  661   2HG2  VAL 101          1HG2      VAL 101  10.076  -5.637  -5.637
  662   3HG2  VAL 101          2HG2      VAL 101   9.608  -4.508  -4.508
  663    H    GLU 102           HN       GLU 102   5.883  -2.866  -2.866
  664    HA   GLU 102           HA       GLU 102   3.893  -3.799  -3.799
  665   1HB   GLU 102          2HB       GLU 102   2.934  -4.433  -4.433
  666   2HB   GLU 102          3HB       GLU 102   2.902  -2.817  -2.817
  667   1HG   GLU 102          2HG       GLU 102   4.811  -2.117  -2.117
  668   2HG   GLU 102          3HG       GLU 102   5.369  -3.756  -3.756
  669    H    CYS 103           HN       CYS 103   3.393  -5.812  -5.812
  670    HA   CYS 103           HA       CYS 103   5.022  -7.978  -7.978
  671   1HB   CYS 103          2HB       CYS 103   2.129  -7.994  -7.994
  672   2HB   CYS 103          3HB       CYS 103   3.268  -9.311  -9.311
  673    H    THR 104           HN       THR 104   3.320 -10.181 -10.181
  674    HA   THR 104           HA       THR 104   2.660  -9.606  -9.606
  675    HB   THR 104           HB       THR 104   3.433 -11.929 -11.929
  676    HG1  THR 104           HG1      THR 104   3.392 -13.182 -13.182
  677   1HG2  THR 104          2HG2      THR 104   5.409 -10.415 -10.415
  678   2HG2  THR 104          3HG2      THR 104   5.828 -11.750 -11.750
  679   3HG2  THR 104          1HG2      THR 104   5.245 -10.202 -10.202

  Start of MODEL   27
    1    H    ALA   1           HN       ALA   1  -6.640 -16.555 -16.555
    2    HA   ALA   1           HA       ALA   1  -7.075 -14.387 -14.387
    3   1HB   ALA   1          1HB       ALA   1  -9.186 -15.517 -15.517
    4   2HB   ALA   1          2HB       ALA   1  -8.663 -14.395 -14.395
    5   3HB   ALA   1          3HB       ALA   1  -9.083 -13.771 -13.771
    6    H    CYS   2           HN       CYS   2  -4.770 -14.002 -14.002
    7    HA   CYS   2           HA       CYS   2  -4.390 -12.908 -12.908
    8   1HB   CYS   2          2HB       CYS   2  -1.911 -13.399 -13.399
    9   2HB   CYS   2          3HB       CYS   2  -2.450 -13.956 -13.956
   10    H    ASP   3           HN       ASP   3  -5.658 -11.112 -11.112
   11    HA   ASP   3           HA       ASP   3  -4.730  -9.779  -9.779
   12   1HB   ASP   3          2HB       ASP   3  -5.648  -8.536  -8.536
   13   2HB   ASP   3          3HB       ASP   3  -5.572  -7.667  -7.667
   14    H    TYR   4           HN       TYR   4  -3.239 -10.026 -10.026
   15    HA   TYR   4           HA       TYR   4  -0.962  -8.477  -8.477
   16   1HB   TYR   4          2HB       TYR   4  -2.401  -8.279  -8.279
   17   2HB   TYR   4          3HB       TYR   4  -0.920  -7.427  -7.427
   18    HD1  TYR   4           HD2      TYR   4  -0.966  -5.660  -5.660
   19    HD2  TYR   4           HD1      TYR   4  -4.522  -7.383  -7.383
   20    HE1  TYR   4           HE2      TYR   4  -2.331  -3.709  -3.709
   21    HE2  TYR   4           HE1      TYR   4  -5.875  -5.426  -5.426
   22    HH   TYR   4           HH       TYR   4  -5.627  -3.241  -3.241
   23    H    THR   5           HN       THR   5   0.729  -9.869  -9.869
   24    HA   THR   5           HA       THR   5   0.923 -11.665 -11.665
   25    HB   THR   5           HB       THR   5   0.966 -12.188 -12.188
   26    HG1  THR   5           HG1      THR   5   0.374 -14.313 -14.313
   27   1HG2  THR   5          1HG2      THR   5   2.792 -13.693 -13.693
   28   2HG2  THR   5          2HG2      THR   5   2.486 -14.120 -14.120
   29   3HG2  THR   5          3HG2      THR   5   3.376 -12.631 -12.631
   30    H    CYS   6           HN       CYS   6   2.420 -10.754 -10.754
   31    HA   CYS   6           HA       CYS   6   4.586  -9.295  -9.295
   32   1HB   CYS   6          2HB       CYS   6   3.698  -9.958  -9.958
   33   2HB   CYS   6          3HB       CYS   6   5.326  -9.367  -9.367
   34    H    GLY   7           HN       GLY   7   5.035 -11.461 -11.461
   35   1HA   GLY   7          1HA       GLY   7   6.802 -12.864 -12.864
   36   2HA   GLY   7          2HA       GLY   7   7.312 -12.723 -12.723
   37    H    SER   8           HN       SER   8   5.076 -13.474 -13.474
   38    HA   SER   8           HA       SER   8   4.073 -15.912 -15.912
   39   1HB   SER   8          2HB       SER   8   5.122 -17.439 -17.439
   40   2HB   SER   8          3HB       SER   8   6.419 -16.275 -16.275
   41    HG   SER   8           HG       SER   8   6.030 -15.426 -15.426
   42    H    ASN   9           HN       ASN   9   2.613 -13.662 -13.662
   43    HA   ASN   9           HA       ASN   9   1.333 -14.345 -14.345
   44   1HB   ASN   9          2HB       ASN   9   1.400 -11.577 -11.577
   45   2HB   ASN   9          3HB       ASN   9   0.727 -11.963 -11.963
   46   1HD2  ASN   9          2HD2      ASN   9   4.846 -12.066 -12.066
   47   2HD2  ASN   9          1HD2      ASN   9   3.745 -12.476 -12.476
   48    H    CYS  10           HN       CYS  10  -0.970 -12.663 -12.663
   49    HA   CYS  10           HA       CYS  10  -2.055 -12.845 -12.845
   50   1HB   CYS  10          2HB       CYS  10  -2.045 -15.267 -15.267
   51   2HB   CYS  10          3HB       CYS  10  -3.057 -14.961 -14.961
   52    H    TYR  11           HN       TYR  11  -2.269 -10.601 -10.601
   53    HA   TYR  11           HA       TYR  11  -4.181 -10.332 -10.332
   54   1HB   TYR  11          2HB       TYR  11  -2.881  -8.199  -8.199
   55   2HB   TYR  11          3HB       TYR  11  -3.423  -7.996  -7.996
   56    HD1  TYR  11           HD1      TYR  11  -2.148  -9.277  -9.277
   57    HD2  TYR  11           HD2      TYR  11  -0.640  -8.755  -8.755
   58    HE1  TYR  11           HE1      TYR  11   0.208  -9.764  -9.764
   59    HE2  TYR  11           HE2      TYR  11   1.711  -9.243  -9.243
   60    HH   TYR  11           HH       TYR  11   2.938  -9.093  -9.093
   61    H    SER  12           HN       SER  12  -5.533 -11.591 -11.591
   62    HA   SER  12           HA       SER  12  -6.543 -10.513 -10.513
   63   1HB   SER  12          2HB       SER  12  -7.498 -12.337 -12.337
   64   2HB   SER  12          3HB       SER  12  -8.818 -11.203 -11.203
   65    HG   SER  12           HG       SER  12  -7.580 -12.079 -12.079
   66    H    SER  13           HN       SER  13  -8.318  -9.032  -9.032
   67    HA   SER  13           HA       SER  13  -8.119  -6.564  -6.564
   68   1HB   SER  13          2HB       SER  13 -10.140  -6.066  -6.066
   69   2HB   SER  13          3HB       SER  13  -9.560  -7.518  -7.518
   70    HG   SER  13           HG       SER  13 -11.665  -7.281  -7.281
   71    H    SER  14           HN       SER  14  -9.581  -9.238  -9.238
   72    HA   SER  14           HA       SER  14 -11.131  -7.561  -7.561
   73   1HB   SER  14          2HB       SER  14 -11.855  -9.869  -9.869
   74   2HB   SER  14          3HB       SER  14 -10.437 -10.525 -10.525
   75    HG   SER  14           HG       SER  14 -11.249 -10.043 -10.043
   76    H    ASP  15           HN       ASP  15  -7.879  -8.895  -8.895
   77    HA   ASP  15           HA       ASP  15  -7.424  -8.630  -8.630
   78   1HB   ASP  15          2HB       ASP  15  -5.946  -9.583  -9.583
   79   2HB   ASP  15          3HB       ASP  15  -4.924  -8.806  -8.806
   80    H    VAL  16           HN       VAL  16  -7.259  -6.697  -6.697
   81    HA   VAL  16           HA       VAL  16  -5.285  -4.860  -4.860
   82    HB   VAL  16           HB       VAL  16  -7.212  -4.922  -4.922
   83   1HG1  VAL  16          2HG1      VAL  16  -5.876  -2.616  -2.616
   84   2HG1  VAL  16          3HG1      VAL  16  -5.303  -2.928  -2.928
   85   3HG1  VAL  16          1HG1      VAL  16  -7.040  -2.704  -2.704
   86   1HG2  VAL  16          3HG2      VAL  16  -4.510  -5.864  -5.864
   87   2HG2  VAL  16          1HG2      VAL  16  -5.586  -6.155  -6.155
   88   3HG2  VAL  16          2HG2      VAL  16  -4.552  -4.706  -4.706
   89    H    SER  17           HN       SER  17  -8.774  -4.334  -4.334
   90    HA   SER  17           HA       SER  17  -9.178  -1.989  -1.989
   91   1HB   SER  17          2HB       SER  17 -10.924  -3.368  -3.368
   92   2HB   SER  17          3HB       SER  17 -11.041  -4.385  -4.385
   93    HG   SER  17           HG       SER  17 -11.869  -2.633  -2.633
   94    H    THR  18           HN       THR  18  -9.112  -5.119  -5.119
   95    HA   THR  18           HA       THR  18  -9.850  -4.231  -4.231
   96    HB   THR  18           HB       THR  18  -8.104  -6.421  -6.421
   97    HG1  THR  18           HG1      THR  18 -10.154  -7.201  -7.201
   98   1HG2  THR  18          3HG2      THR  18  -7.017  -5.672  -5.672
   99   2HG2  THR  18          1HG2      THR  18  -8.578  -6.011  -6.011
  100   3HG2  THR  18          2HG2      THR  18  -7.667  -7.330  -7.330
  101    H    ALA  19           HN       ALA  19  -6.487  -4.301  -4.301
  102    HA   ALA  19           HA       ALA  19  -5.321  -3.114  -3.114
  103   1HB   ALA  19          1HB       ALA  19  -4.560  -4.074  -4.074
  104   2HB   ALA  19          2HB       ALA  19  -3.948  -2.408  -2.408
  105   3HB   ALA  19          3HB       ALA  19  -3.501  -3.619  -3.619
  106    H    GLN  20           HN       GLN  20  -6.735  -1.732  -1.732
  107    HA   GLN  20           HA       GLN  20  -5.964   0.859   0.859
  108   1HB   GLN  20          2HB       GLN  20  -8.673   0.171   0.171
  109   2HB   GLN  20          3HB       GLN  20  -7.564   1.437   1.437
  110   1HG   GLN  20          2HG       GLN  20  -5.933  -0.326  -0.326
  111   2HG   GLN  20          3HG       GLN  20  -7.097  -1.563  -1.563
  112   1HE2  GLN  20          2HE2      GLN  20  -8.119   1.097   1.097
  113   2HE2  GLN  20          1HE2      GLN  20  -7.292   1.618   1.618
  114    H    ALA  21           HN       ALA  21  -9.120  -0.709  -0.709
  115    HA   ALA  21           HA       ALA  21 -10.465   1.243   1.243
  116   1HB   ALA  21          2HB       ALA  21 -10.752  -1.382  -1.382
  117   2HB   ALA  21          3HB       ALA  21 -10.057  -1.259  -1.259
  118   3HB   ALA  21          1HB       ALA  21 -11.563  -0.397  -0.397
  119    H    ALA  22           HN       ALA  22  -7.400  -0.123  -0.123
  120    HA   ALA  22           HA       ALA  22  -7.577   1.417   1.417
  121   1HB   ALA  22          2HB       ALA  22  -6.552  -0.967  -0.967
  122   2HB   ALA  22          3HB       ALA  22  -5.135  -0.064  -0.064
  123   3HB   ALA  22          1HB       ALA  22  -5.718   0.176   0.176
  124    H    GLY  23           HN       GLY  23  -5.651   1.331   1.331
  125   1HA   GLY  23          1HA       GLY  23  -3.961   3.480   3.480
  126   2HA   GLY  23          2HA       GLY  23  -4.408   2.903   2.903
  127    H    TYR  24           HN       TYR  24  -7.231   3.347   3.347
  128    HA   TYR  24           HA       TYR  24  -7.266   6.131   6.131
  129   1HB   TYR  24          2HB       TYR  24  -8.561   4.069   4.069
  130   2HB   TYR  24          3HB       TYR  24  -9.579   4.145   4.145
  131    HD1  TYR  24           HD2      TYR  24  -8.697   7.448   7.448
  132    HD2  TYR  24           HD1      TYR  24 -11.177   4.313   4.313
  133    HE1  TYR  24           HE2      TYR  24 -10.177   9.167   9.167
  134    HE2  TYR  24           HE1      TYR  24 -12.648   6.043   6.043
  135    HH   TYR  24           HH       TYR  24 -12.566   9.270   9.270
  136    H    LYS  25           HN       LYS  25  -9.305   4.149   4.149
  137    HA   LYS  25           HA       LYS  25 -10.558   6.095   6.095
  138   1HB   LYS  25          2HB       LYS  25 -11.073   3.892   3.892
  139   2HB   LYS  25          3HB       LYS  25  -9.407   3.477   3.477
  140   1HG   LYS  25          2HG       LYS  25 -10.841   5.603   5.603
  141   2HG   LYS  25          3HG       LYS  25 -11.042   3.904   3.904
  142   1HD   LYS  25          2HD       LYS  25  -8.269   4.141   4.141
  143   2HD   LYS  25          3HD       LYS  25  -8.710   5.667   5.667
  144   1HE   LYS  25          2HE       LYS  25 -10.222   3.675   3.675
  145   2HE   LYS  25          3HE       LYS  25  -8.609   3.009   3.009
  146   1HZ   LYS  25          1HZ       LYS  25  -9.206   5.677   5.677
  147   2HZ   LYS  25          2HZ       LYS  25  -8.835   4.363   4.363
  148   3HZ   LYS  25          3HZ       LYS  25  -7.722   5.005   5.005
  149    H    LEU  26           HN       LEU  26  -7.253   4.882   4.882
  150    HA   LEU  26           HA       LEU  26  -6.855   6.831   6.831
  151   1HB   LEU  26          2HB       LEU  26  -5.576   4.864   4.864
  152   2HB   LEU  26          3HB       LEU  26  -5.037   5.035   5.035
  153    HG   LEU  26           HG       LEU  26  -3.589   6.880   6.880
  154   1HD1  LEU  26          1HD1      LEU  26  -5.189   6.898   6.898
  155   2HD1  LEU  26          2HD1      LEU  26  -3.442   7.170   7.170
  156   3HD1  LEU  26          3HD1      LEU  26  -4.383   8.228   8.228
  157   1HD2  LEU  26          3HD2      LEU  26  -2.746   4.581   4.581
  158   2HD2  LEU  26          1HD2      LEU  26  -1.982   5.740   5.740
  159   3HD2  LEU  26          2HD2      LEU  26  -3.245   4.634   4.634
  160    H    HIS  27           HN       HIS  27  -6.323   6.779   6.779
  161    HA   HIS  27           HA       HIS  27  -4.763   9.098   9.098
  162   1HB   HIS  27          2HB       HIS  27  -4.686   7.702   7.702
  163   2HB   HIS  27          3HB       HIS  27  -6.431   7.572   7.572
  164    HD1  HIS  27           HD1      HIS  27  -3.937  10.501  10.501
  165    HD2  HIS  27           HD2      HIS  27  -7.343   9.013   9.013
  166    HE1  HIS  27           HE1      HIS  27  -4.430  12.114  12.114
  167    HE2  HIS  27           HE2      HIS  27  -6.500  11.119  11.119
  168    H    GLU  28           HN       GLU  28  -8.324   8.526   8.526
  169    HA   GLU  28           HA       GLU  28  -8.954  11.171  11.171
  170   1HB   GLU  28          2HB       GLU  28 -11.063   9.835   9.835
  171   2HB   GLU  28          3HB       GLU  28 -11.026  10.291  10.291
  172   1HG   GLU  28          2HG       GLU  28  -9.639   8.217   8.217
  173   2HG   GLU  28          3HG       GLU  28  -9.839   7.747   7.747
  174    H    ASP  29           HN       ASP  29  -8.021   9.503   9.503
  175    HA   ASP  29           HA       ASP  29  -9.189  11.493  11.493
  176   1HB   ASP  29          2HB       ASP  29  -7.159   9.311   9.311
  177   2HB   ASP  29          3HB       ASP  29  -8.110  10.218  10.218
  178    H    GLY  30           HN       GLY  30  -6.245  10.906  10.906
  179   1HA   GLY  30          1HA       GLY  30  -4.423  12.207  12.207
  180   2HA   GLY  30          2HA       GLY  30  -5.102  13.399  13.399
  181    H    GLU  31           HN       GLU  31  -4.855  10.051  10.051
  182    HA   GLU  31           HA       GLU  31  -2.774  10.943  10.943
  183   1HB   GLU  31          2HB       GLU  31  -5.005   8.936   8.936
  184   2HB   GLU  31          3HB       GLU  31  -3.556   8.604   8.604
  185   1HG   GLU  31          2HG       GLU  31  -4.969  11.301  11.301
  186   2HG   GLU  31          3HG       GLU  31  -5.413   9.972   9.972
  187    H    THR  32           HN       THR  32  -1.446   8.766   8.766
  188    HA   THR  32           HA       THR  32  -0.603   7.381   7.381
  189    HB   THR  32           HB       THR  32   1.668   7.889   7.889
  190    HG1  THR  32           HG1      THR  32   1.969   7.458   7.458
  191   1HG2  THR  32          2HG2      THR  32  -0.011  10.074  10.074
  192   2HG2  THR  32          3HG2      THR  32   0.741  10.333  10.333
  193   3HG2  THR  32          1HG2      THR  32   1.759  10.202  10.202
  194    H    VAL  33           HN       VAL  33   1.248   5.650   5.650
  195    HA   VAL  33           HA       VAL  33  -0.178   4.267   4.267
  196    HB   VAL  33           HB       VAL  33   0.056   2.160   2.160
  197   1HG1  VAL  33          2HG1      VAL  33  -1.784   4.185   4.185
  198   2HG1  VAL  33          3HG1      VAL  33  -1.313   3.575   3.575
  199   3HG1  VAL  33          1HG1      VAL  33  -1.959   2.455   2.455
  200   1HG2  VAL  33          1HG2      VAL  33   1.196   3.864   3.864
  201   2HG2  VAL  33          2HG2      VAL  33   2.005   2.548   2.548
  202   3HG2  VAL  33          3HG2      VAL  33   0.646   2.184   2.184
  203    H    GLY  34           HN       GLY  34   1.166   3.503   3.503
  204   1HA   GLY  34          1HA       GLY  34   3.551   4.272   4.272
  205   2HA   GLY  34          2HA       GLY  34   3.123   2.583   2.583
  206    H    SER  35           HN       SER  35   4.612   4.966   4.966
  207    HA   SER  35           HA       SER  35   6.744   3.354   3.354
  208   1HB   SER  35          2HB       SER  35   5.202   1.859   1.859
  209   2HB   SER  35          3HB       SER  35   4.534   3.196   3.196
  210    HG   SER  35           HG       SER  35   7.254   3.162   3.162
  211    H    ASN  36           HN       ASN  36   5.026   4.842   4.842
  212    HA   ASN  36           HA       ASN  36   6.749   7.170   7.170
  213   1HB   ASN  36          2HB       ASN  36   6.065   5.499   5.499
  214   2HB   ASN  36          3HB       ASN  36   6.333   7.214   7.214
  215   1HD2  ASN  36          2HD2      ASN  36   9.532   5.323   5.323
  216   2HD2  ASN  36          1HD2      ASN  36   7.938   5.244   5.244
  217    H    SER  37           HN       SER  37   5.562   8.607   8.607
  218    HA   SER  37           HA       SER  37   3.140   9.417   9.417
  219   1HB   SER  37          2HB       SER  37   3.290  11.370  11.370
  220   2HB   SER  37          3HB       SER  37   4.971  10.932  10.932
  221    HG   SER  37           HG       SER  37   5.190  10.487  10.487
  222    H    TYR  38           HN       TYR  38   3.177   6.720   6.720
  223    HA   TYR  38           HA       TYR  38   1.721   6.916   6.916
  224   1HB   TYR  38          2HB       TYR  38   2.341   4.648   4.648
  225   2HB   TYR  38          3HB       TYR  38   1.704   4.387   4.387
  226    HD1  TYR  38           HD2      TYR  38   4.247   6.978   6.978
  227    HD2  TYR  38           HD1      TYR  38   3.565   2.938   2.938
  228    HE1  TYR  38           HE2      TYR  38   6.615   6.851   6.851
  229    HE2  TYR  38           HE1      TYR  38   5.935   2.825   2.825
  230    HH   TYR  38           HH       TYR  38   7.745   3.933   3.933
  231    HA   PRO  39           HA       PRO  39   0.428   5.759   5.759
  232   1HB   PRO  39          2HB       PRO  39  -1.825   6.429   6.429
  233   2HB   PRO  39          3HB       PRO  39  -1.519   4.814   4.814
  234   1HG   PRO  39          2HG       PRO  39  -3.377   6.865   6.865
  235   2HG   PRO  39          3HG       PRO  39  -3.360   5.140   5.140
  236   1HD   PRO  39          2HD       PRO  39  -2.449   7.212   7.212
  237   2HD   PRO  39          3HD       PRO  39  -2.325   5.484   5.484
  238    H    HIS  40           HN       HIS  40   0.330   7.085   7.085
  239    HA   HIS  40           HA       HIS  40  -0.056   9.808   9.808
  240   1HB   HIS  40          2HB       HIS  40   2.121  10.732  10.732
  241   2HB   HIS  40          3HB       HIS  40   1.755   9.699   9.699
  242    HD1  HIS  40           HD1      HIS  40   3.777   9.625   9.625
  243    HD2  HIS  40           HD2      HIS  40   3.628   7.742   7.742
  244    HE1  HIS  40           HE1      HIS  40   5.849   8.142   8.142
  245    HE2  HIS  40           HE2      HIS  40   5.731   7.053   7.053
  246    H    LYS  41           HN       LYS  41   1.112  10.977  10.977
  247    HA   LYS  41           HA       LYS  41   0.512   9.762   9.762
  248   1HB   LYS  41          2HB       LYS  41   1.554  12.185  12.185
  249   2HB   LYS  41          3HB       LYS  41   2.883  11.509  11.509
  250   1HG   LYS  41          2HG       LYS  41   1.652  11.407  11.407
  251   2HG   LYS  41          3HG       LYS  41   0.115  11.263  11.263
  252   1HD   LYS  41          2HD       LYS  41   0.223  13.485  13.485
  253   2HD   LYS  41          3HD       LYS  41   0.334  13.662  13.662
  254   1HE   LYS  41          2HE       LYS  41   2.911  13.372  13.372
  255   2HE   LYS  41          3HE       LYS  41   2.057  14.897  14.897
  256   1HZ   LYS  41          3HZ       LYS  41   2.064  15.022  15.022
  257   2HZ   LYS  41          1HZ       LYS  41   2.876  13.608  13.608
  258   3HZ   LYS  41          2HZ       LYS  41   3.587  14.909  14.909
  259    H    TYR  42           HN       TYR  42   2.089   9.095   9.095
  260    HA   TYR  42           HA       TYR  42   4.426   7.692   7.692
  261   1HB   TYR  42          2HB       TYR  42   2.636   6.024   6.024
  262   2HB   TYR  42          3HB       TYR  42   1.880   6.525   6.525
  263    HD1  TYR  42           HD2      TYR  42   4.597   4.549   4.549
  264    HD2  TYR  42           HD1      TYR  42   2.728   5.752   5.752
  265    HE1  TYR  42           HE2      TYR  42   5.838   2.713   2.713
  266    HE2  TYR  42           HE1      TYR  42   3.975   3.912   3.912
  267    HH   TYR  42           HH       TYR  42   6.429   1.992   1.992
  268    H    ASN  43           HN       ASN  43   3.279   9.897   9.897
  269    HA   ASN  43           HA       ASN  43   3.348   9.864   9.864
  270   1HB   ASN  43          2HB       ASN  43   5.498  11.061  11.061
  271   2HB   ASN  43          3HB       ASN  43   5.928  10.934  10.934
  272   1HD2  ASN  43          2HD2      ASN  43   2.322  12.847  12.847
  273   2HD2  ASN  43          1HD2      ASN  43   2.654  11.263  11.263
  274    H    ASN  44           HN       ASN  44   3.501   7.628   7.628
  275    HA   ASN  44           HA       ASN  44   5.755   6.074   6.074
  276   1HB   ASN  44          2HB       ASN  44   4.740   4.671   4.671
  277   2HB   ASN  44          3HB       ASN  44   3.402   5.405   5.405
  278   1HD2  ASN  44          2HD2      ASN  44   4.295   6.408   6.408
  279   2HD2  ASN  44          1HD2      ASN  44   5.419   5.583   5.583
  280    H    TYR  45           HN       TYR  45   7.131   5.363   5.363
  281    HA   TYR  45           HA       TYR  45   7.434   7.198   7.198
  282   1HB   TYR  45          2HB       TYR  45   9.014   7.414   7.414
  283   2HB   TYR  45          3HB       TYR  45   9.977   7.487   7.487
  284    HD1  TYR  45           HD1      TYR  45   6.982   8.785   8.785
  285    HD2  TYR  45           HD2      TYR  45  10.232   9.792   9.792
  286    HE1  TYR  45           HE1      TYR  45   6.423  11.253  11.253
  287    HE2  TYR  45           HE2      TYR  45   9.662  12.256  12.256
  288    HH   TYR  45           HH       TYR  45   8.258  13.563  13.563
  289    H    GLU  46           HN       GLU  46   9.013   4.753   4.753
  290    HA   GLU  46           HA       GLU  46  10.933   3.801   3.801
  291   1HB   GLU  46          2HB       GLU  46   8.888   2.163   2.163
  292   2HB   GLU  46          3HB       GLU  46  10.407   1.519   1.519
  293   1HG   GLU  46          2HG       GLU  46  11.410   3.668   3.668
  294   2HG   GLU  46          3HG       GLU  46   9.920   3.537   3.537
  295    H    GLY  47           HN       GLY  47   7.520   3.785   3.785
  296   1HA   GLY  47          1HA       GLY  47   6.970   3.543   3.543
  297   2HA   GLY  47          2HA       GLY  47   8.108   2.214   2.214
  298    H    PHE  48           HN       PHE  48   5.342   3.153   3.153
  299    HA   PHE  48           HA       PHE  48   4.505   0.356   0.356
  300   1HB   PHE  48          2HB       PHE  48   3.860   2.811   2.811
  301   2HB   PHE  48          3HB       PHE  48   3.030   1.281   1.281
  302    HD1  PHE  48           HD2      PHE  48   4.368  -0.744  -0.744
  303    HD2  PHE  48           HD1      PHE  48   5.988   3.178   3.178
  304    HE1  PHE  48           HE2      PHE  48   6.184  -1.521  -1.521
  305    HE2  PHE  48           HE1      PHE  48   7.804   2.400   2.400
  306    HZ   PHE  48           HZ       PHE  48   7.881   0.061   0.061
  307    H    ASP  49           HN       ASP  49   2.565  -0.289  -0.289
  308    HA   ASP  49           HA       ASP  49   1.127   1.812   1.812
  309   1HB   ASP  49          2HB       ASP  49   0.453  -1.109  -1.109
  310   2HB   ASP  49          3HB       ASP  49   0.406   0.164   0.164
  311    H    PHE  50           HN       PHE  50   0.485   2.167   2.167
  312    HA   PHE  50           HA       PHE  50  -1.244   0.425   0.425
  313   1HB   PHE  50          2HB       PHE  50  -1.038   3.493   3.493
  314   2HB   PHE  50          3HB       PHE  50  -1.999   2.650   2.650
  315    HD1  PHE  50           HD1      PHE  50   0.326   0.355   0.355
  316    HD2  PHE  50           HD2      PHE  50   0.134   4.512   4.512
  317    HE1  PHE  50           HE1      PHE  50   2.346   0.152   0.152
  318    HE2  PHE  50           HE2      PHE  50   2.154   4.309   4.309
  319    HZ   PHE  50           HZ       PHE  50   3.236   2.132   2.132
  320    H    SER  51           HN       SER  51  -3.136  -0.405  -0.405
  321    HA   SER  51           HA       SER  51  -4.525   0.696   0.696
  322   1HB   SER  51          2HB       SER  51  -6.287  -0.937  -0.937
  323   2HB   SER  51          3HB       SER  51  -4.700  -1.672  -1.672
  324    HG   SER  51           HG       SER  51  -6.491  -0.922  -0.922
  325    H    VAL  52           HN       VAL  52  -4.106   2.062   2.062
  326    HA   VAL  52           HA       VAL  52  -6.822   3.180   3.180
  327    HB   VAL  52           HB       VAL  52  -6.422   3.670   3.670
  328   1HG1  VAL  52          3HG1      VAL  52  -7.291   1.434   1.434
  329   2HG1  VAL  52          1HG1      VAL  52  -5.628   0.803   0.803
  330   3HG1  VAL  52          2HG1      VAL  52  -6.350   1.406   1.406
  331   1HG2  VAL  52          2HG2      VAL  52  -3.639   2.604   2.604
  332   2HG2  VAL  52          3HG2      VAL  52  -4.110   4.199   4.199
  333   3HG2  VAL  52          1HG2      VAL  52  -4.324   2.745   2.745
  334    H    SER  53           HN       SER  53  -7.042   5.493   5.493
  335    HA   SER  53           HA       SER  53  -4.896   6.854   6.854
  336   1HB   SER  53          2HB       SER  53  -7.672   7.748   7.748
  337   2HB   SER  53          3HB       SER  53  -6.541   8.800   8.800
  338    HG   SER  53           HG       SER  53  -7.524   6.277   6.277
  339    H    SER  54           HN       SER  54  -4.475   9.249   9.249
  340    HA   SER  54           HA       SER  54  -3.490   8.857   8.857
  341   1HB   SER  54          2HB       SER  54  -2.710  11.304  11.304
  342   2HB   SER  54          3HB       SER  54  -2.027  10.073  10.073
  343    HG   SER  54           HG       SER  54  -2.885  11.046  11.046
  344    HA   PRO  55           HA       PRO  55  -2.715  10.774  10.774
  345   1HB   PRO  55          2HB       PRO  55  -2.711  11.196  11.196
  346   2HB   PRO  55          3HB       PRO  55  -2.682  12.497  12.497
  347   1HG   PRO  55          2HG       PRO  55  -4.930  11.562  11.562
  348   2HG   PRO  55          3HG       PRO  55  -4.750  13.088  13.088
  349   1HD   PRO  55          2HD       PRO  55  -6.374  10.865  10.865
  350   2HD   PRO  55          3HD       PRO  55  -6.102  12.345  12.345
  351    H    TYR  56           HN       TYR  56  -1.142   9.516   9.516
  352    HA   TYR  56           HA       TYR  56  -2.431   6.911   6.911
  353   1HB   TYR  56          2HB       TYR  56   0.365   7.843   7.843
  354   2HB   TYR  56          3HB       TYR  56   0.049   6.179   6.179
  355    HD1  TYR  56           HD1      TYR  56  -2.880   6.366   6.366
  356    HD2  TYR  56           HD2      TYR  56   1.096   7.117   7.117
  357    HE1  TYR  56           HE1      TYR  56  -3.611   5.862   5.862
  358    HE2  TYR  56           HE2      TYR  56   0.351   6.612   6.612
  359    HH   TYR  56           HH       TYR  56  -2.773   6.583   6.583
  360    H    TYR  57           HN       TYR  57  -2.398   6.131   6.131
  361    HA   TYR  57           HA       TYR  57  -0.581   7.477   7.477
  362   1HB   TYR  57          2HB       TYR  57  -3.205   5.891   5.891
  363   2HB   TYR  57          3HB       TYR  57  -2.352   6.668   6.668
  364    HD1  TYR  57           HD2      TYR  57  -1.722   9.054   9.054
  365    HD2  TYR  57           HD1      TYR  57  -5.177   7.252   7.252
  366    HE1  TYR  57           HE2      TYR  57  -3.049  11.186  11.186
  367    HE2  TYR  57           HE1      TYR  57  -6.491   9.390   9.390
  368    HH   TYR  57           HH       TYR  57  -5.348  12.161  12.161
  369    H    GLU  58           HN       GLU  58   1.126   6.301   6.301
  370    HA   GLU  58           HA       GLU  58   1.194   3.522   3.522
  371   1HB   GLU  58          2HB       GLU  58   3.484   3.649   3.649
  372   2HB   GLU  58          3HB       GLU  58   3.226   4.835   4.835
  373   1HG   GLU  58          2HG       GLU  58   2.927   6.626   6.626
  374   2HG   GLU  58          3HG       GLU  58   2.760   5.508   5.508
  375    H    TRP  59           HN       TRP  59   1.116   1.768   1.768
  376    HA   TRP  59           HA       TRP  59   1.080   2.194   2.194
  377   1HB   TRP  59          2HB       TRP  59  -1.127   3.014   3.014
  378   2HB   TRP  59          3HB       TRP  59  -1.537   1.702   1.702
  379    HD1  TRP  59           HD1      TRP  59  -2.392  -0.570  -0.570
  380    HE1  TRP  59           HE1      TRP  59  -3.004  -1.375  -1.375
  381    HE3  TRP  59           HE3      TRP  59  -0.322   3.407   3.407
  382    HZ2  TRP  59           HZ2      TRP  59  -2.562  -0.283  -0.283
  383    HZ3  TRP  59           HZ3      TRP  59  -0.457   3.461   3.461
  384    HH2  TRP  59           HH2      TRP  59  -1.529   1.701   1.701
  385    HA   PRO  60           HA       PRO  60   2.283  -1.947  -1.947
  386   1HB   PRO  60          2HB       PRO  60   2.497  -2.739  -2.739
  387   2HB   PRO  60          3HB       PRO  60   3.752  -1.845  -1.845
  388   1HG   PRO  60          2HG       PRO  60   1.827  -0.883  -0.883
  389   2HG   PRO  60          3HG       PRO  60   3.329  -0.147  -0.147
  390   1HD   PRO  60          2HD       PRO  60   0.675   0.656   0.656
  391   2HD   PRO  60          3HD       PRO  60   2.178   1.316   1.316
  392    H    ILE  61           HN       ILE  61   1.563  -4.084  -4.084
  393    HA   ILE  61           HA       ILE  61  -1.219  -4.295  -4.295
  394    HB   ILE  61           HB       ILE  61  -0.762  -4.171  -4.171
  395   1HG1  ILE  61          2HG1      ILE  61  -2.210  -6.611  -6.611
  396   2HG1  ILE  61          3HG1      ILE  61  -2.866  -4.987  -4.987
  397   1HG2  ILE  61          1HG2      ILE  61   1.270  -5.743  -5.743
  398   2HG2  ILE  61          2HG2      ILE  61   0.068  -7.056  -7.056
  399   3HG2  ILE  61          3HG2      ILE  61   0.189  -5.954  -5.954
  400   1HD1  ILE  61          3HD1      ILE  61  -1.755  -5.810  -5.810
  401   2HD1  ILE  61          1HD1      ILE  61  -3.043  -6.900  -6.900
  402   3HD1  ILE  61          2HD1      ILE  61  -3.365  -5.158  -5.158
  403    H    LEU  62           HN       LEU  62  -1.725  -5.931  -5.931
  404    HA   LEU  62           HA       LEU  62   0.482  -7.718  -7.718
  405   1HB   LEU  62          2HB       LEU  62  -2.004  -6.866  -6.866
  406   2HB   LEU  62          3HB       LEU  62  -0.935  -8.137  -8.137
  407    HG   LEU  62           HG       LEU  62   0.145  -5.386  -5.386
  408   1HD1  LEU  62          2HD1      LEU  62  -1.932  -5.499  -5.499
  409   2HD1  LEU  62          3HD1      LEU  62  -0.700  -6.072  -6.072
  410   3HD1  LEU  62          1HD1      LEU  62  -0.513  -4.486  -4.486
  411   1HD2  LEU  62          1HD2      LEU  62   1.034  -7.788  -7.788
  412   2HD2  LEU  62          2HD2      LEU  62   1.911  -6.842  -6.842
  413   3HD2  LEU  62          3HD2      LEU  62   1.648  -6.166  -6.166
  414    H    SER  63           HN       SER  63   0.471  -9.767  -9.767
  415    HA   SER  63           HA       SER  63  -1.711 -10.685 -10.685
  416   1HB   SER  63          2HB       SER  63   0.809 -11.291 -11.291
  417   2HB   SER  63          3HB       SER  63   0.522 -12.422 -12.422
  418    HG   SER  63           HG       SER  63   0.307 -13.374 -13.374
  419    H    SER  64           HN       SER  64  -1.496 -10.257 -10.257
  420    HA   SER  64           HA       SER  64  -2.744 -12.779 -12.779
  421   1HB   SER  64          2HB       SER  64  -1.371 -10.590 -10.590
  422   2HB   SER  64          3HB       SER  64  -2.657 -11.426 -11.426
  423    HG   SER  64           HG       SER  64  -0.116 -12.355 -12.355
  424    H    GLY  65           HN       GLY  65  -3.535  -9.589  -9.589
  425   1HA   GLY  65          1HA       GLY  65  -5.623  -8.745  -8.745
  426   2HA   GLY  65          2HA       GLY  65  -6.337 -10.033 -10.033
  427    H    ASP  66           HN       ASP  66  -3.680  -7.789  -7.789
  428    HA   ASP  66           HA       ASP  66  -5.481  -6.871  -6.871
  429   1HB   ASP  66          2HB       ASP  66  -2.430  -7.015  -7.015
  430   2HB   ASP  66          3HB       ASP  66  -3.345  -6.313  -6.313
  431    H    VAL  67           HN       VAL  67  -4.004  -4.614  -4.614
  432    HA   VAL  67           HA       VAL  67  -3.817  -2.981  -2.981
  433    HB   VAL  67           HB       VAL  67  -5.250  -2.529  -2.529
  434   1HG1  VAL  67          2HG1      VAL  67  -4.137  -0.349  -0.349
  435   2HG1  VAL  67          3HG1      VAL  67  -5.379  -0.096  -0.096
  436   3HG1  VAL  67          1HG1      VAL  67  -3.748  -0.638  -0.638
  437   1HG2  VAL  67          3HG2      VAL  67  -5.877  -2.562  -2.562
  438   2HG2  VAL  67          1HG2      VAL  67  -6.872  -3.033  -3.033
  439   3HG2  VAL  67          2HG2      VAL  67  -6.705  -1.315  -1.315
  440    H    TYR  68           HN       TYR  68  -1.668  -2.626  -2.626
  441    HA   TYR  68           HA       TYR  68   0.331  -2.889  -2.889
  442   1HB   TYR  68          2HB       TYR  68   1.081  -2.405  -2.405
  443   2HB   TYR  68          3HB       TYR  68  -0.296  -1.373  -1.373
  444    HD1  TYR  68           HD2      TYR  68   2.673  -1.281  -1.281
  445    HD2  TYR  68           HD1      TYR  68   0.246   0.812   0.812
  446    HE1  TYR  68           HE2      TYR  68   4.149   0.775   0.775
  447    HE2  TYR  68           HE1      TYR  68   1.730   2.861   2.861
  448    HH   TYR  68           HH       TYR  68   3.246   3.760   3.760
  449    H    SER  69           HN       SER  69  -0.142  -2.155  -2.155
  450    HA   SER  69           HA       SER  69  -0.620   0.689   0.689
  451   1HB   SER  69          2HB       SER  69  -1.225   0.210   0.210
  452   2HB   SER  69          3HB       SER  69  -2.062  -0.917  -0.917
  453    HG   SER  69           HG       SER  69  -1.236  -2.247  -2.247
  454    H    GLY  70           HN       GLY  70   1.977  -1.438  -1.438
  455   1HA   GLY  70          1HA       GLY  70   3.694   0.375   0.375
  456   2HA   GLY  70          2HA       GLY  70   3.850  -1.367  -1.367
  457    H    GLY  71           HN       GLY  71   5.806   0.692   0.692
  458   1HA   GLY  71          1HA       GLY  71   5.983   0.529   0.529
  459   2HA   GLY  71          2HA       GLY  71   7.229   1.049   1.049
  460    H    SER  72           HN       SER  72   5.486  -2.124  -2.124
  461    HA   SER  72           HA       SER  72   7.957  -3.329  -3.329
  462   1HB   SER  72          2HB       SER  72   7.878  -5.062  -5.062
  463   2HB   SER  72          3HB       SER  72   8.028  -3.471  -3.471
  464    HG   SER  72           HG       SER  72   5.449  -3.736  -3.736
  465    HA   PRO  73           HA       PRO  73   3.974  -4.988  -4.988
  466   1HB   PRO  73          2HB       PRO  73   3.962  -3.841  -3.841
  467   2HB   PRO  73          3HB       PRO  73   3.063  -3.196  -3.196
  468   1HG   PRO  73          2HG       PRO  73   5.567  -2.194  -2.194
  469   2HG   PRO  73          3HG       PRO  73   4.443  -1.355  -1.355
  470   1HD   PRO  73          2HD       PRO  73   6.989  -2.451  -2.451
  471   2HD   PRO  73          3HD       PRO  73   5.814  -1.716  -1.716
  472    H    GLY  74           HN       GLY  74   5.979  -4.308  -4.308
  473   1HA   GLY  74          1HA       GLY  74   7.634  -6.477  -6.477
  474   2HA   GLY  74          2HA       GLY  74   6.111  -7.109  -7.109
  475    H    ALA  75           HN       ALA  75   8.460  -6.998  -6.998
  476    HA   ALA  75           HA       ALA  75   8.905  -4.835  -4.835
  477   1HB   ALA  75          1HB       ALA  75   8.773  -7.794  -7.794
  478   2HB   ALA  75          2HB       ALA  75   9.271  -6.600  -6.600
  479   3HB   ALA  75          3HB       ALA  75  10.207  -6.777  -6.777
  480    H    ASP  76           HN       ASP  76   6.036  -6.954  -6.954
  481    HA   ASP  76           HA       ASP  76   5.007  -6.084  -6.084
  482   1HB   ASP  76          2HB       ASP  76   3.301  -6.885  -6.885
  483   2HB   ASP  76          3HB       ASP  76   2.976  -7.165  -7.165
  484    H    ARG  77           HN       ARG  77   4.022  -4.111  -4.111
  485    HA   ARG  77           HA       ARG  77   2.815  -2.651  -2.651
  486   1HB   ARG  77          2HB       ARG  77   4.635  -1.262  -1.262
  487   2HB   ARG  77          3HB       ARG  77   3.935  -0.567  -0.567
  488   1HG   ARG  77          2HG       ARG  77   5.688  -2.999  -2.999
  489   2HG   ARG  77          3HG       ARG  77   6.471  -1.479  -1.479
  490   1HD   ARG  77          2HD       ARG  77   4.734  -0.673  -0.673
  491   2HD   ARG  77          3HD       ARG  77   5.079  -2.313  -2.313
  492    HE   ARG  77           HE       ARG  77   7.233  -0.298  -0.298
  493   1HH1  ARG  77           HH2      ARG  77   5.920  -2.949  -2.949
  494   2HH1  ARG  77           HH2      ARG  77   7.272  -3.015  -3.015
  495   1HH2  ARG  77           HH1      ARG  77   9.019  -0.384  -0.384
  496   2HH2  ARG  77           HH1      ARG  77   9.048  -1.545  -1.545
  497    H    VAL  78           HN       VAL  78   1.048  -1.286  -1.286
  498    HA   VAL  78           HA       VAL  78   0.331  -1.653  -1.653
  499    HB   VAL  78           HB       VAL  78  -2.029  -1.322  -1.322
  500   1HG1  VAL  78          2HG1      VAL  78  -0.298  -3.678  -3.678
  501   2HG1  VAL  78          3HG1      VAL  78  -1.665  -3.843  -3.843
  502   3HG1  VAL  78          1HG1      VAL  78  -1.968  -3.479  -3.479
  503   1HG2  VAL  78          3HG2      VAL  78  -1.415  -0.474  -0.474
  504   2HG2  VAL  78          1HG2      VAL  78  -2.389  -1.957  -1.957
  505   3HG2  VAL  78          2HG2      VAL  78  -0.629  -2.023  -2.023
  506    H    VAL  79           HN       VAL  79  -0.674   0.152   0.152
  507    HA   VAL  79           HA       VAL  79  -0.393   2.695   2.695
  508    HB   VAL  79           HB       VAL  79   0.632   2.027   2.027
  509   1HG1  VAL  79          1HG1      VAL  79  -0.497   4.324   4.324
  510   2HG1  VAL  79          2HG1      VAL  79   0.909   4.707   4.707
  511   3HG1  VAL  79          3HG1      VAL  79   1.141   4.291   4.291
  512   1HG2  VAL  79          2HG2      VAL  79   1.909   1.526   1.526
  513   2HG2  VAL  79          3HG2      VAL  79   2.752   2.039   2.039
  514   3HG2  VAL  79          1HG2      VAL  79   2.371   3.231   3.231
  515    H    PHE  80           HN       PHE  80  -2.384   3.585   3.585
  516    HA   PHE  80           HA       PHE  80  -4.119   3.158   3.158
  517   1HB   PHE  80          2HB       PHE  80  -5.973   3.185   3.185
  518   2HB   PHE  80          3HB       PHE  80  -4.784   2.015   2.015
  519    HD1  PHE  80           HD2      PHE  80  -2.984   2.926   2.926
  520    HD2  PHE  80           HD1      PHE  80  -6.731   4.782   4.782
  521    HE1  PHE  80           HE2      PHE  80  -2.829   4.094   4.094
  522    HE2  PHE  80           HE1      PHE  80  -6.578   5.949   5.949
  523    HZ   PHE  80           HZ       PHE  80  -4.629   5.591   5.591
  524    H    ASN  81           HN       ASN  81  -6.154   4.995   4.995
  525    HA   ASN  81           HA       ASN  81  -4.680   7.494   7.494
  526   1HB   ASN  81          2HB       ASN  81  -7.285   7.418   7.418
  527   2HB   ASN  81          3HB       ASN  81  -5.852   8.373   8.373
  528   1HD2  ASN  81          2HD2      ASN  81  -6.244   4.506   4.506
  529   2HD2  ASN  81          1HD2      ASN  81  -7.181   5.099   5.099
  530    H    GLU  82           HN       GLU  82  -7.077   9.153   9.153
  531    HA   GLU  82           HA       GLU  82  -8.073   8.527   8.527
  532   1HB   GLU  82          2HB       GLU  82  -7.165  10.817  10.817
  533   2HB   GLU  82          3HB       GLU  82  -8.522  11.029  11.029
  534   1HG   GLU  82          2HG       GLU  82 -10.118  10.781  10.781
  535   2HG   GLU  82          3HG       GLU  82  -8.806  10.438  10.438
  536    H    ASN  83           HN       ASN  83  -8.876   7.516   7.516
  537    HA   ASN  83           HA       ASN  83 -11.694   8.099   8.099
  538   1HB   ASN  83          2HB       ASN  83 -11.300   6.320   6.320
  539   2HB   ASN  83          3HB       ASN  83 -11.437   8.063   8.063
  540   1HD2  ASN  83          2HD2      ASN  83  -7.891   6.104   6.104
  541   2HD2  ASN  83          1HD2      ASN  83  -9.367   5.317   5.317
  542    H    ASN  84           HN       ASN  84  -9.279   5.630   5.630
  543    HA   ASN  84           HA       ASN  84  -9.794   3.948   3.948
  544   1HB   ASN  84          2HB       ASN  84 -11.909   2.858   2.858
  545   2HB   ASN  84          3HB       ASN  84 -12.344   4.510   4.510
  546   1HD2  ASN  84          2HD2      ASN  84 -12.371   3.319   3.319
  547   2HD2  ASN  84          1HD2      ASN  84 -11.183   4.179   4.179
  548    H    GLN  85           HN       GLN  85  -8.696   4.365   4.365
  549    HA   GLN  85           HA       GLN  85  -8.968   1.621   1.621
  550   1HB   GLN  85          2HB       GLN  85  -8.059   4.128   4.128
  551   2HB   GLN  85          3HB       GLN  85  -8.108   2.523   2.523
  552   1HG   GLN  85          2HG       GLN  85 -10.539   2.390   2.390
  553   2HG   GLN  85          3HG       GLN  85 -10.549   3.893   3.893
  554   1HE2  GLN  85          2HE2      GLN  85  -9.890   6.002   6.002
  555   2HE2  GLN  85          1HE2      GLN  85  -9.454   5.769   5.769
  556    H    LEU  86           HN       LEU  86  -7.303   0.282   0.282
  557    HA   LEU  86           HA       LEU  86  -4.720   1.528   1.528
  558   1HB   LEU  86          2HB       LEU  86  -5.623   0.263   0.263
  559   2HB   LEU  86          3HB       LEU  86  -5.943  -1.116  -1.116
  560    HG   LEU  86           HG       LEU  86  -3.162  -0.073  -0.073
  561   1HD1  LEU  86          3HD1      LEU  86  -4.963  -1.661  -1.661
  562   2HD1  LEU  86          1HD1      LEU  86  -3.441  -2.513  -2.513
  563   3HD1  LEU  86          2HD1      LEU  86  -3.403  -0.903  -0.903
  564   1HD2  LEU  86          3HD2      LEU  86  -4.101  -1.852  -1.852
  565   2HD2  LEU  86          1HD2      LEU  86  -2.415  -1.555  -1.555
  566   3HD2  LEU  86          2HD2      LEU  86  -3.345  -2.865  -2.865
  567    H    ALA  87           HN       ALA  87  -2.752   0.572   0.572
  568    HA   ALA  87           HA       ALA  87  -2.994  -1.381  -1.381
  569   1HB   ALA  87          2HB       ALA  87  -2.357   1.517   1.517
  570   2HB   ALA  87          3HB       ALA  87  -2.130   0.135   0.135
  571   3HB   ALA  87          1HB       ALA  87  -3.765   0.577   0.577
  572    H    GLY  88           HN       GLY  88  -1.087   1.207   1.207
  573   1HA   GLY  88          1HA       GLY  88   1.468   0.451   0.451
  574   2HA   GLY  88          2HA       GLY  88   0.989   1.169   1.169
  575    H    VAL  89           HN       VAL  89   0.481  -2.063  -2.063
  576    HA   VAL  89           HA       VAL  89   0.846  -3.355  -3.355
  577    HB   VAL  89           HB       VAL  89  -0.143  -4.039  -4.039
  578   1HG1  VAL  89          3HG1      VAL  89   1.335  -6.021  -6.021
  579   2HG1  VAL  89          1HG1      VAL  89   0.035  -6.531  -6.531
  580   3HG1  VAL  89          2HG1      VAL  89   1.489  -5.731  -5.731
  581   1HG2  VAL  89          2HG2      VAL  89  -1.027  -4.107  -4.107
  582   2HG2  VAL  89          3HG2      VAL  89  -1.977  -3.997  -3.997
  583   3HG2  VAL  89          1HG2      VAL  89  -1.446  -5.586  -5.586
  584    H    ILE  90           HN       ILE  90   3.113  -1.805  -1.805
  585    HA   ILE  90           HA       ILE  90   4.976  -3.494  -3.494
  586    HB   ILE  90           HB       ILE  90   6.547  -1.801  -1.801
  587   1HG1  ILE  90          2HG1      ILE  90   5.554  -1.689  -1.689
  588   2HG1  ILE  90          3HG1      ILE  90   6.714  -0.565  -0.565
  589   1HG2  ILE  90          3HG2      ILE  90   4.605  -1.267  -1.267
  590   2HG2  ILE  90          1HG2      ILE  90   3.916  -0.322  -0.322
  591   3HG2  ILE  90          2HG2      ILE  90   5.491   0.134   0.134
  592   1HD1  ILE  90          1HD1      ILE  90   4.848   0.932   0.932
  593   2HD1  ILE  90          2HD1      ILE  90   3.681  -0.204  -0.204
  594   3HD1  ILE  90          3HD1      ILE  90   4.839   0.659   0.659
  595    H    THR  91           HN       THR  91   7.221  -3.872  -3.872
  596    HA   THR  91           HA       THR  91   6.935  -4.602  -4.602
  597    HB   THR  91           HB       THR  91   5.782  -6.557  -6.557
  598    HG1  THR  91           HG1      THR  91   7.849  -7.164  -7.164
  599   1HG2  THR  91          1HG2      THR  91   7.510  -6.626  -6.626
  600   2HG2  THR  91          2HG2      THR  91   6.324  -7.872  -7.872
  601   3HG2  THR  91          3HG2      THR  91   5.776  -6.225  -6.225
  602    H    HIS  92           HN       HIS  92   8.927  -5.149  -5.149
  603    HA   HIS  92           HA       HIS  92  11.135  -4.073  -4.073
  604   1HB   HIS  92          2HB       HIS  92  10.677  -5.180  -5.180
  605   2HB   HIS  92          3HB       HIS  92  12.318  -4.942  -4.942
  606    HD1  HIS  92           HD1      HIS  92  13.158  -2.833  -2.833
  607    HD2  HIS  92           HD2      HIS  92   9.196  -2.462  -2.462
  608    HE1  HIS  92           HE1      HIS  92  12.486  -0.408  -0.408
  609    HE2  HIS  92           HE2      HIS  92  10.061  -0.227  -0.227
  610    H    THR  93           HN       THR  93   9.636  -6.799  -6.799
  611    HA   THR  93           HA       THR  93  11.350  -8.918  -8.918
  612    HB   THR  93           HB       THR  93   9.251  -8.086  -8.086
  613    HG1  THR  93           HG1      THR  93   9.895 -10.281 -10.281
  614   1HG2  THR  93          1HG2      THR  93  11.231 -10.375 -10.375
  615   2HG2  THR  93          2HG2      THR  93   9.547 -10.562 -10.562
  616   3HG2  THR  93          3HG2      THR  93  10.576  -9.299  -9.299
  617    H    GLY  94           HN       GLY  94  13.524  -8.124  -8.124
  618   1HA   GLY  94          1HA       GLY  94  15.436  -7.363  -7.363
  619   2HA   GLY  94          2HA       GLY  94  15.111  -8.761  -8.761
  620    H    ALA  95           HN       ALA  95  13.134  -5.751  -5.751
  621    HA   ALA  95           HA       ALA  95  12.887  -5.502  -5.502
  622   1HB   ALA  95          1HB       ALA  95  12.733  -3.559  -3.559
  623   2HB   ALA  95          2HB       ALA  95  12.451  -3.019  -3.019
  624   3HB   ALA  95          3HB       ALA  95  11.410  -4.271  -4.271
  625    H    SER  96           HN       SER  96  15.524  -4.477  -4.477
  626    HA   SER  96           HA       SER  96  17.612  -4.558  -4.558
  627   1HB   SER  96          2HB       SER  96  16.813  -3.791  -3.791
  628   2HB   SER  96          3HB       SER  96  16.041  -2.383  -2.383
  629    HG   SER  96           HG       SER  96  18.310  -1.705  -1.705
  630    H    GLY  97           HN       GLY  97  16.677  -3.906  -3.906
  631   1HA   GLY  97          1HA       GLY  97  18.135  -2.764  -2.764
  632   2HA   GLY  97          2HA       GLY  97  18.109  -1.367  -1.367
  633    H    ASN  98           HN       ASN  98  16.774   0.266   0.266
  634    HA   ASN  98           HA       ASN  98  14.693  -0.410  -0.410
  635   1HB   ASN  98          2HB       ASN  98  16.173   1.482   1.482
  636   2HB   ASN  98          3HB       ASN  98  15.843   2.262   2.262
  637   1HD2  ASN  98          2HD2      ASN  98  12.412   1.880   1.880
  638   2HD2  ASN  98          1HD2      ASN  98  13.355   0.525   0.525
  639    H    ASN  99           HN       ASN  99  15.140  -0.055  -0.055
  640    HA   ASN  99           HA       ASN  99  13.015   1.523   1.523
  641   1HB   ASN  99          2HB       ASN  99  13.299   0.517   0.517
  642   2HB   ASN  99          3HB       ASN  99  14.894   0.624   0.624
  643   1HD2  ASN  99          2HD2      ASN  99  14.502  -3.009  -3.009
  644   2HD2  ASN  99          1HD2      ASN  99  14.444  -1.505  -1.505
  645    H    PHE 100           HN       PHE 100  10.890   0.770   0.770
  646    HA   PHE 100           HA       PHE 100   9.941  -1.637  -1.637
  647   1HB   PHE 100          2HB       PHE 100   8.770   1.056   1.056
  648   2HB   PHE 100          3HB       PHE 100   7.682  -0.301  -0.301
  649    HD1  PHE 100           HD2      PHE 100   8.232  -1.648  -1.648
  650    HD2  PHE 100           HD1      PHE 100   8.948   2.469   2.469
  651    HE1  PHE 100           HE2      PHE 100   8.155  -1.197  -1.197
  652    HE2  PHE 100           HE1      PHE 100   8.871   2.922   2.922
  653    HZ   PHE 100           HZ       PHE 100   8.475   1.084   1.084
  654    H    VAL 101           HN       VAL 101   7.958  -2.663  -2.663
  655    HA   VAL 101           HA       VAL 101   7.833  -2.318  -2.318
  656    HB   VAL 101           HB       VAL 101   8.648  -4.576  -4.576
  657   1HG1  VAL 101          3HG1      VAL 101  10.045  -2.454  -2.454
  658   2HG1  VAL 101          1HG1      VAL 101  10.851  -2.984  -2.984
  659   3HG1  VAL 101          2HG1      VAL 101  10.945  -3.989  -3.989
  660   1HG2  VAL 101          1HG2      VAL 101   9.148  -4.677  -4.677
  661   2HG2  VAL 101          2HG2      VAL 101   8.711  -5.974  -5.974
  662   3HG2  VAL 101          3HG2      VAL 101  10.392  -5.396  -5.396
  663    H    GLU 102           HN       GLU 102   5.786  -2.850  -2.850
  664    HA   GLU 102           HA       GLU 102   3.903  -3.538  -3.538
  665   1HB   GLU 102          2HB       GLU 102   2.793  -4.535  -4.535
  666   2HB   GLU 102          3HB       GLU 102   2.855  -2.829  -2.829
  667   1HG   GLU 102          2HG       GLU 102   4.634  -2.398  -2.398
  668   2HG   GLU 102          3HG       GLU 102   5.259  -4.032  -4.032
  669    H    CYS 103           HN       CYS 103   3.139  -5.405  -5.405
  670    HA   CYS 103           HA       CYS 103   4.722  -7.675  -7.675
  671   1HB   CYS 103          2HB       CYS 103   1.924  -7.118  -7.118
  672   2HB   CYS 103          3HB       CYS 103   2.600  -8.732  -8.732
  673    H    THR 104           HN       THR 104   2.707  -6.428  -6.428
  674    HA   THR 104           HA       THR 104   2.220  -7.285  -7.285
  675    HB   THR 104           HB       THR 104   3.082  -9.387  -9.387
  676    HG1  THR 104           HG1      THR 104   1.884 -10.754 -10.754
  677   1HG2  THR 104          2HG2      THR 104   4.681  -7.972  -7.972
  678   2HG2  THR 104          3HG2      THR 104   4.748  -9.679  -9.679
  679   3HG2  THR 104          1HG2      THR 104   5.238  -9.214  -9.214

  Start of MODEL   28
    1    H    ALA   1           HN       ALA   1  -8.970 -15.387 -15.387
    2    HA   ALA   1           HA       ALA   1  -7.039 -15.595 -15.595
    3   1HB   ALA   1          1HB       ALA   1  -7.903 -12.943 -12.943
    4   2HB   ALA   1          2HB       ALA   1  -6.425 -13.800 -13.800
    5   3HB   ALA   1          3HB       ALA   1  -8.015 -14.566 -14.566
    6    H    CYS   2           HN       CYS   2  -4.869 -13.961 -13.961
    7    HA   CYS   2           HA       CYS   2  -4.401 -12.786 -12.786
    8   1HB   CYS   2          2HB       CYS   2  -1.968 -13.510 -13.510
    9   2HB   CYS   2          3HB       CYS   2  -2.533 -13.954 -13.954
   10    H    ASP   3           HN       ASP   3  -5.590 -11.039 -11.039
   11    HA   ASP   3           HA       ASP   3  -4.495  -9.860  -9.860
   12   1HB   ASP   3          2HB       ASP   3  -5.520  -8.434  -8.434
   13   2HB   ASP   3          3HB       ASP   3  -5.320  -7.656  -7.656
   14    H    TYR   4           HN       TYR   4  -3.215  -9.942  -9.942
   15    HA   TYR   4           HA       TYR   4  -0.844  -8.493  -8.493
   16   1HB   TYR   4          2HB       TYR   4  -2.402  -8.223  -8.223
   17   2HB   TYR   4          3HB       TYR   4  -0.885  -7.409  -7.409
   18    HD1  TYR   4           HD2      TYR   4  -0.804  -5.689  -5.689
   19    HD2  TYR   4           HD1      TYR   4  -4.466  -7.269  -7.269
   20    HE1  TYR   4           HE2      TYR   4  -2.077  -3.722  -3.722
   21    HE2  TYR   4           HE1      TYR   4  -5.727  -5.297  -5.297
   22    HH   TYR   4           HH       TYR   4  -4.030  -2.867  -2.867
   23    H    THR   5           HN       THR   5   0.821  -9.912  -9.912
   24    HA   THR   5           HA       THR   5   0.910 -11.637 -11.637
   25    HB   THR   5           HB       THR   5   1.374 -12.295 -12.295
   26    HG1  THR   5           HG1      THR   5  -0.065 -13.542 -13.542
   27   1HG2  THR   5          3HG2      THR   5   3.009 -13.264 -13.264
   28   2HG2  THR   5          1HG2      THR   5   1.688 -14.456 -14.456
   29   3HG2  THR   5          2HG2      THR   5   2.643 -14.136 -14.136
   30    H    CYS   6           HN       CYS   6   2.424 -10.723 -10.723
   31    HA   CYS   6           HA       CYS   6   4.660  -9.407  -9.407
   32   1HB   CYS   6          2HB       CYS   6   3.699  -9.853  -9.853
   33   2HB   CYS   6          3HB       CYS   6   5.354  -9.345  -9.345
   34    H    GLY   7           HN       GLY   7   5.138 -11.594 -11.594
   35   1HA   GLY   7          1HA       GLY   7   6.868 -13.074 -13.074
   36   2HA   GLY   7          2HA       GLY   7   7.275 -12.909 -12.909
   37    H    SER   8           HN       SER   8   4.978 -13.558 -13.558
   38    HA   SER   8           HA       SER   8   3.903 -15.958 -15.958
   39   1HB   SER   8          2HB       SER   8   4.840 -17.518 -17.518
   40   2HB   SER   8          3HB       SER   8   6.187 -16.407 -16.407
   41    HG   SER   8           HG       SER   8   4.983 -15.334 -15.334
   42    H    ASN   9           HN       ASN   9   2.532 -13.635 -13.635
   43    HA   ASN   9           HA       ASN   9   1.152 -14.211 -14.211
   44   1HB   ASN   9          2HB       ASN   9   1.351 -11.499 -11.499
   45   2HB   ASN   9          3HB       ASN   9   0.598 -11.800 -11.800
   46   1HD2  ASN   9          1HD2      ASN   9   3.673 -12.439 -12.439
   47   2HD2  ASN   9          2HD2      ASN   9   4.730 -12.031 -12.031
   48    H    CYS  10           HN       CYS  10  -1.103 -12.512 -12.512
   49    HA   CYS  10           HA       CYS  10  -2.126 -12.762 -12.762
   50   1HB   CYS  10          2HB       CYS  10  -2.212 -15.153 -15.153
   51   2HB   CYS  10          3HB       CYS  10  -3.234 -14.751 -14.751
   52    H    TYR  11           HN       TYR  11  -2.256 -10.468 -10.468
   53    HA   TYR  11           HA       TYR  11  -4.210 -10.029 -10.029
   54   1HB   TYR  11          2HB       TYR  11  -2.790  -8.049  -8.049
   55   2HB   TYR  11          3HB       TYR  11  -3.388  -7.717  -7.717
   56    HD1  TYR  11           HD1      TYR  11  -2.238  -8.944  -8.944
   57    HD2  TYR  11           HD2      TYR  11  -0.548  -8.673  -8.673
   58    HE1  TYR  11           HE1      TYR  11   0.066  -9.448  -9.448
   59    HE2  TYR  11           HE2      TYR  11   1.750  -9.178  -9.178
   60    HH   TYR  11           HH       TYR  11   2.892  -8.954  -8.954
   61    H    SER  12           HN       SER  12  -5.434 -11.366 -11.366
   62    HA   SER  12           HA       SER  12  -6.397 -10.290 -10.290
   63   1HB   SER  12          2HB       SER  12  -8.073 -11.806 -11.806
   64   2HB   SER  12          3HB       SER  12  -7.345 -12.202 -12.202
   65    HG   SER  12           HG       SER  12  -9.692 -11.681 -11.681
   66    H    SER  13           HN       SER  13  -8.149  -8.814  -8.814
   67    HA   SER  13           HA       SER  13  -8.013  -6.352  -6.352
   68   1HB   SER  13          2HB       SER  13 -10.126  -5.890  -5.890
   69   2HB   SER  13          3HB       SER  13  -9.307  -7.139  -7.139
   70    HG   SER  13           HG       SER  13 -10.665  -8.732  -8.732
   71    H    SER  14           HN       SER  14  -9.537  -9.050  -9.050
   72    HA   SER  14           HA       SER  14 -11.168  -7.399  -7.399
   73   1HB   SER  14          2HB       SER  14 -11.837  -9.714  -9.714
   74   2HB   SER  14          3HB       SER  14 -10.447 -10.356 -10.356
   75    HG   SER  14           HG       SER  14 -12.606 -10.304 -10.304
   76    H    ASP  15           HN       ASP  15  -7.893  -8.682  -8.682
   77    HA   ASP  15           HA       ASP  15  -7.557  -8.442  -8.442
   78   1HB   ASP  15          2HB       ASP  15  -5.970  -9.340  -9.340
   79   2HB   ASP  15          3HB       ASP  15  -5.007  -8.544  -8.544
   80    H    VAL  16           HN       VAL  16  -7.143  -6.525  -6.525
   81    HA   VAL  16           HA       VAL  16  -5.294  -4.656  -4.656
   82    HB   VAL  16           HB       VAL  16  -7.190  -4.694  -4.694
   83   1HG1  VAL  16          1HG1      VAL  16  -6.603  -2.347  -2.347
   84   2HG1  VAL  16          2HG1      VAL  16  -5.060  -2.597  -2.597
   85   3HG1  VAL  16          3HG1      VAL  16  -6.588  -2.582  -2.582
   86   1HG2  VAL  16          3HG2      VAL  16  -4.439  -5.544  -5.544
   87   2HG2  VAL  16          1HG2      VAL  16  -5.531  -5.934  -5.934
   88   3HG2  VAL  16          2HG2      VAL  16  -4.567  -4.439  -4.439
   89    H    SER  17           HN       SER  17  -8.804  -4.217  -4.217
   90    HA   SER  17           HA       SER  17  -9.229  -1.866  -1.866
   91   1HB   SER  17          2HB       SER  17 -10.891  -3.459  -3.459
   92   2HB   SER  17          3HB       SER  17 -11.160  -4.184  -4.184
   93    HG   SER  17           HG       SER  17 -12.247  -2.429  -2.429
   94    H    THR  18           HN       THR  18  -9.382  -5.048  -5.048
   95    HA   THR  18           HA       THR  18 -10.076  -4.187  -4.187
   96    HB   THR  18           HB       THR  18  -8.386  -6.414  -6.414
   97    HG1  THR  18           HG1      THR  18 -10.207  -7.481  -7.481
   98   1HG2  THR  18          1HG2      THR  18  -7.362  -5.688  -5.688
   99   2HG2  THR  18          2HG2      THR  18  -8.933  -6.134  -6.134
  100   3HG2  THR  18          3HG2      THR  18  -7.945  -7.366  -7.366
  101    H    ALA  19           HN       ALA  19  -6.692  -4.347  -4.347
  102    HA   ALA  19           HA       ALA  19  -5.508  -3.275  -3.275
  103   1HB   ALA  19          2HB       ALA  19  -4.735  -4.216  -4.216
  104   2HB   ALA  19          3HB       ALA  19  -4.185  -2.523  -2.523
  105   3HB   ALA  19          1HB       ALA  19  -3.658  -3.657  -3.657
  106    H    GLN  20           HN       GLN  20  -6.882  -1.718  -1.718
  107    HA   GLN  20           HA       GLN  20  -6.043   0.827   0.827
  108   1HB   GLN  20          2HB       GLN  20  -8.815   0.354   0.354
  109   2HB   GLN  20          3HB       GLN  20  -7.596   1.492   1.492
  110   1HG   GLN  20          2HG       GLN  20  -6.184  -0.491  -0.491
  111   2HG   GLN  20          3HG       GLN  20  -7.534  -1.537  -1.537
  112   1HE2  GLN  20          2HE2      GLN  20  -8.356   1.366   1.366
  113   2HE2  GLN  20          1HE2      GLN  20  -7.619   1.746   1.746
  114    H    ALA  21           HN       ALA  21  -9.221  -0.678  -0.678
  115    HA   ALA  21           HA       ALA  21 -10.475   1.264   1.264
  116   1HB   ALA  21          2HB       ALA  21 -10.281  -1.613  -1.613
  117   2HB   ALA  21          3HB       ALA  21 -10.545  -0.880  -0.880
  118   3HB   ALA  21          1HB       ALA  21 -11.684  -0.554  -0.554
  119    H    ALA  22           HN       ALA  22  -7.430  -0.253  -0.253
  120    HA   ALA  22           HA       ALA  22  -7.489   1.212   1.212
  121   1HB   ALA  22          1HB       ALA  22  -6.574  -1.173  -1.173
  122   2HB   ALA  22          2HB       ALA  22  -5.171  -0.364  -0.364
  123   3HB   ALA  22          3HB       ALA  22  -5.576  -0.062  -0.062
  124    H    GLY  23           HN       GLY  23  -5.650   1.180   1.180
  125   1HA   GLY  23          1HA       GLY  23  -3.882   3.257   3.257
  126   2HA   GLY  23          2HA       GLY  23  -4.386   2.750   2.750
  127    H    TYR  24           HN       TYR  24  -7.185   3.274   3.274
  128    HA   TYR  24           HA       TYR  24  -7.141   6.092   6.092
  129   1HB   TYR  24          2HB       TYR  24  -8.473   4.099   4.099
  130   2HB   TYR  24          3HB       TYR  24  -9.522   4.166   4.166
  131    HD1  TYR  24           HD1      TYR  24  -8.534   7.455   7.455
  132    HD2  TYR  24           HD2      TYR  24 -11.012   4.477   4.477
  133    HE1  TYR  24           HE1      TYR  24  -9.914   9.274   9.274
  134    HE2  TYR  24           HE2      TYR  24 -12.384   6.305   6.305
  135    HH   TYR  24           HH       TYR  24 -12.503   8.437   8.437
  136    H    LYS  25           HN       LYS  25  -9.217   4.005   4.005
  137    HA   LYS  25           HA       LYS  25 -10.460   5.885   5.885
  138   1HB   LYS  25          2HB       LYS  25 -10.761   3.458   3.458
  139   2HB   LYS  25          3HB       LYS  25  -9.229   3.343   3.343
  140   1HG   LYS  25          2HG       LYS  25 -10.922   3.452   3.452
  141   2HG   LYS  25          3HG       LYS  25 -10.125   5.013   5.013
  142   1HD   LYS  25          2HD       LYS  25 -11.942   6.041   6.041
  143   2HD   LYS  25          3HD       LYS  25 -12.673   4.484   4.484
  144   1HE   LYS  25          2HE       LYS  25 -12.323   4.819   4.819
  145   2HE   LYS  25          3HE       LYS  25 -13.198   6.185   6.185
  146   1HZ   LYS  25          2HZ       LYS  25 -14.282   4.025   4.025
  147   2HZ   LYS  25          3HZ       LYS  25 -14.054   3.514   3.514
  148   3HZ   LYS  25          1HZ       LYS  25 -14.940   4.854   4.854
  149    H    LEU  26           HN       LEU  26  -7.197   4.560   4.560
  150    HA   LEU  26           HA       LEU  26  -6.787   6.408   6.408
  151   1HB   LEU  26          2HB       LEU  26  -5.566   4.372   4.372
  152   2HB   LEU  26          3HB       LEU  26  -4.924   4.722   4.722
  153    HG   LEU  26           HG       LEU  26  -3.680   6.669   6.669
  154   1HD1  LEU  26          1HD1      LEU  26  -5.180   6.809   6.809
  155   2HD1  LEU  26          2HD1      LEU  26  -4.328   5.377   5.377
  156   3HD1  LEU  26          3HD1      LEU  26  -3.431   6.883   6.883
  157   1HD2  LEU  26          3HD2      LEU  26  -3.008   4.014   4.014
  158   2HD2  LEU  26          1HD2      LEU  26  -1.888   5.346   5.346
  159   3HD2  LEU  26          2HD2      LEU  26  -2.607   4.386   4.386
  160    H    HIS  27           HN       HIS  27  -6.358   6.576   6.576
  161    HA   HIS  27           HA       HIS  27  -4.722   8.878   8.878
  162   1HB   HIS  27          2HB       HIS  27  -4.586   7.531   7.531
  163   2HB   HIS  27          3HB       HIS  27  -6.326   7.461   7.461
  164    HD1  HIS  27           HD1      HIS  27  -3.739  10.311  10.311
  165    HD2  HIS  27           HD2      HIS  27  -7.096   9.032   9.032
  166    HE1  HIS  27           HE1      HIS  27  -4.091  12.029  12.029
  167    HE2  HIS  27           HE2      HIS  27  -6.133  11.161  11.161
  168    H    GLU  28           HN       GLU  28  -8.257   8.320   8.320
  169    HA   GLU  28           HA       GLU  28  -8.930  10.928  10.928
  170   1HB   GLU  28          2HB       GLU  28 -11.020   9.592   9.592
  171   2HB   GLU  28          3HB       GLU  28 -10.985  10.006  10.006
  172   1HG   GLU  28          2HG       GLU  28  -9.624   7.941   7.941
  173   2HG   GLU  28          3HG       GLU  28  -9.708   7.523   7.523
  174    H    ASP  29           HN       ASP  29  -8.066   9.264   9.264
  175    HA   ASP  29           HA       ASP  29  -9.209  11.298  11.298
  176   1HB   ASP  29          2HB       ASP  29  -7.380   8.920   8.920
  177   2HB   ASP  29          3HB       ASP  29  -7.873  10.027  10.027
  178    H    GLY  30           HN       GLY  30  -6.340  10.792  10.792
  179   1HA   GLY  30          1HA       GLY  30  -4.497  12.063  12.063
  180   2HA   GLY  30          2HA       GLY  30  -5.148  13.227  13.227
  181    H    GLU  31           HN       GLU  31  -4.889   9.840   9.840
  182    HA   GLU  31           HA       GLU  31  -2.708  10.659  10.659
  183   1HB   GLU  31          2HB       GLU  31  -4.896   8.569   8.569
  184   2HB   GLU  31          3HB       GLU  31  -3.492   8.604   8.604
  185   1HG   GLU  31          2HG       GLU  31  -5.286  11.033  11.033
  186   2HG   GLU  31          3HG       GLU  31  -5.561   9.869   9.869
  187    H    THR  32           HN       THR  32  -1.346   8.565   8.565
  188    HA   THR  32           HA       THR  32  -0.895   6.874   6.874
  189    HB   THR  32           HB       THR  32   1.644   7.272   7.272
  190    HG1  THR  32           HG1      THR  32   0.972   8.561   8.561
  191   1HG2  THR  32          3HG2      THR  32  -0.055   9.424   9.424
  192   2HG2  THR  32          1HG2      THR  32   1.725   9.393   9.393
  193   3HG2  THR  32          2HG2      THR  32   0.806   8.090   8.090
  194    H    VAL  33           HN       VAL  33   0.483   4.935   4.935
  195    HA   VAL  33           HA       VAL  33  -0.553   3.823   3.823
  196    HB   VAL  33           HB       VAL  33   0.674   1.777   1.777
  197   1HG1  VAL  33          3HG1      VAL  33  -1.841   2.610   2.610
  198   2HG1  VAL  33          1HG1      VAL  33  -1.350   2.694   2.694
  199   3HG1  VAL  33          2HG1      VAL  33  -1.228   1.156   1.156
  200   1HG2  VAL  33          3HG2      VAL  33   2.118   3.267   3.267
  201   2HG2  VAL  33          1HG2      VAL  33   1.456   1.766   1.766
  202   3HG2  VAL  33          2HG2      VAL  33   0.692   3.329   3.329
  203    H    GLY  34           HN       GLY  34   0.517   3.778   3.778
  204   1HA   GLY  34          1HA       GLY  34   2.722   5.097   5.097
  205   2HA   GLY  34          2HA       GLY  34   2.278   3.574   3.574
  206    H    SER  35           HN       SER  35   4.606   5.236   5.236
  207    HA   SER  35           HA       SER  35   6.630   3.653   3.653
  208   1HB   SER  35          2HB       SER  35   4.868   1.918   1.918
  209   2HB   SER  35          3HB       SER  35   5.556   2.560   2.560
  210    HG   SER  35           HG       SER  35   6.587   0.616   0.616
  211    H    ASN  36           HN       ASN  36   4.857   4.502   4.502
  212    HA   ASN  36           HA       ASN  36   7.002   6.414   6.414
  213   1HB   ASN  36          2HB       ASN  36   5.959   4.209   4.209
  214   2HB   ASN  36          3HB       ASN  36   5.938   5.746   5.746
  215   1HD2  ASN  36          1HD2      ASN  36   7.517   4.035   4.035
  216   2HD2  ASN  36          2HD2      ASN  36   9.197   4.292   4.292
  217    H    SER  37           HN       SER  37   5.655   7.321   7.321
  218    HA   SER  37           HA       SER  37   3.381   8.642   8.642
  219   1HB   SER  37          2HB       SER  37   3.797  10.537  10.537
  220   2HB   SER  37          3HB       SER  37   5.349  10.061  10.061
  221    HG   SER  37           HG       SER  37   6.047   9.809   9.809
  222    H    TYR  38           HN       TYR  38   3.105   5.996   5.996
  223    HA   TYR  38           HA       TYR  38   1.928   6.369   6.369
  224   1HB   TYR  38          2HB       TYR  38   2.388   3.985   3.985
  225   2HB   TYR  38          3HB       TYR  38   1.746   3.814   3.814
  226    HD1  TYR  38           HD2      TYR  38   4.500   6.113   6.113
  227    HD2  TYR  38           HD1      TYR  38   3.444   2.453   2.453
  228    HE1  TYR  38           HE2      TYR  38   6.863   5.910   5.910
  229    HE2  TYR  38           HE1      TYR  38   5.810   2.263   2.263
  230    HH   TYR  38           HH       TYR  38   8.260   4.705   4.705
  231    HA   PRO  39           HA       PRO  39   0.634   5.339   5.339
  232   1HB   PRO  39          2HB       PRO  39  -1.511   6.200   6.200
  233   2HB   PRO  39          3HB       PRO  39  -1.313   4.539   4.539
  234   1HG   PRO  39          2HG       PRO  39  -3.124   6.617   6.617
  235   2HG   PRO  39          3HG       PRO  39  -3.203   4.879   4.879
  236   1HD   PRO  39          2HD       PRO  39  -2.286   6.799   6.799
  237   2HD   PRO  39          3HD       PRO  39  -2.258   5.054   5.054
  238    H    HIS  40           HN       HIS  40   0.373   6.901   6.901
  239    HA   HIS  40           HA       HIS  40   0.274   9.603   9.603
  240   1HB   HIS  40          2HB       HIS  40   2.568  10.292  10.292
  241   2HB   HIS  40          3HB       HIS  40   2.197   9.200   9.200
  242    HD1  HIS  40           HD1      HIS  40   3.892   9.108   9.108
  243    HD2  HIS  40           HD2      HIS  40   3.936   7.089   7.089
  244    HE1  HIS  40           HE1      HIS  40   5.810   7.431   7.431
  245    HE2  HIS  40           HE2      HIS  40   5.822   6.259   6.259
  246    H    LYS  41           HN       LYS  41   1.414  10.867  10.867
  247    HA   LYS  41           HA       LYS  41   0.524   9.836   9.836
  248   1HB   LYS  41          2HB       LYS  41   0.975  12.217  12.217
  249   2HB   LYS  41          3HB       LYS  41   2.698  11.900  11.900
  250   1HG   LYS  41          2HG       LYS  41   2.179  12.708  12.708
  251   2HG   LYS  41          3HG       LYS  41   2.474  10.988  10.988
  252   1HD   LYS  41          2HD       LYS  41   0.467  10.942  10.942
  253   2HD   LYS  41          3HD       LYS  41  -0.237  10.993  10.993
  254   1HE   LYS  41          2HE       LYS  41  -1.301  12.761  12.761
  255   2HE   LYS  41          3HE       LYS  41  -0.168  13.553  13.553
  256   1HZ   LYS  41          1HZ       LYS  41   1.385  13.224  13.224
  257   2HZ   LYS  41          2HZ       LYS  41  -0.032  13.236  13.236
  258   3HZ   LYS  41          3HZ       LYS  41   0.389  14.513  14.513
  259    H    TYR  42           HN       TYR  42   1.784   9.188   9.188
  260    HA   TYR  42           HA       TYR  42   4.377   8.020   8.020
  261   1HB   TYR  42          2HB       TYR  42   2.794   6.239   6.239
  262   2HB   TYR  42          3HB       TYR  42   1.774   6.545   6.545
  263    HD1  TYR  42           HD1      TYR  42   2.550   5.864   5.864
  264    HD2  TYR  42           HD2      TYR  42   4.686   4.773   4.773
  265    HE1  TYR  42           HE1      TYR  42   3.781   4.051   4.051
  266    HE2  TYR  42           HE2      TYR  42   5.909   2.964   2.964
  267    HH   TYR  42           HH       TYR  42   6.480   2.382   2.382
  268    H    ASN  43           HN       ASN  43   1.663   7.721   7.721
  269    HA   ASN  43           HA       ASN  43   1.551   8.471   8.471
  270   1HB   ASN  43          2HB       ASN  43   4.235   9.603   9.603
  271   2HB   ASN  43          3HB       ASN  43   3.970   9.342   9.342
  272   1HD2  ASN  43          1HD2      ASN  43   1.454  10.030  10.030
  273   2HD2  ASN  43          2HD2      ASN  43   1.006  11.600  11.600
  274    H    ASN  44           HN       ASN  44   5.016   7.994   7.994
  275    HA   ASN  44           HA       ASN  44   5.558   5.478   5.478
  276   1HB   ASN  44          2HB       ASN  44   4.664   4.364   4.364
  277   2HB   ASN  44          3HB       ASN  44   3.294   5.073   5.073
  278   1HD2  ASN  44          2HD2      ASN  44   4.434   6.260   6.260
  279   2HD2  ASN  44          1HD2      ASN  44   5.311   5.107   5.107
  280    H    TYR  45           HN       TYR  45   6.932   4.815   4.815
  281    HA   TYR  45           HA       TYR  45   7.681   6.765   6.765
  282   1HB   TYR  45          2HB       TYR  45   8.934   6.772   6.772
  283   2HB   TYR  45          3HB       TYR  45  10.083   6.848   6.848
  284    HD1  TYR  45           HD1      TYR  45   7.197   8.360   8.360
  285    HD2  TYR  45           HD2      TYR  45  10.394   9.075   9.075
  286    HE1  TYR  45           HE1      TYR  45   6.813  10.866  10.866
  287    HE2  TYR  45           HE2      TYR  45   9.999  11.578  11.578
  288    HH   TYR  45           HH       TYR  45   7.203  12.847  12.847
  289    H    GLU  46           HN       GLU  46   9.006   4.199   4.199
  290    HA   GLU  46           HA       GLU  46  10.973   3.253   3.253
  291   1HB   GLU  46          2HB       GLU  46   8.990   1.612   1.612
  292   2HB   GLU  46          3HB       GLU  46  10.549   1.032   1.032
  293   1HG   GLU  46          2HG       GLU  46  11.614   3.012   3.012
  294   2HG   GLU  46          3HG       GLU  46  10.037   3.346   3.346
  295    H    GLY  47           HN       GLY  47   7.613   3.364   3.364
  296   1HA   GLY  47          1HA       GLY  47   7.027   2.983   2.983
  297   2HA   GLY  47          2HA       GLY  47   8.102   1.599   1.599
  298    H    PHE  48           HN       PHE  48   5.481   2.737   2.737
  299    HA   PHE  48           HA       PHE  48   4.505   0.000   0.000
  300   1HB   PHE  48          2HB       PHE  48   3.864   2.614   2.614
  301   2HB   PHE  48          3HB       PHE  48   3.065   1.095   1.095
  302    HD1  PHE  48           HD2      PHE  48   4.320  -0.751  -0.751
  303    HD2  PHE  48           HD1      PHE  48   6.110   3.040   3.040
  304    HE1  PHE  48           HE2      PHE  48   6.154  -1.335  -1.335
  305    HE2  PHE  48           HE1      PHE  48   7.943   2.455   2.455
  306    HZ   PHE  48           HZ       PHE  48   7.944   0.274   0.274
  307    H    ASP  49           HN       ASP  49   2.536  -0.664  -0.664
  308    HA   ASP  49           HA       ASP  49   1.177   1.347   1.347
  309   1HB   ASP  49          2HB       ASP  49   0.432  -1.573  -1.573
  310   2HB   ASP  49          3HB       ASP  49   0.427  -0.404  -0.404
  311    H    PHE  50           HN       PHE  50   0.521   1.931   1.931
  312    HA   PHE  50           HA       PHE  50  -1.262   0.345   0.345
  313   1HB   PHE  50          2HB       PHE  50  -0.950   3.384   3.384
  314   2HB   PHE  50          3HB       PHE  50  -1.981   2.690   2.690
  315    HD1  PHE  50           HD1      PHE  50   0.505   0.388   0.388
  316    HD2  PHE  50           HD2      PHE  50  -0.054   4.447   4.447
  317    HE1  PHE  50           HE1      PHE  50   2.471   0.237   0.237
  318    HE2  PHE  50           HE2      PHE  50   1.912   4.297   4.297
  319    HZ   PHE  50           HZ       PHE  50   3.151   2.193   2.193
  320    H    SER  51           HN       SER  51  -3.119  -0.541  -0.541
  321    HA   SER  51           HA       SER  51  -4.478   0.487   0.487
  322   1HB   SER  51          2HB       SER  51  -6.246  -1.131  -1.131
  323   2HB   SER  51          3HB       SER  51  -4.659  -1.859  -1.859
  324    HG   SER  51           HG       SER  51  -5.425  -0.663  -0.663
  325    H    VAL  52           HN       VAL  52  -4.109   1.944   1.944
  326    HA   VAL  52           HA       VAL  52  -6.822   3.072   3.072
  327    HB   VAL  52           HB       VAL  52  -6.498   3.601   3.601
  328   1HG1  VAL  52          2HG1      VAL  52  -7.392   1.385   1.385
  329   2HG1  VAL  52          3HG1      VAL  52  -5.743   0.717   0.717
  330   3HG1  VAL  52          1HG1      VAL  52  -6.413   1.329   1.329
  331   1HG2  VAL  52          3HG2      VAL  52  -3.684   2.695   2.695
  332   2HG2  VAL  52          1HG2      VAL  52  -4.276   4.111   4.111
  333   3HG2  VAL  52          2HG2      VAL  52  -4.377   2.489   2.489
  334    H    SER  53           HN       SER  53  -7.026   5.396   5.396
  335    HA   SER  53           HA       SER  53  -4.818   6.714   6.714
  336   1HB   SER  53          2HB       SER  53  -7.589   7.723   7.723
  337   2HB   SER  53          3HB       SER  53  -6.420   8.645   8.645
  338    HG   SER  53           HG       SER  53  -8.091   7.449   7.449
  339    H    SER  54           HN       SER  54  -4.597   9.207   9.207
  340    HA   SER  54           HA       SER  54  -3.563   8.857   8.857
  341   1HB   SER  54          2HB       SER  54  -2.940  11.320  11.320
  342   2HB   SER  54          3HB       SER  54  -2.270  10.221  10.221
  343    HG   SER  54           HG       SER  54  -3.198  12.191  12.191
  344    HA   PRO  55           HA       PRO  55  -2.953  10.719  10.719
  345   1HB   PRO  55          2HB       PRO  55  -2.989  10.985  10.985
  346   2HB   PRO  55          3HB       PRO  55  -3.042  12.350  12.350
  347   1HG   PRO  55          2HG       PRO  55  -5.231  11.172  11.172
  348   2HG   PRO  55          3HG       PRO  55  -5.149  12.752  12.752
  349   1HD   PRO  55          2HD       PRO  55  -6.617  10.476  10.476
  350   2HD   PRO  55          3HD       PRO  55  -6.440  12.019  12.019
  351    H    TYR  56           HN       TYR  56  -1.325   9.508   9.508
  352    HA   TYR  56           HA       TYR  56  -2.441   6.802   6.802
  353   1HB   TYR  56          2HB       TYR  56   0.247   7.952   7.952
  354   2HB   TYR  56          3HB       TYR  56   0.101   6.266   6.266
  355    HD1  TYR  56           HD1      TYR  56  -2.902   6.253   6.253
  356    HD2  TYR  56           HD2      TYR  56   0.977   7.230   7.230
  357    HE1  TYR  56           HE1      TYR  56  -3.674   5.687   5.687
  358    HE2  TYR  56           HE2      TYR  56   0.192   6.659   6.659
  359    HH   TYR  56           HH       TYR  56  -2.450   6.683   6.683
  360    H    TYR  57           HN       TYR  57  -2.591   6.267   6.267
  361    HA   TYR  57           HA       TYR  57  -0.650   7.477   7.477
  362   1HB   TYR  57          2HB       TYR  57  -3.323   5.973   5.973
  363   2HB   TYR  57          3HB       TYR  57  -2.423   6.649   6.649
  364    HD1  TYR  57           HD2      TYR  57  -1.684   9.119   9.119
  365    HD2  TYR  57           HD1      TYR  57  -5.241   7.364   7.364
  366    HE1  TYR  57           HE2      TYR  57  -2.913  11.326  11.326
  367    HE2  TYR  57           HE1      TYR  57  -6.457   9.577   9.577
  368    HH   TYR  57           HH       TYR  57  -5.277  12.041  12.041
  369    H    GLU  58           HN       GLU  58   1.026   6.264   6.264
  370    HA   GLU  58           HA       GLU  58   1.029   3.482   3.482
  371   1HB   GLU  58          2HB       GLU  58   3.337   3.538   3.538
  372   2HB   GLU  58          3HB       GLU  58   3.071   4.836   4.836
  373   1HG   GLU  58          2HG       GLU  58   4.223   5.834   5.834
  374   2HG   GLU  58          3HG       GLU  58   2.558   6.366   6.366
  375    H    TRP  59           HN       TRP  59   0.965   1.729   1.729
  376    HA   TRP  59           HA       TRP  59   0.939   2.187   2.187
  377   1HB   TRP  59          2HB       TRP  59  -1.265   2.951   2.951
  378   2HB   TRP  59          3HB       TRP  59  -1.659   1.721   1.721
  379    HD1  TRP  59           HD1      TRP  59  -2.595  -0.588  -0.588
  380    HE1  TRP  59           HE1      TRP  59  -3.217  -1.581  -1.581
  381    HE3  TRP  59           HE3      TRP  59  -0.406   3.113   3.113
  382    HZ2  TRP  59           HZ2      TRP  59  -2.736  -0.726  -0.726
  383    HZ3  TRP  59           HZ3      TRP  59  -0.528   2.959   2.959
  384    HH2  TRP  59           HH2      TRP  59  -1.643   1.123   1.123
  385    HA   PRO  60           HA       PRO  60   2.167  -1.957  -1.957
  386   1HB   PRO  60          2HB       PRO  60   2.159  -2.774  -2.774
  387   2HB   PRO  60          3HB       PRO  60   3.472  -1.858  -1.858
  388   1HG   PRO  60          2HG       PRO  60   1.367  -0.937  -0.937
  389   2HG   PRO  60          3HG       PRO  60   2.900  -0.180  -0.180
  390   1HD   PRO  60          2HD       PRO  60   0.313   0.603   0.603
  391   2HD   PRO  60          3HD       PRO  60   1.856   1.285   1.285
  392    H    ILE  61           HN       ILE  61   1.438  -4.031  -4.031
  393    HA   ILE  61           HA       ILE  61  -1.390  -4.310  -4.310
  394    HB   ILE  61           HB       ILE  61  -0.734  -4.106  -4.106
  395   1HG1  ILE  61          2HG1      ILE  61  -2.290  -6.523  -6.523
  396   2HG1  ILE  61          3HG1      ILE  61  -2.918  -4.904  -4.904
  397   1HG2  ILE  61          3HG2      ILE  61   1.276  -5.677  -5.677
  398   2HG2  ILE  61          1HG2      ILE  61   0.087  -6.995  -6.995
  399   3HG2  ILE  61          2HG2      ILE  61   0.299  -5.864  -5.864
  400   1HD1  ILE  61          1HD1      ILE  61  -1.619  -5.593  -5.593
  401   2HD1  ILE  61          2HD1      ILE  61  -2.573  -7.015  -7.015
  402   3HD1  ILE  61          3HD1      ILE  61  -3.367  -5.434  -5.434
  403    H    LEU  62           HN       LEU  62  -1.725  -5.672  -5.672
  404    HA   LEU  62           HA       LEU  62   0.347  -7.580  -7.580
  405   1HB   LEU  62          2HB       LEU  62  -2.239  -6.833  -6.833
  406   2HB   LEU  62          3HB       LEU  62  -1.072  -7.984  -7.984
  407    HG   LEU  62           HG       LEU  62  -0.569  -5.033  -5.033
  408   1HD1  LEU  62          2HD1      LEU  62  -1.287  -6.637  -6.637
  409   2HD1  LEU  62          3HD1      LEU  62  -0.270  -5.184  -5.184
  410   3HD1  LEU  62          1HD1      LEU  62  -1.900  -5.059  -5.059
  411   1HD2  LEU  62          1HD2      LEU  62   1.448  -6.383  -6.383
  412   2HD2  LEU  62          2HD2      LEU  62   1.585  -5.377  -5.377
  413   3HD2  LEU  62          3HD2      LEU  62   1.254  -7.120  -7.120
  414    H    SER  63           HN       SER  63   0.379  -9.619  -9.619
  415    HA   SER  63           HA       SER  63  -1.528 -10.568 -10.568
  416   1HB   SER  63          2HB       SER  63   0.222 -12.358 -12.358
  417   2HB   SER  63          3HB       SER  63  -0.352 -12.670 -12.670
  418    HG   SER  63           HG       SER  63   1.841 -12.002 -12.002
  419    H    SER  64           HN       SER  64  -1.672 -10.210 -10.210
  420    HA   SER  64           HA       SER  64  -3.450 -12.428 -12.428
  421   1HB   SER  64          2HB       SER  64  -2.089 -10.403 -10.403
  422   2HB   SER  64          3HB       SER  64  -3.607 -11.042 -11.042
  423    HG   SER  64           HG       SER  64  -1.141 -12.401 -12.401
  424    H    GLY  65           HN       GLY  65  -3.624  -9.215  -9.215
  425   1HA   GLY  65          1HA       GLY  65  -5.429  -8.026  -8.026
  426   2HA   GLY  65          2HA       GLY  65  -6.491  -9.263  -9.263
  427    H    ASP  66           HN       ASP  66  -3.912  -7.539  -7.539
  428    HA   ASP  66           HA       ASP  66  -6.051  -6.482  -6.482
  429   1HB   ASP  66          2HB       ASP  66  -3.155  -7.226  -7.226
  430   2HB   ASP  66          3HB       ASP  66  -4.067  -6.218  -6.218
  431    H    VAL  67           HN       VAL  67  -4.672  -4.478  -4.478
  432    HA   VAL  67           HA       VAL  67  -3.870  -2.679  -2.679
  433    HB   VAL  67           HB       VAL  67  -5.197  -2.199  -2.199
  434   1HG1  VAL  67          3HG1      VAL  67  -4.046  -0.186  -0.186
  435   2HG1  VAL  67          1HG1      VAL  67  -5.194   0.223   0.223
  436   3HG1  VAL  67          2HG1      VAL  67  -3.589  -0.431  -0.431
  437   1HG2  VAL  67          2HG2      VAL  67  -6.091  -2.346  -2.346
  438   2HG2  VAL  67          3HG2      VAL  67  -7.006  -2.557  -2.557
  439   3HG2  VAL  67          1HG2      VAL  67  -6.679  -0.921  -0.921
  440    H    TYR  68           HN       TYR  68  -1.709  -2.397  -2.397
  441    HA   TYR  68           HA       TYR  68   0.200  -3.312  -3.312
  442   1HB   TYR  68          2HB       TYR  68   0.345  -2.043  -2.043
  443   2HB   TYR  68          3HB       TYR  68   0.071  -0.549  -0.549
  444    HD1  TYR  68           HD2      TYR  68   2.238  -3.390  -3.390
  445    HD2  TYR  68           HD1      TYR  68   2.084   0.618   0.618
  446    HE1  TYR  68           HE2      TYR  68   4.740  -3.146  -3.146
  447    HE2  TYR  68           HE1      TYR  68   4.587   0.848   0.848
  448    HH   TYR  68           HH       TYR  68   6.524  -0.610  -0.610
  449    H    SER  69           HN       SER  69   1.805  -2.039  -2.039
  450    HA   SER  69           HA       SER  69   0.196  -0.552  -0.552
  451   1HB   SER  69          2HB       SER  69   1.816  -1.212  -1.212
  452   2HB   SER  69          3HB       SER  69   1.349  -2.642  -2.642
  453    HG   SER  69           HG       SER  69   3.838  -1.360  -1.360
  454    H    GLY  70           HN       GLY  70   2.946  -0.422  -0.422
  455   1HA   GLY  70          1HA       GLY  70   3.373   1.923   1.923
  456   2HA   GLY  70          2HA       GLY  70   3.592   2.296   2.296
  457    H    GLY  71           HN       GLY  71   5.613   2.724   2.724
  458   1HA   GLY  71          1HA       GLY  71   7.896   2.545   2.545
  459   2HA   GLY  71          2HA       GLY  71   7.749   1.145   1.145
  460    H    SER  72           HN       SER  72   8.804  -0.535  -0.535
  461    HA   SER  72           HA       SER  72   8.613  -0.743  -0.743
  462   1HB   SER  72          2HB       SER  72  10.159  -2.850  -2.850
  463   2HB   SER  72          3HB       SER  72  10.801  -1.223  -1.223
  464    HG   SER  72           HG       SER  72  11.473  -1.662  -1.662
  465    HA   PRO  73           HA       PRO  73   5.344  -3.644  -3.644
  466   1HB   PRO  73          2HB       PRO  73   4.175  -3.492  -3.492
  467   2HB   PRO  73          3HB       PRO  73   3.757  -2.426  -2.426
  468   1HG   PRO  73          2HG       PRO  73   5.381  -1.847  -1.847
  469   2HG   PRO  73          3HG       PRO  73   4.604  -0.723  -0.723
  470   1HD   PRO  73          2HD       PRO  73   7.395  -1.376  -1.376
  471   2HD   PRO  73          3HD       PRO  73   6.601  -0.342  -0.342
  472    H    GLY  74           HN       GLY  74   7.996  -3.742  -3.742
  473   1HA   GLY  74          1HA       GLY  74   8.953  -6.046  -6.046
  474   2HA   GLY  74          2HA       GLY  74   7.422  -6.569  -6.569
  475    H    ALA  75           HN       ALA  75   7.062  -6.433  -6.433
  476    HA   ALA  75           HA       ALA  75   8.907  -4.776  -4.776
  477   1HB   ALA  75          1HB       ALA  75   8.421  -7.759  -7.759
  478   2HB   ALA  75          2HB       ALA  75   9.148  -6.734  -6.734
  479   3HB   ALA  75          3HB       ALA  75   9.969  -6.934  -6.934
  480    H    ASP  76           HN       ASP  76   5.998  -6.931  -6.931
  481    HA   ASP  76           HA       ASP  76   4.950  -6.017  -6.017
  482   1HB   ASP  76          2HB       ASP  76   3.210  -6.813  -6.813
  483   2HB   ASP  76          3HB       ASP  76   2.946  -7.139  -7.139
  484    H    ARG  77           HN       ARG  77   3.852  -4.094  -4.094
  485    HA   ARG  77           HA       ARG  77   2.697  -2.624  -2.624
  486   1HB   ARG  77          2HB       ARG  77   4.444  -1.216  -1.216
  487   2HB   ARG  77          3HB       ARG  77   3.780  -0.533  -0.533
  488   1HG   ARG  77          2HG       ARG  77   5.512  -2.948  -2.948
  489   2HG   ARG  77          3HG       ARG  77   6.332  -1.507  -1.507
  490   1HD   ARG  77          2HD       ARG  77   4.740  -0.464  -0.464
  491   2HD   ARG  77          3HD       ARG  77   5.098  -2.058  -2.058
  492    HE   ARG  77           HE       ARG  77   7.100   0.053   0.053
  493   1HH1  ARG  77           HH2      ARG  77   6.385  -3.129  -3.129
  494   2HH1  ARG  77           HH2      ARG  77   7.925  -3.297  -3.297
  495   1HH2  ARG  77           HH1      ARG  77   9.134  -0.168  -0.168
  496   2HH2  ARG  77           HH1      ARG  77   9.500  -1.600  -1.600
  497    H    VAL  78           HN       VAL  78   0.991  -1.124  -1.124
  498    HA   VAL  78           HA       VAL  78   0.183  -1.582  -1.582
  499    HB   VAL  78           HB       VAL  78  -2.160  -1.231  -1.231
  500   1HG1  VAL  78          3HG1      VAL  78  -0.437  -3.672  -3.672
  501   2HG1  VAL  78          1HG1      VAL  78  -2.105  -3.704  -3.704
  502   3HG1  VAL  78          2HG1      VAL  78  -1.804  -3.365  -3.365
  503   1HG2  VAL  78          1HG2      VAL  78  -1.435  -0.398  -0.398
  504   2HG2  VAL  78          2HG2      VAL  78  -2.486  -1.829  -1.829
  505   3HG2  VAL  78          3HG2      VAL  78  -0.727  -1.992  -1.992
  506    H    VAL  79           HN       VAL  79  -0.787   0.212   0.212
  507    HA   VAL  79           HA       VAL  79  -0.522   2.768   2.768
  508    HB   VAL  79           HB       VAL  79   0.530   2.060   2.060
  509   1HG1  VAL  79          2HG1      VAL  79  -0.599   4.302   4.302
  510   2HG1  VAL  79          3HG1      VAL  79   0.577   4.780   4.780
  511   3HG1  VAL  79          1HG1      VAL  79   1.136   4.367   4.367
  512   1HG2  VAL  79          2HG2      VAL  79   1.756   1.772   1.772
  513   2HG2  VAL  79          3HG2      VAL  79   2.593   1.972   1.972
  514   3HG2  VAL  79          1HG2      VAL  79   2.306   3.385   3.385
  515    H    PHE  80           HN       PHE  80  -2.461   3.768   3.768
  516    HA   PHE  80           HA       PHE  80  -4.205   3.279   3.279
  517   1HB   PHE  80          2HB       PHE  80  -6.072   3.367   3.367
  518   2HB   PHE  80          3HB       PHE  80  -4.916   2.153   2.153
  519    HD1  PHE  80           HD2      PHE  80  -3.088   2.971   2.971
  520    HD2  PHE  80           HD1      PHE  80  -6.764   4.979   4.979
  521    HE1  PHE  80           HE2      PHE  80  -2.887   4.102   4.102
  522    HE2  PHE  80           HE1      PHE  80  -6.563   6.109   6.109
  523    HZ   PHE  80           HZ       PHE  80  -4.627   5.657   5.657
  524    H    ASN  81           HN       ASN  81  -6.248   5.127   5.127
  525    HA   ASN  81           HA       ASN  81  -4.758   7.622   7.622
  526   1HB   ASN  81          2HB       ASN  81  -7.358   7.561   7.561
  527   2HB   ASN  81          3HB       ASN  81  -5.897   8.464   8.464
  528   1HD2  ASN  81          2HD2      ASN  81  -6.314   4.522   4.522
  529   2HD2  ASN  81          1HD2      ASN  81  -7.176   5.152   5.152
  530    H    GLU  82           HN       GLU  82  -7.051   9.349   9.349
  531    HA   GLU  82           HA       GLU  82  -8.093   8.744   8.744
  532   1HB   GLU  82          2HB       GLU  82  -7.294  10.982  10.982
  533   2HB   GLU  82          3HB       GLU  82  -8.091  11.209  11.209
  534   1HG   GLU  82          2HG       GLU  82 -10.227  11.459  11.459
  535   2HG   GLU  82          3HG       GLU  82  -9.780  10.588  10.588
  536    H    ASN  83           HN       ASN  83  -8.908   7.610   7.610
  537    HA   ASN  83           HA       ASN  83 -11.717   8.275   8.275
  538   1HB   ASN  83          2HB       ASN  83 -11.340   6.428   6.428
  539   2HB   ASN  83          3HB       ASN  83 -11.465   8.167   8.167
  540   1HD2  ASN  83          2HD2      ASN  83  -7.919   6.173   6.173
  541   2HD2  ASN  83          1HD2      ASN  83  -9.394   5.408   5.408
  542    H    ASN  84           HN       ASN  84  -9.337   5.772   5.772
  543    HA   ASN  84           HA       ASN  84  -9.900   4.150   4.150
  544   1HB   ASN  84          2HB       ASN  84 -12.023   3.064   3.064
  545   2HB   ASN  84          3HB       ASN  84 -12.434   4.716   4.716
  546   1HD2  ASN  84          2HD2      ASN  84 -12.412   3.489   3.489
  547   2HD2  ASN  84          1HD2      ASN  84 -11.234   4.350   4.350
  548    H    GLN  85           HN       GLN  85  -8.802   4.496   4.496
  549    HA   GLN  85           HA       GLN  85  -9.046   1.722   1.722
  550   1HB   GLN  85          2HB       GLN  85  -8.095   4.172   4.172
  551   2HB   GLN  85          3HB       GLN  85  -8.176   2.547   2.547
  552   1HG   GLN  85          2HG       GLN  85 -10.603   2.475   2.475
  553   2HG   GLN  85          3HG       GLN  85 -10.600   3.976   3.976
  554   1HE2  GLN  85          2HE2      GLN  85  -9.760   6.040   6.040
  555   2HE2  GLN  85          1HE2      GLN  85  -9.275   5.770   5.770
  556    H    LEU  86           HN       LEU  86  -7.417   0.428   0.428
  557    HA   LEU  86           HA       LEU  86  -4.802   1.680   1.680
  558   1HB   LEU  86          2HB       LEU  86  -5.831   0.647   0.647
  559   2HB   LEU  86          3HB       LEU  86  -5.985  -0.875  -0.875
  560    HG   LEU  86           HG       LEU  86  -3.302  -0.444  -0.444
  561   1HD1  LEU  86          1HD1      LEU  86  -4.243   1.235   1.235
  562   2HD1  LEU  86          2HD1      LEU  86  -2.962   0.088   0.088
  563   3HD1  LEU  86          3HD1      LEU  86  -2.691   1.236   1.236
  564   1HD2  LEU  86          2HD2      LEU  86  -5.072  -2.162  -2.162
  565   2HD2  LEU  86          3HD2      LEU  86  -3.454  -2.499  -2.499
  566   3HD2  LEU  86          1HD2      LEU  86  -3.622  -1.805  -1.805
  567    H    ALA  87           HN       ALA  87  -2.920   0.818   0.818
  568    HA   ALA  87           HA       ALA  87  -3.223  -1.467  -1.467
  569   1HB   ALA  87          1HB       ALA  87  -2.648   1.352   1.352
  570   2HB   ALA  87          2HB       ALA  87  -2.219  -0.100  -0.100
  571   3HB   ALA  87          3HB       ALA  87  -3.923   0.237   0.237
  572    H    GLY  88           HN       GLY  88  -1.182   1.260   1.260
  573   1HA   GLY  88          1HA       GLY  88   1.323   0.491   0.491
  574   2HA   GLY  88          2HA       GLY  88   0.851   1.161   1.161
  575    H    VAL  89           HN       VAL  89   0.417  -2.033  -2.033
  576    HA   VAL  89           HA       VAL  89   0.770  -3.401  -3.401
  577    HB   VAL  89           HB       VAL  89  -0.086  -4.034  -4.034
  578   1HG1  VAL  89          1HG1      VAL  89   1.352  -6.016  -6.016
  579   2HG1  VAL  89          2HG1      VAL  89   0.122  -6.534  -6.534
  580   3HG1  VAL  89          3HG1      VAL  89   1.585  -5.687  -5.687
  581   1HG2  VAL  89          1HG2      VAL  89  -1.136  -4.096  -4.096
  582   2HG2  VAL  89          2HG2      VAL  89  -1.997  -4.141  -4.141
  583   3HG2  VAL  89          3HG2      VAL  89  -1.397  -5.650  -5.650
  584    H    ILE  90           HN       ILE  90   3.014  -1.751  -1.751
  585    HA   ILE  90           HA       ILE  90   4.978  -3.313  -3.313
  586    HB   ILE  90           HB       ILE  90   6.455  -1.584  -1.584
  587   1HG1  ILE  90          2HG1      ILE  90   5.387  -1.661  -1.661
  588   2HG1  ILE  90          3HG1      ILE  90   6.627  -0.563  -0.563
  589   1HG2  ILE  90          3HG2      ILE  90   4.431  -1.022  -1.022
  590   2HG2  ILE  90          1HG2      ILE  90   3.807  -0.134  -0.134
  591   3HG2  ILE  90          2HG2      ILE  90   5.354   0.345   0.345
  592   1HD1  ILE  90          3HD1      ILE  90   4.840   1.058   1.058
  593   2HD1  ILE  90          1HD1      ILE  90   3.619  -0.044  -0.044
  594   3HD1  ILE  90          2HD1      ILE  90   4.818   0.723   0.723
  595    H    THR  91           HN       THR  91   7.166  -3.754  -3.754
  596    HA   THR  91           HA       THR  91   6.863  -4.558  -4.558
  597    HB   THR  91           HB       THR  91   5.700  -6.491  -6.491
  598    HG1  THR  91           HG1      THR  91   7.358  -7.868  -7.868
  599   1HG2  THR  91          1HG2      THR  91   7.415  -6.610  -6.610
  600   2HG2  THR  91          2HG2      THR  91   6.080  -7.711  -7.711
  601   3HG2  THR  91          3HG2      THR  91   5.744  -6.002  -6.002
  602    H    HIS  92           HN       HIS  92   8.857  -5.332  -5.332
  603    HA   HIS  92           HA       HIS  92  11.078  -4.148  -4.148
  604   1HB   HIS  92          2HB       HIS  92  10.622  -5.505  -5.505
  605   2HB   HIS  92          3HB       HIS  92  12.258  -5.207  -5.207
  606    HD1  HIS  92           HD1      HIS  92  12.856  -3.382  -3.382
  607    HD2  HIS  92           HD2      HIS  92   9.372  -2.542  -2.542
  608    HE1  HIS  92           HE1      HIS  92  12.247  -0.962  -0.962
  609    HE2  HIS  92           HE2      HIS  92  10.129  -0.487  -0.487
  610    H    THR  93           HN       THR  93   9.540  -6.759  -6.759
  611    HA   THR  93           HA       THR  93  11.215  -8.938  -8.938
  612    HB   THR  93           HB       THR  93   9.118  -7.893  -7.893
  613    HG1  THR  93           HG1      THR  93   8.102  -9.527  -9.527
  614   1HG2  THR  93          1HG2      THR  93  11.238  -9.857  -9.857
  615   2HG2  THR  93          2HG2      THR  93   9.581 -10.490 -10.490
  616   3HG2  THR  93          3HG2      THR  93  10.062  -9.031  -9.031
  617    H    GLY  94           HN       GLY  94  13.410  -8.338  -8.338
  618   1HA   GLY  94          1HA       GLY  94  15.350  -7.527  -7.527
  619   2HA   GLY  94          2HA       GLY  94  14.943  -8.754  -8.754
  620    H    ALA  95           HN       ALA  95  13.286  -5.599  -5.599
  621    HA   ALA  95           HA       ALA  95  13.034  -5.001  -5.001
  622   1HB   ALA  95          2HB       ALA  95  12.640  -3.625  -3.625
  623   2HB   ALA  95          3HB       ALA  95  12.779  -2.585  -2.585
  624   3HB   ALA  95          1HB       ALA  95  11.514  -3.835  -3.835
  625    H    SER  96           HN       SER  96  15.814  -5.102  -5.102
  626    HA   SER  96           HA       SER  96  17.873  -4.769  -4.769
  627   1HB   SER  96          2HB       SER  96  16.758  -3.910  -3.910
  628   2HB   SER  96          3HB       SER  96  16.886  -2.307  -2.307
  629    HG   SER  96           HG       SER  96  19.294  -3.565  -3.565
  630    H    GLY  97           HN       GLY  97  16.877  -4.067  -4.067
  631   1HA   GLY  97          1HA       GLY  97  18.301  -2.773  -2.773
  632   2HA   GLY  97          2HA       GLY  97  18.059  -1.393  -1.393
  633    H    ASN  98           HN       ASN  98  16.800   0.059   0.059
  634    HA   ASN  98           HA       ASN  98  14.652  -1.002  -1.002
  635   1HB   ASN  98          2HB       ASN  98  16.053   0.728   0.728
  636   2HB   ASN  98          3HB       ASN  98  15.834   1.802   1.802
  637   1HD2  ASN  98          2HD2      ASN  98  12.305   1.005   1.005
  638   2HD2  ASN  98          1HD2      ASN  98  13.312  -0.244  -0.244
  639    H    ASN  99           HN       ASN  99  14.941  -0.613  -0.613
  640    HA   ASN  99           HA       ASN  99  13.028   1.345   1.345
  641   1HB   ASN  99          2HB       ASN  99  13.075  -0.349  -0.349
  642   2HB   ASN  99          3HB       ASN  99  14.211   0.958   0.958
  643   1HD2  ASN  99          2HD2      ASN  99  15.407  -2.749  -2.749
  644   2HD2  ASN  99          1HD2      ASN  99  13.837  -2.100  -2.100
  645    H    PHE 100           HN       PHE 100  10.965   0.639   0.639
  646    HA   PHE 100           HA       PHE 100   9.786  -1.722  -1.722
  647   1HB   PHE 100          2HB       PHE 100   8.797   1.087   1.087
  648   2HB   PHE 100          3HB       PHE 100   7.631  -0.216  -0.216
  649    HD1  PHE 100           HD2      PHE 100   8.214  -1.761  -1.761
  650    HD2  PHE 100           HD1      PHE 100   8.845   2.407   2.407
  651    HE1  PHE 100           HE2      PHE 100   8.104  -1.456  -1.456
  652    HE2  PHE 100           HE1      PHE 100   8.734   2.712   2.712
  653    HZ   PHE 100           HZ       PHE 100   8.365   0.777   0.777
  654    H    VAL 101           HN       VAL 101   7.872  -2.632  -2.632
  655    HA   VAL 101           HA       VAL 101   7.793  -2.042  -2.042
  656    HB   VAL 101           HB       VAL 101   8.600  -4.221  -4.221
  657   1HG1  VAL 101          3HG1      VAL 101  10.075  -2.171  -2.171
  658   2HG1  VAL 101          1HG1      VAL 101  10.759  -2.840  -2.840
  659   3HG1  VAL 101          2HG1      VAL 101  10.936  -3.729  -3.729
  660   1HG2  VAL 101          1HG2      VAL 101   9.455  -4.618  -4.618
  661   2HG2  VAL 101          2HG2      VAL 101   8.257  -5.574  -5.574
  662   3HG2  VAL 101          3HG2      VAL 101   9.976  -5.633  -5.633
  663    H    GLU 102           HN       GLU 102   5.719  -2.406  -2.406
  664    HA   GLU 102           HA       GLU 102   3.851  -3.325  -3.325
  665   1HB   GLU 102          2HB       GLU 102   2.568  -3.796  -3.796
  666   2HB   GLU 102          3HB       GLU 102   2.866  -2.172  -2.172
  667   1HG   GLU 102          2HG       GLU 102   4.708  -1.835  -1.835
  668   2HG   GLU 102          3HG       GLU 102   4.935  -3.552  -3.552
  669    H    CYS 103           HN       CYS 103   3.307  -5.316  -5.316
  670    HA   CYS 103           HA       CYS 103   4.722  -7.570  -7.570
  671   1HB   CYS 103          2HB       CYS 103   1.859  -7.335  -7.335
  672   2HB   CYS 103          3HB       CYS 103   2.802  -8.811  -8.811
  673    H    THR 104           HN       THR 104   3.448  -9.724  -9.724
  674    HA   THR 104           HA       THR 104   2.509  -9.002  -9.002
  675    HB   THR 104           HB       THR 104   3.412 -11.236 -11.236
  676    HG1  THR 104           HG1      THR 104   4.660 -12.184 -12.184
  677   1HG2  THR 104          2HG2      THR 104   5.063  -9.283  -9.283
  678   2HG2  THR 104          3HG2      THR 104   5.430  -9.849  -9.849
  679   3HG2  THR 104          1HG2      THR 104   5.789 -10.889 -10.889

  Start of MODEL   29
    1    H    ALA   1           HN       ALA   1  -9.807 -14.169 -14.169
    2    HA   ALA   1           HA       ALA   1  -8.223 -16.010 -16.010
    3   1HB   ALA   1          1HB       ALA   1 -10.448 -14.271 -14.271
    4   2HB   ALA   1          2HB       ALA   1  -9.064 -13.660 -13.660
    5   3HB   ALA   1          3HB       ALA   1  -9.612 -15.340 -15.340
    6    H    CYS   2           HN       CYS   2  -6.501 -15.290 -15.290
    7    HA   CYS   2           HA       CYS   2  -5.400 -12.920 -12.920
    8   1HB   CYS   2          2HB       CYS   2  -3.183 -14.562 -14.562
    9   2HB   CYS   2          3HB       CYS   2  -3.845 -14.146 -14.146
   10    H    ASP   3           HN       ASP   3  -4.427 -11.324 -11.324
   11    HA   ASP   3           HA       ASP   3  -3.749 -12.098 -12.098
   12   1HB   ASP   3          2HB       ASP   3  -5.564  -9.945  -9.945
   13   2HB   ASP   3          3HB       ASP   3  -4.451  -9.444  -9.444
   14    H    TYR   4           HN       TYR   4  -2.777 -10.929 -10.929
   15    HA   TYR   4           HA       TYR   4  -0.463  -9.585  -9.585
   16   1HB   TYR   4          2HB       TYR   4  -2.239  -8.734  -8.734
   17   2HB   TYR   4          3HB       TYR   4  -0.723  -7.949  -7.949
   18    HD1  TYR   4           HD2      TYR   4  -0.532  -6.950  -6.950
   19    HD2  TYR   4           HD1      TYR   4  -4.234  -7.915  -7.915
   20    HE1  TYR   4           HE2      TYR   4  -1.761  -5.374  -5.374
   21    HE2  TYR   4           HE1      TYR   4  -5.452  -6.334  -6.334
   22    HH   TYR   4           HH       TYR   4  -3.731  -4.161  -4.161
   23    H    THR   5           HN       THR   5   0.787 -11.485 -11.485
   24    HA   THR   5           HA       THR   5   0.976 -12.292 -12.292
   25    HB   THR   5           HB       THR   5   1.754 -13.565 -13.565
   26    HG1  THR   5           HG1      THR   5   0.220 -15.158 -15.158
   27   1HG2  THR   5          2HG2      THR   5   2.895 -14.033 -14.033
   28   2HG2  THR   5          3HG2      THR   5   1.932 -15.439 -15.439
   29   3HG2  THR   5          1HG2      THR   5   3.270 -14.858 -14.858
   30    H    CYS   6           HN       CYS   6   2.315 -10.984 -10.984
   31    HA   CYS   6           HA       CYS   6   4.612  -9.878  -9.878
   32   1HB   CYS   6          2HB       CYS   6   3.375  -9.644  -9.644
   33   2HB   CYS   6          3HB       CYS   6   5.037  -9.139  -9.139
   34    H    GLY   7           HN       GLY   7   5.248 -12.292 -12.292
   35   1HA   GLY   7          1HA       GLY   7   6.863 -13.844 -13.844
   36   2HA   GLY   7          2HA       GLY   7   7.416 -12.995 -12.995
   37    H    SER   8           HN       SER   8   5.400 -13.056 -13.056
   38    HA   SER   8           HA       SER   8   4.568 -15.842 -15.842
   39   1HB   SER   8          2HB       SER   8   5.386 -16.173 -16.173
   40   2HB   SER   8          3HB       SER   8   6.674 -15.253 -15.253
   41    HG   SER   8           HG       SER   8   5.500 -14.624 -14.624
   42    H    ASN   9           HN       ASN   9   2.757 -14.130 -14.130
   43    HA   ASN   9           HA       ASN   9   1.051 -13.708 -13.708
   44   1HB   ASN   9          2HB       ASN   9   1.382 -11.658 -11.658
   45   2HB   ASN   9          3HB       ASN   9   0.322 -11.497 -11.497
   46   1HD2  ASN   9          2HD2      ASN   9   4.442 -11.281 -11.281
   47   2HD2  ASN   9          1HD2      ASN   9   3.727 -12.260 -12.260
   48    H    CYS  10           HN       CYS  10  -1.240 -12.772 -12.772
   49    HA   CYS  10           HA       CYS  10  -1.748 -13.758 -13.758
   50   1HB   CYS  10          2HB       CYS  10  -1.467 -15.890 -15.890
   51   2HB   CYS  10          3HB       CYS  10  -3.178 -15.570 -15.570
   52    H    TYR  11           HN       TYR  11  -2.369 -11.369 -11.369
   53    HA   TYR  11           HA       TYR  11  -5.189 -11.483 -11.483
   54   1HB   TYR  11          2HB       TYR  11  -4.387  -9.067  -9.067
   55   2HB   TYR  11          3HB       TYR  11  -4.161 -10.507 -10.507
   56    HD1  TYR  11           HD2      TYR  11  -2.198  -9.419  -9.419
   57    HD2  TYR  11           HD1      TYR  11  -2.224 -10.031 -10.031
   58    HE1  TYR  11           HE2      TYR  11   0.303  -8.972  -8.972
   59    HE2  TYR  11           HE1      TYR  11   0.277  -9.583  -9.583
   60    HH   TYR  11           HH       TYR  11   1.901  -8.060  -8.060
   61    H    SER  12           HN       SER  12  -6.066 -11.229 -11.229
   62    HA   SER  12           HA       SER  12  -4.970  -9.555  -9.555
   63   1HB   SER  12          2HB       SER  12  -7.277  -9.743  -9.743
   64   2HB   SER  12          3HB       SER  12  -6.491 -11.266 -11.266
   65    HG   SER  12           HG       SER  12  -8.863 -10.224 -10.224
   66    H    SER  13           HN       SER  13  -6.783  -7.783  -7.783
   67    HA   SER  13           HA       SER  13  -6.480  -5.590  -5.590
   68   1HB   SER  13          2HB       SER  13  -8.427  -4.659  -4.659
   69   2HB   SER  13          3HB       SER  13  -6.937  -5.148  -5.148
   70    HG   SER  13           HG       SER  13  -8.023  -6.619  -6.619
   71    H    SER  14           HN       SER  14  -8.667  -8.237  -8.237
   72    HA   SER  14           HA       SER  14 -10.703  -6.715  -6.715
   73   1HB   SER  14          2HB       SER  14 -11.182  -8.803  -8.803
   74   2HB   SER  14          3HB       SER  14 -10.265  -9.732  -9.732
   75    HG   SER  14           HG       SER  14 -11.913  -9.680  -9.680
   76    H    ASP  15           HN       ASP  15  -7.763  -8.511  -8.511
   77    HA   ASP  15           HA       ASP  15  -8.457  -8.670  -8.670
   78   1HB   ASP  15          2HB       ASP  15  -6.160  -9.470  -9.470
   79   2HB   ASP  15          3HB       ASP  15  -5.759  -9.154  -9.154
   80    H    VAL  16           HN       VAL  16  -6.367  -6.727  -6.727
   81    HA   VAL  16           HA       VAL  16  -4.928  -5.314  -5.314
   82    HB   VAL  16           HB       VAL  16  -5.921  -4.518  -4.518
   83   1HG1  VAL  16          1HG1      VAL  16  -4.460  -3.000  -3.000
   84   2HG1  VAL  16          2HG1      VAL  16  -3.495  -3.216  -3.216
   85   3HG1  VAL  16          3HG1      VAL  16  -5.113  -2.479  -2.479
   86   1HG2  VAL  16          2HG2      VAL  16  -3.396  -5.880  -5.880
   87   2HG2  VAL  16          3HG2      VAL  16  -4.599  -6.487  -6.487
   88   3HG2  VAL  16          1HG2      VAL  16  -3.538  -5.130  -5.130
   89    H    SER  17           HN       SER  17  -8.142  -4.597  -4.597
   90    HA   SER  17           HA       SER  17  -8.694  -2.197  -2.197
   91   1HB   SER  17          2HB       SER  17 -10.301  -3.674  -3.674
   92   2HB   SER  17          3HB       SER  17 -10.542  -4.609  -4.609
   93    HG   SER  17           HG       SER  17 -12.184  -3.213  -3.213
   94    H    THR  18           HN       THR  18  -9.053  -5.187  -5.187
   95    HA   THR  18           HA       THR  18  -9.911  -4.003  -4.003
   96    HB   THR  18           HB       THR  18  -8.350  -6.472  -6.472
   97    HG1  THR  18           HG1      THR  18 -10.810  -5.909  -5.909
   98   1HG2  THR  18          2HG2      THR  18  -8.319  -5.210  -5.210
   99   2HG2  THR  18          3HG2      THR  18  -9.023  -6.845  -6.845
  100   3HG2  THR  18          1HG2      THR  18  -7.369  -6.585  -6.585
  101    H    ALA  19           HN       ALA  19  -6.479  -4.530  -4.530
  102    HA   ALA  19           HA       ALA  19  -5.353  -3.362  -3.362
  103   1HB   ALA  19          3HB       ALA  19  -4.174  -4.777  -4.777
  104   2HB   ALA  19          1HB       ALA  19  -4.298  -3.452  -3.452
  105   3HB   ALA  19          2HB       ALA  19  -3.331  -3.238  -3.238
  106    H    GLN  20           HN       GLN  20  -6.489  -1.970  -1.970
  107    HA   GLN  20           HA       GLN  20  -5.474   0.563   0.563
  108   1HB   GLN  20          2HB       GLN  20  -8.048  -0.096  -0.096
  109   2HB   GLN  20          3HB       GLN  20  -6.982   1.266   1.266
  110   1HG   GLN  20          2HG       GLN  20  -5.271  -0.101  -0.101
  111   2HG   GLN  20          3HG       GLN  20  -5.915  -1.566  -1.566
  112   1HE2  GLN  20          2HE2      GLN  20  -8.020   0.134   0.134
  113   2HE2  GLN  20          1HE2      GLN  20  -7.305   1.103   1.103
  114    H    ALA  21           HN       ALA  21  -8.823  -0.726  -0.726
  115    HA   ALA  21           HA       ALA  21 -10.105   1.386   1.386
  116   1HB   ALA  21          1HB       ALA  21  -9.981  -1.480  -1.480
  117   2HB   ALA  21          2HB       ALA  21 -11.045  -0.311  -0.311
  118   3HB   ALA  21          3HB       ALA  21 -11.262  -0.650  -0.650
  119    H    ALA  22           HN       ALA  22  -7.411  -0.324  -0.324
  120    HA   ALA  22           HA       ALA  22  -7.702   1.116   1.116
  121   1HB   ALA  22          3HB       ALA  22  -6.602  -1.190  -1.190
  122   2HB   ALA  22          1HB       ALA  22  -5.184  -0.248  -0.248
  123   3HB   ALA  22          2HB       ALA  22  -5.796  -0.094  -0.094
  124    H    GLY  23           HN       GLY  23  -5.364   1.270   1.270
  125   1HA   GLY  23          1HA       GLY  23  -3.865   3.422   3.422
  126   2HA   GLY  23          2HA       GLY  23  -4.177   2.992   2.992
  127    H    TYR  24           HN       TYR  24  -7.019   3.377   3.377
  128    HA   TYR  24           HA       TYR  24  -7.090   6.174   6.174
  129   1HB   TYR  24          2HB       TYR  24  -8.364   4.395   4.395
  130   2HB   TYR  24          3HB       TYR  24  -9.216   3.948   3.948
  131    HD1  TYR  24           HD1      TYR  24  -8.507   7.439   7.439
  132    HD2  TYR  24           HD2      TYR  24 -11.449   4.352   4.352
  133    HE1  TYR  24           HE1      TYR  24 -10.339   9.114   9.114
  134    HE2  TYR  24           HE2      TYR  24 -13.271   6.035   6.035
  135    HH   TYR  24           HH       TYR  24 -12.440   9.399   9.399
  136    H    LYS  25           HN       LYS  25  -9.182   4.095   4.095
  137    HA   LYS  25           HA       LYS  25 -10.496   5.904   5.904
  138   1HB   LYS  25          2HB       LYS  25 -10.976   3.806   3.806
  139   2HB   LYS  25          3HB       LYS  25  -9.306   3.278   3.278
  140   1HG   LYS  25          2HG       LYS  25 -10.134   5.360   5.360
  141   2HG   LYS  25          3HG       LYS  25 -10.569   3.686   3.686
  142   1HD   LYS  25          2HD       LYS  25  -7.848   3.609   3.609
  143   2HD   LYS  25          3HD       LYS  25  -7.959   4.984   4.984
  144   1HE   LYS  25          2HE       LYS  25  -7.465   3.006   3.006
  145   2HE   LYS  25          3HE       LYS  25  -9.101   3.515   3.515
  146   1HZ   LYS  25          3HZ       LYS  25  -9.008   1.713   1.713
  147   2HZ   LYS  25          1HZ       LYS  25  -8.361   1.060   1.060
  148   3HZ   LYS  25          2HZ       LYS  25  -9.890   1.633   1.633
  149    H    LEU  26           HN       LEU  26  -7.128   4.891   4.891
  150    HA   LEU  26           HA       LEU  26  -6.873   6.873   6.873
  151   1HB   LEU  26          2HB       LEU  26  -5.532   4.889   4.889
  152   2HB   LEU  26          3HB       LEU  26  -4.854   5.256   5.256
  153    HG   LEU  26           HG       LEU  26  -4.109   7.483   7.483
  154   1HD1  LEU  26          1HD1      LEU  26  -5.125   6.508   6.508
  155   2HD1  LEU  26          2HD1      LEU  26  -3.852   5.265   5.265
  156   3HD1  LEU  26          3HD1      LEU  26  -3.414   6.982   6.982
  157   1HD2  LEU  26          1HD2      LEU  26  -2.863   5.012   5.012
  158   2HD2  LEU  26          2HD2      LEU  26  -2.271   6.689   6.689
  159   3HD2  LEU  26          3HD2      LEU  26  -2.019   5.721   5.721
  160    H    HIS  27           HN       HIS  27  -6.197   6.791   6.791
  161    HA   HIS  27           HA       HIS  27  -4.782   9.197   9.197
  162   1HB   HIS  27          2HB       HIS  27  -4.592   7.714   7.714
  163   2HB   HIS  27          3HB       HIS  27  -6.328   7.607   7.607
  164    HD1  HIS  27           HD1      HIS  27  -3.805  10.514  10.514
  165    HD2  HIS  27           HD2      HIS  27  -7.075   9.027   9.027
  166    HE1  HIS  27           HE1      HIS  27  -4.154  12.114  12.114
  167    HE2  HIS  27           HE2      HIS  27  -6.141  11.119  11.119
  168    H    GLU  28           HN       GLU  28  -8.290   8.416   8.416
  169    HA   GLU  28           HA       GLU  28  -9.068  10.993  10.993
  170   1HB   GLU  28          2HB       GLU  28 -11.114   9.586   9.586
  171   2HB   GLU  28          3HB       GLU  28 -11.086   9.987   9.987
  172   1HG   GLU  28          2HG       GLU  28  -9.546   7.989   7.989
  173   2HG   GLU  28          3HG       GLU  28  -9.786   7.555   7.555
  174    H    ASP  29           HN       ASP  29  -8.216   9.445   9.445
  175    HA   ASP  29           HA       ASP  29  -9.446  11.524  11.524
  176   1HB   ASP  29          2HB       ASP  29  -7.845   9.027   9.027
  177   2HB   ASP  29          3HB       ASP  29  -7.957  10.249  10.249
  178    H    GLY  30           HN       GLY  30  -6.480  10.901  10.901
  179   1HA   GLY  30          1HA       GLY  30  -4.651  12.206  12.206
  180   2HA   GLY  30          2HA       GLY  30  -5.311  13.365  13.365
  181    H    GLU  31           HN       GLU  31  -5.120   9.974   9.974
  182    HA   GLU  31           HA       GLU  31  -3.044  10.764  10.764
  183   1HB   GLU  31          2HB       GLU  31  -5.093   8.516   8.516
  184   2HB   GLU  31          3HB       GLU  31  -3.764   8.561   8.561
  185   1HG   GLU  31          2HG       GLU  31  -5.716  10.879  10.879
  186   2HG   GLU  31          3HG       GLU  31  -5.954   9.612   9.612
  187    H    THR  32           HN       THR  32  -1.713   8.555   8.555
  188    HA   THR  32           HA       THR  32  -0.834   7.314   7.314
  189    HB   THR  32           HB       THR  32   1.511   7.528   7.528
  190    HG1  THR  32           HG1      THR  32   1.638   8.798   8.798
  191   1HG2  THR  32          1HG2      THR  32  -0.082  10.126  10.126
  192   2HG2  THR  32          2HG2      THR  32   1.694  10.045  10.045
  193   3HG2  THR  32          3HG2      THR  32   0.831   9.288   9.288
  194    H    VAL  33           HN       VAL  33   0.905   5.463   5.463
  195    HA   VAL  33           HA       VAL  33  -0.409   4.012   4.012
  196    HB   VAL  33           HB       VAL  33  -0.594   2.032   2.032
  197   1HG1  VAL  33          2HG1      VAL  33  -2.151   4.180   4.180
  198   2HG1  VAL  33          3HG1      VAL  33  -1.548   3.876   3.876
  199   3HG1  VAL  33          1HG1      VAL  33  -2.410   2.593   2.593
  200   1HG2  VAL  33          1HG2      VAL  33   1.530   2.244   2.244
  201   2HG2  VAL  33          2HG2      VAL  33   0.170   1.779   1.779
  202   3HG2  VAL  33          3HG2      VAL  33   0.770   3.455   3.455
  203    H    GLY  34           HN       GLY  34   1.054   3.257   3.257
  204   1HA   GLY  34          1HA       GLY  34   2.998   2.373   2.373
  205   2HA   GLY  34          2HA       GLY  34   3.646   2.335   2.335
  206    H    SER  35           HN       SER  35   5.668   3.279   3.279
  207    HA   SER  35           HA       SER  35   5.608   5.869   5.869
  208   1HB   SER  35          2HB       SER  35   8.024   5.616   5.616
  209   2HB   SER  35          3HB       SER  35   7.241   4.148   4.148
  210    HG   SER  35           HG       SER  35   7.722   3.169   3.169
  211    H    ASN  36           HN       ASN  36   5.585   4.429   4.429
  212    HA   ASN  36           HA       ASN  36   7.185   6.383   6.383
  213   1HB   ASN  36          2HB       ASN  36   5.628   3.970   3.970
  214   2HB   ASN  36          3HB       ASN  36   5.517   5.230   5.230
  215   1HD2  ASN  36          2HD2      ASN  36   8.386   3.409   3.409
  216   2HD2  ASN  36          1HD2      ASN  36   6.654   3.399   3.399
  217    H    SER  37           HN       SER  37   5.555   7.019   7.019
  218    HA   SER  37           HA       SER  37   3.359   8.477   8.477
  219   1HB   SER  37          2HB       SER  37   3.917  10.456  10.456
  220   2HB   SER  37          3HB       SER  37   5.501   9.811   9.811
  221    HG   SER  37           HG       SER  37   5.909   9.465   9.465
  222    H    TYR  38           HN       TYR  38   2.920   5.946   5.946
  223    HA   TYR  38           HA       TYR  38   2.006   6.347   6.347
  224   1HB   TYR  38          2HB       TYR  38   2.313   3.980   3.980
  225   2HB   TYR  38          3HB       TYR  38   1.626   3.784   3.784
  226    HD1  TYR  38           HD2      TYR  38   4.551   5.889   5.889
  227    HD2  TYR  38           HD1      TYR  38   3.190   2.416   2.416
  228    HE1  TYR  38           HE2      TYR  38   6.878   5.550   5.550
  229    HE2  TYR  38           HE1      TYR  38   5.522   2.090   2.090
  230    HH   TYR  38           HH       TYR  38   8.050   4.483   4.483
  231    HA   PRO  39           HA       PRO  39   0.751   5.307   5.307
  232   1HB   PRO  39          2HB       PRO  39  -1.250   6.204   6.204
  233   2HB   PRO  39          3HB       PRO  39  -1.156   4.555   4.555
  234   1HG   PRO  39          2HG       PRO  39  -2.953   6.731   6.731
  235   2HG   PRO  39          3HG       PRO  39  -3.117   5.004   5.004
  236   1HD   PRO  39          2HD       PRO  39  -2.263   6.945   6.945
  237   2HD   PRO  39          3HD       PRO  39  -2.315   5.207   5.207
  238    H    HIS  40           HN       HIS  40   0.751   6.795   6.795
  239    HA   HIS  40           HA       HIS  40   0.716   9.521   9.521
  240   1HB   HIS  40          2HB       HIS  40   3.025  10.113  10.113
  241   2HB   HIS  40          3HB       HIS  40   2.518   9.082   9.082
  242    HD1  HIS  40           HD1      HIS  40   4.589   8.972   8.972
  243    HD2  HIS  40           HD2      HIS  40   3.970   6.734   6.734
  244    HE1  HIS  40           HE1      HIS  40   6.385   7.159   7.159
  245    HE2  HIS  40           HE2      HIS  40   5.988   5.851   5.851
  246    H    LYS  41           HN       LYS  41   1.793  10.711  10.711
  247    HA   LYS  41           HA       LYS  41   1.069   9.719   9.719
  248   1HB   LYS  41          2HB       LYS  41   1.629  11.979  11.979
  249   2HB   LYS  41          3HB       LYS  41   3.193  11.685  11.685
  250   1HG   LYS  41          2HG       LYS  41   3.959  10.583  10.583
  251   2HG   LYS  41          3HG       LYS  41   2.406  10.948  10.948
  252   1HD   LYS  41          2HD       LYS  41   3.106  13.038  13.038
  253   2HD   LYS  41          3HD       LYS  41   3.417  13.386  13.386
  254   1HE   LYS  41          2HE       LYS  41   5.514  11.642  11.642
  255   2HE   LYS  41          3HE       LYS  41   5.337  13.019  13.019
  256   1HZ   LYS  41          3HZ       LYS  41   5.206  13.868  13.868
  257   2HZ   LYS  41          1HZ       LYS  41   6.556  12.974  12.974
  258   3HZ   LYS  41          2HZ       LYS  41   6.288  14.281  14.281
  259    H    TYR  42           HN       TYR  42   2.416   8.971   8.971
  260    HA   TYR  42           HA       TYR  42   4.758   7.430   7.430
  261   1HB   TYR  42          2HB       TYR  42   2.970   5.814   5.814
  262   2HB   TYR  42          3HB       TYR  42   2.029   6.427   6.427
  263    HD1  TYR  42           HD1      TYR  42   2.557   5.767   5.767
  264    HD2  TYR  42           HD2      TYR  42   4.782   4.218   4.218
  265    HE1  TYR  42           HE1      TYR  42   3.512   3.940   3.940
  266    HE2  TYR  42           HE2      TYR  42   5.730   2.397   2.397
  267    HH   TYR  42           HH       TYR  42   4.523   1.923   1.923
  268    H    ASN  43           HN       ASN  43   3.555   9.735   9.735
  269    HA   ASN  43           HA       ASN  43   3.390   9.731   9.731
  270   1HB   ASN  43          2HB       ASN  43   5.730  10.816  10.816
  271   2HB   ASN  43          3HB       ASN  43   5.996  10.703  10.703
  272   1HD2  ASN  43          2HD2      ASN  43   2.533  12.731  12.731
  273   2HD2  ASN  43          1HD2      ASN  43   2.855  11.121  11.121
  274    H    ASN  44           HN       ASN  44   3.381   7.531   7.531
  275    HA   ASN  44           HA       ASN  44   5.483   5.809   5.809
  276   1HB   ASN  44          2HB       ASN  44   4.331   4.618   4.618
  277   2HB   ASN  44          3HB       ASN  44   3.065   5.454   5.454
  278   1HD2  ASN  44          2HD2      ASN  44   4.134   6.520   6.520
  279   2HD2  ASN  44          1HD2      ASN  44   5.134   5.520   5.520
  280    H    TYR  45           HN       TYR  45   6.845   5.133   5.133
  281    HA   TYR  45           HA       TYR  45   7.296   6.989   6.989
  282   1HB   TYR  45          2HB       TYR  45   8.795   7.141   7.141
  283   2HB   TYR  45          3HB       TYR  45   9.816   7.175   7.175
  284    HD1  TYR  45           HD1      TYR  45   6.871   8.586   8.586
  285    HD2  TYR  45           HD2      TYR  45  10.149   9.471   9.471
  286    HE1  TYR  45           HE1      TYR  45   6.419  11.075  11.075
  287    HE2  TYR  45           HE2      TYR  45   9.686  11.956  11.956
  288    HH   TYR  45           HH       TYR  45   7.186  13.252  13.252
  289    H    GLU  46           HN       GLU  46   8.655   4.431   4.431
  290    HA   GLU  46           HA       GLU  46  10.611   3.450   3.450
  291   1HB   GLU  46          2HB       GLU  46   8.530   1.759   1.759
  292   2HB   GLU  46          3HB       GLU  46  10.153   1.249   1.249
  293   1HG   GLU  46          2HG       GLU  46  10.761   3.537   3.537
  294   2HG   GLU  46          3HG       GLU  46   9.249   3.145   3.145
  295    H    GLY  47           HN       GLY  47   7.227   3.590   3.590
  296   1HA   GLY  47          1HA       GLY  47   6.787   3.335   3.335
  297   2HA   GLY  47          2HA       GLY  47   7.732   1.860   1.860
  298    H    PHE  48           HN       PHE  48   5.074   3.277   3.277
  299    HA   PHE  48           HA       PHE  48   3.817   0.637   0.637
  300   1HB   PHE  48          2HB       PHE  48   3.560   3.159   3.159
  301   2HB   PHE  48          3HB       PHE  48   2.505   1.775   1.775
  302    HD1  PHE  48           HD2      PHE  48   3.462  -0.398  -0.398
  303    HD2  PHE  48           HD1      PHE  48   5.773   3.160   3.160
  304    HE1  PHE  48           HE2      PHE  48   5.136  -1.446  -1.446
  305    HE2  PHE  48           HE1      PHE  48   7.446   2.113   2.113
  306    HZ   PHE  48           HZ       PHE  48   7.108  -0.178  -0.178
  307    H    ASP  49           HN       ASP  49   1.800   0.313   0.313
  308    HA   ASP  49           HA       ASP  49   0.691   2.648   2.648
  309   1HB   ASP  49          2HB       ASP  49  -0.341  -0.140  -0.140
  310   2HB   ASP  49          3HB       ASP  49  -0.191   1.194   1.194
  311    H    PHE  50           HN       PHE  50  -0.128   3.191   3.191
  312    HA   PHE  50           HA       PHE  50  -2.055   1.515   1.515
  313   1HB   PHE  50          2HB       PHE  50  -1.401   4.518   4.518
  314   2HB   PHE  50          3HB       PHE  50  -2.494   3.729   3.729
  315    HD1  PHE  50           HD1      PHE  50  -0.460   1.157   1.157
  316    HD2  PHE  50           HD2      PHE  50  -0.189   5.192   5.192
  317    HE1  PHE  50           HE1      PHE  50   1.481   0.557   0.557
  318    HE2  PHE  50           HE2      PHE  50   1.754   4.593   4.593
  319    HZ   PHE  50           HZ       PHE  50   2.565   2.283   2.283
  320    H    SER  51           HN       SER  51  -4.142   1.165   1.165
  321    HA   SER  51           HA       SER  51  -5.244   2.714   2.714
  322   1HB   SER  51          2HB       SER  51  -7.181   1.192   1.192
  323   2HB   SER  51          3HB       SER  51  -5.677   0.296   0.296
  324    HG   SER  51           HG       SER  51  -6.934   1.056   1.056
  325    H    VAL  52           HN       VAL  52  -4.605   3.981   3.981
  326    HA   VAL  52           HA       VAL  52  -7.285   5.092   5.092
  327    HB   VAL  52           HB       VAL  52  -6.852   5.219   5.219
  328   1HG1  VAL  52          1HG1      VAL  52  -7.084   2.765   2.765
  329   2HG1  VAL  52          2HG1      VAL  52  -6.068   2.470   2.470
  330   3HG1  VAL  52          3HG1      VAL  52  -7.695   3.164   3.164
  331   1HG2  VAL  52          2HG2      VAL  52  -4.187   5.238   5.238
  332   2HG2  VAL  52          3HG2      VAL  52  -4.845   5.011   5.011
  333   3HG2  VAL  52          1HG2      VAL  52  -4.387   3.597   3.597
  334    H    SER  53           HN       SER  53  -7.350   7.357   7.357
  335    HA   SER  53           HA       SER  53  -5.084   8.703   8.703
  336   1HB   SER  53          2HB       SER  53  -7.759   9.775   9.775
  337   2HB   SER  53          3HB       SER  53  -6.559  10.722  10.722
  338    HG   SER  53           HG       SER  53  -7.081   9.785   9.785
  339    H    SER  54           HN       SER  54  -3.649  10.062  10.062
  340    HA   SER  54           HA       SER  54  -3.006   9.586   9.586
  341   1HB   SER  54          2HB       SER  54  -2.185  12.108  12.108
  342   2HB   SER  54          3HB       SER  54  -1.469  10.935  10.935
  343    HG   SER  54           HG       SER  54  -3.722  12.032  12.032
  344    HA   PRO  55           HA       PRO  55  -2.050  11.308  11.308
  345   1HB   PRO  55          2HB       PRO  55  -1.869  11.331  11.331
  346   2HB   PRO  55          3HB       PRO  55  -1.843  12.787  12.787
  347   1HG   PRO  55          2HG       PRO  55  -4.036  11.708  11.708
  348   2HG   PRO  55          3HG       PRO  55  -3.829  13.332  13.332
  349   1HD   PRO  55          2HD       PRO  55  -5.605  11.318  11.318
  350   2HD   PRO  55          3HD       PRO  55  -5.312  12.900  12.900
  351    H    TYR  56           HN       TYR  56  -0.481   9.815   9.815
  352    HA   TYR  56           HA       TYR  56  -1.844   7.206   7.206
  353   1HB   TYR  56          2HB       TYR  56   1.032   8.122   8.122
  354   2HB   TYR  56          3HB       TYR  56   0.551   6.437   6.437
  355    HD1  TYR  56           HD1      TYR  56  -2.124   6.635   6.635
  356    HD2  TYR  56           HD2      TYR  56   1.655   8.421   8.421
  357    HE1  TYR  56           HE1      TYR  56  -2.773   6.766   6.766
  358    HE2  TYR  56           HE2      TYR  56   0.995   8.544   8.544
  359    HH   TYR  56           HH       TYR  56  -2.210   7.429   7.429
  360    H    TYR  57           HN       TYR  57  -2.194   6.606   6.606
  361    HA   TYR  57           HA       TYR  57  -0.237   7.412   7.412
  362   1HB   TYR  57          2HB       TYR  57  -2.931   5.920   5.920
  363   2HB   TYR  57          3HB       TYR  57  -2.091   6.588   6.588
  364    HD1  TYR  57           HD2      TYR  57  -1.305   9.142   9.142
  365    HD2  TYR  57           HD1      TYR  57  -4.933   7.225   7.225
  366    HE1  TYR  57           HE2      TYR  57  -2.567  11.329  11.329
  367    HE2  TYR  57           HE1      TYR  57  -6.182   9.419   9.419
  368    HH   TYR  57           HH       TYR  57  -4.521  12.389  12.389
  369    H    GLU  58           HN       GLU  58   1.366   6.058   6.058
  370    HA   GLU  58           HA       GLU  58   1.154   3.308   3.308
  371   1HB   GLU  58          2HB       GLU  58   3.556   3.207   3.207
  372   2HB   GLU  58          3HB       GLU  58   3.262   4.380   4.380
  373   1HG   GLU  58          2HG       GLU  58   3.265   6.226   6.226
  374   2HG   GLU  58          3HG       GLU  58   3.217   5.137   5.137
  375    H    TRP  59           HN       TRP  59   0.497   1.686   1.686
  376    HA   TRP  59           HA       TRP  59   0.886   2.073   2.073
  377   1HB   TRP  59          2HB       TRP  59  -1.351   2.778   2.778
  378   2HB   TRP  59          3HB       TRP  59  -1.719   1.481   1.481
  379    HD1  TRP  59           HD1      TRP  59  -2.438  -0.873  -0.873
  380    HE1  TRP  59           HE1      TRP  59  -3.021  -1.760  -1.760
  381    HE3  TRP  59           HE3      TRP  59  -0.606   3.163   3.163
  382    HZ2  TRP  59           HZ2      TRP  59  -2.658  -0.697  -0.697
  383    HZ3  TRP  59           HZ3      TRP  59  -0.760   3.159   3.159
  384    HH2  TRP  59           HH2      TRP  59  -1.743   1.316   1.316
  385    HA   PRO  60           HA       PRO  60   2.209  -2.043  -2.043
  386   1HB   PRO  60          2HB       PRO  60   2.166  -2.871  -2.871
  387   2HB   PRO  60          3HB       PRO  60   3.468  -1.916  -1.916
  388   1HG   PRO  60          2HG       PRO  60   1.297  -1.063  -1.063
  389   2HG   PRO  60          3HG       PRO  60   2.817  -0.262  -0.262
  390   1HD   PRO  60          2HD       PRO  60   0.231   0.454   0.454
  391   2HD   PRO  60          3HD       PRO  60   1.766   1.181   1.181
  392    H    ILE  61           HN       ILE  61   1.636  -4.271  -4.271
  393    HA   ILE  61           HA       ILE  61  -1.225  -4.594  -4.594
  394    HB   ILE  61           HB       ILE  61  -0.670  -4.349  -4.349
  395   1HG1  ILE  61          2HG1      ILE  61  -1.814  -7.055  -7.055
  396   2HG1  ILE  61          3HG1      ILE  61  -2.683  -5.547  -5.547
  397   1HG2  ILE  61          1HG2      ILE  61   1.529  -5.656  -5.656
  398   2HG2  ILE  61          2HG2      ILE  61   0.516  -7.115  -7.115
  399   3HG2  ILE  61          3HG2      ILE  61   0.551  -5.945  -5.945
  400   1HD1  ILE  61          3HD1      ILE  61  -1.432  -6.092  -6.092
  401   2HD1  ILE  61          1HD1      ILE  61  -2.909  -6.982  -6.982
  402   3HD1  ILE  61          2HD1      ILE  61  -2.924  -5.202  -5.202
  403    H    LEU  62           HN       LEU  62  -1.507  -5.976  -5.976
  404    HA   LEU  62           HA       LEU  62   0.633  -7.815  -7.815
  405   1HB   LEU  62          2HB       LEU  62  -1.932  -7.041  -7.041
  406   2HB   LEU  62          3HB       LEU  62  -0.865  -8.298  -8.298
  407    HG   LEU  62           HG       LEU  62   0.157  -5.505  -5.505
  408   1HD1  LEU  62          2HD1      LEU  62  -1.946  -5.753  -5.753
  409   2HD1  LEU  62          3HD1      LEU  62  -0.704  -6.294  -6.294
  410   3HD1  LEU  62          1HD1      LEU  62  -0.581  -4.685  -4.685
  411   1HD2  LEU  62          3HD2      LEU  62   1.286  -7.968  -7.968
  412   2HD2  LEU  62          1HD2      LEU  62   2.077  -6.401  -6.401
  413   3HD2  LEU  62          2HD2      LEU  62   1.355  -6.750  -6.750
  414    H    SER  63           HN       SER  63   0.704  -9.897  -9.897
  415    HA   SER  63           HA       SER  63  -1.297 -10.874 -10.874
  416   1HB   SER  63          2HB       SER  63   0.166 -12.612 -12.612
  417   2HB   SER  63          3HB       SER  63   1.294 -11.483 -11.483
  418    HG   SER  63           HG       SER  63   0.809 -12.558 -12.558
  419    H    SER  64           HN       SER  64  -1.379 -10.398 -10.398
  420    HA   SER  64           HA       SER  64  -2.763 -12.871 -12.871
  421   1HB   SER  64          2HB       SER  64  -1.496 -10.692 -10.692
  422   2HB   SER  64          3HB       SER  64  -2.880 -11.488 -11.488
  423    HG   SER  64           HG       SER  64  -0.795 -13.082 -13.082
  424    H    GLY  65           HN       GLY  65  -3.354  -9.625  -9.625
  425   1HA   GLY  65          1HA       GLY  65  -5.366  -8.724  -8.724
  426   2HA   GLY  65          2HA       GLY  65  -6.213 -10.015 -10.015
  427    H    ASP  66           HN       ASP  66  -3.638  -7.874  -7.874
  428    HA   ASP  66           HA       ASP  66  -5.649  -6.964  -6.964
  429   1HB   ASP  66          2HB       ASP  66  -2.615  -7.205  -7.205
  430   2HB   ASP  66          3HB       ASP  66  -3.624  -6.453  -6.453
  431    H    VAL  67           HN       VAL  67  -4.346  -4.738  -4.738
  432    HA   VAL  67           HA       VAL  67  -3.906  -3.040  -3.040
  433    HB   VAL  67           HB       VAL  67  -5.386  -2.605  -2.605
  434   1HG1  VAL  67          1HG1      VAL  67  -4.237  -0.455  -0.455
  435   2HG1  VAL  67          2HG1      VAL  67  -5.500  -0.174  -0.174
  436   3HG1  VAL  67          3HG1      VAL  67  -3.881  -0.722  -0.722
  437   1HG2  VAL  67          1HG2      VAL  67  -6.000  -2.617  -2.617
  438   2HG2  VAL  67          2HG2      VAL  67  -6.984  -3.145  -3.145
  439   3HG2  VAL  67          3HG2      VAL  67  -6.853  -1.414  -1.414
  440    H    TYR  68           HN       TYR  68  -1.718  -2.820  -2.820
  441    HA   TYR  68           HA       TYR  68   0.175  -3.173  -3.173
  442   1HB   TYR  68          2HB       TYR  68   0.763  -2.752  -2.752
  443   2HB   TYR  68          3HB       TYR  68  -0.216  -1.300  -1.300
  444    HD1  TYR  68           HD2      TYR  68   2.805  -2.627  -2.627
  445    HD2  TYR  68           HD1      TYR  68   0.858   0.761   0.761
  446    HE1  TYR  68           HE2      TYR  68   4.868  -1.207  -1.207
  447    HE2  TYR  68           HE1      TYR  68   2.927   2.169   2.169
  448    HH   TYR  68           HH       TYR  68   5.499   1.557   1.557
  449    H    SER  69           HN       SER  69   0.062  -2.409  -2.409
  450    HA   SER  69           HA       SER  69  -0.402   0.459   0.459
  451   1HB   SER  69          2HB       SER  69  -1.339   0.077   0.077
  452   2HB   SER  69          3HB       SER  69  -2.020  -1.176  -1.176
  453    HG   SER  69           HG       SER  69  -0.446  -2.673  -2.673
  454    H    GLY  70           HN       GLY  70   2.147  -0.351  -0.351
  455   1HA   GLY  70          1HA       GLY  70   3.723   0.239   0.239
  456   2HA   GLY  70          2HA       GLY  70   4.151  -1.137  -1.137
  457    H    GLY  71           HN       GLY  71   6.245  -0.002  -0.002
  458   1HA   GLY  71          1HA       GLY  71   6.024   2.223   2.223
  459   2HA   GLY  71          2HA       GLY  71   7.359   1.969   1.969
  460    H    SER  72           HN       SER  72   7.119  -1.085  -1.085
  461    HA   SER  72           HA       SER  72   8.364  -1.030  -1.030
  462   1HB   SER  72          2HB       SER  72   9.231  -2.311  -2.311
  463   2HB   SER  72          3HB       SER  72   9.566  -3.182  -3.182
  464    HG   SER  72           HG       SER  72  10.673  -0.772  -0.772
  465    HA   PRO  73           HA       PRO  73   4.925  -3.895  -3.895
  466   1HB   PRO  73          2HB       PRO  73   4.255  -3.323  -3.323
  467   2HB   PRO  73          3HB       PRO  73   3.553  -2.497  -2.497
  468   1HG   PRO  73          2HG       PRO  73   5.594  -1.522  -1.522
  469   2HG   PRO  73          3HG       PRO  73   4.585  -0.599  -0.599
  470   1HD   PRO  73          2HD       PRO  73   7.361  -1.232  -1.232
  471   2HD   PRO  73          3HD       PRO  73   6.321  -0.410  -0.410
  472    H    GLY  74           HN       GLY  74   6.336  -3.580  -3.580
  473   1HA   GLY  74          1HA       GLY  74   8.189  -5.600  -5.600
  474   2HA   GLY  74          2HA       GLY  74   6.662  -6.416  -6.416
  475    H    ALA  75           HN       ALA  75   8.392  -6.728  -6.728
  476    HA   ALA  75           HA       ALA  75   8.688  -4.785  -4.785
  477   1HB   ALA  75          2HB       ALA  75   8.827  -7.685  -7.685
  478   2HB   ALA  75          3HB       ALA  75   8.202  -7.184  -7.184
  479   3HB   ALA  75          1HB       ALA  75   9.773  -6.573  -6.573
  480    H    ASP  76           HN       ASP  76   5.913  -7.079  -7.079
  481    HA   ASP  76           HA       ASP  76   4.480  -6.261  -6.261
  482   1HB   ASP  76          2HB       ASP  76   3.209  -6.972  -6.972
  483   2HB   ASP  76          3HB       ASP  76   2.574  -7.291  -7.291
  484    H    ARG  77           HN       ARG  77   3.353  -4.348  -4.348
  485    HA   ARG  77           HA       ARG  77   2.378  -2.814  -2.814
  486   1HB   ARG  77          2HB       ARG  77   4.221  -1.589  -1.589
  487   2HB   ARG  77          3HB       ARG  77   3.409  -0.697  -0.697
  488   1HG   ARG  77          2HG       ARG  77   5.058  -3.029  -3.029
  489   2HG   ARG  77          3HG       ARG  77   5.952  -1.679  -1.679
  490   1HD   ARG  77          2HD       ARG  77   3.962  -0.563  -0.563
  491   2HD   ARG  77          3HD       ARG  77   4.693  -1.901  -1.901
  492    HE   ARG  77           HE       ARG  77   6.107   0.521   0.521
  493   1HH1  ARG  77           HH2      ARG  77   7.779  -2.222  -2.222
  494   2HH1  ARG  77           HH2      ARG  77   6.240  -2.548  -2.548
  495   1HH2  ARG  77           HH1      ARG  77   8.137   0.952   0.952
  496   2HH2  ARG  77           HH1      ARG  77   8.866  -0.219  -0.219
  497    H    VAL  78           HN       VAL  78   0.603  -1.405  -1.405
  498    HA   VAL  78           HA       VAL  78  -0.313  -1.870  -1.870
  499    HB   VAL  78           HB       VAL  78  -1.888  -2.928  -2.928
  500   1HG1  VAL  78          2HG1      VAL  78  -0.879  -2.461  -2.461
  501   2HG1  VAL  78          3HG1      VAL  78  -1.566  -0.820  -0.820
  502   3HG1  VAL  78          1HG1      VAL  78  -2.643  -2.234  -2.234
  503   1HG2  VAL  78          2HG2      VAL  78  -2.761  -0.029  -0.029
  504   2HG2  VAL  78          3HG2      VAL  78  -3.130  -1.347  -1.347
  505   3HG2  VAL  78          1HG2      VAL  78  -3.849  -1.351  -1.351
  506    H    VAL  79           HN       VAL  79  -0.835  -0.110  -0.110
  507    HA   VAL  79           HA       VAL  79  -0.450   2.501   2.501
  508    HB   VAL  79           HB       VAL  79   0.168   1.564   1.564
  509   1HG1  VAL  79          3HG1      VAL  79  -0.717   4.073   4.073
  510   2HG1  VAL  79          1HG1      VAL  79   1.040   4.264   4.264
  511   3HG1  VAL  79          2HG1      VAL  79   0.386   3.690   3.690
  512   1HG2  VAL  79          2HG2      VAL  79   1.862   2.306   2.306
  513   2HG2  VAL  79          3HG2      VAL  79   1.919   0.837   0.837
  514   3HG2  VAL  79          1HG2      VAL  79   2.502   2.384   2.384
  515    H    PHE  80           HN       PHE  80  -2.038   4.055   4.055
  516    HA   PHE  80           HA       PHE  80  -4.100   3.633   3.633
  517   1HB   PHE  80          2HB       PHE  80  -5.871   3.408   3.408
  518   2HB   PHE  80          3HB       PHE  80  -4.621   2.307   2.307
  519    HD1  PHE  80           HD2      PHE  80  -2.872   3.388   3.388
  520    HD2  PHE  80           HD1      PHE  80  -6.787   4.870   4.870
  521    HE1  PHE  80           HE2      PHE  80  -2.829   4.543   4.543
  522    HE2  PHE  80           HE1      PHE  80  -6.743   6.027   6.027
  523    HZ   PHE  80           HZ       PHE  80  -4.765   5.850   5.850
  524    H    ASN  81           HN       ASN  81  -5.645   5.518   5.518
  525    HA   ASN  81           HA       ASN  81  -4.189   7.886   7.886
  526   1HB   ASN  81          2HB       ASN  81  -4.865   8.857   8.857
  527   2HB   ASN  81          3HB       ASN  81  -5.211   7.215   7.215
  528   1HD2  ASN  81          2HD2      ASN  81  -8.748   7.395   7.395
  529   2HD2  ASN  81          1HD2      ASN  81  -7.376   6.348   6.348
  530    H    GLU  82           HN       GLU  82  -7.476   8.357   8.357
  531    HA   GLU  82           HA       GLU  82  -8.384   9.678   9.678
  532   1HB   GLU  82          2HB       GLU  82  -9.699   9.400   9.400
  533   2HB   GLU  82          3HB       GLU  82  -9.919   7.689   7.689
  534   1HG   GLU  82          2HG       GLU  82 -11.616   8.042   8.042
  535   2HG   GLU  82          3HG       GLU  82 -10.802   9.399   9.399
  536    H    ASN  83           HN       ASN  83  -9.047   6.113   6.113
  537    HA   ASN  83           HA       ASN  83  -8.446   5.698   5.698
  538   1HB   ASN  83          2HB       ASN  83 -10.910   4.613   4.613
  539   2HB   ASN  83          3HB       ASN  83 -10.603   6.283   6.283
  540   1HD2  ASN  83          2HD2      ASN  83 -11.836   6.046   6.046
  541   2HD2  ASN  83          1HD2      ASN  83 -10.372   5.328   5.328
  542    H    ASN  84           HN       ASN  84 -10.919   4.168   4.168
  543    HA   ASN  84           HA       ASN  84  -9.511   1.691   1.691
  544   1HB   ASN  84          2HB       ASN  84 -11.472   0.709   0.709
  545   2HB   ASN  84          3HB       ASN  84 -12.102   2.057   2.057
  546   1HD2  ASN  84          2HD2      ASN  84 -13.087   4.047   4.047
  547   2HD2  ASN  84          1HD2      ASN  84 -12.609   4.034   4.034
  548    H    GLN  85           HN       GLN  85  -8.378   4.115   4.115
  549    HA   GLN  85           HA       GLN  85  -8.574   3.345   3.345
  550   1HB   GLN  85          2HB       GLN  85  -6.509   5.256   5.256
  551   2HB   GLN  85          3HB       GLN  85  -8.159   5.551   5.551
  552   1HG   GLN  85          2HG       GLN  85  -7.387   6.939   6.939
  553   2HG   GLN  85          3HG       GLN  85  -8.883   6.059   6.059
  554   1HE2  GLN  85          2HE2      GLN  85  -7.431   3.525   3.525
  555   2HE2  GLN  85          1HE2      GLN  85  -8.515   3.720   3.720
  556    H    LEU  86           HN       LEU  86  -7.474   1.366   1.366
  557    HA   LEU  86           HA       LEU  86  -4.923   1.038   1.038
  558   1HB   LEU  86          2HB       LEU  86  -5.799  -0.946  -0.946
  559   2HB   LEU  86          3HB       LEU  86  -7.097  -0.703  -0.703
  560    HG   LEU  86           HG       LEU  86  -5.095  -1.259  -1.259
  561   1HD1  LEU  86          1HD1      LEU  86  -3.834  -1.737  -1.737
  562   2HD1  LEU  86          2HD1      LEU  86  -4.364  -3.360  -3.360
  563   3HD1  LEU  86          3HD1      LEU  86  -3.347  -2.378  -2.378
  564   1HD2  LEU  86          2HD2      LEU  86  -7.247  -2.792  -2.792
  565   2HD2  LEU  86          3HD2      LEU  86  -6.829  -2.608  -2.608
  566   3HD2  LEU  86          1HD2      LEU  86  -5.959  -3.790  -3.790
  567    H    ALA  87           HN       ALA  87  -3.113   1.649   1.649
  568    HA   ALA  87           HA       ALA  87  -3.148   2.153   2.153
  569   1HB   ALA  87          3HB       ALA  87  -1.491   2.692   2.692
  570   2HB   ALA  87          1HB       ALA  87  -0.481   2.013   2.013
  571   3HB   ALA  87          2HB       ALA  87  -1.464   3.465   3.465
  572    H    GLY  88           HN       GLY  88  -2.046  -0.510  -0.510
  573   1HA   GLY  88          1HA       GLY  88  -2.294  -2.531  -2.531
  574   2HA   GLY  88          2HA       GLY  88  -0.681  -1.911  -1.911
  575    H    VAL  89           HN       VAL  89   0.587  -3.555  -3.555
  576    HA   VAL  89           HA       VAL  89   0.467  -3.789  -3.789
  577    HB   VAL  89           HB       VAL  89   0.276  -6.120  -6.120
  578   1HG1  VAL  89          2HG1      VAL  89   1.682  -6.031  -6.031
  579   2HG1  VAL  89          3HG1      VAL  89   0.135  -6.822  -6.822
  580   3HG1  VAL  89          1HG1      VAL  89   1.176  -7.480  -7.480
  581   1HG2  VAL  89          2HG2      VAL  89  -1.606  -4.833  -4.833
  582   2HG2  VAL  89          3HG2      VAL  89  -1.911  -5.446  -5.446
  583   3HG2  VAL  89          1HG2      VAL  89  -1.711  -6.587  -6.587
  584    H    ILE  90           HN       ILE  90   2.411  -2.592  -2.592
  585    HA   ILE  90           HA       ILE  90   4.632  -3.523  -3.523
  586    HB   ILE  90           HB       ILE  90   5.807  -1.633  -1.633
  587   1HG1  ILE  90          2HG1      ILE  90   3.572  -1.612  -1.612
  588   2HG1  ILE  90          3HG1      ILE  90   5.295  -1.406  -1.406
  589   1HG2  ILE  90          1HG2      ILE  90   3.901  -1.468  -1.468
  590   2HG2  ILE  90          2HG2      ILE  90   3.086  -0.507  -0.507
  591   3HG2  ILE  90          3HG2      ILE  90   4.680  -0.003  -0.003
  592   1HD1  ILE  90          2HD1      ILE  90   3.998   0.685   0.685
  593   2HD1  ILE  90          3HD1      ILE  90   3.520   0.665   0.665
  594   3HD1  ILE  90          1HD1      ILE  90   5.233   0.854   0.854
  595    H    THR  91           HN       THR  91   6.798  -3.893  -3.893
  596    HA   THR  91           HA       THR  91   6.688  -4.822  -4.822
  597    HB   THR  91           HB       THR  91   5.658  -6.808  -6.808
  598    HG1  THR  91           HG1      THR  91   7.407  -8.177  -8.177
  599   1HG2  THR  91          1HG2      THR  91   7.524  -6.711  -6.711
  600   2HG2  THR  91          2HG2      THR  91   6.289  -7.951  -7.951
  601   3HG2  THR  91          3HG2      THR  91   5.797  -6.279  -6.279
  602    H    HIS  92           HN       HIS  92   8.783  -5.401  -5.401
  603    HA   HIS  92           HA       HIS  92  10.831  -4.012  -4.012
  604   1HB   HIS  92          2HB       HIS  92  10.522  -5.117  -5.117
  605   2HB   HIS  92          3HB       HIS  92  12.135  -4.801  -4.801
  606    HD1  HIS  92           HD1      HIS  92  12.651  -2.778  -2.778
  607    HD2  HIS  92           HD2      HIS  92   9.115  -2.351  -2.351
  608    HE1  HIS  92           HE1      HIS  92  11.925  -0.347  -0.347
  609    HE2  HIS  92           HE2      HIS  92   9.777  -0.131  -0.131
  610    H    THR  93           HN       THR  93   9.568  -6.803  -6.803
  611    HA   THR  93           HA       THR  93  11.397  -8.820  -8.820
  612    HB   THR  93           HB       THR  93   9.303  -8.064  -8.064
  613    HG1  THR  93           HG1      THR  93   8.796 -10.372 -10.372
  614   1HG2  THR  93          2HG2      THR  93  11.422 -10.228 -10.228
  615   2HG2  THR  93          3HG2      THR  93   9.766 -10.494 -10.494
  616   3HG2  THR  93          1HG2      THR  93  10.743  -9.156  -9.156
  617    H    GLY  94           HN       GLY  94  13.523  -7.924  -7.924
  618   1HA   GLY  94          1HA       GLY  94  15.426  -7.060  -7.060
  619   2HA   GLY  94          2HA       GLY  94  15.170  -8.403  -8.403
  620    H    ALA  95           HN       ALA  95  13.046  -5.512  -5.512
  621    HA   ALA  95           HA       ALA  95  12.878  -5.097  -5.097
  622   1HB   ALA  95          2HB       ALA  95  12.535  -3.301  -3.301
  623   2HB   ALA  95          3HB       ALA  95  12.233  -2.712  -2.712
  624   3HB   ALA  95          1HB       ALA  95  11.282  -4.069  -4.069
  625    H    SER  96           HN       SER  96  15.319  -3.970  -3.970
  626    HA   SER  96           HA       SER  96  17.481  -3.854  -3.854
  627   1HB   SER  96          2HB       SER  96  16.780  -3.067  -3.067
  628   2HB   SER  96          3HB       SER  96  15.808  -1.781  -1.781
  629    HG   SER  96           HG       SER  96  18.495  -1.581  -1.581
  630    H    GLY  97           HN       GLY  97  16.360  -3.376  -3.376
  631   1HA   GLY  97          1HA       GLY  97  17.640  -2.191  -2.191
  632   2HA   GLY  97          2HA       GLY  97  17.568  -0.759  -0.759
  633    H    ASN  98           HN       ASN  98  16.082   0.747   0.747
  634    HA   ASN  98           HA       ASN  98  13.974  -0.138  -0.138
  635   1HB   ASN  98          2HB       ASN  98  15.338   1.885   1.885
  636   2HB   ASN  98          3HB       ASN  98  14.824   2.670   2.670
  637   1HD2  ASN  98          2HD2      ASN  98  11.458   1.807   1.807
  638   2HD2  ASN  98          1HD2      ASN  98  12.459   0.629   0.629
  639    H    ASN  99           HN       ASN  99  14.556   0.393   0.393
  640    HA   ASN  99           HA       ASN  99  12.323   1.766   1.766
  641   1HB   ASN  99          2HB       ASN  99  12.806   0.862   0.862
  642   2HB   ASN  99          3HB       ASN  99  14.347   1.091   1.091
  643   1HD2  ASN  99          2HD2      ASN  99  14.261  -2.590  -2.590
  644   2HD2  ASN  99          1HD2      ASN  99  14.031  -1.125  -1.125
  645    H    PHE 100           HN       PHE 100  10.241   0.969   0.969
  646    HA   PHE 100           HA       PHE 100   9.506  -1.615  -1.615
  647   1HB   PHE 100          2HB       PHE 100   8.142   1.018   1.018
  648   2HB   PHE 100          3HB       PHE 100   7.153  -0.427  -0.427
  649    HD1  PHE 100           HD2      PHE 100   7.686  -1.898  -1.898
  650    HD2  PHE 100           HD1      PHE 100   8.179   2.299   2.299
  651    HE1  PHE 100           HE2      PHE 100   7.485  -1.641  -1.641
  652    HE2  PHE 100           HE1      PHE 100   7.977   2.555   2.555
  653    HZ   PHE 100           HZ       PHE 100   7.632   0.583   0.583
  654    H    VAL 101           HN       VAL 101   7.654  -2.761  -2.761
  655    HA   VAL 101           HA       VAL 101   7.543  -2.286  -2.286
  656    HB   VAL 101           HB       VAL 101   8.554  -4.452  -4.452
  657   1HG1  VAL 101          3HG1      VAL 101   9.748  -2.188  -2.188
  658   2HG1  VAL 101          1HG1      VAL 101  10.612  -2.741  -2.741
  659   3HG1  VAL 101          2HG1      VAL 101  10.772  -3.643  -3.643
  660   1HG2  VAL 101          1HG2      VAL 101   9.360  -4.506  -4.506
  661   2HG2  VAL 101          2HG2      VAL 101   8.519  -5.757  -5.757
  662   3HG2  VAL 101          3HG2      VAL 101  10.240  -5.418  -5.418
  663    H    GLU 102           HN       GLU 102   5.678  -3.198  -3.198
  664    HA   GLU 102           HA       GLU 102   3.787  -4.072  -4.072
  665   1HB   GLU 102          2HB       GLU 102   3.483  -4.945  -4.945
  666   2HB   GLU 102          3HB       GLU 102   2.360  -4.077  -4.077
  667   1HG   GLU 102          2HG       GLU 102   4.150  -2.114  -2.114
  668   2HG   GLU 102          3HG       GLU 102   4.686  -2.988  -2.988
  669    H    CYS 103           HN       CYS 103   3.324  -6.038  -6.038
  670    HA   CYS 103           HA       CYS 103   5.078  -8.138  -8.138
  671   1HB   CYS 103          2HB       CYS 103   2.154  -8.221  -8.221
  672   2HB   CYS 103          3HB       CYS 103   3.332  -9.471  -9.471
  673    H    THR 104           HN       THR 104   3.540 -10.489 -10.489
  674    HA   THR 104           HA       THR 104   3.117 -10.257 -10.257
  675    HB   THR 104           HB       THR 104   3.808 -12.638 -12.638
  676    HG1  THR 104           HG1      THR 104   3.413 -13.631 -13.631
  677   1HG2  THR 104          3HG2      THR 104   5.551 -10.699 -10.699
  678   2HG2  THR 104          1HG2      THR 104   6.059 -12.397 -12.397
  679   3HG2  THR 104          2HG2      THR 104   5.825 -11.393 -11.393

  Start of MODEL   30
    1    H    ALA   1           HN       ALA   1 -10.294 -14.573 -14.573
    2    HA   ALA   1           HA       ALA   1  -9.084 -14.787 -14.787
    3   1HB   ALA   1          3HB       ALA   1  -9.013 -16.297 -16.297
    4   2HB   ALA   1          1HB       ALA   1  -7.328 -16.219 -16.219
    5   3HB   ALA   1          2HB       ALA   1  -8.600 -16.852 -16.852
    6    H    CYS   2           HN       CYS   2  -6.607 -15.176 -15.176
    7    HA   CYS   2           HA       CYS   2  -5.383 -12.871 -12.871
    8   1HB   CYS   2          2HB       CYS   2  -3.241 -14.580 -14.580
    9   2HB   CYS   2          3HB       CYS   2  -3.936 -14.229 -14.229
   10    H    ASP   3           HN       ASP   3  -4.456 -11.265 -11.265
   11    HA   ASP   3           HA       ASP   3  -3.723 -12.029 -12.029
   12   1HB   ASP   3          2HB       ASP   3  -5.520  -9.853  -9.853
   13   2HB   ASP   3          3HB       ASP   3  -4.387  -9.370  -9.370
   14    H    TYR   4           HN       TYR   4  -2.821 -10.845 -10.845
   15    HA   TYR   4           HA       TYR   4  -0.470  -9.514  -9.514
   16   1HB   TYR   4          2HB       TYR   4  -2.245  -8.728  -8.728
   17   2HB   TYR   4          3HB       TYR   4  -0.735  -7.926  -7.926
   18    HD1  TYR   4           HD2      TYR   4  -0.555  -6.772  -6.772
   19    HD2  TYR   4           HD1      TYR   4  -4.266  -7.997  -7.997
   20    HE1  TYR   4           HE2      TYR   4  -1.808  -5.166  -5.166
   21    HE2  TYR   4           HE1      TYR   4  -5.507  -6.388  -6.388
   22    HH   TYR   4           HH       TYR   4  -4.416  -3.954  -3.954
   23    H    THR   5           HN       THR   5   0.727 -11.477 -11.477
   24    HA   THR   5           HA       THR   5   0.916 -12.346 -12.346
   25    HB   THR   5           HB       THR   5   1.716 -13.545 -13.545
   26    HG1  THR   5           HG1      THR   5   0.046 -14.436 -14.436
   27   1HG2  THR   5          3HG2      THR   5   2.883 -14.074 -14.074
   28   2HG2  THR   5          1HG2      THR   5   1.813 -15.434 -15.434
   29   3HG2  THR   5          2HG2      THR   5   3.135 -14.971 -14.971
   30    H    CYS   6           HN       CYS   6   2.239 -11.037 -11.037
   31    HA   CYS   6           HA       CYS   6   4.557  -9.928  -9.928
   32   1HB   CYS   6          2HB       CYS   6   3.281  -9.732  -9.732
   33   2HB   CYS   6          3HB       CYS   6   4.958  -9.257  -9.257
   34    H    GLY   7           HN       GLY   7   5.161 -12.355 -12.355
   35   1HA   GLY   7          1HA       GLY   7   6.734 -13.948 -13.948
   36   2HA   GLY   7          2HA       GLY   7   7.340 -13.091 -13.091
   37    H    SER   8           HN       SER   8   5.351 -13.094 -13.094
   38    HA   SER   8           HA       SER   8   4.527 -15.880 -15.880
   39   1HB   SER   8          2HB       SER   8   5.311 -16.107 -16.107
   40   2HB   SER   8          3HB       SER   8   6.617 -15.268 -15.268
   41    HG   SER   8           HG       SER   8   4.562 -14.054 -14.054
   42    H    ASN   9           HN       ASN   9   2.715 -14.179 -14.179
   43    HA   ASN   9           HA       ASN   9   0.973 -13.758 -13.758
   44   1HB   ASN   9          2HB       ASN   9   1.339 -11.691 -11.691
   45   2HB   ASN   9          3HB       ASN   9   0.257 -11.541 -11.541
   46   1HD2  ASN   9          2HD2      ASN   9   4.368 -11.323 -11.323
   47   2HD2  ASN   9          1HD2      ASN   9   3.675 -12.294 -12.294
   48    H    CYS  10           HN       CYS  10  -1.298 -12.821 -12.821
   49    HA   CYS  10           HA       CYS  10  -1.761 -13.772 -13.772
   50   1HB   CYS  10          2HB       CYS  10  -1.489 -15.928 -15.928
   51   2HB   CYS  10          3HB       CYS  10  -3.210 -15.635 -15.635
   52    H    TYR  11           HN       TYR  11  -2.399 -11.397 -11.397
   53    HA   TYR  11           HA       TYR  11  -5.232 -11.562 -11.562
   54   1HB   TYR  11          2HB       TYR  11  -4.453  -9.133  -9.133
   55   2HB   TYR  11          3HB       TYR  11  -4.226 -10.573 -10.573
   56    HD1  TYR  11           HD2      TYR  11  -2.259  -9.437  -9.437
   57    HD2  TYR  11           HD1      TYR  11  -2.291 -10.126 -10.126
   58    HE1  TYR  11           HE2      TYR  11   0.240  -8.979  -8.979
   59    HE2  TYR  11           HE1      TYR  11   0.208  -9.666  -9.666
   60    HH   TYR  11           HH       TYR  11   1.823  -8.081  -8.081
   61    H    SER  12           HN       SER  12  -6.181 -11.259 -11.259
   62    HA   SER  12           HA       SER  12  -5.096  -9.591  -9.591
   63   1HB   SER  12          2HB       SER  12  -6.595 -10.923 -10.923
   64   2HB   SER  12          3HB       SER  12  -7.527 -11.194 -11.194
   65    HG   SER  12           HG       SER  12  -8.563  -9.961  -9.961
   66    H    SER  13           HN       SER  13  -6.807  -7.771  -7.771
   67    HA   SER  13           HA       SER  13  -6.523  -5.607  -5.607
   68   1HB   SER  13          2HB       SER  13  -8.333  -4.567  -4.567
   69   2HB   SER  13          3HB       SER  13  -6.991  -5.295  -5.295
   70    HG   SER  13           HG       SER  13  -8.590  -7.312  -7.312
   71    H    SER  14           HN       SER  14  -8.754  -8.234  -8.234
   72    HA   SER  14           HA       SER  14 -10.756  -6.705  -6.705
   73   1HB   SER  14          2HB       SER  14 -11.322  -8.740  -8.740
   74   2HB   SER  14          3HB       SER  14 -10.340  -9.719  -9.719
   75    HG   SER  14           HG       SER  14 -12.775  -8.297  -8.297
   76    H    ASP  15           HN       ASP  15  -7.831  -8.541  -8.541
   77    HA   ASP  15           HA       ASP  15  -8.513  -8.736  -8.736
   78   1HB   ASP  15          2HB       ASP  15  -6.224  -9.517  -9.517
   79   2HB   ASP  15          3HB       ASP  15  -5.822  -9.237  -9.237
   80    H    VAL  16           HN       VAL  16  -6.414  -6.774  -6.774
   81    HA   VAL  16           HA       VAL  16  -4.967  -5.397  -5.397
   82    HB   VAL  16           HB       VAL  16  -5.944  -4.558  -4.558
   83   1HG1  VAL  16          2HG1      VAL  16  -4.444  -3.097  -3.097
   84   2HG1  VAL  16          3HG1      VAL  16  -3.515  -3.282  -3.282
   85   3HG1  VAL  16          1HG1      VAL  16  -5.129  -2.532  -2.532
   86   1HG2  VAL  16          2HG2      VAL  16  -3.352  -5.847  -5.847
   87   2HG2  VAL  16          3HG2      VAL  16  -4.626  -6.599  -6.599
   88   3HG2  VAL  16          1HG2      VAL  16  -3.673  -5.245  -5.245
   89    H    SER  17           HN       SER  17  -8.187  -4.674  -4.674
   90    HA   SER  17           HA       SER  17  -8.735  -2.271  -2.271
   91   1HB   SER  17          2HB       SER  17 -10.294  -3.990  -3.990
   92   2HB   SER  17          3HB       SER  17 -10.675  -4.564  -4.564
   93    HG   SER  17           HG       SER  17 -11.112  -1.901  -1.901
   94    H    THR  18           HN       THR  18  -9.009  -5.255  -5.255
   95    HA   THR  18           HA       THR  18  -9.876  -4.099  -4.099
   96    HB   THR  18           HB       THR  18  -8.224  -6.504  -6.504
   97    HG1  THR  18           HG1      THR  18 -10.575  -6.040  -6.040
   98   1HG2  THR  18          1HG2      THR  18  -8.626  -5.424  -5.424
   99   2HG2  THR  18          2HG2      THR  18  -8.501  -7.172  -7.172
  100   3HG2  THR  18          3HG2      THR  18  -7.141  -6.095  -6.095
  101    H    ALA  19           HN       ALA  19  -6.421  -4.552  -4.552
  102    HA   ALA  19           HA       ALA  19  -5.345  -3.286  -3.286
  103   1HB   ALA  19          2HB       ALA  19  -4.093  -4.701  -4.701
  104   2HB   ALA  19          3HB       ALA  19  -4.289  -3.455  -3.455
  105   3HB   ALA  19          1HB       ALA  19  -3.323  -3.108  -3.108
  106    H    GLN  20           HN       GLN  20  -6.492  -2.006  -2.006
  107    HA   GLN  20           HA       GLN  20  -5.554   0.561   0.561
  108   1HB   GLN  20          2HB       GLN  20  -8.124  -0.202  -0.202
  109   2HB   GLN  20          3HB       GLN  20  -7.094   1.176   1.176
  110   1HG   GLN  20          2HG       GLN  20  -5.345  -0.189  -0.189
  111   2HG   GLN  20          3HG       GLN  20  -5.982  -1.646  -1.646
  112   1HE2  GLN  20          2HE2      GLN  20  -8.097  -0.010  -0.010
  113   2HE2  GLN  20          1HE2      GLN  20  -7.404   0.982   0.982
  114    H    ALA  21           HN       ALA  21  -8.841  -0.822  -0.822
  115    HA   ALA  21           HA       ALA  21 -10.199   1.269   1.269
  116   1HB   ALA  21          3HB       ALA  21 -10.843  -1.180  -1.180
  117   2HB   ALA  21          1HB       ALA  21  -9.968  -1.311  -1.311
  118   3HB   ALA  21          2HB       ALA  21 -11.382  -0.239  -0.239
  119    H    ALA  22           HN       ALA  22  -7.425  -0.265  -0.265
  120    HA   ALA  22           HA       ALA  22  -7.728   1.337   1.337
  121   1HB   ALA  22          2HB       ALA  22  -6.598  -0.992  -0.992
  122   2HB   ALA  22          3HB       ALA  22  -5.187  -0.051  -0.051
  123   3HB   ALA  22          1HB       ALA  22  -5.834   0.179   0.179
  124    H    GLY  23           HN       GLY  23  -5.468   1.331   1.331
  125   1HA   GLY  23          1HA       GLY  23  -3.938   3.521   3.521
  126   2HA   GLY  23          2HA       GLY  23  -4.312   3.003   3.003
  127    H    TYR  24           HN       TYR  24  -7.185   3.378   3.378
  128    HA   TYR  24           HA       TYR  24  -7.252   6.173   6.173
  129   1HB   TYR  24          2HB       TYR  24  -8.540   4.429   4.429
  130   2HB   TYR  24          3HB       TYR  24  -9.307   3.889   3.889
  131    HD1  TYR  24           HD1      TYR  24  -8.839   7.474   7.474
  132    HD2  TYR  24           HD2      TYR  24 -11.563   4.174   4.174
  133    HE1  TYR  24           HE1      TYR  24 -10.775   9.070   9.070
  134    HE2  TYR  24           HE2      TYR  24 -13.488   5.782   5.782
  135    HH   TYR  24           HH       TYR  24 -13.349   8.947   8.947
  136    H    LYS  25           HN       LYS  25  -9.451   4.204   4.204
  137    HA   LYS  25           HA       LYS  25 -10.652   6.110   6.110
  138   1HB   LYS  25          2HB       LYS  25 -11.333   4.044   4.044
  139   2HB   LYS  25          3HB       LYS  25  -9.713   3.380   3.380
  140   1HG   LYS  25          2HG       LYS  25 -10.510   5.485   5.485
  141   2HG   LYS  25          3HG       LYS  25 -10.986   3.816   3.816
  142   1HD   LYS  25          2HD       LYS  25  -8.239   3.712   3.712
  143   2HD   LYS  25          3HD       LYS  25  -8.366   5.056   5.056
  144   1HE   LYS  25          2HE       LYS  25  -9.483   2.265   2.265
  145   2HE   LYS  25          3HE       LYS  25  -7.929   2.831   2.831
  146   1HZ   LYS  25          2HZ       LYS  25 -10.088   4.606   4.606
  147   2HZ   LYS  25          3HZ       LYS  25 -10.238   3.144   3.144
  148   3HZ   LYS  25          1HZ       LYS  25  -8.905   4.047   4.047
  149    H    LEU  26           HN       LEU  26  -7.347   4.859   4.859
  150    HA   LEU  26           HA       LEU  26  -6.973   6.721   6.721
  151   1HB   LEU  26          2HB       LEU  26  -5.712   4.772   4.772
  152   2HB   LEU  26          3HB       LEU  26  -5.211   4.874   4.874
  153    HG   LEU  26           HG       LEU  26  -3.689   6.688   6.688
  154   1HD1  LEU  26          2HD1      LEU  26  -5.230   6.840   6.840
  155   2HD1  LEU  26          3HD1      LEU  26  -3.470   7.016   7.016
  156   3HD1  LEU  26          1HD1      LEU  26  -4.360   8.104   8.104
  157   1HD2  LEU  26          1HD2      LEU  26  -2.984   4.315   4.315
  158   2HD2  LEU  26          2HD2      LEU  26  -2.059   5.521   5.521
  159   3HD2  LEU  26          3HD2      LEU  26  -3.312   4.549   4.549
  160    H    HIS  27           HN       HIS  27  -6.305   6.731   6.731
  161    HA   HIS  27           HA       HIS  27  -4.728   9.036   9.036
  162   1HB   HIS  27          2HB       HIS  27  -4.593   7.673   7.673
  163   2HB   HIS  27          3HB       HIS  27  -6.333   7.574   7.574
  164    HD1  HIS  27           HD1      HIS  27  -3.792  10.465  10.465
  165    HD2  HIS  27           HD2      HIS  27  -7.133   9.072   9.072
  166    HE1  HIS  27           HE1      HIS  27  -4.178  12.127  12.127
  167    HE2  HIS  27           HE2      HIS  27  -6.211  11.189  11.189
  168    H    GLU  28           HN       GLU  28  -8.279   8.492   8.492
  169    HA   GLU  28           HA       GLU  28  -8.874  11.156  11.156
  170   1HB   GLU  28          2HB       GLU  28 -11.039   9.837   9.837
  171   2HB   GLU  28          3HB       GLU  28 -10.937  10.285  10.285
  172   1HG   GLU  28          2HG       GLU  28  -9.556   8.192   8.192
  173   2HG   GLU  28          3HG       GLU  28  -9.830   7.731   7.731
  174    H    ASP  29           HN       ASP  29  -8.105   9.405   9.405
  175    HA   ASP  29           HA       ASP  29  -9.281  11.379  11.379
  176   1HB   ASP  29          2HB       ASP  29  -7.344   9.086   9.086
  177   2HB   ASP  29          3HB       ASP  29  -8.062  10.083  10.083
  178    H    GLY  30           HN       GLY  30  -6.280  10.820  10.820
  179   1HA   GLY  30          1HA       GLY  30  -4.479  12.171  12.171
  180   2HA   GLY  30          2HA       GLY  30  -5.170  13.307  13.307
  181    H    GLU  31           HN       GLU  31  -4.903   9.900   9.900
  182    HA   GLU  31           HA       GLU  31  -2.881  10.713  10.713
  183   1HB   GLU  31          2HB       GLU  31  -5.048   8.639   8.639
  184   2HB   GLU  31          3HB       GLU  31  -3.604   8.251   8.251
  185   1HG   GLU  31          2HG       GLU  31  -5.093  10.889  10.889
  186   2HG   GLU  31          3HG       GLU  31  -5.492   9.460   9.460
  187    H    THR  32           HN       THR  32  -1.466   8.560   8.560
  188    HA   THR  32           HA       THR  32  -0.566   7.322   7.322
  189    HB   THR  32           HB       THR  32   1.779   7.775   7.775
  190    HG1  THR  32           HG1      THR  32   1.243   7.855   7.855
  191   1HG2  THR  32          2HG2      THR  32  -0.145  10.119  10.119
  192   2HG2  THR  32          3HG2      THR  32   1.573  10.410  10.410
  193   3HG2  THR  32          1HG2      THR  32   1.108   9.607   9.607
  194    H    VAL  33           HN       VAL  33   1.245   5.571   5.571
  195    HA   VAL  33           HA       VAL  33   0.221   4.186   4.186
  196    HB   VAL  33           HB       VAL  33  -0.116   2.167   2.167
  197   1HG1  VAL  33          1HG1      VAL  33  -1.637   4.379   4.379
  198   2HG1  VAL  33          2HG1      VAL  33  -1.267   3.755   3.755
  199   3HG1  VAL  33          3HG1      VAL  33  -2.060   2.704   2.704
  200   1HG2  VAL  33          3HG2      VAL  33   1.126   3.438   3.438
  201   2HG2  VAL  33          1HG2      VAL  33   1.860   2.186   2.186
  202   3HG2  VAL  33          2HG2      VAL  33   0.406   1.813   1.813
  203    H    GLY  34           HN       GLY  34   1.849   3.414   3.414
  204   1HA   GLY  34          1HA       GLY  34   3.895   2.586   2.586
  205   2HA   GLY  34          2HA       GLY  34   4.362   2.592   2.592
  206    H    SER  35           HN       SER  35   6.408   3.575   3.575
  207    HA   SER  35           HA       SER  35   6.372   6.171   6.171
  208   1HB   SER  35          2HB       SER  35   8.644   4.356   4.356
  209   2HB   SER  35          3HB       SER  35   8.907   5.961   5.961
  210    HG   SER  35           HG       SER  35   7.393   4.977   4.977
  211    H    ASN  36           HN       ASN  36   6.115   4.728   4.728
  212    HA   ASN  36           HA       ASN  36   7.568   6.711   6.711
  213   1HB   ASN  36          2HB       ASN  36   6.019   4.256   4.256
  214   2HB   ASN  36          3HB       ASN  36   5.780   5.508   5.508
  215   1HD2  ASN  36          2HD2      ASN  36   8.602   3.684   3.684
  216   2HD2  ASN  36          1HD2      ASN  36   6.881   3.593   3.593
  217    H    SER  37           HN       SER  37   5.711   7.257   7.257
  218    HA   SER  37           HA       SER  37   3.625   8.711   8.711
  219   1HB   SER  37          2HB       SER  37   4.027  10.658  10.658
  220   2HB   SER  37          3HB       SER  37   5.655  10.042  10.042
  221    HG   SER  37           HG       SER  37   5.805   9.629   9.629
  222    H    TYR  38           HN       TYR  38   3.182   6.112   6.112
  223    HA   TYR  38           HA       TYR  38   1.962   6.395   6.395
  224   1HB   TYR  38          2HB       TYR  38   2.470   4.119   4.119
  225   2HB   TYR  38          3HB       TYR  38   1.652   3.851   3.851
  226    HD1  TYR  38           HD2      TYR  38   4.593   6.072   6.072
  227    HD2  TYR  38           HD1      TYR  38   3.167   2.391   2.391
  228    HE1  TYR  38           HE2      TYR  38   6.833   5.709   5.709
  229    HE2  TYR  38           HE1      TYR  38   5.412   2.040   2.040
  230    HH   TYR  38           HH       TYR  38   7.533   4.351   4.351
  231    HA   PRO  39           HA       PRO  39   0.602   5.382   5.382
  232   1HB   PRO  39          2HB       PRO  39  -1.546   6.269   6.269
  233   2HB   PRO  39          3HB       PRO  39  -1.400   4.625   4.625
  234   1HG   PRO  39          2HG       PRO  39  -3.098   6.816   6.816
  235   2HG   PRO  39          3HG       PRO  39  -3.240   5.092   5.092
  236   1HD   PRO  39          2HD       PRO  39  -2.199   7.049   7.049
  237   2HD   PRO  39          3HD       PRO  39  -2.234   5.312   5.312
  238    H    HIS  40           HN       HIS  40   0.489   6.812   6.812
  239    HA   HIS  40           HA       HIS  40   0.423   9.540   9.540
  240   1HB   HIS  40          2HB       HIS  40   2.722  10.204  10.204
  241   2HB   HIS  40          3HB       HIS  40   2.253   9.229   9.229
  242    HD1  HIS  40           HD1      HIS  40   4.450   9.169   9.169
  243    HD2  HIS  40           HD2      HIS  40   3.611   6.771   6.771
  244    HE1  HIS  40           HE1      HIS  40   6.248   7.360   7.360
  245    HE2  HIS  40           HE2      HIS  40   5.713   5.950   5.950
  246    H    LYS  41           HN       LYS  41   1.643  10.655  10.655
  247    HA   LYS  41           HA       LYS  41   0.849   9.584   9.584
  248   1HB   LYS  41          2HB       LYS  41   1.770  11.425  11.425
  249   2HB   LYS  41          3HB       LYS  41   2.036  11.893  11.893
  250   1HG   LYS  41          2HG       LYS  41   4.314  11.524  11.524
  251   2HG   LYS  41          3HG       LYS  41   4.150  10.131  10.131
  252   1HD   LYS  41          2HD       LYS  41   5.045  11.616  11.616
  253   2HD   LYS  41          3HD       LYS  41   3.348  11.988  11.988
  254   1HE   LYS  41          2HE       LYS  41   3.808  14.141  14.141
  255   2HE   LYS  41          3HE       LYS  41   4.121  13.606  13.606
  256   1HZ   LYS  41          1HZ       LYS  41   6.329  13.034  13.034
  257   2HZ   LYS  41          2HZ       LYS  41   5.937  14.611  14.611
  258   3HZ   LYS  41          3HZ       LYS  41   6.250  14.001  14.001
  259    H    TYR  42           HN       TYR  42   2.407   8.940   8.940
  260    HA   TYR  42           HA       TYR  42   4.608   7.280   7.280
  261   1HB   TYR  42          2HB       TYR  42   2.746   5.721   5.721
  262   2HB   TYR  42          3HB       TYR  42   1.911   6.362   6.362
  263    HD1  TYR  42           HD2      TYR  42   4.584   4.112   4.112
  264    HD2  TYR  42           HD1      TYR  42   2.509   5.649   5.649
  265    HE1  TYR  42           HE2      TYR  42   5.570   2.265   2.265
  266    HE2  TYR  42           HE1      TYR  42   3.502   3.795   3.795
  267    HH   TYR  42           HH       TYR  42   4.455   1.714   1.714
  268    H    ASN  43           HN       ASN  43   3.607   9.643   9.643
  269    HA   ASN  43           HA       ASN  43   3.559   9.675   9.675
  270   1HB   ASN  43          2HB       ASN  43   5.895  10.615  10.615
  271   2HB   ASN  43          3HB       ASN  43   6.196  10.547  10.547
  272   1HD2  ASN  43          2HD2      ASN  43   4.516  13.770  13.770
  273   2HD2  ASN  43          1HD2      ASN  43   5.669  12.704  12.704
  274    H    ASN  44           HN       ASN  44   3.495   7.486   7.486
  275    HA   ASN  44           HA       ASN  44   5.562   5.701   5.701
  276   1HB   ASN  44          2HB       ASN  44   4.403   4.515   4.515
  277   2HB   ASN  44          3HB       ASN  44   3.147   5.373   5.373
  278   1HD2  ASN  44          2HD2      ASN  44   4.213   6.370   6.370
  279   2HD2  ASN  44          1HD2      ASN  44   5.183   5.343   5.343
  280    H    TYR  45           HN       TYR  45   6.783   4.947   4.947
  281    HA   TYR  45           HA       TYR  45   7.320   6.793   6.793
  282   1HB   TYR  45          2HB       TYR  45   8.820   6.945   6.945
  283   2HB   TYR  45          3HB       TYR  45   9.855   6.901   6.901
  284    HD1  TYR  45           HD1      TYR  45   6.910   8.400   8.400
  285    HD2  TYR  45           HD2      TYR  45  10.332   9.219   9.219
  286    HE1  TYR  45           HE1      TYR  45   6.558  10.896  10.896
  287    HE2  TYR  45           HE2      TYR  45   9.970  11.712  11.712
  288    HH   TYR  45           HH       TYR  45   8.142  12.957  12.957
  289    H    GLU  46           HN       GLU  46   8.699   4.248   4.248
  290    HA   GLU  46           HA       GLU  46  10.595   3.204   3.204
  291   1HB   GLU  46          2HB       GLU  46   8.477   1.701   1.701
  292   2HB   GLU  46          3HB       GLU  46   9.937   0.951   0.951
  293   1HG   GLU  46          2HG       GLU  46  10.717   1.557   1.557
  294   2HG   GLU  46          3HG       GLU  46  11.115   3.029   3.029
  295    H    GLY  47           HN       GLY  47   7.189   3.364   3.364
  296   1HA   GLY  47          1HA       GLY  47   6.697   3.123   3.123
  297   2HA   GLY  47          2HA       GLY  47   7.666   1.663   1.663
  298    H    PHE  48           HN       PHE  48   5.001   3.030   3.030
  299    HA   PHE  48           HA       PHE  48   3.817   0.357   0.357
  300   1HB   PHE  48          2HB       PHE  48   3.483   2.926   2.926
  301   2HB   PHE  48          3HB       PHE  48   2.452   1.529   1.529
  302    HD1  PHE  48           HD2      PHE  48   3.471  -0.621  -0.621
  303    HD2  PHE  48           HD1      PHE  48   5.655   3.016   3.016
  304    HE1  PHE  48           HE2      PHE  48   5.149  -1.589  -1.589
  305    HE2  PHE  48           HE1      PHE  48   7.333   2.048   2.048
  306    HZ   PHE  48           HZ       PHE  48   7.059  -0.243  -0.243
  307    H    ASP  49           HN       ASP  49   1.756  -0.046  -0.046
  308    HA   ASP  49           HA       ASP  49   0.641   2.165   2.165
  309   1HB   ASP  49          2HB       ASP  49  -0.442  -0.639  -0.639
  310   2HB   ASP  49          3HB       ASP  49  -0.290   0.570   0.570
  311    H    PHE  50           HN       PHE  50  -0.169   3.004   3.004
  312    HA   PHE  50           HA       PHE  50  -2.128   1.456   1.456
  313   1HB   PHE  50          2HB       PHE  50  -1.282   4.414   4.414
  314   2HB   PHE  50          3HB       PHE  50  -2.432   3.775   3.775
  315    HD1  PHE  50           HD1      PHE  50  -0.504   1.068   1.068
  316    HD2  PHE  50           HD2      PHE  50  -0.115   5.111   5.111
  317    HE1  PHE  50           HE1      PHE  50   1.386   0.424   0.424
  318    HE2  PHE  50           HE2      PHE  50   1.775   4.467   4.467
  319    HZ   PHE  50           HZ       PHE  50   2.503   2.131   2.131
  320    H    SER  51           HN       SER  51  -4.168   1.094   1.094
  321    HA   SER  51           HA       SER  51  -5.221   2.687   2.687
  322   1HB   SER  51          2HB       SER  51  -7.181   1.199   1.199
  323   2HB   SER  51          3HB       SER  51  -5.697   0.269   0.269
  324    HG   SER  51           HG       SER  51  -7.340  -0.353  -0.353
  325    H    VAL  52           HN       VAL  52  -4.593   3.921   3.921
  326    HA   VAL  52           HA       VAL  52  -7.249   5.104   5.104
  327    HB   VAL  52           HB       VAL  52  -6.861   5.192   5.192
  328   1HG1  VAL  52          1HG1      VAL  52  -7.095   2.727   2.727
  329   2HG1  VAL  52          2HG1      VAL  52  -6.282   2.433   2.433
  330   3HG1  VAL  52          3HG1      VAL  52  -7.883   3.209   3.209
  331   1HG2  VAL  52          1HG2      VAL  52  -4.184   5.060   5.060
  332   2HG2  VAL  52          2HG2      VAL  52  -4.891   4.863   4.863
  333   3HG2  VAL  52          3HG2      VAL  52  -4.498   3.429   3.429
  334    H    SER  53           HN       SER  53  -7.234   7.363   7.363
  335    HA   SER  53           HA       SER  53  -4.877   8.644   8.644
  336   1HB   SER  53          2HB       SER  53  -7.611   9.722   9.722
  337   2HB   SER  53          3HB       SER  53  -6.324  10.725  10.725
  338    HG   SER  53           HG       SER  53  -8.129   9.492   9.492
  339    H    SER  54           HN       SER  54  -3.445   9.907   9.907
  340    HA   SER  54           HA       SER  54  -3.022   9.392   9.392
  341   1HB   SER  54          2HB       SER  54  -1.381  10.991  10.991
  342   2HB   SER  54          3HB       SER  54  -1.809  10.963  10.963
  343    HG   SER  54           HG       SER  54  -1.770  13.107  13.107
  344    HA   PRO  55           HA       PRO  55  -1.982  11.268  11.268
  345   1HB   PRO  55          2HB       PRO  55  -1.871  11.528  11.528
  346   2HB   PRO  55          3HB       PRO  55  -1.787  12.892  12.892
  347   1HG   PRO  55          2HG       PRO  55  -4.046  12.010  12.010
  348   2HG   PRO  55          3HG       PRO  55  -3.786  13.568  13.568
  349   1HD   PRO  55          2HD       PRO  55  -5.580  11.510  11.510
  350   2HD   PRO  55          3HD       PRO  55  -5.234  13.018  13.018
  351    H    TYR  56           HN       TYR  56  -0.511   9.636   9.636
  352    HA   TYR  56           HA       TYR  56  -1.931   7.160   7.160
  353   1HB   TYR  56          2HB       TYR  56   0.989   7.936   7.936
  354   2HB   TYR  56          3HB       TYR  56   0.414   6.282   6.282
  355    HD1  TYR  56           HD1      TYR  56  -2.169   6.490   6.490
  356    HD2  TYR  56           HD2      TYR  56   1.622   8.297   8.297
  357    HE1  TYR  56           HE1      TYR  56  -2.762   6.627   6.627
  358    HE2  TYR  56           HE2      TYR  56   1.015   8.428   8.428
  359    HH   TYR  56           HH       TYR  56  -2.138   7.974   7.974
  360    H    TYR  57           HN       TYR  57  -2.230   6.496   6.496
  361    HA   TYR  57           HA       TYR  57  -0.330   7.422   7.422
  362   1HB   TYR  57          2HB       TYR  57  -3.012   5.903   5.903
  363   2HB   TYR  57          3HB       TYR  57  -2.193   6.562   6.562
  364    HD1  TYR  57           HD2      TYR  57  -1.384   9.128   9.128
  365    HD2  TYR  57           HD1      TYR  57  -5.023   7.202   7.202
  366    HE1  TYR  57           HE2      TYR  57  -2.644  11.317  11.317
  367    HE2  TYR  57           HE1      TYR  57  -6.272   9.397   9.397
  368    HH   TYR  57           HH       TYR  57  -6.086  11.433  11.433
  369    H    GLU  58           HN       GLU  58   1.299   6.116   6.116
  370    HA   GLU  58           HA       GLU  58   1.159   3.348   3.348
  371   1HB   GLU  58          2HB       GLU  58   3.534   3.290   3.290
  372   2HB   GLU  58          3HB       GLU  58   3.245   4.547   4.547
  373   1HG   GLU  58          2HG       GLU  58   2.958   6.198   6.198
  374   2HG   GLU  58          3HG       GLU  58   3.430   4.924   4.924
  375    H    TRP  59           HN       TRP  59   0.631   1.683   1.683
  376    HA   TRP  59           HA       TRP  59   0.931   2.111   2.111
  377   1HB   TRP  59          2HB       TRP  59  -1.300   2.847   2.847
  378   2HB   TRP  59          3HB       TRP  59  -1.683   1.532   1.532
  379    HD1  TRP  59           HD1      TRP  59  -2.491  -0.757  -0.757
  380    HE1  TRP  59           HE1      TRP  59  -3.052  -1.600  -1.600
  381    HE3  TRP  59           HE3      TRP  59  -0.452   3.227   3.227
  382    HZ2  TRP  59           HZ2      TRP  59  -2.591  -0.531  -0.531
  383    HZ3  TRP  59           HZ3      TRP  59  -0.549   3.250   3.250
  384    HH2  TRP  59           HH2      TRP  59  -1.573   1.456   1.456
  385    HA   PRO  60           HA       PRO  60   2.182  -2.029  -2.029
  386   1HB   PRO  60          2HB       PRO  60   2.054  -2.871  -2.871
  387   2HB   PRO  60          3HB       PRO  60   3.389  -1.932  -1.932
  388   1HG   PRO  60          2HG       PRO  60   1.181  -1.056  -1.056
  389   2HG   PRO  60          3HG       PRO  60   2.722  -0.276  -0.276
  390   1HD   PRO  60          2HD       PRO  60   0.177   0.484   0.484
  391   2HD   PRO  60          3HD       PRO  60   1.733   1.189   1.189
  392    H    ILE  61           HN       ILE  61   1.591  -4.276  -4.276
  393    HA   ILE  61           HA       ILE  61  -1.295  -4.547  -4.547
  394    HB   ILE  61           HB       ILE  61  -0.585  -4.323  -4.323
  395   1HG1  ILE  61          2HG1      ILE  61  -1.970  -6.933  -6.933
  396   2HG1  ILE  61          3HG1      ILE  61  -2.723  -5.378  -5.378
  397   1HG2  ILE  61          1HG2      ILE  61   1.483  -5.698  -5.698
  398   2HG2  ILE  61          2HG2      ILE  61   0.453  -7.139  -7.139
  399   3HG2  ILE  61          3HG2      ILE  61   0.421  -6.196  -6.196
  400   1HD1  ILE  61          1HD1      ILE  61  -1.494  -5.760  -5.760
  401   2HD1  ILE  61          2HD1      ILE  61  -2.969  -6.692  -6.692
  402   3HD1  ILE  61          3HD1      ILE  61  -2.992  -4.915  -4.915
  403    H    LEU  62           HN       LEU  62  -1.726  -6.003  -6.003
  404    HA   LEU  62           HA       LEU  62   0.392  -7.857  -7.857
  405   1HB   LEU  62          2HB       LEU  62  -2.175  -7.012  -7.012
  406   2HB   LEU  62          3HB       LEU  62  -1.147  -8.294  -8.294
  407    HG   LEU  62           HG       LEU  62  -0.061  -5.522  -5.522
  408   1HD1  LEU  62          1HD1      LEU  62  -2.165  -5.628  -5.628
  409   2HD1  LEU  62          2HD1      LEU  62  -1.052  -6.367  -6.367
  410   3HD1  LEU  62          3HD1      LEU  62  -0.723  -4.737  -4.737
  411   1HD2  LEU  62          2HD2      LEU  62   0.865  -8.007  -8.007
  412   2HD2  LEU  62          3HD2      LEU  62   1.771  -6.800  -6.800
  413   3HD2  LEU  62          1HD2      LEU  62   1.311  -6.451  -6.451
  414    H    SER  63           HN       SER  63   0.438  -9.887  -9.887
  415    HA   SER  63           HA       SER  63  -1.595 -10.814 -10.814
  416   1HB   SER  63          2HB       SER  63   0.367 -12.673 -12.673
  417   2HB   SER  63          3HB       SER  63  -0.256 -12.747 -12.747
  418    HG   SER  63           HG       SER  63   1.889 -11.982 -11.982
  419    H    SER  64           HN       SER  64  -1.576 -10.449 -10.449
  420    HA   SER  64           HA       SER  64  -3.013 -12.888 -12.888
  421   1HB   SER  64          2HB       SER  64  -2.706 -10.711 -10.711
  422   2HB   SER  64          3HB       SER  64  -2.655 -12.449 -12.449
  423    HG   SER  64           HG       SER  64  -0.602 -10.766 -10.766
  424    H    GLY  65           HN       GLY  65  -3.594  -9.624  -9.624
  425   1HA   GLY  65          1HA       GLY  65  -5.612  -8.731  -8.731
  426   2HA   GLY  65          2HA       GLY  65  -6.459 -10.016 -10.016
  427    H    ASP  66           HN       ASP  66  -3.856  -7.928  -7.928
  428    HA   ASP  66           HA       ASP  66  -5.856  -6.978  -6.978
  429   1HB   ASP  66          2HB       ASP  66  -2.825  -7.270  -7.270
  430   2HB   ASP  66          3HB       ASP  66  -3.802  -6.466  -6.466
  431    H    VAL  67           HN       VAL  67  -4.440  -4.778  -4.778
  432    HA   VAL  67           HA       VAL  67  -4.007  -3.086  -3.086
  433    HB   VAL  67           HB       VAL  67  -5.556  -2.659  -2.659
  434   1HG1  VAL  67          2HG1      VAL  67  -4.323  -0.459  -0.459
  435   2HG1  VAL  67          3HG1      VAL  67  -5.570  -0.218  -0.218
  436   3HG1  VAL  67          1HG1      VAL  67  -3.959  -0.825  -0.825
  437   1HG2  VAL  67          1HG2      VAL  67  -6.046  -2.628  -2.628
  438   2HG2  VAL  67          2HG2      VAL  67  -7.133  -3.046  -3.046
  439   3HG2  VAL  67          3HG2      VAL  67  -6.856  -1.340  -1.340
  440    H    TYR  68           HN       TYR  68  -1.833  -2.810  -2.810
  441    HA   TYR  68           HA       TYR  68   0.059  -3.210  -3.210
  442   1HB   TYR  68          2HB       TYR  68   0.710  -2.689  -2.689
  443   2HB   TYR  68          3HB       TYR  68  -0.366  -1.310  -1.310
  444    HD1  TYR  68           HD2      TYR  68   2.593  -2.369  -2.369
  445    HD2  TYR  68           HD1      TYR  68   0.663   0.758   0.758
  446    HE1  TYR  68           HE2      TYR  68   4.541  -0.811  -0.811
  447    HE2  TYR  68           HE1      TYR  68   2.618   2.305   2.305
  448    HH   TYR  68           HH       TYR  68   4.358   2.483   2.483
  449    H    SER  69           HN       SER  69   1.006  -2.139  -2.139
  450    HA   SER  69           HA       SER  69  -0.188   0.448   0.448
  451   1HB   SER  69          2HB       SER  69   0.069  -0.191  -0.191
  452   2HB   SER  69          3HB       SER  69  -1.115  -1.145  -1.145
  453    HG   SER  69           HG       SER  69   0.811  -2.689  -2.689
  454    H    GLY  70           HN       GLY  70   2.513  -1.712  -1.712
  455   1HA   GLY  70          1HA       GLY  70   4.273   0.148   0.148
  456   2HA   GLY  70          2HA       GLY  70   4.739  -1.352  -1.352
  457    H    GLY  71           HN       GLY  71   6.628  -0.279  -0.279
  458   1HA   GLY  71          1HA       GLY  71   5.962   1.568   1.568
  459   2HA   GLY  71          2HA       GLY  71   7.443   1.624   1.624
  460    H    SER  72           HN       SER  72   7.003  -1.599  -1.599
  461    HA   SER  72           HA       SER  72   8.344  -1.838  -1.838
  462   1HB   SER  72          2HB       SER  72   9.565  -3.770  -3.770
  463   2HB   SER  72          3HB       SER  72   9.863  -2.308  -2.308
  464    HG   SER  72           HG       SER  72   9.290  -3.519  -3.519
  465    HA   PRO  73           HA       PRO  73   4.548  -4.265  -4.265
  466   1HB   PRO  73          2HB       PRO  73   3.851  -3.495  -3.495
  467   2HB   PRO  73          3HB       PRO  73   3.270  -2.688  -2.688
  468   1HG   PRO  73          2HG       PRO  73   5.329  -1.792  -1.792
  469   2HG   PRO  73          3HG       PRO  73   4.441  -0.846  -0.846
  470   1HD   PRO  73          2HD       PRO  73   7.159  -1.739  -1.739
  471   2HD   PRO  73          3HD       PRO  73   6.234  -0.893  -0.893
  472    H    GLY  74           HN       GLY  74   6.620  -3.796  -3.796
  473   1HA   GLY  74          1HA       GLY  74   8.026  -5.981  -5.981
  474   2HA   GLY  74          2HA       GLY  74   6.451  -6.685  -6.685
  475    H    ALA  75           HN       ALA  75   8.330  -6.907  -6.907
  476    HA   ALA  75           HA       ALA  75   8.623  -4.881  -4.881
  477   1HB   ALA  75          2HB       ALA  75   9.338  -7.487  -7.487
  478   2HB   ALA  75          3HB       ALA  75   8.043  -7.601  -7.601
  479   3HB   ALA  75          1HB       ALA  75   9.437  -6.530  -6.530
  480    H    ASP  76           HN       ASP  76   5.854  -7.177  -7.177
  481    HA   ASP  76           HA       ASP  76   4.459  -6.361  -6.361
  482   1HB   ASP  76          2HB       ASP  76   3.147  -7.099  -7.099
  483   2HB   ASP  76          3HB       ASP  76   2.541  -7.409  -7.409
  484    H    ARG  77           HN       ARG  77   3.340  -4.445  -4.445
  485    HA   ARG  77           HA       ARG  77   2.309  -2.939  -2.939
  486   1HB   ARG  77          2HB       ARG  77   4.180  -1.660  -1.660
  487   2HB   ARG  77          3HB       ARG  77   3.363  -0.815  -0.815
  488   1HG   ARG  77          2HG       ARG  77   5.018  -3.179  -3.179
  489   2HG   ARG  77          3HG       ARG  77   5.907  -1.797  -1.797
  490   1HD   ARG  77          2HD       ARG  77   3.913  -0.756  -0.756
  491   2HD   ARG  77          3HD       ARG  77   4.630  -2.134  -2.134
  492    HE   ARG  77           HE       ARG  77   6.085   0.304   0.304
  493   1HH1  ARG  77           HH2      ARG  77   6.112  -2.773  -2.773
  494   2HH1  ARG  77           HH2      ARG  77   7.629  -2.473  -2.473
  495   1HH2  ARG  77           HH1      ARG  77   8.087   0.701   0.701
  496   2HH2  ARG  77           HH1      ARG  77   8.760  -0.483  -0.483
  497    H    VAL  78           HN       VAL  78   0.537  -1.544  -1.544
  498    HA   VAL  78           HA       VAL  78  -0.328  -2.008  -2.008
  499    HB   VAL  78           HB       VAL  78  -1.938  -3.002  -3.002
  500   1HG1  VAL  78          1HG1      VAL  78  -1.581  -0.828  -0.828
  501   2HG1  VAL  78          2HG1      VAL  78  -2.734  -2.180  -2.180
  502   3HG1  VAL  78          3HG1      VAL  78  -0.983  -2.501  -2.501
  503   1HG2  VAL  78          2HG2      VAL  78  -2.767  -0.095  -0.095
  504   2HG2  VAL  78          3HG2      VAL  78  -3.106  -1.424  -1.424
  505   3HG2  VAL  78          1HG2      VAL  78  -3.881  -1.402  -1.402
  506    H    VAL  79           HN       VAL  79  -0.998  -0.252  -0.252
  507    HA   VAL  79           HA       VAL  79  -0.500   2.374   2.374
  508    HB   VAL  79           HB       VAL  79   0.146   1.362   1.362
  509   1HG1  VAL  79          1HG1      VAL  79  -0.733   3.890   3.890
  510   2HG1  VAL  79          2HG1      VAL  79   1.020   4.080   4.080
  511   3HG1  VAL  79          3HG1      VAL  79   0.401   3.468   3.468
  512   1HG2  VAL  79          3HG2      VAL  79   1.797   2.117   2.117
  513   2HG2  VAL  79          1HG2      VAL  79   1.888   0.661   0.661
  514   3HG2  VAL  79          2HG2      VAL  79   2.474   2.223   2.223
  515    H    PHE  80           HN       PHE  80  -2.074   3.929   3.929
  516    HA   PHE  80           HA       PHE  80  -4.113   3.502   3.502
  517   1HB   PHE  80          2HB       PHE  80  -5.906   3.323   3.323
  518   2HB   PHE  80          3HB       PHE  80  -4.674   2.224   2.224
  519    HD1  PHE  80           HD2      PHE  80  -2.934   3.337   3.337
  520    HD2  PHE  80           HD1      PHE  80  -6.837   4.815   4.815
  521    HE1  PHE  80           HE2      PHE  80  -2.912   4.541   4.541
  522    HE2  PHE  80           HE1      PHE  80  -6.815   6.019   6.019
  523    HZ   PHE  80           HZ       PHE  80  -4.853   5.869   5.869
  524    H    ASN  81           HN       ASN  81  -5.657   5.402   5.402
  525    HA   ASN  81           HA       ASN  81  -4.173   7.768   7.768
  526   1HB   ASN  81          2HB       ASN  81  -4.805   8.701   8.701
  527   2HB   ASN  81          3HB       ASN  81  -5.198   7.059   7.059
  528   1HD2  ASN  81          2HD2      ASN  81  -8.731   7.357   7.357
  529   2HD2  ASN  81          1HD2      ASN  81  -7.392   6.274   6.274
  530    H    GLU  82           HN       GLU  82  -7.437   8.279   8.279
  531    HA   GLU  82           HA       GLU  82  -8.352   9.637   9.637
  532   1HB   GLU  82          2HB       GLU  82  -9.662   9.362   9.362
  533   2HB   GLU  82          3HB       GLU  82  -9.879   7.648   7.648
  534   1HG   GLU  82          2HG       GLU  82 -11.631   8.000   8.000
  535   2HG   GLU  82          3HG       GLU  82 -10.789   9.272   9.272
  536    H    ASN  83           HN       ASN  83  -9.063   6.076   6.076
  537    HA   ASN  83           HA       ASN  83  -8.496   5.701   5.701
  538   1HB   ASN  83          2HB       ASN  83 -10.971   4.645   4.645
  539   2HB   ASN  83          3HB       ASN  83 -10.656   6.321   6.321
  540   1HD2  ASN  83          2HD2      ASN  83 -11.842   6.010   6.010
  541   2HD2  ASN  83          1HD2      ASN  83 -10.391   5.292   5.292
  542    H    ASN  84           HN       ASN  84 -10.964   4.150   4.150
  543    HA   ASN  84           HA       ASN  84  -9.571   1.669   1.669
  544   1HB   ASN  84          2HB       ASN  84 -11.535   0.682   0.682
  545   2HB   ASN  84          3HB       ASN  84 -12.159   2.049   2.049
  546   1HD2  ASN  84          2HD2      ASN  84 -13.125   3.996   3.996
  547   2HD2  ASN  84          1HD2      ASN  84 -12.654   4.009   4.009
  548    H    GLN  85           HN       GLN  85  -8.423   4.063   4.063
  549    HA   GLN  85           HA       GLN  85  -8.612   3.242   3.242
  550   1HB   GLN  85          2HB       GLN  85  -6.543   5.146   5.146
  551   2HB   GLN  85          3HB       GLN  85  -8.193   5.445   5.445
  552   1HG   GLN  85          2HG       GLN  85  -7.383   6.852   6.852
  553   2HG   GLN  85          3HG       GLN  85  -8.897   6.007   6.007
  554   1HE2  GLN  85          2HE2      GLN  85  -7.492   3.467   3.467
  555   2HE2  GLN  85          1HE2      GLN  85  -8.566   3.663   3.663
  556    H    LEU  86           HN       LEU  86  -7.547   1.269   1.269
  557    HA   LEU  86           HA       LEU  86  -5.001   0.928   0.928
  558   1HB   LEU  86          2HB       LEU  86  -5.887  -1.052  -1.052
  559   2HB   LEU  86          3HB       LEU  86  -7.176  -0.799  -0.799
  560    HG   LEU  86           HG       LEU  86  -5.141  -1.363  -1.363
  561   1HD1  LEU  86          2HD1      LEU  86  -3.930  -1.881  -1.881
  562   2HD1  LEU  86          3HD1      LEU  86  -4.528  -3.489  -3.489
  563   3HD1  LEU  86          1HD1      LEU  86  -3.459  -2.579  -2.579
  564   1HD2  LEU  86          2HD2      LEU  86  -7.129  -3.160  -3.160
  565   2HD2  LEU  86          3HD2      LEU  86  -7.184  -2.463  -2.463
  566   3HD2  LEU  86          1HD2      LEU  86  -6.036  -3.771  -3.771
  567    H    ALA  87           HN       ALA  87  -3.176   1.533   1.533
  568    HA   ALA  87           HA       ALA  87  -3.171   2.026   2.026
  569   1HB   ALA  87          1HB       ALA  87  -1.582   2.627   2.627
  570   2HB   ALA  87          2HB       ALA  87  -0.522   1.853   1.853
  571   3HB   ALA  87          3HB       ALA  87  -1.451   3.307   3.307
  572    H    GLY  88           HN       GLY  88  -2.126  -0.638  -0.638
  573   1HA   GLY  88          1HA       GLY  88  -2.351  -2.665  -2.665
  574   2HA   GLY  88          2HA       GLY  88  -0.734  -2.051  -2.051
  575    H    VAL  89           HN       VAL  89   0.599  -3.584  -3.584
  576    HA   VAL  89           HA       VAL  89   0.422  -3.838  -3.838
  577    HB   VAL  89           HB       VAL  89   0.244  -6.178  -6.178
  578   1HG1  VAL  89          2HG1      VAL  89   1.691  -6.093  -6.093
  579   2HG1  VAL  89          3HG1      VAL  89   0.142  -6.851  -6.851
  580   3HG1  VAL  89          1HG1      VAL  89   1.135  -7.547  -7.547
  581   1HG2  VAL  89          2HG2      VAL  89  -1.624  -4.921  -4.921
  582   2HG2  VAL  89          3HG2      VAL  89  -1.943  -5.488  -5.488
  583   3HG2  VAL  89          1HG2      VAL  89  -1.731  -6.664  -6.664
  584    H    ILE  90           HN       ILE  90   2.361  -2.653  -2.653
  585    HA   ILE  90           HA       ILE  90   4.601  -3.563  -3.563
  586    HB   ILE  90           HB       ILE  90   5.758  -1.671  -1.671
  587   1HG1  ILE  90          2HG1      ILE  90   3.519  -1.672  -1.672
  588   2HG1  ILE  90          3HG1      ILE  90   5.241  -1.471  -1.471
  589   1HG2  ILE  90          2HG2      ILE  90   3.844  -1.504  -1.504
  590   2HG2  ILE  90          3HG2      ILE  90   3.035  -0.548  -0.548
  591   3HG2  ILE  90          1HG2      ILE  90   4.626  -0.042  -0.042
  592   1HD1  ILE  90          3HD1      ILE  90   3.981   0.640   0.640
  593   2HD1  ILE  90          1HD1      ILE  90   3.444   0.598   0.598
  594   3HD1  ILE  90          2HD1      ILE  90   5.171   0.792   0.792
  595    H    THR  91           HN       THR  91   6.753  -3.947  -3.947
  596    HA   THR  91           HA       THR  91   6.632  -4.873  -4.873
  597    HB   THR  91           HB       THR  91   5.595  -6.857  -6.857
  598    HG1  THR  91           HG1      THR  91   7.622  -8.292  -8.292
  599   1HG2  THR  91          2HG2      THR  91   5.736  -6.307  -6.307
  600   2HG2  THR  91          3HG2      THR  91   7.446  -6.798  -6.798
  601   3HG2  THR  91          1HG2      THR  91   6.170  -7.994  -7.994
  602    H    HIS  92           HN       HIS  92   8.686  -5.221  -5.221
  603    HA   HIS  92           HA       HIS  92  10.739  -3.882  -3.882
  604   1HB   HIS  92          2HB       HIS  92  10.473  -5.216  -5.216
  605   2HB   HIS  92          3HB       HIS  92  12.071  -4.814  -4.814
  606    HD1  HIS  92           HD1      HIS  92  12.633  -2.861  -2.861
  607    HD2  HIS  92           HD2      HIS  92   8.919  -2.429  -2.429
  608    HE1  HIS  92           HE1      HIS  92  11.837  -0.493  -0.493
  609    HE2  HIS  92           HE2      HIS  92   9.577  -0.268  -0.268
  610    H    THR  93           HN       THR  93   9.553  -6.456  -6.456
  611    HA   THR  93           HA       THR  93  11.173  -8.626  -8.626
  612    HB   THR  93           HB       THR  93   9.530  -7.336  -7.336
  613    HG1  THR  93           HG1      THR  93   9.753  -9.951  -9.951
  614   1HG2  THR  93          1HG2      THR  93  11.718  -9.298  -9.298
  615   2HG2  THR  93          2HG2      THR  93  10.119  -9.879  -9.879
  616   3HG2  THR  93          3HG2      THR  93  10.778  -8.366  -8.366
  617    H    GLY  94           HN       GLY  94  13.321  -8.028  -8.028
  618   1HA   GLY  94          1HA       GLY  94  15.418  -7.230  -7.230
  619   2HA   GLY  94          2HA       GLY  94  15.244  -8.303  -8.303
  620    H    ALA  95           HN       ALA  95  13.365  -5.279  -5.279
  621    HA   ALA  95           HA       ALA  95  13.589  -4.325  -4.325
  622   1HB   ALA  95          1HB       ALA  95  12.789  -3.366  -3.366
  623   2HB   ALA  95          2HB       ALA  95  13.633  -2.071  -2.071
  624   3HB   ALA  95          3HB       ALA  95  12.211  -2.862  -2.862
  625    H    SER  96           HN       SER  96  14.792  -2.172  -2.172
  626    HA   SER  96           HA       SER  96  17.513  -2.816  -2.816
  627   1HB   SER  96          2HB       SER  96  16.673  -1.684  -1.684
  628   2HB   SER  96          3HB       SER  96  15.903  -0.434  -0.434
  629    HG   SER  96           HG       SER  96  18.760  -0.773  -0.773
  630    H    GLY  97           HN       GLY  97  15.876  -1.986  -1.986
  631   1HA   GLY  97          1HA       GLY  97  17.836  -1.224  -1.224
  632   2HA   GLY  97          2HA       GLY  97  17.397   0.308   0.308
  633    H    ASN  98           HN       ASN  98  16.024   1.460   1.460
  634    HA   ASN  98           HA       ASN  98  14.313  -0.012  -0.012
  635   1HB   ASN  98          2HB       ASN  98  15.497   1.890   1.890
  636   2HB   ASN  98          3HB       ASN  98  14.983   2.953   2.953
  637   1HD2  ASN  98          2HD2      ASN  98  11.817   1.594   1.594
  638   2HD2  ASN  98          1HD2      ASN  98  12.912   0.526   0.526
  639    H    ASN  99           HN       ASN  99  14.188   0.915   0.915
  640    HA   ASN  99           HA       ASN  99  11.847   2.369   2.369
  641   1HB   ASN  99          2HB       ASN  99  11.827   1.532   1.532
  642   2HB   ASN  99          3HB       ASN  99  13.408   2.116   2.116
  643   1HD2  ASN  99          2HD2      ASN  99  15.064  -0.982  -0.982
  644   2HD2  ASN  99          1HD2      ASN  99  15.064   0.648   0.648
  645    H    PHE 100           HN       PHE 100  10.282   0.759   0.759
  646    HA   PHE 100           HA       PHE 100   9.514  -1.579  -1.579
  647   1HB   PHE 100          2HB       PHE 100   7.873   0.887   0.887
  648   2HB   PHE 100          3HB       PHE 100   7.067  -0.650  -0.650
  649    HD1  PHE 100           HD2      PHE 100   7.523  -1.838  -1.838
  650    HD2  PHE 100           HD1      PHE 100   8.215   2.290   2.290
  651    HE1  PHE 100           HE2      PHE 100   7.420  -1.403  -1.403
  652    HE2  PHE 100           HE1      PHE 100   8.111   2.726   2.726
  653    HZ   PHE 100           HZ       PHE 100   7.716   0.874   0.874
  654    H    VAL 101           HN       VAL 101   7.641  -2.778  -2.778
  655    HA   VAL 101           HA       VAL 101   7.636  -2.333  -2.333
  656    HB   VAL 101           HB       VAL 101   8.656  -4.497  -4.497
  657   1HG1  VAL 101          2HG1      VAL 101   9.913  -2.293  -2.293
  658   2HG1  VAL 101          3HG1      VAL 101  10.629  -2.801  -2.801
  659   3HG1  VAL 101          1HG1      VAL 101  10.918  -3.760  -3.760
  660   1HG2  VAL 101          3HG2      VAL 101   8.458  -5.048  -5.048
  661   2HG2  VAL 101          1HG2      VAL 101   9.284  -6.034  -6.034
  662   3HG2  VAL 101          2HG2      VAL 101  10.203  -4.840  -4.840
  663    H    GLU 102           HN       GLU 102   5.746  -3.134  -3.134
  664    HA   GLU 102           HA       GLU 102   3.817  -4.035  -4.035
  665   1HB   GLU 102          2HB       GLU 102   2.838  -4.846  -4.846
  666   2HB   GLU 102          3HB       GLU 102   2.769  -3.193  -3.193
  667   1HG   GLU 102          2HG       GLU 102   4.631  -2.512  -2.512
  668   2HG   GLU 102          3HG       GLU 102   5.242  -4.146  -4.146
  669    H    CYS 103           HN       CYS 103   3.308  -6.028  -6.028
  670    HA   CYS 103           HA       CYS 103   5.019  -8.159  -8.159
  671   1HB   CYS 103          2HB       CYS 103   2.104  -8.230  -8.230
  672   2HB   CYS 103          3HB       CYS 103   3.287  -9.488  -9.488
  673    H    THR 104           HN       THR 104   3.262 -10.415 -10.415
  674    HA   THR 104           HA       THR 104   2.898 -10.084 -10.084
  675    HB   THR 104           HB       THR 104   3.437 -12.487 -12.487
  676    HG1  THR 104           HG1      THR 104   4.011 -13.372 -13.372
  677   1HG2  THR 104          2HG2      THR 104   5.269 -10.881 -10.881
  678   2HG2  THR 104          3HG2      THR 104   5.666 -12.537 -12.537
  679   3HG2  THR 104          1HG2      THR 104   5.506 -11.239 -11.239

  Start of MODEL   31
    1    H    ALA   1           HN       ALA   1  -7.966 -16.408 -16.408
    2    HA   ALA   1           HA       ALA   1  -9.217 -13.984 -13.984
    3   1HB   ALA   1          2HB       ALA   1 -10.704 -14.880 -14.880
    4   2HB   ALA   1          3HB       ALA   1  -9.292 -14.688 -14.688
    5   3HB   ALA   1          1HB       ALA   1  -9.993 -13.269 -13.269
    6    H    CYS   2           HN       CYS   2  -6.934 -14.167 -14.167
    7    HA   CYS   2           HA       CYS   2  -5.218 -12.759 -12.759
    8   1HB   CYS   2          2HB       CYS   2  -3.526 -14.891 -14.891
    9   2HB   CYS   2          3HB       CYS   2  -3.991 -14.368 -14.368
   10    H    ASP   3           HN       ASP   3  -4.229 -11.309 -11.309
   11    HA   ASP   3           HA       ASP   3  -3.570 -12.275 -12.275
   12   1HB   ASP   3          2HB       ASP   3  -5.374 -10.022 -10.022
   13   2HB   ASP   3          3HB       ASP   3  -4.199  -9.627  -9.627
   14    H    TYR   4           HN       TYR   4  -2.705 -10.853 -10.853
   15    HA   TYR   4           HA       TYR   4  -0.324  -9.637  -9.637
   16   1HB   TYR   4          2HB       TYR   4  -2.127  -8.659  -8.659
   17   2HB   TYR   4          3HB       TYR   4  -0.603  -7.902  -7.902
   18    HD1  TYR   4           HD2      TYR   4  -0.376  -6.964  -6.964
   19    HD2  TYR   4           HD1      TYR   4  -4.118  -7.940  -7.940
   20    HE1  TYR   4           HE2      TYR   4  -1.585  -5.461  -5.461
   21    HE2  TYR   4           HE1      TYR   4  -5.315  -6.435  -6.435
   22    HH   TYR   4           HH       TYR   4  -4.362  -5.605  -5.605
   23    H    THR   5           HN       THR   5   1.018 -11.395 -11.395
   24    HA   THR   5           HA       THR   5   1.081 -12.163 -12.163
   25    HB   THR   5           HB       THR   5   2.034 -13.462 -13.462
   26    HG1  THR   5           HG1      THR   5  -0.233 -13.647 -13.647
   27   1HG2  THR   5          3HG2      THR   5   3.169 -13.803 -13.803
   28   2HG2  THR   5          1HG2      THR   5   2.098 -15.196 -15.196
   29   3HG2  THR   5          2HG2      THR   5   3.415 -14.838 -14.838
   30    H    CYS   6           HN       CYS   6   2.339 -10.825 -10.825
   31    HA   CYS   6           HA       CYS   6   4.645  -9.644  -9.644
   32   1HB   CYS   6          2HB       CYS   6   3.322  -9.457  -9.457
   33   2HB   CYS   6          3HB       CYS   6   4.958  -8.863  -8.863
   34    H    GLY   7           HN       GLY   7   5.367 -12.051 -12.051
   35   1HA   GLY   7          1HA       GLY   7   7.019 -13.550 -13.550
   36   2HA   GLY   7          2HA       GLY   7   7.501 -12.671 -12.671
   37    H    SER   8           HN       SER   8   5.401 -12.772 -12.772
   38    HA   SER   8           HA       SER   8   4.678 -15.586 -15.586
   39   1HB   SER   8          2HB       SER   8   5.359 -15.814 -15.814
   40   2HB   SER   8          3HB       SER   8   6.687 -14.966 -14.966
   41    HG   SER   8           HG       SER   8   5.170 -12.989 -12.989
   42    H    ASN   9           HN       ASN   9   2.880 -13.869 -13.869
   43    HA   ASN   9           HA       ASN   9   1.036 -13.529 -13.529
   44   1HB   ASN   9          2HB       ASN   9   1.403 -11.467 -11.467
   45   2HB   ASN   9          3HB       ASN   9   0.288 -11.339 -11.339
   46   1HD2  ASN   9          2HD2      ASN   9   4.375 -11.053 -11.053
   47   2HD2  ASN   9          1HD2      ASN   9   3.736 -12.080 -12.080
   48    H    CYS  10           HN       CYS  10  -1.215 -12.660 -12.660
   49    HA   CYS  10           HA       CYS  10  -1.558 -13.666 -13.666
   50   1HB   CYS  10          2HB       CYS  10  -1.323 -15.779 -15.779
   51   2HB   CYS  10          3HB       CYS  10  -3.053 -15.508 -15.508
   52    H    TYR  11           HN       TYR  11  -2.251 -11.277 -11.277
   53    HA   TYR  11           HA       TYR  11  -5.113 -11.469 -11.469
   54   1HB   TYR  11          2HB       TYR  11  -4.415  -9.011  -9.011
   55   2HB   TYR  11          3HB       TYR  11  -4.174 -10.423 -10.423
   56    HD1  TYR  11           HD2      TYR  11  -2.146  -9.378  -9.378
   57    HD2  TYR  11           HD1      TYR  11  -2.303  -9.814  -9.814
   58    HE1  TYR  11           HE2      TYR  11   0.337  -8.850  -8.850
   59    HE2  TYR  11           HE1      TYR  11   0.180  -9.284  -9.284
   60    HH   TYR  11           HH       TYR  11   1.810  -7.868  -7.868
   61    H    SER  12           HN       SER  12  -5.988 -11.238 -11.238
   62    HA   SER  12           HA       SER  12  -4.865  -9.613  -9.613
   63   1HB   SER  12          2HB       SER  12  -7.091  -9.876  -9.876
   64   2HB   SER  12          3HB       SER  12  -6.394 -11.392 -11.392
   65    HG   SER  12           HG       SER  12  -8.171 -11.721 -11.721
   66    H    SER  13           HN       SER  13  -6.556  -7.830  -7.830
   67    HA   SER  13           HA       SER  13  -6.328  -5.621  -5.621
   68   1HB   SER  13          2HB       SER  13  -8.334  -4.803  -4.803
   69   2HB   SER  13          3HB       SER  13  -6.733  -5.093  -5.093
   70    HG   SER  13           HG       SER  13  -8.932  -6.185  -6.185
   71    H    SER  14           HN       SER  14  -8.552  -8.249  -8.249
   72    HA   SER  14           HA       SER  14 -10.605  -6.686  -6.686
   73   1HB   SER  14          2HB       SER  14 -11.133  -8.742  -8.742
   74   2HB   SER  14          3HB       SER  14 -10.193  -9.705  -9.705
   75    HG   SER  14           HG       SER  14 -12.030  -9.904  -9.904
   76    H    ASP  15           HN       ASP  15  -7.717  -8.513  -8.513
   77    HA   ASP  15           HA       ASP  15  -8.499  -8.654  -8.654
   78   1HB   ASP  15          2HB       ASP  15  -6.148  -9.477  -9.477
   79   2HB   ASP  15          3HB       ASP  15  -5.815  -9.177  -9.177
   80    H    VAL  16           HN       VAL  16  -6.342  -6.730  -6.730
   81    HA   VAL  16           HA       VAL  16  -4.937  -5.330  -5.330
   82    HB   VAL  16           HB       VAL  16  -5.839  -4.544  -4.544
   83   1HG1  VAL  16          2HG1      VAL  16  -4.529  -2.972  -2.972
   84   2HG1  VAL  16          3HG1      VAL  16  -3.404  -3.263  -3.263
   85   3HG1  VAL  16          1HG1      VAL  16  -4.989  -2.516  -2.516
   86   1HG2  VAL  16          3HG2      VAL  16  -4.358  -6.642  -6.642
   87   2HG2  VAL  16          1HG2      VAL  16  -3.867  -5.477  -5.477
   88   3HG2  VAL  16          2HG2      VAL  16  -3.074  -5.457  -5.457
   89    H    SER  17           HN       SER  17  -8.114  -4.618  -4.618
   90    HA   SER  17           HA       SER  17  -8.666  -2.199  -2.199
   91   1HB   SER  17          2HB       SER  17 -10.214  -3.818  -3.818
   92   2HB   SER  17          3HB       SER  17 -10.609  -4.522  -4.522
   93    HG   SER  17           HG       SER  17 -12.188  -3.017  -3.017
   94    H    THR  18           HN       THR  18  -8.994  -5.184  -5.184
   95    HA   THR  18           HA       THR  18  -9.962  -4.027  -4.027
   96    HB   THR  18           HB       THR  18  -8.292  -6.438  -6.438
   97    HG1  THR  18           HG1      THR  18 -10.756  -6.020  -6.020
   98   1HG2  THR  18          1HG2      THR  18  -7.432  -5.583  -5.583
   99   2HG2  THR  18          2HG2      THR  18  -9.102  -5.739  -5.739
  100   3HG2  THR  18          3HG2      THR  18  -8.214  -7.182  -7.182
  101    H    ALA  19           HN       ALA  19  -6.468  -4.524  -4.524
  102    HA   ALA  19           HA       ALA  19  -5.472  -3.258  -3.258
  103   1HB   ALA  19          1HB       ALA  19  -4.490  -3.933  -3.933
  104   2HB   ALA  19          2HB       ALA  19  -3.520  -2.804  -2.804
  105   3HB   ALA  19          3HB       ALA  19  -3.868  -4.438  -4.438
  106    H    GLN  20           HN       GLN  20  -6.472  -1.956  -1.956
  107    HA   GLN  20           HA       GLN  20  -5.538   0.597   0.597
  108   1HB   GLN  20          2HB       GLN  20  -8.084  -0.178  -0.178
  109   2HB   GLN  20          3HB       GLN  20  -7.090   1.235   1.235
  110   1HG   GLN  20          2HG       GLN  20  -5.294  -0.059  -0.059
  111   2HG   GLN  20          3HG       GLN  20  -5.884  -1.547  -1.547
  112   1HE2  GLN  20          2HE2      GLN  20  -8.040   0.042   0.042
  113   2HE2  GLN  20          1HE2      GLN  20  -7.400   1.045   1.045
  114    H    ALA  21           HN       ALA  21  -8.855  -0.739  -0.739
  115    HA   ALA  21           HA       ALA  21 -10.186   1.380   1.380
  116   1HB   ALA  21          2HB       ALA  21 -10.835  -1.095  -1.095
  117   2HB   ALA  21          3HB       ALA  21 -10.067  -1.185  -1.185
  118   3HB   ALA  21          1HB       ALA  21 -11.463  -0.110  -0.110
  119    H    ALA  22           HN       ALA  22  -7.463  -0.217  -0.217
  120    HA   ALA  22           HA       ALA  22  -7.777   1.342   1.342
  121   1HB   ALA  22          3HB       ALA  22  -6.645  -0.991  -0.991
  122   2HB   ALA  22          1HB       ALA  22  -5.221  -0.022  -0.022
  123   3HB   ALA  22          2HB       ALA  22  -5.930   0.136   0.136
  124    H    GLY  23           HN       GLY  23  -5.448   1.362   1.362
  125   1HA   GLY  23          1HA       GLY  23  -3.912   3.519   3.519
  126   2HA   GLY  23          2HA       GLY  23  -4.294   3.055   3.055
  127    H    TYR  24           HN       TYR  24  -7.164   3.471   3.471
  128    HA   TYR  24           HA       TYR  24  -7.195   6.274   6.274
  129   1HB   TYR  24          2HB       TYR  24  -8.540   4.610   4.610
  130   2HB   TYR  24          3HB       TYR  24  -9.261   4.001   4.001
  131    HD1  TYR  24           HD2      TYR  24  -8.805   7.597   7.597
  132    HD2  TYR  24           HD1      TYR  24 -11.559   4.339   4.339
  133    HE1  TYR  24           HE2      TYR  24 -10.753   9.205   9.205
  134    HE2  TYR  24           HE1      TYR  24 -13.498   5.959   5.959
  135    HH   TYR  24           HH       TYR  24 -13.871   8.412   8.412
  136    H    LYS  25           HN       LYS  25  -9.428   4.325   4.325
  137    HA   LYS  25           HA       LYS  25 -10.533   6.257   6.257
  138   1HB   LYS  25          2HB       LYS  25 -11.014   3.864   3.864
  139   2HB   LYS  25          3HB       LYS  25  -9.497   3.625   3.625
  140   1HG   LYS  25          2HG       LYS  25 -11.169   3.842   3.842
  141   2HG   LYS  25          3HG       LYS  25 -10.284   5.355   5.355
  142   1HD   LYS  25          2HD       LYS  25 -12.040   6.481   6.481
  143   2HD   LYS  25          3HD       LYS  25 -12.865   4.968   4.968
  144   1HE   LYS  25          2HE       LYS  25 -12.952   4.774   4.774
  145   2HE   LYS  25          3HE       LYS  25 -12.672   6.503   6.503
  146   1HZ   LYS  25          1HZ       LYS  25 -14.837   5.141   5.141
  147   2HZ   LYS  25          2HZ       LYS  25 -15.016   5.917   5.917
  148   3HZ   LYS  25          3HZ       LYS  25 -14.603   6.755   6.755
  149    H    LEU  26           HN       LEU  26  -7.282   4.825   4.825
  150    HA   LEU  26           HA       LEU  26  -6.809   6.590   6.590
  151   1HB   LEU  26          2HB       LEU  26  -5.656   4.576   4.576
  152   2HB   LEU  26          3HB       LEU  26  -5.163   4.686   4.686
  153    HG   LEU  26           HG       LEU  26  -3.573   6.467   6.467
  154   1HD1  LEU  26          1HD1      LEU  26  -4.983   6.399   6.399
  155   2HD1  LEU  26          2HD1      LEU  26  -3.212   6.568   6.568
  156   3HD1  LEU  26          3HD1      LEU  26  -4.177   7.743   7.743
  157   1HD2  LEU  26          2HD2      LEU  26  -2.985   4.012   4.012
  158   2HD2  LEU  26          3HD2      LEU  26  -1.929   5.126   5.126
  159   3HD2  LEU  26          1HD2      LEU  26  -3.155   4.166   4.166
  160    H    HIS  27           HN       HIS  27  -6.253   6.703   6.703
  161    HA   HIS  27           HA       HIS  27  -4.515   8.908   8.908
  162   1HB   HIS  27          2HB       HIS  27  -4.416   7.652   7.652
  163   2HB   HIS  27          3HB       HIS  27  -6.157   7.531   7.531
  164    HD1  HIS  27           HD1      HIS  27  -3.642  10.444  10.444
  165    HD2  HIS  27           HD2      HIS  27  -7.043   9.075   9.075
  166    HE1  HIS  27           HE1      HIS  27  -4.099  12.142  12.142
  167    HE2  HIS  27           HE2      HIS  27  -6.166  11.218  11.218
  168    H    GLU  28           HN       GLU  28  -8.091   8.553   8.553
  169    HA   GLU  28           HA       GLU  28  -8.506  11.293  11.293
  170   1HB   GLU  28          2HB       GLU  28 -10.875  10.203  10.203
  171   2HB   GLU  28          3HB       GLU  28 -10.494  10.415  10.415
  172   1HG   GLU  28          2HG       GLU  28  -9.496   8.179   8.179
  173   2HG   GLU  28          3HG       GLU  28  -9.630   7.970   7.970
  174    H    ASP  29           HN       ASP  29  -7.873   9.314   9.314
  175    HA   ASP  29           HA       ASP  29  -9.097  11.148  11.148
  176   1HB   ASP  29          2HB       ASP  29  -7.168   8.827   8.827
  177   2HB   ASP  29          3HB       ASP  29  -8.020   9.690   9.690
  178    H    GLY  30           HN       GLY  30  -6.033  10.667  10.667
  179   1HA   GLY  30          1HA       GLY  30  -4.206  12.003  12.003
  180   2HA   GLY  30          2HA       GLY  30  -4.930  13.069  13.069
  181    H    GLU  31           HN       GLU  31  -4.757   9.609   9.609
  182    HA   GLU  31           HA       GLU  31  -2.832  10.258  10.258
  183   1HB   GLU  31          2HB       GLU  31  -4.997   8.217   8.217
  184   2HB   GLU  31          3HB       GLU  31  -3.592   7.707   7.707
  185   1HG   GLU  31          2HG       GLU  31  -5.051  10.321  10.321
  186   2HG   GLU  31          3HG       GLU  31  -5.505   8.808   8.808
  187    H    THR  32           HN       THR  32  -1.459   8.033   8.033
  188    HA   THR  32           HA       THR  32  -0.441   6.959   6.959
  189    HB   THR  32           HB       THR  32   1.878   7.469   7.469
  190    HG1  THR  32           HG1      THR  32   0.350   8.828   8.828
  191   1HG2  THR  32          1HG2      THR  32  -0.081   9.811   9.811
  192   2HG2  THR  32          2HG2      THR  32   1.672  10.056  10.056
  193   3HG2  THR  32          3HG2      THR  32   1.033   9.310   9.310
  194    H    VAL  33           HN       VAL  33   1.202   5.126   5.126
  195    HA   VAL  33           HA       VAL  33   0.350   3.713   3.713
  196    HB   VAL  33           HB       VAL  33  -0.109   1.731   1.731
  197   1HG1  VAL  33          1HG1      VAL  33  -1.447   4.188   4.188
  198   2HG1  VAL  33          2HG1      VAL  33  -1.558   2.960   2.960
  199   3HG1  VAL  33          3HG1      VAL  33  -2.130   2.585   2.585
  200   1HG2  VAL  33          3HG2      VAL  33   1.092   3.080   3.080
  201   2HG2  VAL  33          1HG2      VAL  33   1.678   1.632   1.632
  202   3HG2  VAL  33          2HG2      VAL  33   0.159   1.565   1.565
  203    H    GLY  34           HN       GLY  34   1.999   2.626   2.626
  204   1HA   GLY  34          1HA       GLY  34   4.059   1.719   1.719
  205   2HA   GLY  34          2HA       GLY  34   4.448   1.971   1.971
  206    H    SER  35           HN       SER  35   6.545   2.834   2.834
  207    HA   SER  35           HA       SER  35   6.540   5.289   5.289
  208   1HB   SER  35          2HB       SER  35   8.750   3.434   3.434
  209   2HB   SER  35          3HB       SER  35   9.102   5.014   5.014
  210    HG   SER  35           HG       SER  35   9.030   3.018   3.018
  211    H    ASN  36           HN       ASN  36   5.959   4.375   4.375
  212    HA   ASN  36           HA       ASN  36   7.622   6.390   6.390
  213   1HB   ASN  36          2HB       ASN  36   6.077   4.017   4.017
  214   2HB   ASN  36          3HB       ASN  36   5.897   5.388   5.388
  215   1HD2  ASN  36          2HD2      ASN  36   8.752   3.611   3.611
  216   2HD2  ASN  36          1HD2      ASN  36   7.028   3.496   3.496
  217    H    SER  37           HN       SER  37   5.823   7.168   7.168
  218    HA   SER  37           HA       SER  37   3.713   8.479   8.479
  219   1HB   SER  37          2HB       SER  37   4.063  10.508  10.508
  220   2HB   SER  37          3HB       SER  37   5.679   9.947   9.947
  221    HG   SER  37           HG       SER  37   5.943  10.297  10.297
  222    H    TYR  38           HN       TYR  38   3.311   5.955   5.955
  223    HA   TYR  38           HA       TYR  38   2.102   6.457   6.457
  224   1HB   TYR  38          2HB       TYR  38   2.534   4.026   4.026
  225   2HB   TYR  38          3HB       TYR  38   1.767   3.893   3.893
  226    HD1  TYR  38           HD2      TYR  38   4.666   6.097   6.097
  227    HD2  TYR  38           HD1      TYR  38   3.348   2.429   2.429
  228    HE1  TYR  38           HE2      TYR  38   6.942   5.796   5.796
  229    HE2  TYR  38           HE1      TYR  38   5.630   2.141   2.141
  230    HH   TYR  38           HH       TYR  38   7.495   3.812   3.812
  231    HA   PRO  39           HA       PRO  39   0.752   5.414   5.414
  232   1HB   PRO  39          2HB       PRO  39  -1.384   6.322   6.322
  233   2HB   PRO  39          3HB       PRO  39  -1.233   4.665   4.665
  234   1HG   PRO  39          2HG       PRO  39  -2.960   6.819   6.819
  235   2HG   PRO  39          3HG       PRO  39  -3.094   5.088   5.088
  236   1HD   PRO  39          2HD       PRO  39  -2.088   7.006   7.006
  237   2HD   PRO  39          3HD       PRO  39  -2.115   5.264   5.264
  238    H    HIS  40           HN       HIS  40   0.603   6.916   6.916
  239    HA   HIS  40           HA       HIS  40   0.576   9.642   9.642
  240   1HB   HIS  40          2HB       HIS  40   2.892  10.246  10.246
  241   2HB   HIS  40          3HB       HIS  40   2.511   9.172   9.172
  242    HD1  HIS  40           HD1      HIS  40   4.176   9.055   9.055
  243    HD2  HIS  40           HD2      HIS  40   4.134   6.957   6.957
  244    HE1  HIS  40           HE1      HIS  40   6.020   7.300   7.300
  245    HE2  HIS  40           HE2      HIS  40   5.983   6.079   6.079
  246    H    LYS  41           HN       LYS  41   1.839  10.814  10.814
  247    HA   LYS  41           HA       LYS  41   0.827   9.817   9.817
  248   1HB   LYS  41          2HB       LYS  41   2.111  12.132  12.132
  249   2HB   LYS  41          3HB       LYS  41   3.191  11.498  11.498
  250   1HG   LYS  41          2HG       LYS  41   1.764  12.605  12.605
  251   2HG   LYS  41          3HG       LYS  41   0.833  11.126  11.126
  252   1HD   LYS  41          2HD       LYS  41  -0.825  12.669  12.669
  253   2HD   LYS  41          3HD       LYS  41  -0.221  12.329  12.329
  254   1HE   LYS  41          2HE       LYS  41   0.667  14.668  14.668
  255   2HE   LYS  41          3HE       LYS  41  -0.445  14.783  14.783
  256   1HZ   LYS  41          1HZ       LYS  41   1.345  13.923  13.923
  257   2HZ   LYS  41          2HZ       LYS  41   2.371  13.959  13.959
  258   3HZ   LYS  41          3HZ       LYS  41   1.731  15.349  15.349
  259    H    TYR  42           HN       TYR  42   2.233   9.294   9.294
  260    HA   TYR  42           HA       TYR  42   4.675   7.896   7.896
  261   1HB   TYR  42          2HB       TYR  42   3.142   6.130   6.130
  262   2HB   TYR  42          3HB       TYR  42   1.961   6.590   6.590
  263    HD1  TYR  42           HD1      TYR  42   2.765   6.313   6.313
  264    HD2  TYR  42           HD2      TYR  42   4.478   4.264   4.264
  265    HE1  TYR  42           HE1      TYR  42   3.668   4.517   4.517
  266    HE2  TYR  42           HE2      TYR  42   5.376   2.474   2.474
  267    HH   TYR  42           HH       TYR  42   4.279   1.975   1.975
  268    H    ASN  43           HN       ASN  43   2.096   9.081   9.081
  269    HA   ASN  43           HA       ASN  43   1.998   9.545   9.545
  270   1HB   ASN  43          2HB       ASN  43   4.949   9.937   9.937
  271   2HB   ASN  43          3HB       ASN  43   4.403  10.080  10.080
  272   1HD2  ASN  43          2HD2      ASN  43   2.956  12.698  12.698
  273   2HD2  ASN  43          1HD2      ASN  43   3.390  11.065  11.065
  274    H    ASN  44           HN       ASN  44   5.204   8.535   8.535
  275    HA   ASN  44           HA       ASN  44   5.294   5.945   5.945
  276   1HB   ASN  44          2HB       ASN  44   3.985   5.083   5.083
  277   2HB   ASN  44          3HB       ASN  44   2.872   6.175   6.175
  278   1HD2  ASN  44          2HD2      ASN  44   4.203   6.818   6.818
  279   2HD2  ASN  44          1HD2      ASN  44   4.752   5.517   5.517
  280    H    TYR  45           HN       TYR  45   6.385   5.194   5.194
  281    HA   TYR  45           HA       TYR  45   7.279   6.968   6.968
  282   1HB   TYR  45          2HB       TYR  45   8.627   7.058   7.058
  283   2HB   TYR  45          3HB       TYR  45   9.744   6.900   6.900
  284    HD1  TYR  45           HD1      TYR  45   6.850   8.624   8.624
  285    HD2  TYR  45           HD2      TYR  45  10.471   9.178   9.178
  286    HE1  TYR  45           HE1      TYR  45   6.722  11.131  11.131
  287    HE2  TYR  45           HE2      TYR  45  10.330  11.682  11.682
  288    HH   TYR  45           HH       TYR  45   8.871  13.331  13.331
  289    H    GLU  46           HN       GLU  46   8.449   4.403   4.403
  290    HA   GLU  46           HA       GLU  46  10.292   3.213   3.213
  291   1HB   GLU  46          2HB       GLU  46   8.150   1.854   1.854
  292   2HB   GLU  46          3HB       GLU  46   9.608   1.060   1.060
  293   1HG   GLU  46          2HG       GLU  46   9.254   2.914   2.914
  294   2HG   GLU  46          3HG       GLU  46  10.575   1.810   1.810
  295    H    GLY  47           HN       GLY  47   6.902   3.526   3.526
  296   1HA   GLY  47          1HA       GLY  47   6.250   3.176   3.176
  297   2HA   GLY  47          2HA       GLY  47   7.268   1.750   1.750
  298    H    PHE  48           HN       PHE  48   4.644   3.046   3.046
  299    HA   PHE  48           HA       PHE  48   3.584   0.329   0.329
  300   1HB   PHE  48          2HB       PHE  48   3.188   2.945   2.945
  301   2HB   PHE  48          3HB       PHE  48   2.210   1.525   1.525
  302    HD1  PHE  48           HD2      PHE  48   3.329  -0.567  -0.567
  303    HD2  PHE  48           HD1      PHE  48   5.367   3.148   3.148
  304    HE1  PHE  48           HE2      PHE  48   5.075  -1.418  -1.418
  305    HE2  PHE  48           HE1      PHE  48   7.112   2.296   2.296
  306    HZ   PHE  48           HZ       PHE  48   6.946   0.023   0.023
  307    H    ASP  49           HN       ASP  49   1.541  -0.211  -0.211
  308    HA   ASP  49           HA       ASP  49   0.332   1.794   1.794
  309   1HB   ASP  49          2HB       ASP  49  -0.835  -0.961  -0.961
  310   2HB   ASP  49          3HB       ASP  49  -0.728   0.016   0.016
  311    H    PHE  50           HN       PHE  50  -0.232   2.935   2.935
  312    HA   PHE  50           HA       PHE  50  -2.194   1.730   1.730
  313   1HB   PHE  50          2HB       PHE  50  -1.186   4.587   4.587
  314   2HB   PHE  50          3HB       PHE  50  -2.354   4.237   4.237
  315    HD1  PHE  50           HD1      PHE  50  -0.398   1.419   1.419
  316    HD2  PHE  50           HD2      PHE  50  -0.163   5.514   5.514
  317    HE1  PHE  50           HE1      PHE  50   1.471   0.890   0.890
  318    HE2  PHE  50           HE2      PHE  50   1.706   4.986   4.986
  319    HZ   PHE  50           HZ       PHE  50   2.501   2.681   2.681
  320    H    SER  51           HN       SER  51  -4.126   1.140   1.140
  321    HA   SER  51           HA       SER  51  -5.279   2.723   2.723
  322   1HB   SER  51          2HB       SER  51  -7.152   1.128   1.128
  323   2HB   SER  51          3HB       SER  51  -5.620   0.277   0.277
  324    HG   SER  51           HG       SER  51  -7.128  -0.530  -0.530
  325    H    VAL  52           HN       VAL  52  -4.706   4.029   4.029
  326    HA   VAL  52           HA       VAL  52  -7.440   4.976   4.976
  327    HB   VAL  52           HB       VAL  52  -6.970   5.141   5.141
  328   1HG1  VAL  52          2HG1      VAL  52  -7.010   2.640   2.640
  329   2HG1  VAL  52          3HG1      VAL  52  -6.074   2.459   2.459
  330   3HG1  VAL  52          1HG1      VAL  52  -7.750   3.055   3.055
  331   1HG2  VAL  52          3HG2      VAL  52  -4.284   5.185   5.185
  332   2HG2  VAL  52          1HG2      VAL  52  -4.925   5.174   5.174
  333   3HG2  VAL  52          2HG2      VAL  52  -4.472   3.644   3.644
  334    H    SER  53           HN       SER  53  -7.622   7.236   7.236
  335    HA   SER  53           HA       SER  53  -5.475   8.712   8.712
  336   1HB   SER  53          2HB       SER  53  -7.598   9.442   9.442
  337   2HB   SER  53          3HB       SER  53  -8.303   9.333   9.333
  338    HG   SER  53           HG       SER  53  -6.311  11.272  11.272
  339    H    SER  54           HN       SER  54  -4.092  10.163  10.163
  340    HA   SER  54           HA       SER  54  -3.332   9.711   9.711
  341   1HB   SER  54          2HB       SER  54  -2.615  12.243  12.243
  342   2HB   SER  54          3HB       SER  54  -1.929  11.143  11.143
  343    HG   SER  54           HG       SER  54  -3.217  13.402  13.402
  344    HA   PRO  55           HA       PRO  55  -2.431  11.441  11.441
  345   1HB   PRO  55          2HB       PRO  55  -2.178  11.432  11.432
  346   2HB   PRO  55          3HB       PRO  55  -2.243  12.903  12.903
  347   1HG   PRO  55          2HG       PRO  55  -4.340  11.702  11.702
  348   2HG   PRO  55          3HG       PRO  55  -4.223  13.342  13.342
  349   1HD   PRO  55          2HD       PRO  55  -5.933  11.265  11.265
  350   2HD   PRO  55          3HD       PRO  55  -5.731  12.869  12.869
  351    H    TYR  56           HN       TYR  56  -0.765  10.003  10.003
  352    HA   TYR  56           HA       TYR  56  -2.012   7.337   7.337
  353   1HB   TYR  56          2HB       TYR  56   0.772   8.412   8.412
  354   2HB   TYR  56          3HB       TYR  56   0.423   6.698   6.698
  355    HD1  TYR  56           HD1      TYR  56  -2.328   6.668   6.668
  356    HD2  TYR  56           HD2      TYR  56   1.266   8.682   8.682
  357    HE1  TYR  56           HE1      TYR  56  -3.103   6.681   6.681
  358    HE2  TYR  56           HE2      TYR  56   0.478   8.688   8.688
  359    HH   TYR  56           HH       TYR  56  -1.049   8.080   8.080
  360    H    TYR  57           HN       TYR  57  -2.298   6.793   6.793
  361    HA   TYR  57           HA       TYR  57  -0.285   7.631   7.631
  362   1HB   TYR  57          2HB       TYR  57  -2.913   6.032   6.032
  363   2HB   TYR  57          3HB       TYR  57  -2.048   6.707   6.707
  364    HD1  TYR  57           HD2      TYR  57  -1.419   9.319   9.319
  365    HD2  TYR  57           HD1      TYR  57  -4.932   7.251   7.251
  366    HE1  TYR  57           HE2      TYR  57  -2.767  11.464  11.464
  367    HE2  TYR  57           HE1      TYR  57  -6.269   9.404   9.404
  368    HH   TYR  57           HH       TYR  57  -6.145  11.481  11.481
  369    H    GLU  58           HN       GLU  58   0.946   6.194   6.194
  370    HA   GLU  58           HA       GLU  58   1.033   3.504   3.504
  371   1HB   GLU  58          2HB       GLU  58   3.389   3.440   3.440
  372   2HB   GLU  58          3HB       GLU  58   3.118   4.741   4.741
  373   1HG   GLU  58          2HG       GLU  58   4.343   5.787   5.787
  374   2HG   GLU  58          3HG       GLU  58   2.688   6.253   6.253
  375    H    TRP  59           HN       TRP  59   0.766   1.720   1.720
  376    HA   TRP  59           HA       TRP  59   0.966   2.039   2.039
  377   1HB   TRP  59          2HB       TRP  59  -1.218   2.897   2.897
  378   2HB   TRP  59          3HB       TRP  59  -1.703   1.715   1.715
  379    HD1  TRP  59           HD1      TRP  59  -2.451  -0.720  -0.720
  380    HE1  TRP  59           HE1      TRP  59  -3.093  -1.712  -1.712
  381    HE3  TRP  59           HE3      TRP  59  -0.566   3.140   3.140
  382    HZ2  TRP  59           HZ2      TRP  59  -2.748  -0.792  -0.792
  383    HZ3  TRP  59           HZ3      TRP  59  -0.759   3.015   3.015
  384    HH2  TRP  59           HH2      TRP  59  -1.805   1.136   1.136
  385    HA   PRO  60           HA       PRO  60   2.049  -2.109  -2.109
  386   1HB   PRO  60          2HB       PRO  60   2.278  -3.002  -3.002
  387   2HB   PRO  60          3HB       PRO  60   3.541  -2.106  -2.106
  388   1HG   PRO  60          2HG       PRO  60   1.667  -1.178  -1.178
  389   2HG   PRO  60          3HG       PRO  60   3.178  -0.457  -0.457
  390   1HD   PRO  60          2HD       PRO  60   0.534   0.433   0.433
  391   2HD   PRO  60          3HD       PRO  60   2.044   1.081   1.081
  392    H    ILE  61           HN       ILE  61   1.279  -4.224  -4.224
  393    HA   ILE  61           HA       ILE  61  -1.496  -4.406  -4.406
  394    HB   ILE  61           HB       ILE  61  -1.347  -4.193  -4.193
  395   1HG1  ILE  61          2HG1      ILE  61  -2.172  -6.906  -6.906
  396   2HG1  ILE  61          3HG1      ILE  61  -3.178  -5.491  -5.491
  397   1HG2  ILE  61          1HG2      ILE  61   0.975  -5.135  -5.135
  398   2HG2  ILE  61          2HG2      ILE  61   0.258  -6.757  -6.757
  399   3HG2  ILE  61          3HG2      ILE  61  -0.180  -5.711  -5.711
  400   1HD1  ILE  61          2HD1      ILE  61  -2.594  -5.625  -5.625
  401   2HD1  ILE  61          3HD1      ILE  61  -1.870  -7.213  -7.213
  402   3HD1  ILE  61          1HD1      ILE  61  -3.608  -6.946  -6.946
  403    H    LEU  62           HN       LEU  62  -1.752  -5.807  -5.807
  404    HA   LEU  62           HA       LEU  62   0.341  -7.716  -7.716
  405   1HB   LEU  62          2HB       LEU  62  -2.222  -7.053  -7.053
  406   2HB   LEU  62          3HB       LEU  62  -1.019  -8.198  -8.198
  407    HG   LEU  62           HG       LEU  62  -0.551  -5.233  -5.233
  408   1HD1  LEU  62          1HD1      LEU  62  -1.250  -6.859  -6.859
  409   2HD1  LEU  62          2HD1      LEU  62  -0.262  -5.387  -5.387
  410   3HD1  LEU  62          3HD1      LEU  62  -1.895  -5.294  -5.294
  411   1HD2  LEU  62          2HD2      LEU  62   1.268  -7.497  -7.497
  412   2HD2  LEU  62          3HD2      LEU  62   1.588  -5.886  -5.886
  413   3HD2  LEU  62          1HD2      LEU  62   1.489  -6.100  -6.100
  414    H    SER  63           HN       SER  63   0.391  -9.748  -9.748
  415    HA   SER  63           HA       SER  63  -1.552 -10.689 -10.689
  416   1HB   SER  63          2HB       SER  63  -0.395 -12.948 -12.948
  417   2HB   SER  63          3HB       SER  63   0.626 -11.635 -11.635
  418    HG   SER  63           HG       SER  63   1.457 -12.954 -12.954
  419    H    SER  64           HN       SER  64  -1.594 -10.410 -10.410
  420    HA   SER  64           HA       SER  64  -3.238 -12.704 -12.704
  421   1HB   SER  64          2HB       SER  64  -3.003 -10.497 -10.497
  422   2HB   SER  64          3HB       SER  64  -3.023 -12.232 -12.232
  423    HG   SER  64           HG       SER  64  -0.902 -11.460 -11.460
  424    H    GLY  65           HN       GLY  65  -3.621  -9.417  -9.417
  425   1HA   GLY  65          1HA       GLY  65  -5.551  -8.458  -8.458
  426   2HA   GLY  65          2HA       GLY  65  -6.507  -9.712  -9.712
  427    H    ASP  66           HN       ASP  66  -3.952  -7.799  -7.799
  428    HA   ASP  66           HA       ASP  66  -6.078  -6.721  -6.721
  429   1HB   ASP  66          2HB       ASP  66  -3.141  -7.331  -7.331
  430   2HB   ASP  66          3HB       ASP  66  -4.068  -6.311  -6.311
  431    H    VAL  67           HN       VAL  67  -4.767  -4.595  -4.595
  432    HA   VAL  67           HA       VAL  67  -4.110  -2.881  -2.881
  433    HB   VAL  67           HB       VAL  67  -5.364  -2.391  -2.391
  434   1HG1  VAL  67          3HG1      VAL  67  -3.619  -0.672  -0.672
  435   2HG1  VAL  67          1HG1      VAL  67  -4.360  -0.258  -0.258
  436   3HG1  VAL  67          2HG1      VAL  67  -5.261   0.009   0.009
  437   1HG2  VAL  67          2HG2      VAL  67  -6.227  -2.342  -2.342
  438   2HG2  VAL  67          3HG2      VAL  67  -7.134  -2.766  -2.766
  439   3HG2  VAL  67          1HG2      VAL  67  -6.875  -1.058  -1.058
  440    H    TYR  68           HN       TYR  68  -1.931  -2.803  -2.803
  441    HA   TYR  68           HA       TYR  68   0.029  -3.486  -3.486
  442   1HB   TYR  68          2HB       TYR  68   0.760  -2.861  -2.861
  443   2HB   TYR  68          3HB       TYR  68  -0.415  -1.567  -1.567
  444    HD1  TYR  68           HD2      TYR  68   2.712  -2.410  -2.410
  445    HD2  TYR  68           HD1      TYR  68   0.363   0.622   0.622
  446    HE1  TYR  68           HE2      TYR  68   4.538  -0.701  -0.701
  447    HE2  TYR  68           HE1      TYR  68   2.198   2.320   2.320
  448    HH   TYR  68           HH       TYR  68   4.164   2.353   2.353
  449    H    SER  69           HN       SER  69   0.410  -2.917  -2.917
  450    HA   SER  69           HA       SER  69  -0.196  -0.173  -0.173
  451   1HB   SER  69          2HB       SER  69   0.021  -1.071  -1.071
  452   2HB   SER  69          3HB       SER  69  -1.304  -1.738  -1.738
  453    HG   SER  69           HG       SER  69  -0.141  -3.659  -3.659
  454    H    GLY  70           HN       GLY  70   2.206  -2.650  -2.650
  455   1HA   GLY  70          1HA       GLY  70   4.158  -0.850  -0.850
  456   2HA   GLY  70          2HA       GLY  70   4.420  -2.528  -2.528
  457    H    GLY  71           HN       GLY  71   5.476   0.516   0.516
  458   1HA   GLY  71          1HA       GLY  71   5.471   0.656   0.656
  459   2HA   GLY  71          2HA       GLY  71   6.545   1.498   1.498
  460    H    SER  72           HN       SER  72   5.961  -1.883  -1.883
  461    HA   SER  72           HA       SER  72   8.747  -2.006  -2.006
  462   1HB   SER  72          2HB       SER  72   8.264  -2.890  -2.890
  463   2HB   SER  72          3HB       SER  72   7.647  -4.304  -4.304
  464    HG   SER  72           HG       SER  72  10.136  -3.944  -3.944
  465    HA   PRO  73           HA       PRO  73   5.626  -4.253  -4.253
  466   1HB   PRO  73          2HB       PRO  73   5.267  -2.470  -2.470
  467   2HB   PRO  73          3HB       PRO  73   4.165  -2.610  -2.610
  468   1HG   PRO  73          2HG       PRO  73   6.179  -0.515  -0.515
  469   2HG   PRO  73          3HG       PRO  73   4.805  -0.463  -0.463
  470   1HD   PRO  73          2HD       PRO  73   7.555  -0.826  -0.826
  471   2HD   PRO  73          3HD       PRO  73   6.170  -0.889  -0.889
  472    H    GLY  74           HN       GLY  74   7.913  -2.049  -2.049
  473   1HA   GLY  74          1HA       GLY  74   9.147  -2.604  -2.604
  474   2HA   GLY  74          2HA       GLY  74  10.017  -3.387  -3.387
  475    H    ALA  75           HN       ALA  75   7.858  -3.846  -3.846
  476    HA   ALA  75           HA       ALA  75   8.683  -6.101  -6.101
  477   1HB   ALA  75          2HB       ALA  75   7.320  -6.728  -6.728
  478   2HB   ALA  75          3HB       ALA  75   7.120  -7.855  -7.855
  479   3HB   ALA  75          1HB       ALA  75   8.748  -7.484  -7.484
  480    H    ASP  76           HN       ASP  76   5.422  -6.214  -6.214
  481    HA   ASP  76           HA       ASP  76   4.334  -5.974  -5.974
  482   1HB   ASP  76          2HB       ASP  76   2.945  -6.500  -6.500
  483   2HB   ASP  76          3HB       ASP  76   2.200  -6.649  -6.649
  484    H    ARG  77           HN       ARG  77   3.197  -4.119  -4.119
  485    HA   ARG  77           HA       ARG  77   2.208  -2.320  -2.320
  486   1HB   ARG  77          2HB       ARG  77   4.368  -1.518  -1.518
  487   2HB   ARG  77          3HB       ARG  77   3.365  -0.340  -0.340
  488   1HG   ARG  77          2HG       ARG  77   4.621  -2.367  -2.367
  489   2HG   ARG  77          3HG       ARG  77   5.759  -1.313  -1.313
  490   1HD   ARG  77          2HD       ARG  77   3.591   0.339   0.339
  491   2HD   ARG  77          3HD       ARG  77   4.051  -0.708  -0.708
  492    HE   ARG  77           HE       ARG  77   5.564   1.514   1.514
  493   1HH1  ARG  77           HH2      ARG  77   6.061  -1.819  -1.819
  494   2HH1  ARG  77           HH2      ARG  77   7.688  -1.550  -1.550
  495   1HH2  ARG  77           HH1      ARG  77   7.709   1.871   1.871
  496   2HH2  ARG  77           HH1      ARG  77   8.631   0.564   0.564
  497    H    VAL  78           HN       VAL  78   0.392  -1.160  -1.160
  498    HA   VAL  78           HA       VAL  78  -0.231  -1.625  -1.625
  499    HB   VAL  78           HB       VAL  78  -1.864  -2.818  -2.818
  500   1HG1  VAL  78          2HG1      VAL  78  -0.941  -2.357  -2.357
  501   2HG1  VAL  78          3HG1      VAL  78  -1.983  -0.916  -0.916
  502   3HG1  VAL  78          1HG1      VAL  78  -2.710  -2.535  -2.535
  503   1HG2  VAL  78          3HG2      VAL  78  -2.836   0.039   0.039
  504   2HG2  VAL  78          1HG2      VAL  78  -3.172  -1.276  -1.276
  505   3HG2  VAL  78          2HG2      VAL  78  -3.910  -1.300  -1.300
  506    H    VAL  79           HN       VAL  79  -0.535   0.147   0.147
  507    HA   VAL  79           HA       VAL  79  -0.458   2.730   2.730
  508    HB   VAL  79           HB       VAL  79   0.229   1.866   1.866
  509   1HG1  VAL  79          3HG1      VAL  79  -0.834   4.310   4.310
  510   2HG1  VAL  79          1HG1      VAL  79   0.906   4.619   4.619
  511   3HG1  VAL  79          2HG1      VAL  79   0.297   4.002   4.002
  512   1HG2  VAL  79          1HG2      VAL  79   1.730   2.066   2.066
  513   2HG2  VAL  79          2HG2      VAL  79   2.265   1.523   1.523
  514   3HG2  VAL  79          3HG2      VAL  79   2.352   3.247   3.247
  515    H    PHE  80           HN       PHE  80  -2.089   4.251   4.251
  516    HA   PHE  80           HA       PHE  80  -4.144   3.756   3.756
  517   1HB   PHE  80          2HB       PHE  80  -5.901   3.479   3.479
  518   2HB   PHE  80          3HB       PHE  80  -4.619   2.405   2.405
  519    HD1  PHE  80           HD2      PHE  80  -2.879   3.512   3.512
  520    HD2  PHE  80           HD1      PHE  80  -6.839   4.897   4.897
  521    HE1  PHE  80           HE2      PHE  80  -2.842   4.645   4.645
  522    HE2  PHE  80           HE1      PHE  80  -6.802   6.031   6.031
  523    HZ   PHE  80           HZ       PHE  80  -4.803   5.890   5.890
  524    H    ASN  81           HN       ASN  81  -5.783   5.580   5.580
  525    HA   ASN  81           HA       ASN  81  -4.396   8.000   8.000
  526   1HB   ASN  81          2HB       ASN  81  -5.158   8.960   8.960
  527   2HB   ASN  81          3HB       ASN  81  -5.413   7.304   7.304
  528   1HD2  ASN  81          2HD2      ASN  81  -8.952   7.280   7.280
  529   2HD2  ASN  81          1HD2      ASN  81  -7.522   6.313   6.313
  530    H    GLU  82           HN       GLU  82  -7.732   8.293   8.293
  531    HA   GLU  82           HA       GLU  82  -8.649   9.596   9.596
  532   1HB   GLU  82          2HB       GLU  82 -10.005   9.308   9.308
  533   2HB   GLU  82          3HB       GLU  82 -10.110   7.574   7.574
  534   1HG   GLU  82          2HG       GLU  82 -11.282   8.077   8.077
  535   2HG   GLU  82          3HG       GLU  82 -11.377   9.747   9.747
  536    H    ASN  83           HN       ASN  83  -9.164   6.007   6.007
  537    HA   ASN  83           HA       ASN  83  -8.509   5.602   5.602
  538   1HB   ASN  83          2HB       ASN  83 -10.926   4.426   4.426
  539   2HB   ASN  83          3HB       ASN  83 -10.673   6.103   6.103
  540   1HD2  ASN  83          2HD2      ASN  83 -11.961   5.853   5.853
  541   2HD2  ASN  83          1HD2      ASN  83 -10.458   5.194   5.194
  542    H    ASN  84           HN       ASN  84 -10.954   4.005   4.005
  543    HA   ASN  84           HA       ASN  84  -9.472   1.570   1.570
  544   1HB   ASN  84          2HB       ASN  84 -11.404   0.539   0.539
  545   2HB   ASN  84          3HB       ASN  84 -12.072   1.861   1.861
  546   1HD2  ASN  84          2HD2      ASN  84 -13.112   3.846   3.846
  547   2HD2  ASN  84          1HD2      ASN  84 -12.630   3.835   3.835
  548    H    GLN  85           HN       GLN  85  -8.451   4.065   4.065
  549    HA   GLN  85           HA       GLN  85  -8.607   3.283   3.283
  550   1HB   GLN  85          2HB       GLN  85  -6.633   5.286   5.286
  551   2HB   GLN  85          3HB       GLN  85  -8.295   5.505   5.505
  552   1HG   GLN  85          2HG       GLN  85  -7.591   6.930   6.930
  553   2HG   GLN  85          3HG       GLN  85  -9.037   5.972   5.972
  554   1HE2  GLN  85          2HE2      GLN  85  -7.442   3.525   3.525
  555   2HE2  GLN  85          1HE2      GLN  85  -8.546   3.662   3.662
  556    H    LEU  86           HN       LEU  86  -7.453   1.305   1.305
  557    HA   LEU  86           HA       LEU  86  -4.878   1.102   1.102
  558   1HB   LEU  86          2HB       LEU  86  -5.645  -0.929  -0.929
  559   2HB   LEU  86          3HB       LEU  86  -6.977  -0.719  -0.719
  560    HG   LEU  86           HG       LEU  86  -4.945  -1.156  -1.156
  561   1HD1  LEU  86          1HD1      LEU  86  -3.666  -1.672  -1.672
  562   2HD1  LEU  86          2HD1      LEU  86  -4.244  -3.293  -3.293
  563   3HD1  LEU  86          3HD1      LEU  86  -3.223  -2.366  -2.366
  564   1HD2  LEU  86          1HD2      LEU  86  -7.215  -2.573  -2.573
  565   2HD2  LEU  86          2HD2      LEU  86  -6.454  -2.669  -2.669
  566   3HD2  LEU  86          3HD2      LEU  86  -5.891  -3.728  -3.728
  567    H    ALA  87           HN       ALA  87  -3.098   1.809   1.809
  568    HA   ALA  87           HA       ALA  87  -3.153   2.319   2.319
  569   1HB   ALA  87          2HB       ALA  87  -1.638   3.088   3.088
  570   2HB   ALA  87          3HB       ALA  87  -0.496   2.267   2.267
  571   3HB   ALA  87          1HB       ALA  87  -1.443   3.656   3.656
  572    H    GLY  88           HN       GLY  88  -1.902  -0.271  -0.271
  573   1HA   GLY  88          1HA       GLY  88  -1.999  -2.271  -2.271
  574   2HA   GLY  88          2HA       GLY  88  -0.388  -1.591  -1.591
  575    H    VAL  89           HN       VAL  89   0.689  -3.433  -3.433
  576    HA   VAL  89           HA       VAL  89   0.407  -3.673  -3.673
  577    HB   VAL  89           HB       VAL  89   0.391  -5.979  -5.979
  578   1HG1  VAL  89          1HG1      VAL  89   1.504  -5.918  -5.918
  579   2HG1  VAL  89          2HG1      VAL  89  -0.101  -6.652  -6.652
  580   3HG1  VAL  89          3HG1      VAL  89   1.046  -7.363  -7.363
  581   1HG2  VAL  89          3HG2      VAL  89  -1.712  -4.666  -4.666
  582   2HG2  VAL  89          1HG2      VAL  89  -1.813  -5.304  -5.304
  583   3HG2  VAL  89          2HG2      VAL  89  -1.793  -6.423  -6.423
  584    H    ILE  90           HN       ILE  90   2.343  -2.376  -2.376
  585    HA   ILE  90           HA       ILE  90   4.668  -3.392  -3.392
  586    HB   ILE  90           HB       ILE  90   5.763  -1.453  -1.453
  587   1HG1  ILE  90          2HG1      ILE  90   3.670  -1.476  -1.476
  588   2HG1  ILE  90          3HG1      ILE  90   5.383  -1.127  -1.127
  589   1HG2  ILE  90          1HG2      ILE  90   3.698  -1.343  -1.343
  590   2HG2  ILE  90          2HG2      ILE  90   3.057  -0.273  -0.273
  591   3HG2  ILE  90          3HG2      ILE  90   4.611   0.105   0.105
  592   1HD1  ILE  90          1HD1      ILE  90   4.253   0.895   0.895
  593   2HD1  ILE  90          2HD1      ILE  90   3.186   0.729   0.729
  594   3HD1  ILE  90          3HD1      ILE  90   4.916   1.084   1.084
  595    H    THR  91           HN       THR  91   6.743  -3.732  -3.732
  596    HA   THR  91           HA       THR  91   6.427  -4.547  -4.547
  597    HB   THR  91           HB       THR  91   5.457  -6.554  -6.554
  598    HG1  THR  91           HG1      THR  91   7.261  -7.101  -7.101
  599   1HG2  THR  91          2HG2      THR  91   7.635  -6.432  -6.432
  600   2HG2  THR  91          3HG2      THR  91   6.561  -7.828  -7.828
  601   3HG2  THR  91          1HG2      THR  91   5.882  -6.268  -6.268
  602    H    HIS  92           HN       HIS  92   8.488  -5.254  -5.254
  603    HA   HIS  92           HA       HIS  92  10.601  -3.733  -3.733
  604   1HB   HIS  92          2HB       HIS  92  10.333  -5.285  -5.285
  605   2HB   HIS  92          3HB       HIS  92  11.832  -4.519  -4.519
  606    HD1  HIS  92           HD1      HIS  92  12.010  -2.563  -2.563
  607    HD2  HIS  92           HD2      HIS  92   8.213  -2.863  -2.863
  608    HE1  HIS  92           HE1      HIS  92  10.724  -0.480  -0.480
  609    HE2  HIS  92           HE2      HIS  92   8.418  -0.694  -0.694
  610    H    THR  93           HN       THR  93   9.406  -6.928  -6.928
  611    HA   THR  93           HA       THR  93  11.415  -8.661  -8.661
  612    HB   THR  93           HB       THR  93   9.075  -8.126  -8.126
  613    HG1  THR  93           HG1      THR  93  10.194 -10.329 -10.329
  614   1HG2  THR  93          1HG2      THR  93  11.273 -10.195 -10.195
  615   2HG2  THR  93          2HG2      THR  93   9.610 -10.377 -10.377
  616   3HG2  THR  93          3HG2      THR  93  10.619  -9.019  -9.019
  617    H    GLY  94           HN       GLY  94  13.525  -8.233  -8.233
  618   1HA   GLY  94          1HA       GLY  94  15.360  -7.335  -7.335
  619   2HA   GLY  94          2HA       GLY  94  14.767  -8.314  -8.314
  620    H    ALA  95           HN       ALA  95  13.262  -5.339  -5.339
  621    HA   ALA  95           HA       ALA  95  12.862  -4.241  -4.241
  622   1HB   ALA  95          3HB       ALA  95  12.066  -3.765  -3.765
  623   2HB   ALA  95          1HB       ALA  95  12.649  -2.239  -2.239
  624   3HB   ALA  95          2HB       ALA  95  11.337  -3.143  -3.143
  625    H    SER  96           HN       SER  96  15.403  -4.756  -4.756
  626    HA   SER  96           HA       SER  96  17.513  -4.030  -4.030
  627   1HB   SER  96          2HB       SER  96  16.020  -2.906  -2.906
  628   2HB   SER  96          3HB       SER  96  16.455  -1.425  -1.425
  629    HG   SER  96           HG       SER  96  18.537  -3.294  -3.294
  630    H    GLY  97           HN       GLY  97  16.297  -3.514  -3.514
  631   1HA   GLY  97          1HA       GLY  97  17.854  -2.340  -2.340
  632   2HA   GLY  97          2HA       GLY  97  17.460  -0.886  -0.886
  633    H    ASN  98           HN       ASN  98  16.089   0.366   0.366
  634    HA   ASN  98           HA       ASN  98  14.136  -1.009  -1.009
  635   1HB   ASN  98          2HB       ASN  98  15.362   0.689   0.689
  636   2HB   ASN  98          3HB       ASN  98  15.194   1.851   1.851
  637   1HD2  ASN  98          2HD2      ASN  98  11.624   0.888   0.888
  638   2HD2  ASN  98          1HD2      ASN  98  12.688  -0.317  -0.317
  639    H    ASN  99           HN       ASN  99  14.399   0.063   0.063
  640    HA   ASN  99           HA       ASN  99  12.268   1.779   1.779
  641   1HB   ASN  99          2HB       ASN  99  12.628   1.447   1.447
  642   2HB   ASN  99          3HB       ASN  99  14.170   0.926   0.926
  643   1HD2  ASN  99          2HD2      ASN  99  13.896  -2.031  -2.031
  644   2HD2  ASN  99          1HD2      ASN  99  14.758  -0.571  -0.571
  645    H    PHE 100           HN       PHE 100  10.364   0.859   0.859
  646    HA   PHE 100           HA       PHE 100   9.289  -1.554  -1.554
  647   1HB   PHE 100          2HB       PHE 100   8.102   1.150   1.150
  648   2HB   PHE 100          3HB       PHE 100   7.052  -0.249  -0.249
  649    HD1  PHE 100           HD2      PHE 100   7.492  -1.654  -1.654
  650    HD2  PHE 100           HD1      PHE 100   8.131   2.505   2.505
  651    HE1  PHE 100           HE2      PHE 100   7.248  -1.291  -1.291
  652    HE2  PHE 100           HE1      PHE 100   7.885   2.868   2.868
  653    HZ   PHE 100           HZ       PHE 100   7.447   0.966   0.966
  654    H    VAL 101           HN       VAL 101   7.683  -2.753  -2.753
  655    HA   VAL 101           HA       VAL 101   7.620  -2.159  -2.159
  656    HB   VAL 101           HB       VAL 101   8.757  -4.163  -4.163
  657   1HG1  VAL 101          2HG1      VAL 101  10.013  -2.019  -2.019
  658   2HG1  VAL 101          3HG1      VAL 101  10.576  -2.589  -2.589
  659   3HG1  VAL 101          1HG1      VAL 101  11.039  -3.468  -3.468
  660   1HG2  VAL 101          1HG2      VAL 101   8.921  -4.725  -4.725
  661   2HG2  VAL 101          2HG2      VAL 101   8.708  -5.836  -5.836
  662   3HG2  VAL 101          3HG2      VAL 101  10.323  -5.191  -5.191
  663    H    GLU 102           HN       GLU 102   5.768  -3.012  -3.012
  664    HA   GLU 102           HA       GLU 102   3.829  -3.969  -3.969
  665   1HB   GLU 102          2HB       GLU 102   3.031  -4.971  -4.971
  666   2HB   GLU 102          3HB       GLU 102   2.841  -3.296  -3.296
  667   1HG   GLU 102          2HG       GLU 102   4.709  -2.573  -2.573
  668   2HG   GLU 102          3HG       GLU 102   5.455  -4.159  -4.159
  669    H    CYS 103           HN       CYS 103   3.368  -5.924  -5.924
  670    HA   CYS 103           HA       CYS 103   5.162  -7.987  -7.987
  671   1HB   CYS 103          2HB       CYS 103   2.192  -8.140  -8.140
  672   2HB   CYS 103          3HB       CYS 103   3.379  -9.343  -9.343
  673    H    THR 104           HN       THR 104   3.877 -10.400 -10.400
  674    HA   THR 104           HA       THR 104   3.485 -10.187 -10.187
  675    HB   THR 104           HB       THR 104   4.506 -12.426 -12.426
  676    HG1  THR 104           HG1      THR 104   4.757 -12.106 -12.106
  677   1HG2  THR 104          3HG2      THR 104   5.893 -10.225 -10.225
  678   2HG2  THR 104          1HG2      THR 104   6.572 -11.848 -11.848
  679   3HG2  THR 104          2HG2      THR 104   6.464 -11.200 -11.200

  Start of MODEL   32
    1    H    ALA   1           HN       ALA   1  -9.117 -13.592 -13.592
    2    HA   ALA   1           HA       ALA   1  -8.775 -15.160 -15.160
    3   1HB   ALA   1          1HB       ALA   1  -8.888 -17.135 -17.135
    4   2HB   ALA   1          2HB       ALA   1  -7.435 -16.544 -16.544
    5   3HB   ALA   1          3HB       ALA   1  -7.338 -17.030 -17.030
    6    H    CYS   2           HN       CYS   2  -6.275 -15.369 -15.369
    7    HA   CYS   2           HA       CYS   2  -5.185 -12.994 -12.994
    8   1HB   CYS   2          2HB       CYS   2  -2.945 -14.595 -14.595
    9   2HB   CYS   2          3HB       CYS   2  -3.645 -14.212 -14.212
   10    H    ASP   3           HN       ASP   3  -4.343 -11.395 -11.395
   11    HA   ASP   3           HA       ASP   3  -3.643 -12.230 -12.230
   12   1HB   ASP   3          2HB       ASP   3  -5.470 -10.082 -10.082
   13   2HB   ASP   3          3HB       ASP   3  -4.370  -9.581  -9.581
   14    H    TYR   4           HN       TYR   4  -2.697 -10.909 -10.909
   15    HA   TYR   4           HA       TYR   4  -0.395  -9.587  -9.587
   16   1HB   TYR   4          2HB       TYR   4  -2.142  -8.739  -8.739
   17   2HB   TYR   4          3HB       TYR   4  -0.647  -7.932  -7.932
   18    HD1  TYR   4           HD2      TYR   4  -0.523  -6.966  -6.966
   19    HD2  TYR   4           HD1      TYR   4  -4.166  -7.956  -7.956
   20    HE1  TYR   4           HE2      TYR   4  -1.811  -5.430  -5.430
   21    HE2  TYR   4           HE1      TYR   4  -5.443  -6.415  -6.415
   22    HH   TYR   4           HH       TYR   4  -5.080  -4.568  -4.568
   23    H    THR   5           HN       THR   5   0.756 -11.602 -11.602
   24    HA   THR   5           HA       THR   5   1.049 -12.331 -12.331
   25    HB   THR   5           HB       THR   5   1.819 -13.607 -13.607
   26    HG1  THR   5           HG1      THR   5   0.048 -14.078 -14.078
   27   1HG2  THR   5          3HG2      THR   5   3.076 -14.018 -14.018
   28   2HG2  THR   5          1HG2      THR   5   1.996 -15.400 -15.400
   29   3HG2  THR   5          2HG2      THR   5   3.269 -14.993 -14.993
   30    H    CYS   6           HN       CYS   6   2.380 -10.989 -10.989
   31    HA   CYS   6           HA       CYS   6   4.654  -9.873  -9.873
   32   1HB   CYS   6          2HB       CYS   6   3.459  -9.633  -9.633
   33   2HB   CYS   6          3HB       CYS   6   5.099  -9.087  -9.087
   34    H    GLY   7           HN       GLY   7   5.257 -12.329 -12.329
   35   1HA   GLY   7          1HA       GLY   7   6.867 -13.884 -13.884
   36   2HA   GLY   7          2HA       GLY   7   7.488 -12.974 -12.974
   37    H    SER   8           HN       SER   8   5.540 -12.942 -12.942
   38    HA   SER   8           HA       SER   8   4.749 -15.729 -15.729
   39   1HB   SER   8          2HB       SER   8   5.578 -15.879 -15.879
   40   2HB   SER   8          3HB       SER   8   6.866 -15.083 -15.083
   41    HG   SER   8           HG       SER   8   5.657 -14.194 -14.194
   42    H    ASN   9           HN       ASN   9   2.911 -14.039 -14.039
   43    HA   ASN   9           HA       ASN   9   1.225 -13.563 -13.563
   44   1HB   ASN   9          2HB       ASN   9   1.501 -11.587 -11.587
   45   2HB   ASN   9          3HB       ASN   9   0.465 -11.389 -11.389
   46   1HD2  ASN   9          2HD2      ASN   9   4.592 -11.162 -11.162
   47   2HD2  ASN   9          1HD2      ASN   9   3.863 -12.209 -12.209
   48    H    CYS  10           HN       CYS  10  -1.087 -12.686 -12.686
   49    HA   CYS  10           HA       CYS  10  -1.613 -13.767 -13.767
   50   1HB   CYS  10          2HB       CYS  10  -1.297 -15.836 -15.836
   51   2HB   CYS  10          3HB       CYS  10  -3.006 -15.521 -15.521
   52    H    TYR  11           HN       TYR  11  -2.217 -11.343 -11.343
   53    HA   TYR  11           HA       TYR  11  -5.038 -11.453 -11.453
   54   1HB   TYR  11          2HB       TYR  11  -4.249  -9.006  -9.006
   55   2HB   TYR  11          3HB       TYR  11  -3.979 -10.412 -10.412
   56    HD1  TYR  11           HD2      TYR  11  -2.100  -9.372  -9.372
   57    HD2  TYR  11           HD1      TYR  11  -2.023  -9.880  -9.880
   58    HE1  TYR  11           HE2      TYR  11   0.395  -8.882  -8.882
   59    HE2  TYR  11           HE1      TYR  11   0.471  -9.389  -9.389
   60    HH   TYR  11           HH       TYR  11   2.030  -7.971  -7.971
   61    H    SER  12           HN       SER  12  -5.942 -11.274 -11.274
   62    HA   SER  12           HA       SER  12  -4.871  -9.619  -9.619
   63   1HB   SER  12          2HB       SER  12  -7.130  -9.940  -9.940
   64   2HB   SER  12          3HB       SER  12  -6.324 -11.428 -11.428
   65    HG   SER  12           HG       SER  12  -7.752 -10.774 -10.774
   66    H    SER  13           HN       SER  13  -6.736  -7.942  -7.942
   67    HA   SER  13           HA       SER  13  -6.534  -5.697  -5.697
   68   1HB   SER  13          2HB       SER  13  -8.156  -4.698  -4.698
   69   2HB   SER  13          3HB       SER  13  -7.084  -5.763  -5.763
   70    HG   SER  13           HG       SER  13  -8.720  -7.087  -7.087
   71    H    SER  14           HN       SER  14  -8.625  -8.419  -8.419
   72    HA   SER  14           HA       SER  14 -10.695  -6.948  -6.948
   73   1HB   SER  14          2HB       SER  14 -11.152  -9.072  -9.072
   74   2HB   SER  14          3HB       SER  14 -10.107  -9.941  -9.941
   75    HG   SER  14           HG       SER  14 -12.357  -8.413  -8.413
   76    H    ASP  15           HN       ASP  15  -7.673  -8.599  -8.599
   77    HA   ASP  15           HA       ASP  15  -8.320  -8.691  -8.691
   78   1HB   ASP  15          2HB       ASP  15  -6.010  -9.435  -9.435
   79   2HB   ASP  15          3HB       ASP  15  -5.602  -9.045  -9.045
   80    H    VAL  16           HN       VAL  16  -6.250  -6.773  -6.773
   81    HA   VAL  16           HA       VAL  16  -4.910  -5.215  -5.215
   82    HB   VAL  16           HB       VAL  16  -5.909  -4.574  -4.574
   83   1HG1  VAL  16          2HG1      VAL  16  -4.208  -3.038  -3.038
   84   2HG1  VAL  16          3HG1      VAL  16  -3.725  -3.049  -3.049
   85   3HG1  VAL  16          1HG1      VAL  16  -5.340  -2.463  -2.463
   86   1HG2  VAL  16          1HG2      VAL  16  -4.464  -6.563  -6.563
   87   2HG2  VAL  16          2HG2      VAL  16  -3.659  -5.221  -5.221
   88   3HG2  VAL  16          3HG2      VAL  16  -3.218  -5.603  -5.603
   89    H    SER  17           HN       SER  17  -8.137  -4.684  -4.684
   90    HA   SER  17           HA       SER  17  -8.782  -2.272  -2.272
   91   1HB   SER  17          2HB       SER  17 -10.327  -3.809  -3.809
   92   2HB   SER  17          3HB       SER  17 -10.535  -4.749  -4.749
   93    HG   SER  17           HG       SER  17 -11.970  -2.634  -2.634
   94    H    THR  18           HN       THR  18  -9.141  -5.205  -5.205
   95    HA   THR  18           HA       THR  18 -10.054  -3.979  -3.979
   96    HB   THR  18           HB       THR  18  -8.411  -6.424  -6.424
   97    HG1  THR  18           HG1      THR  18 -10.818  -5.843  -5.843
   98   1HG2  THR  18          3HG2      THR  18  -8.884  -5.269  -5.269
   99   2HG2  THR  18          1HG2      THR  18  -8.764  -7.024  -7.024
  100   3HG2  THR  18          2HG2      THR  18  -7.384  -5.967  -5.967
  101    H    ALA  19           HN       ALA  19  -6.603  -4.374  -4.374
  102    HA   ALA  19           HA       ALA  19  -5.551  -3.119  -3.119
  103   1HB   ALA  19          3HB       ALA  19  -4.360  -4.576  -4.576
  104   2HB   ALA  19          1HB       ALA  19  -4.376  -3.180  -3.180
  105   3HB   ALA  19          2HB       ALA  19  -3.499  -3.081  -3.081
  106    H    GLN  20           HN       GLN  20  -6.673  -1.883  -1.883
  107    HA   GLN  20           HA       GLN  20  -5.734   0.687   0.687
  108   1HB   GLN  20          2HB       GLN  20  -8.298  -0.094  -0.094
  109   2HB   GLN  20          3HB       GLN  20  -7.263   1.277   1.277
  110   1HG   GLN  20          2HG       GLN  20  -5.501  -0.119  -0.119
  111   2HG   GLN  20          3HG       GLN  20  -6.183  -1.564  -1.564
  112   1HE2  GLN  20          2HE2      GLN  20  -8.186   0.111   0.111
  113   2HE2  GLN  20          1HE2      GLN  20  -7.490   1.092   1.092
  114    H    ALA  21           HN       ALA  21  -9.039  -0.665  -0.665
  115    HA   ALA  21           HA       ALA  21 -10.377   1.453   1.453
  116   1HB   ALA  21          3HB       ALA  21 -10.168  -1.373  -1.373
  117   2HB   ALA  21          1HB       ALA  21 -11.199  -0.212  -0.212
  118   3HB   ALA  21          2HB       ALA  21 -11.511  -0.568  -0.568
  119    H    ALA  22           HN       ALA  22  -7.625  -0.099  -0.099
  120    HA   ALA  22           HA       ALA  22  -7.941   1.493   1.493
  121   1HB   ALA  22          1HB       ALA  22  -6.539  -0.820  -0.820
  122   2HB   ALA  22          2HB       ALA  22  -5.279   0.387   0.387
  123   3HB   ALA  22          3HB       ALA  22  -6.490  -0.023  -0.023
  124    H    GLY  23           HN       GLY  23  -5.638   1.461   1.461
  125   1HA   GLY  23          1HA       GLY  23  -4.089   3.627   3.627
  126   2HA   GLY  23          2HA       GLY  23  -4.470   3.130   3.130
  127    H    TYR  24           HN       TYR  24  -7.338   3.551   3.551
  128    HA   TYR  24           HA       TYR  24  -7.355   6.357   6.357
  129   1HB   TYR  24          2HB       TYR  24  -8.655   4.669   4.669
  130   2HB   TYR  24          3HB       TYR  24  -9.433   4.088   4.088
  131    HD1  TYR  24           HD2      TYR  24  -8.926   7.679   7.679
  132    HD2  TYR  24           HD1      TYR  24 -11.700   4.423   4.423
  133    HE1  TYR  24           HE2      TYR  24 -10.851   9.297   9.297
  134    HE2  TYR  24           HE1      TYR  24 -13.615   6.052   6.052
  135    HH   TYR  24           HH       TYR  24 -13.216   9.068   9.068
  136    H    LYS  25           HN       LYS  25  -9.606   4.379   4.379
  137    HA   LYS  25           HA       LYS  25 -10.787   6.290   6.290
  138   1HB   LYS  25          2HB       LYS  25 -11.204   3.884   3.884
  139   2HB   LYS  25          3HB       LYS  25  -9.700   3.698   3.698
  140   1HG   LYS  25          2HG       LYS  25 -11.424   3.882   3.882
  141   2HG   LYS  25          3HG       LYS  25 -10.568   5.411   5.411
  142   1HD   LYS  25          2HD       LYS  25 -12.313   6.494   6.494
  143   2HD   LYS  25          3HD       LYS  25 -13.107   4.962   4.962
  144   1HE   LYS  25          2HE       LYS  25 -13.294   4.782   4.782
  145   2HE   LYS  25          3HE       LYS  25 -12.941   6.500   6.500
  146   1HZ   LYS  25          2HZ       LYS  25 -14.878   6.006   6.006
  147   2HZ   LYS  25          3HZ       LYS  25 -15.352   5.262   5.262
  148   3HZ   LYS  25          1HZ       LYS  25 -15.026   6.862   6.862
  149    H    LEU  26           HN       LEU  26  -7.509   4.957   4.957
  150    HA   LEU  26           HA       LEU  26  -7.127   6.757   6.757
  151   1HB   LEU  26          2HB       LEU  26  -5.913   4.796   4.796
  152   2HB   LEU  26          3HB       LEU  26  -5.427   4.849   4.849
  153    HG   LEU  26           HG       LEU  26  -3.873   6.688   6.688
  154   1HD1  LEU  26          1HD1      LEU  26  -5.261   6.665   6.665
  155   2HD1  LEU  26          2HD1      LEU  26  -3.495   6.872   6.872
  156   3HD1  LEU  26          3HD1      LEU  26  -4.490   8.001   8.001
  157   1HD2  LEU  26          3HD2      LEU  26  -3.175   4.298   4.298
  158   2HD2  LEU  26          1HD2      LEU  26  -2.203   5.419   5.419
  159   3HD2  LEU  26          2HD2      LEU  26  -3.438   4.399   4.399
  160    H    HIS  27           HN       HIS  27  -6.480   6.830   6.830
  161    HA   HIS  27           HA       HIS  27  -4.802   9.076   9.076
  162   1HB   HIS  27          2HB       HIS  27  -4.655   7.783   7.783
  163   2HB   HIS  27          3HB       HIS  27  -6.393   7.656   7.656
  164    HD1  HIS  27           HD1      HIS  27  -3.886  10.577  10.577
  165    HD2  HIS  27           HD2      HIS  27  -7.235   9.177   9.177
  166    HE1  HIS  27           HE1      HIS  27  -4.306  12.255  12.255
  167    HE2  HIS  27           HE2      HIS  27  -6.342  11.313  11.313
  168    H    GLU  28           HN       GLU  28  -8.363   8.641   8.641
  169    HA   GLU  28           HA       GLU  28  -8.863  11.337  11.337
  170   1HB   GLU  28          2HB       GLU  28 -11.126  10.117  10.117
  171   2HB   GLU  28          3HB       GLU  28 -10.913  10.488  10.488
  172   1HG   GLU  28          2HG       GLU  28  -9.683   8.329   8.329
  173   2HG   GLU  28          3HG       GLU  28  -9.898   7.959   7.959
  174    H    ASP  29           HN       ASP  29  -8.269   9.464   9.464
  175    HA   ASP  29           HA       ASP  29  -9.411  11.429  11.429
  176   1HB   ASP  29          2HB       ASP  29  -7.554   9.065   9.065
  177   2HB   ASP  29          3HB       ASP  29  -8.259  10.052  10.052
  178    H    GLY  30           HN       GLY  30  -6.406  10.882  10.882
  179   1HA   GLY  30          1HA       GLY  30  -4.560  12.179  12.179
  180   2HA   GLY  30          2HA       GLY  30  -5.250  13.299  13.299
  181    H    GLU  31           HN       GLU  31  -5.106   9.875   9.875
  182    HA   GLU  31           HA       GLU  31  -3.133  10.585  10.585
  183   1HB   GLU  31          2HB       GLU  31  -5.301   8.525   8.525
  184   2HB   GLU  31          3HB       GLU  31  -3.889   8.080   8.080
  185   1HG   GLU  31          2HG       GLU  31  -5.373  10.707  10.707
  186   2HG   GLU  31          3HG       GLU  31  -5.813   9.234   9.234
  187    H    THR  32           HN       THR  32  -1.786   8.346   8.346
  188    HA   THR  32           HA       THR  32  -0.792   7.211   7.211
  189    HB   THR  32           HB       THR  32   1.542   7.657   7.657
  190    HG1  THR  32           HG1      THR  32   0.014   9.223   9.223
  191   1HG2  THR  32          1HG2      THR  32  -0.335  10.063  10.063
  192   2HG2  THR  32          2HG2      THR  32   1.429  10.237  10.237
  193   3HG2  THR  32          3HG2      THR  32   0.745   9.434   9.434
  194    H    VAL  33           HN       VAL  33   0.936   5.414   5.414
  195    HA   VAL  33           HA       VAL  33  -0.102   3.988   3.988
  196    HB   VAL  33           HB       VAL  33  -0.307   1.969   1.969
  197   1HG1  VAL  33          1HG1      VAL  33  -1.854   4.258   4.258
  198   2HG1  VAL  33          2HG1      VAL  33  -1.625   3.387   3.387
  199   3HG1  VAL  33          3HG1      VAL  33  -2.331   2.549   2.549
  200   1HG2  VAL  33          2HG2      VAL  33   0.997   3.460   3.460
  201   2HG2  VAL  33          3HG2      VAL  33   1.557   1.984   1.984
  202   3HG2  VAL  33          1HG2      VAL  33   0.117   1.930   1.930
  203    H    GLY  34           HN       GLY  34   1.426   2.199   2.199
  204   1HA   GLY  34          1HA       GLY  34   3.475   1.644   1.644
  205   2HA   GLY  34          2HA       GLY  34   3.989   1.852   1.852
  206    H    SER  35           HN       SER  35   6.066   2.678   2.678
  207    HA   SER  35           HA       SER  35   5.952   5.203   5.203
  208   1HB   SER  35          2HB       SER  35   8.406   4.913   4.913
  209   2HB   SER  35          3HB       SER  35   7.517   3.539   3.539
  210    HG   SER  35           HG       SER  35   7.977   2.395   2.395
  211    H    ASN  36           HN       ASN  36   5.171   4.702   4.702
  212    HA   ASN  36           HA       ASN  36   7.195   6.413   6.413
  213   1HB   ASN  36          2HB       ASN  36   5.630   4.084   4.084
  214   2HB   ASN  36          3HB       ASN  36   5.578   5.442   5.442
  215   1HD2  ASN  36          2HD2      ASN  36   8.452   3.586   3.586
  216   2HD2  ASN  36          1HD2      ASN  36   6.720   3.560   3.560
  217    H    SER  37           HN       SER  37   5.576   7.213   7.213
  218    HA   SER  37           HA       SER  37   3.433   8.649   8.649
  219   1HB   SER  37          2HB       SER  37   3.900  10.603  10.603
  220   2HB   SER  37          3HB       SER  37   5.439  10.057  10.057
  221    HG   SER  37           HG       SER  37   4.461  10.013  10.013
  222    H    TYR  38           HN       TYR  38   3.035   6.087   6.087
  223    HA   TYR  38           HA       TYR  38   1.931   6.586   6.586
  224   1HB   TYR  38          2HB       TYR  38   2.262   4.146   4.146
  225   2HB   TYR  38          3HB       TYR  38   1.590   4.030   4.030
  226    HD1  TYR  38           HD2      TYR  38   4.464   6.190   6.190
  227    HD2  TYR  38           HD1      TYR  38   3.212   2.581   2.581
  228    HE1  TYR  38           HE2      TYR  38   6.799   5.881   5.881
  229    HE2  TYR  38           HE1      TYR  38   5.552   2.283   2.283
  230    HH   TYR  38           HH       TYR  38   7.455   3.589   3.589
  231    HA   PRO  39           HA       PRO  39   0.614   5.481   5.481
  232   1HB   PRO  39          2HB       PRO  39  -1.478   6.338   6.338
  233   2HB   PRO  39          3HB       PRO  39  -1.339   4.698   4.698
  234   1HG   PRO  39          2HG       PRO  39  -3.106   6.873   6.873
  235   2HG   PRO  39          3HG       PRO  39  -3.241   5.149   5.149
  236   1HD   PRO  39          2HD       PRO  39  -2.302   7.125   7.125
  237   2HD   PRO  39          3HD       PRO  39  -2.328   5.389   5.389
  238    H    HIS  40           HN       HIS  40   0.440   6.952   6.952
  239    HA   HIS  40           HA       HIS  40   0.413   9.674   9.674
  240   1HB   HIS  40          2HB       HIS  40   2.716  10.309  10.309
  241   2HB   HIS  40          3HB       HIS  40   2.294   9.278   9.278
  242    HD1  HIS  40           HD1      HIS  40   4.049   9.013   9.013
  243    HD2  HIS  40           HD2      HIS  40   3.973   7.135   7.135
  244    HE1  HIS  40           HE1      HIS  40   5.927   7.285   7.285
  245    HE2  HIS  40           HE2      HIS  40   5.865   6.202   6.202
  246    H    LYS  41           HN       LYS  41   1.707  10.806  10.806
  247    HA   LYS  41           HA       LYS  41   0.784   9.815   9.815
  248   1HB   LYS  41          2HB       LYS  41   2.197  12.048  12.048
  249   2HB   LYS  41          3HB       LYS  41   3.292  11.301  11.301
  250   1HG   LYS  41          2HG       LYS  41   2.005  12.549  12.549
  251   2HG   LYS  41          3HG       LYS  41   1.076  11.064  11.064
  252   1HD   LYS  41          2HD       LYS  41  -0.371  13.079  13.079
  253   2HD   LYS  41          3HD       LYS  41  -0.495  11.962  11.962
  254   1HE   LYS  41          2HE       LYS  41   1.673  13.927  13.927
  255   2HE   LYS  41          3HE       LYS  41   0.116  14.701  14.701
  256   1HZ   LYS  41          3HZ       LYS  41  -0.758  13.236  13.236
  257   2HZ   LYS  41          1HZ       LYS  41   0.727  12.596  12.596
  258   3HZ   LYS  41          2HZ       LYS  41   0.457  14.173  14.173
  259    H    TYR  42           HN       TYR  42   2.214   9.142   9.142
  260    HA   TYR  42           HA       TYR  42   4.444   7.457   7.457
  261   1HB   TYR  42          2HB       TYR  42   2.488   5.976   5.976
  262   2HB   TYR  42          3HB       TYR  42   1.729   6.575   6.575
  263    HD1  TYR  42           HD1      TYR  42   2.460   5.795   5.795
  264    HD2  TYR  42           HD2      TYR  42   4.260   4.297   4.297
  265    HE1  TYR  42           HE1      TYR  42   3.483   3.872   3.872
  266    HE2  TYR  42           HE2      TYR  42   5.276   2.379   2.379
  267    HH   TYR  42           HH       TYR  42   5.927   1.925   1.925
  268    H    ASN  43           HN       ASN  43   3.393   9.861   9.861
  269    HA   ASN  43           HA       ASN  43   3.260   9.874   9.874
  270   1HB   ASN  43          2HB       ASN  43   5.556  10.935  10.935
  271   2HB   ASN  43          3HB       ASN  43   5.869  10.853  10.853
  272   1HD2  ASN  43          2HD2      ASN  43   2.388  12.873  12.873
  273   2HD2  ASN  43          1HD2      ASN  43   2.700  11.258  11.258
  274    H    ASN  44           HN       ASN  44   3.284   7.707   7.707
  275    HA   ASN  44           HA       ASN  44   5.422   6.002   6.002
  276   1HB   ASN  44          2HB       ASN  44   4.301   4.782   4.782
  277   2HB   ASN  44          3HB       ASN  44   3.017   5.580   5.580
  278   1HD2  ASN  44          2HD2      ASN  44   4.000   6.641   6.641
  279   2HD2  ASN  44          1HD2      ASN  44   5.019   5.645   5.645
  280    H    TYR  45           HN       TYR  45   6.644   5.308   5.308
  281    HA   TYR  45           HA       TYR  45   7.093   7.178   7.178
  282   1HB   TYR  45          2HB       TYR  45   8.607   7.394   7.394
  283   2HB   TYR  45          3HB       TYR  45   9.626   7.414   7.414
  284    HD1  TYR  45           HD1      TYR  45   6.575   8.764   8.764
  285    HD2  TYR  45           HD2      TYR  45  10.018   9.744   9.744
  286    HE1  TYR  45           HE1      TYR  45   6.091  11.240  11.240
  287    HE2  TYR  45           HE2      TYR  45   9.523  12.217  12.217
  288    HH   TYR  45           HH       TYR  45   7.927  13.461  13.461
  289    H    GLU  46           HN       GLU  46   8.578   4.688   4.688
  290    HA   GLU  46           HA       GLU  46  10.519   3.736   3.736
  291   1HB   GLU  46          2HB       GLU  46   8.487   2.108   2.108
  292   2HB   GLU  46          3HB       GLU  46  10.014   1.473   1.473
  293   1HG   GLU  46          2HG       GLU  46   9.474   3.289   3.289
  294   2HG   GLU  46          3HG       GLU  46  10.796   2.163   2.163
  295    H    GLY  47           HN       GLY  47   7.115   3.765   3.765
  296   1HA   GLY  47          1HA       GLY  47   6.646   3.488   3.488
  297   2HA   GLY  47          2HA       GLY  47   7.637   2.043   2.043
  298    H    PHE  48           HN       PHE  48   4.969   3.390   3.390
  299    HA   PHE  48           HA       PHE  48   3.791   0.713   0.713
  300   1HB   PHE  48          2HB       PHE  48   3.526   3.230   3.230
  301   2HB   PHE  48          3HB       PHE  48   2.469   1.848   1.848
  302    HD1  PHE  48           HD2      PHE  48   3.492  -0.371  -0.371
  303    HD2  PHE  48           HD1      PHE  48   5.680   3.263   3.263
  304    HE1  PHE  48           HE2      PHE  48   5.178  -1.428  -1.428
  305    HE2  PHE  48           HE1      PHE  48   7.365   2.207   2.207
  306    HZ   PHE  48           HZ       PHE  48   7.094  -0.125  -0.125
  307    H    ASP  49           HN       ASP  49   1.815   0.323   0.323
  308    HA   ASP  49           HA       ASP  49   0.613   2.613   2.613
  309   1HB   ASP  49          2HB       ASP  49  -0.388  -0.199  -0.199
  310   2HB   ASP  49          3HB       ASP  49  -0.274   1.108   1.108
  311    H    PHE  50           HN       PHE  50  -0.236   3.271   3.271
  312    HA   PHE  50           HA       PHE  50  -2.123   1.563   1.563
  313   1HB   PHE  50          2HB       PHE  50  -1.411   4.553   4.553
  314   2HB   PHE  50          3HB       PHE  50  -2.520   3.789   3.789
  315    HD1  PHE  50           HD1      PHE  50  -0.536   1.172   1.172
  316    HD2  PHE  50           HD2      PHE  50  -0.194   5.190   5.190
  317    HE1  PHE  50           HE1      PHE  50   1.395   0.525   0.525
  318    HE2  PHE  50           HE2      PHE  50   1.737   4.543   4.543
  319    HZ   PHE  50           HZ       PHE  50   2.508   2.218   2.218
  320    H    SER  51           HN       SER  51  -4.164   1.173   1.173
  321    HA   SER  51           HA       SER  51  -5.285   2.798   2.798
  322   1HB   SER  51          2HB       SER  51  -7.175   1.252   1.252
  323   2HB   SER  51          3HB       SER  51  -5.680   0.341   0.341
  324    HG   SER  51           HG       SER  51  -6.059  -0.225  -0.225
  325    H    VAL  52           HN       VAL  52  -4.638   4.126   4.126
  326    HA   VAL  52           HA       VAL  52  -7.320   5.184   5.184
  327    HB   VAL  52           HB       VAL  52  -6.917   5.246   5.246
  328   1HG1  VAL  52          1HG1      VAL  52  -7.219   2.859   2.859
  329   2HG1  VAL  52          2HG1      VAL  52  -6.143   2.477   2.477
  330   3HG1  VAL  52          3HG1      VAL  52  -7.748   3.185   3.185
  331   1HG2  VAL  52          3HG2      VAL  52  -4.233   5.215   5.215
  332   2HG2  VAL  52          1HG2      VAL  52  -4.919   5.028   5.028
  333   3HG2  VAL  52          2HG2      VAL  52  -4.488   3.589   3.589
  334    H    SER  53           HN       SER  53  -7.366   7.436   7.436
  335    HA   SER  53           HA       SER  53  -5.041   8.778   8.778
  336   1HB   SER  53          2HB       SER  53  -7.837   9.717   9.717
  337   2HB   SER  53          3HB       SER  53  -6.579  10.829  10.829
  338    HG   SER  53           HG       SER  53  -7.092   8.560   8.560
  339    H    SER  54           HN       SER  54  -3.650  10.087  10.087
  340    HA   SER  54           HA       SER  54  -3.220   9.586   9.586
  341   1HB   SER  54          2HB       SER  54  -1.663  11.297  11.297
  342   2HB   SER  54          3HB       SER  54  -1.986  11.130  11.130
  343    HG   SER  54           HG       SER  54  -2.753  13.194  13.194
  344    HA   PRO  55           HA       PRO  55  -2.239  11.473  11.473
  345   1HB   PRO  55          2HB       PRO  55  -2.155  11.718  11.718
  346   2HB   PRO  55          3HB       PRO  55  -2.094  13.090  13.090
  347   1HG   PRO  55          2HG       PRO  55  -4.345  12.146  12.146
  348   2HG   PRO  55          3HG       PRO  55  -4.115  13.715  13.715
  349   1HD   PRO  55          2HD       PRO  55  -5.855  11.621  11.621
  350   2HD   PRO  55          3HD       PRO  55  -5.537  13.142  13.142
  351    H    TYR  56           HN       TYR  56  -0.724   9.884   9.884
  352    HA   TYR  56           HA       TYR  56  -2.092   7.366   7.366
  353   1HB   TYR  56          2HB       TYR  56   0.806   8.241   8.241
  354   2HB   TYR  56          3HB       TYR  56   0.306   6.563   6.563
  355    HD1  TYR  56           HD1      TYR  56  -2.237   6.557   6.557
  356    HD2  TYR  56           HD2      TYR  56   1.402   8.655   8.655
  357    HE1  TYR  56           HE1      TYR  56  -2.816   6.620   6.620
  358    HE2  TYR  56           HE2      TYR  56   0.812   8.711   8.711
  359    HH   TYR  56           HH       TYR  56  -0.642   8.213   8.213
  360    H    TYR  57           HN       TYR  57  -2.424   6.710   6.710
  361    HA   TYR  57           HA       TYR  57  -0.572   7.661   7.661
  362   1HB   TYR  57          2HB       TYR  57  -3.227   6.094   6.094
  363   2HB   TYR  57          3HB       TYR  57  -2.442   6.747   6.747
  364    HD1  TYR  57           HD2      TYR  57  -1.649   9.337   9.337
  365    HD2  TYR  57           HD1      TYR  57  -5.261   7.368   7.368
  366    HE1  TYR  57           HE2      TYR  57  -2.936  11.510  11.510
  367    HE2  TYR  57           HE1      TYR  57  -6.536   9.548   9.548
  368    HH   TYR  57           HH       TYR  57  -4.910  12.541  12.541
  369    H    GLU  58           HN       GLU  58   0.994   6.373   6.373
  370    HA   GLU  58           HA       GLU  58   0.992   3.623   3.623
  371   1HB   GLU  58          2HB       GLU  58   3.312   3.595   3.595
  372   2HB   GLU  58          3HB       GLU  58   3.058   4.960   4.960
  373   1HG   GLU  58          2HG       GLU  58   4.217   5.913   5.913
  374   2HG   GLU  58          3HG       GLU  58   2.546   6.337   6.337
  375    H    TRP  59           HN       TRP  59   0.695   1.846   1.846
  376    HA   TRP  59           HA       TRP  59   0.738   2.225   2.225
  377   1HB   TRP  59          2HB       TRP  59  -1.488   2.958   2.958
  378   2HB   TRP  59          3HB       TRP  59  -1.818   1.655   1.655
  379    HD1  TRP  59           HD1      TRP  59  -2.693  -0.629  -0.629
  380    HE1  TRP  59           HE1      TRP  59  -3.314  -1.523  -1.523
  381    HE3  TRP  59           HE3      TRP  59  -0.660   3.273   3.273
  382    HZ2  TRP  59           HZ2      TRP  59  -2.893  -0.521  -0.521
  383    HZ3  TRP  59           HZ3      TRP  59  -0.807   3.238   3.238
  384    HH2  TRP  59           HH2      TRP  59  -1.877   1.427   1.427
  385    HA   PRO  60           HA       PRO  60   2.142  -1.849  -1.849
  386   1HB   PRO  60          2HB       PRO  60   2.426  -2.626  -2.626
  387   2HB   PRO  60          3HB       PRO  60   3.629  -1.681  -1.681
  388   1HG   PRO  60          2HG       PRO  60   1.695  -0.799  -0.799
  389   2HG   PRO  60          3HG       PRO  60   3.156   0.000   0.000
  390   1HD   PRO  60          2HD       PRO  60   0.460   0.687   0.687
  391   2HD   PRO  60          3HD       PRO  60   1.923   1.410   1.410
  392    H    ILE  61           HN       ILE  61   1.518  -4.022  -4.022
  393    HA   ILE  61           HA       ILE  61  -1.245  -4.345  -4.345
  394    HB   ILE  61           HB       ILE  61  -0.954  -4.226  -4.226
  395   1HG1  ILE  61          2HG1      ILE  61  -1.933  -6.851  -6.851
  396   2HG1  ILE  61          3HG1      ILE  61  -2.864  -5.381  -5.381
  397   1HG2  ILE  61          1HG2      ILE  61   1.273  -5.229  -5.229
  398   2HG2  ILE  61          2HG2      ILE  61   0.611  -6.799  -6.799
  399   3HG2  ILE  61          3HG2      ILE  61   0.097  -6.078  -6.078
  400   1HD1  ILE  61          1HD1      ILE  61  -1.998  -5.675  -5.675
  401   2HD1  ILE  61          2HD1      ILE  61  -1.984  -7.381  -7.381
  402   3HD1  ILE  61          3HD1      ILE  61  -3.490  -6.435  -6.435
  403    H    LEU  62           HN       LEU  62  -1.556  -5.820  -5.820
  404    HA   LEU  62           HA       LEU  62   0.694  -7.532  -7.532
  405   1HB   LEU  62          2HB       LEU  62  -1.896  -6.998  -6.998
  406   2HB   LEU  62          3HB       LEU  62  -0.556  -7.951  -7.951
  407    HG   LEU  62           HG       LEU  62  -0.456  -4.989  -4.989
  408   1HD1  LEU  62          2HD1      LEU  62  -1.038  -6.520  -6.520
  409   2HD1  LEU  62          3HD1      LEU  62  -0.042  -5.051  -5.051
  410   3HD1  LEU  62          1HD1      LEU  62  -1.675  -4.958  -4.958
  411   1HD2  LEU  62          2HD2      LEU  62   1.701  -6.121  -6.121
  412   2HD2  LEU  62          3HD2      LEU  62   1.745  -4.997  -4.997
  413   3HD2  LEU  62          1HD2      LEU  62   1.633  -6.751  -6.751
  414    H    SER  63           HN       SER  63   0.840  -9.539  -9.539
  415    HA   SER  63           HA       SER  63  -1.063 -10.654 -10.654
  416   1HB   SER  63          2HB       SER  63   0.188 -12.827 -12.827
  417   2HB   SER  63          3HB       SER  63   1.191 -11.478 -11.478
  418    HG   SER  63           HG       SER  63   1.968 -12.800 -12.800
  419    H    SER  64           HN       SER  64  -1.017 -10.343 -10.343
  420    HA   SER  64           HA       SER  64  -2.585 -12.649 -12.649
  421   1HB   SER  64          2HB       SER  64  -2.487 -10.336 -10.336
  422   2HB   SER  64          3HB       SER  64  -2.406 -12.054 -12.054
  423    HG   SER  64           HG       SER  64  -0.343 -10.245 -10.245
  424    H    GLY  65           HN       GLY  65  -3.161  -9.473  -9.473
  425   1HA   GLY  65          1HA       GLY  65  -5.135  -8.654  -8.654
  426   2HA   GLY  65          2HA       GLY  65  -6.019  -9.930  -9.930
  427    H    ASP  66           HN       ASP  66  -3.600  -7.821  -7.821
  428    HA   ASP  66           HA       ASP  66  -5.803  -6.798  -6.798
  429   1HB   ASP  66          2HB       ASP  66  -2.837  -7.197  -7.197
  430   2HB   ASP  66          3HB       ASP  66  -3.829  -6.187  -6.187
  431    H    VAL  67           HN       VAL  67  -4.641  -4.540  -4.540
  432    HA   VAL  67           HA       VAL  67  -4.081  -2.886  -2.886
  433    HB   VAL  67           HB       VAL  67  -5.411  -2.385  -2.385
  434   1HG1  VAL  67          2HG1      VAL  67  -3.673  -0.600  -0.600
  435   2HG1  VAL  67          3HG1      VAL  67  -4.632  -0.186  -0.186
  436   3HG1  VAL  67          1HG1      VAL  67  -5.348  -0.027  -0.027
  437   1HG2  VAL  67          3HG2      VAL  67  -6.203  -2.028  -2.028
  438   2HG2  VAL  67          1HG2      VAL  67  -6.918  -3.118  -3.118
  439   3HG2  VAL  67          2HG2      VAL  67  -7.139  -1.359  -1.359
  440    H    TYR  68           HN       TYR  68  -1.920  -2.626  -2.626
  441    HA   TYR  68           HA       TYR  68   0.090  -3.133  -3.133
  442   1HB   TYR  68          2HB       TYR  68   0.583  -2.435  -2.435
  443   2HB   TYR  68          3HB       TYR  68  -0.491  -1.056  -1.056
  444    HD1  TYR  68           HD2      TYR  68   2.660  -2.296  -2.296
  445    HD2  TYR  68           HD1      TYR  68   0.481   1.047   1.047
  446    HE1  TYR  68           HE2      TYR  68   4.642  -0.776  -0.776
  447    HE2  TYR  68           HE1      TYR  68   2.472   2.556   2.556
  448    HH   TYR  68           HH       TYR  68   5.352   1.694   1.694
  449    H    SER  69           HN       SER  69  -0.185  -2.655  -2.655
  450    HA   SER  69           HA       SER  69  -0.221   0.208   0.208
  451   1HB   SER  69          2HB       SER  69  -1.541  -0.158  -0.158
  452   2HB   SER  69          3HB       SER  69  -2.263  -1.209  -1.209
  453    HG   SER  69           HG       SER  69  -1.522  -2.996  -2.996
  454    H    GLY  70           HN       GLY  70   2.029  -1.807  -1.807
  455   1HA   GLY  70          1HA       GLY  70   3.332  -1.860  -1.860
  456   2HA   GLY  70          2HA       GLY  70   3.774  -2.803  -2.803
  457    H    GLY  71           HN       GLY  71   4.602  -1.552  -1.552
  458   1HA   GLY  71          1HA       GLY  71   5.404   0.677   0.677
  459   2HA   GLY  71          2HA       GLY  71   6.110   0.828   0.828
  460    H    SER  72           HN       SER  72   6.012  -2.232  -2.232
  461    HA   SER  72           HA       SER  72   8.812  -1.872  -1.872
  462   1HB   SER  72          2HB       SER  72   7.899  -3.500  -3.500
  463   2HB   SER  72          3HB       SER  72   8.369  -4.606  -4.606
  464    HG   SER  72           HG       SER  72  10.054  -2.422  -2.422
  465    HA   PRO  73           HA       PRO  73   6.064  -4.075  -4.075
  466   1HB   PRO  73          2HB       PRO  73   5.342  -2.042  -2.042
  467   2HB   PRO  73          3HB       PRO  73   4.307  -2.640  -2.640
  468   1HG   PRO  73          2HG       PRO  73   5.879  -0.138  -0.138
  469   2HG   PRO  73          3HG       PRO  73   4.536  -0.551  -0.551
  470   1HD   PRO  73          2HD       PRO  73   7.316  -0.516  -0.516
  471   2HD   PRO  73          3HD       PRO  73   5.986  -1.041  -1.041
  472    H    GLY  74           HN       GLY  74   6.902  -1.563  -1.563
  473   1HA   GLY  74          1HA       GLY  74   8.730  -1.273  -1.273
  474   2HA   GLY  74          2HA       GLY  74   9.549  -2.599  -2.599
  475    H    ALA  75           HN       ALA  75   8.972  -4.850  -4.850
  476    HA   ALA  75           HA       ALA  75   8.970  -5.355  -5.355
  477   1HB   ALA  75          1HB       ALA  75   7.816  -6.978  -6.978
  478   2HB   ALA  75          2HB       ALA  75   8.092  -7.632  -7.632
  479   3HB   ALA  75          3HB       ALA  75   9.468  -7.055  -7.055
  480    H    ASP  76           HN       ASP  76   6.105  -6.847  -6.847
  481    HA   ASP  76           HA       ASP  76   4.566  -6.165  -6.165
  482   1HB   ASP  76          2HB       ASP  76   3.636  -6.832  -6.832
  483   2HB   ASP  76          3HB       ASP  76   2.642  -6.948  -6.948
  484    H    ARG  77           HN       ARG  77   3.387  -4.294  -4.294
  485    HA   ARG  77           HA       ARG  77   2.445  -2.651  -2.651
  486   1HB   ARG  77          2HB       ARG  77   4.242  -1.340  -1.340
  487   2HB   ARG  77          3HB       ARG  77   3.609  -0.619  -0.619
  488   1HG   ARG  77          2HG       ARG  77   5.630  -2.907  -2.907
  489   2HG   ARG  77          3HG       ARG  77   6.008  -1.237  -1.237
  490   1HD   ARG  77          2HD       ARG  77   5.066  -1.342  -1.342
  491   2HD   ARG  77          3HD       ARG  77   3.866  -2.531  -2.531
  492    HE   ARG  77           HE       ARG  77   6.693  -3.438  -3.438
  493   1HH1  ARG  77           HH2      ARG  77   3.574  -3.366  -3.366
  494   2HH1  ARG  77           HH2      ARG  77   3.940  -4.705  -4.705
  495   1HH2  ARG  77           HH1      ARG  77   7.176  -5.204  -5.204
  496   2HH2  ARG  77           HH1      ARG  77   6.003  -5.758  -5.758
  497    H    VAL  78           HN       VAL  78   0.629  -1.399  -1.399
  498    HA   VAL  78           HA       VAL  78  -0.115  -1.813  -1.813
  499    HB   VAL  78           HB       VAL  78  -2.449  -1.329  -1.329
  500   1HG1  VAL  78          3HG1      VAL  78  -0.858  -3.868  -3.868
  501   2HG1  VAL  78          1HG1      VAL  78  -2.583  -3.780  -3.780
  502   3HG1  VAL  78          2HG1      VAL  78  -2.069  -3.474  -3.474
  503   1HG2  VAL  78          2HG2      VAL  78  -1.666  -0.545  -0.545
  504   2HG2  VAL  78          3HG2      VAL  78  -2.747  -1.952  -1.952
  505   3HG2  VAL  78          1HG2      VAL  78  -0.988  -2.156  -2.156
  506    H    VAL  79           HN       VAL  79  -0.953  -0.042  -0.042
  507    HA   VAL  79           HA       VAL  79  -0.546   2.561   2.561
  508    HB   VAL  79           HB       VAL  79   0.211   1.650   1.650
  509   1HG1  VAL  79          3HG1      VAL  79  -0.847   4.099   4.099
  510   2HG1  VAL  79          1HG1      VAL  79   0.870   4.413   4.413
  511   3HG1  VAL  79          2HG1      VAL  79   0.382   3.783   3.783
  512   1HG2  VAL  79          1HG2      VAL  79   1.677   1.345   1.345
  513   2HG2  VAL  79          2HG2      VAL  79   2.403   1.777   1.777
  514   3HG2  VAL  79          3HG2      VAL  79   2.092   3.040   3.040
  515    H    PHE  80           HN       PHE  80  -2.126   4.126   4.126
  516    HA   PHE  80           HA       PHE  80  -4.141   3.611   3.611
  517   1HB   PHE  80          2HB       PHE  80  -5.947   3.421   3.421
  518   2HB   PHE  80          3HB       PHE  80  -4.705   2.332   2.332
  519    HD1  PHE  80           HD2      PHE  80  -2.989   3.427   3.427
  520    HD2  PHE  80           HD1      PHE  80  -6.883   4.918   4.918
  521    HE1  PHE  80           HE2      PHE  80  -2.980   4.617   4.617
  522    HE2  PHE  80           HE1      PHE  80  -6.875   6.107   6.107
  523    HZ   PHE  80           HZ       PHE  80  -4.923   5.943   5.943
  524    H    ASN  81           HN       ASN  81  -5.750   5.464   5.464
  525    HA   ASN  81           HA       ASN  81  -4.332   7.880   7.880
  526   1HB   ASN  81          2HB       ASN  81  -4.973   8.744   8.744
  527   2HB   ASN  81          3HB       ASN  81  -5.394   7.099   7.099
  528   1HD2  ASN  81          2HD2      ASN  81  -8.910   7.444   7.444
  529   2HD2  ASN  81          1HD2      ASN  81  -7.578   6.347   6.347
  530    H    GLU  82           HN       GLU  82  -7.593   8.350   8.350
  531    HA   GLU  82           HA       GLU  82  -8.529   9.679   9.679
  532   1HB   GLU  82          2HB       GLU  82  -9.871   9.419   9.419
  533   2HB   GLU  82          3HB       GLU  82  -9.993   7.684   7.684
  534   1HG   GLU  82          2HG       GLU  82 -11.194   8.194   8.194
  535   2HG   GLU  82          3HG       GLU  82 -11.296   9.855   9.855
  536    H    ASN  83           HN       ASN  83  -9.137   6.098   6.098
  537    HA   ASN  83           HA       ASN  83  -8.567   5.743   5.743
  538   1HB   ASN  83          2HB       ASN  83 -11.017   4.631   4.631
  539   2HB   ASN  83          3HB       ASN  83 -10.739   6.314   6.314
  540   1HD2  ASN  83          2HD2      ASN  83 -11.920   5.990   5.990
  541   2HD2  ASN  83          1HD2      ASN  83 -10.447   5.315   5.315
  542    H    ASN  84           HN       ASN  84 -11.004   4.133   4.133
  543    HA   ASN  84           HA       ASN  84  -9.559   1.683   1.683
  544   1HB   ASN  84          2HB       ASN  84 -11.500   0.655   0.655
  545   2HB   ASN  84          3HB       ASN  84 -12.154   2.011   2.011
  546   1HD2  ASN  84          2HD2      ASN  84 -13.142   3.940   3.940
  547   2HD2  ASN  84          1HD2      ASN  84 -12.669   3.966   3.966
  548    H    GLN  85           HN       GLN  85  -8.512   4.137   4.137
  549    HA   GLN  85           HA       GLN  85  -8.665   3.306   3.306
  550   1HB   GLN  85          2HB       GLN  85  -6.619   5.235   5.235
  551   2HB   GLN  85          3HB       GLN  85  -8.274   5.516   5.516
  552   1HG   GLN  85          2HG       GLN  85  -7.476   6.923   6.923
  553   2HG   GLN  85          3HG       GLN  85  -8.977   6.055   6.055
  554   1HE2  GLN  85          1HE2      GLN  85  -8.655   3.744   3.744
  555   2HE2  GLN  85          2HE2      GLN  85  -7.557   3.543   3.543
  556    H    LEU  86           HN       LEU  86  -7.526   1.399   1.399
  557    HA   LEU  86           HA       LEU  86  -4.996   1.070   1.070
  558   1HB   LEU  86          2HB       LEU  86  -6.006  -0.871  -0.871
  559   2HB   LEU  86          3HB       LEU  86  -7.108  -0.726  -0.726
  560    HG   LEU  86           HG       LEU  86  -4.214  -1.560  -1.560
  561   1HD1  LEU  86          1HD1      LEU  86  -6.273  -3.034  -3.034
  562   2HD1  LEU  86          2HD1      LEU  86  -6.077  -3.720  -3.720
  563   3HD1  LEU  86          3HD1      LEU  86  -4.677  -3.613  -3.613
  564   1HD2  LEU  86          1HD2      LEU  86  -6.391  -1.005  -1.005
  565   2HD2  LEU  86          2HD2      LEU  86  -4.649  -1.209  -1.209
  566   3HD2  LEU  86          3HD2      LEU  86  -5.710  -2.636  -2.636
  567    H    ALA  87           HN       ALA  87  -3.137   1.594   1.594
  568    HA   ALA  87           HA       ALA  87  -3.133   2.161   2.161
  569   1HB   ALA  87          3HB       ALA  87  -1.479   2.612   2.612
  570   2HB   ALA  87          1HB       ALA  87  -0.483   1.996   1.996
  571   3HB   ALA  87          2HB       ALA  87  -1.471   3.460   3.460
  572    H    GLY  88           HN       GLY  88  -1.909  -0.484  -0.484
  573   1HA   GLY  88          1HA       GLY  88  -2.213  -2.510  -2.510
  574   2HA   GLY  88          2HA       GLY  88  -0.595  -1.889  -1.889
  575    H    VAL  89           HN       VAL  89   0.680  -3.515  -3.515
  576    HA   VAL  89           HA       VAL  89   0.544  -3.772  -3.772
  577    HB   VAL  89           HB       VAL  89   0.303  -6.109  -6.109
  578   1HG1  VAL  89          1HG1      VAL  89   1.704  -6.041  -6.041
  579   2HG1  VAL  89          2HG1      VAL  89   0.129  -6.763  -6.763
  580   3HG1  VAL  89          3HG1      VAL  89   1.136  -7.485  -7.485
  581   1HG2  VAL  89          2HG2      VAL  89  -1.567  -4.759  -4.759
  582   2HG2  VAL  89          3HG2      VAL  89  -1.872  -5.390  -5.390
  583   3HG2  VAL  89          1HG2      VAL  89  -1.708  -6.513  -6.513
  584    H    ILE  90           HN       ILE  90   2.516  -2.637  -2.637
  585    HA   ILE  90           HA       ILE  90   4.708  -3.620  -3.620
  586    HB   ILE  90           HB       ILE  90   5.932  -1.754  -1.754
  587   1HG1  ILE  90          2HG1      ILE  90   3.928  -1.886  -1.886
  588   2HG1  ILE  90          3HG1      ILE  90   5.539  -1.197  -1.197
  589   1HG2  ILE  90          3HG2      ILE  90   4.006  -1.561  -1.561
  590   2HG2  ILE  90          1HG2      ILE  90   3.252  -0.544  -0.544
  591   3HG2  ILE  90          2HG2      ILE  90   4.856  -0.120  -0.120
  592   1HD1  ILE  90          1HD1      ILE  90   4.451   0.720   0.720
  593   2HD1  ILE  90          2HD1      ILE  90   2.926   0.105   0.105
  594   3HD1  ILE  90          3HD1      ILE  90   4.205   0.710   0.710
  595    H    THR  91           HN       THR  91   6.873  -4.019  -4.019
  596    HA   THR  91           HA       THR  91   6.743  -4.942  -4.942
  597    HB   THR  91           HB       THR  91   5.674  -6.909  -6.909
  598    HG1  THR  91           HG1      THR  91   7.704  -8.365  -8.365
  599   1HG2  THR  91          3HG2      THR  91   7.551  -6.817  -6.817
  600   2HG2  THR  91          1HG2      THR  91   6.341  -8.082  -8.082
  601   3HG2  THR  91          2HG2      THR  91   5.817  -6.420  -6.420
  602    H    HIS  92           HN       HIS  92   8.846  -5.717  -5.717
  603    HA   HIS  92           HA       HIS  92  10.910  -4.264  -4.264
  604   1HB   HIS  92          2HB       HIS  92  10.703  -5.678  -5.678
  605   2HB   HIS  92          3HB       HIS  92  12.251  -5.132  -5.132
  606    HD1  HIS  92           HD1      HIS  92  12.346  -3.459  -3.459
  607    HD2  HIS  92           HD2      HIS  92   9.273  -2.725  -2.725
  608    HE1  HIS  92           HE1      HIS  92  11.482  -1.111  -1.111
  609    HE2  HIS  92           HE2      HIS  92   9.634  -0.695  -0.695
  610    H    THR  93           HN       THR  93   9.530  -7.194  -7.194
  611    HA   THR  93           HA       THR  93  11.353  -9.164  -9.164
  612    HB   THR  93           HB       THR  93   9.190  -8.283  -8.283
  613    HG1  THR  93           HG1      THR  93   9.229  -9.603  -9.603
  614   1HG2  THR  93          2HG2      THR  93  11.399 -10.207 -10.207
  615   2HG2  THR  93          3HG2      THR  93   9.745 -10.815 -10.815
  616   3HG2  THR  93          1HG2      THR  93  10.289  -9.351  -9.351
  617    H    GLY  94           HN       GLY  94  13.515  -8.538  -8.538
  618   1HA   GLY  94          1HA       GLY  94  15.419  -7.655  -7.655
  619   2HA   GLY  94          2HA       GLY  94  15.022  -8.848  -8.848
  620    H    ALA  95           HN       ALA  95  13.283  -5.769  -5.769
  621    HA   ALA  95           HA       ALA  95  13.024  -5.080  -5.080
  622   1HB   ALA  95          3HB       ALA  95  12.554  -3.784  -3.784
  623   2HB   ALA  95          1HB       ALA  95  12.546  -2.755  -2.755
  624   3HB   ALA  95          2HB       ALA  95  11.409  -4.118  -4.118
  625    H    SER  96           HN       SER  96  15.757  -5.094  -5.094
  626    HA   SER  96           HA       SER  96  17.820  -4.595  -4.595
  627   1HB   SER  96          2HB       SER  96  16.714  -3.822  -3.822
  628   2HB   SER  96          3HB       SER  96  16.790  -2.207  -2.207
  629    HG   SER  96           HG       SER  96  18.729  -2.330  -2.330
  630    H    GLY  97           HN       GLY  97  16.706  -3.945  -3.945
  631   1HA   GLY  97          1HA       GLY  97  17.946  -2.523  -2.523
  632   2HA   GLY  97          2HA       GLY  97  17.652  -1.179  -1.179
  633    H    ASN  98           HN       ASN  98  16.233   0.193   0.193
  634    HA   ASN  98           HA       ASN  98  14.112  -0.992  -0.992
  635   1HB   ASN  98          2HB       ASN  98  15.307   0.874   0.874
  636   2HB   ASN  98          3HB       ASN  98  15.093   1.881   1.881
  637   1HD2  ASN  98          2HD2      ASN  98  11.527   0.904   0.904
  638   2HD2  ASN  98          1HD2      ASN  98  12.658  -0.294  -0.294
  639    H    ASN  99           HN       ASN  99  14.626  -0.380  -0.380
  640    HA   ASN  99           HA       ASN  99  12.552   1.292   1.292
  641   1HB   ASN  99          2HB       ASN  99  12.808  -0.407  -0.407
  642   2HB   ASN  99          3HB       ASN  99  13.879   0.945   0.945
  643   1HD2  ASN  99          2HD2      ASN  99  15.154  -2.684  -2.684
  644   2HD2  ASN  99          1HD2      ASN  99  13.552  -2.082  -2.082
  645    H    PHE 100           HN       PHE 100  10.511   0.557   0.557
  646    HA   PHE 100           HA       PHE 100   9.489  -1.923  -1.923
  647   1HB   PHE 100          2HB       PHE 100   8.398   0.851   0.851
  648   2HB   PHE 100          3HB       PHE 100   7.270  -0.486  -0.486
  649    HD1  PHE 100           HD2      PHE 100   7.516  -2.167  -2.167
  650    HD2  PHE 100           HD1      PHE 100   8.447   1.973   1.973
  651    HE1  PHE 100           HE2      PHE 100   7.189  -2.076  -2.076
  652    HE2  PHE 100           HE1      PHE 100   8.119   2.063   2.063
  653    HZ   PHE 100           HZ       PHE 100   7.494   0.038   0.038
  654    H    VAL 101           HN       VAL 101   7.755  -3.033  -3.033
  655    HA   VAL 101           HA       VAL 101   7.613  -2.406  -2.406
  656    HB   VAL 101           HB       VAL 101   8.648  -4.448  -4.448
  657   1HG1  VAL 101          3HG1      VAL 101   9.959  -2.320  -2.320
  658   2HG1  VAL 101          1HG1      VAL 101  10.611  -2.939  -2.939
  659   3HG1  VAL 101          2HG1      VAL 101  10.953  -3.797  -3.797
  660   1HG2  VAL 101          3HG2      VAL 101   9.254  -4.933  -4.933
  661   2HG2  VAL 101          1HG2      VAL 101   8.437  -6.005  -6.005
  662   3HG2  VAL 101          2HG2      VAL 101  10.186  -5.706  -5.706
  663    H    GLU 102           HN       GLU 102   5.714  -3.217  -3.217
  664    HA   GLU 102           HA       GLU 102   3.807  -4.128  -4.128
  665   1HB   GLU 102          2HB       GLU 102   3.575  -5.013  -5.013
  666   2HB   GLU 102          3HB       GLU 102   2.423  -4.148  -4.148
  667   1HG   GLU 102          2HG       GLU 102   4.136  -2.155  -2.155
  668   2HG   GLU 102          3HG       GLU 102   4.833  -3.038  -3.038
  669    H    CYS 103           HN       CYS 103   3.340  -6.075  -6.075
  670    HA   CYS 103           HA       CYS 103   5.078  -8.196  -8.196
  671   1HB   CYS 103          2HB       CYS 103   2.159  -8.251  -8.251
  672   2HB   CYS 103          3HB       CYS 103   3.342  -9.491  -9.491
  673    H    THR 104           HN       THR 104   3.404 -10.511 -10.511
  674    HA   THR 104           HA       THR 104   2.996 -10.319 -10.319
  675    HB   THR 104           HB       THR 104   3.640 -12.712 -12.712
  676    HG1  THR 104           HG1      THR 104   4.365 -13.428 -13.428
  677   1HG2  THR 104          2HG2      THR 104   5.433 -10.674 -10.674
  678   2HG2  THR 104          3HG2      THR 104   5.685 -11.760 -11.760
  679   3HG2  THR 104          1HG2      THR 104   5.904 -12.369 -12.369

  Start of MODEL   33
    1    H    ALA   1           HN       ALA   1  -8.067 -16.105 -16.105
    2    HA   ALA   1           HA       ALA   1  -6.341 -16.471 -16.471
    3   1HB   ALA   1          1HB       ALA   1  -7.648 -14.178 -14.178
    4   2HB   ALA   1          2HB       ALA   1  -5.984 -14.675 -14.675
    5   3HB   ALA   1          3HB       ALA   1  -7.324 -15.835 -15.835
    6    H    CYS   2           HN       CYS   2  -4.199 -15.134 -15.134
    7    HA   CYS   2           HA       CYS   2  -3.880 -13.428 -13.428
    8   1HB   CYS   2          2HB       CYS   2  -1.378 -14.134 -14.134
    9   2HB   CYS   2          3HB       CYS   2  -1.997 -14.507 -14.507
   10    H    ASP   3           HN       ASP   3  -5.118 -11.895 -11.895
   11    HA   ASP   3           HA       ASP   3  -4.123 -10.966 -10.966
   12   1HB   ASP   3          2HB       ASP   3  -5.188  -9.320  -9.320
   13   2HB   ASP   3          3HB       ASP   3  -4.992  -8.675  -8.675
   14    H    TYR   4           HN       TYR   4  -2.754 -10.622 -10.622
   15    HA   TYR   4           HA       TYR   4  -0.472  -9.198  -9.198
   16   1HB   TYR   4          2HB       TYR   4  -1.890  -8.669  -8.669
   17   2HB   TYR   4          3HB       TYR   4  -0.506  -7.776  -7.776
   18    HD1  TYR   4           HD2      TYR   4  -0.808  -6.451  -6.451
   19    HD2  TYR   4           HD1      TYR   4  -4.073  -7.935  -7.935
   20    HE1  TYR   4           HE2      TYR   4  -2.371  -4.784  -4.784
   21    HE2  TYR   4           HE1      TYR   4  -5.624  -6.262  -6.262
   22    HH   TYR   4           HH       TYR   4  -5.807  -4.954  -4.954
   23    H    THR   5           HN       THR   5   1.061 -10.799 -10.799
   24    HA   THR   5           HA       THR   5   1.323 -12.136 -12.136
   25    HB   THR   5           HB       THR   5   1.500 -13.076 -13.076
   26    HG1  THR   5           HG1      THR   5   0.596 -14.951 -14.951
   27   1HG2  THR   5          2HG2      THR   5   3.413 -13.797 -13.797
   28   2HG2  THR   5          3HG2      THR   5   2.577 -15.180 -15.180
   29   3HG2  THR   5          1HG2      THR   5   3.543 -14.074 -14.074
   30    H    CYS   6           HN       CYS   6   2.808 -11.007 -11.007
   31    HA   CYS   6           HA       CYS   6   4.990  -9.773  -9.773
   32   1HB   CYS   6          2HB       CYS   6   4.101  -9.971  -9.971
   33   2HB   CYS   6          3HB       CYS   6   5.720  -9.413  -9.413
   34    H    GLY   7           HN       GLY   7   5.506 -12.069 -12.069
   35   1HA   GLY   7          1HA       GLY   7   7.309 -13.488 -13.488
   36   2HA   GLY   7          2HA       GLY   7   7.699 -13.167 -13.167
   37    H    SER   8           HN       SER   8   5.251 -13.715 -13.715
   38    HA   SER   8           HA       SER   8   4.260 -16.211 -16.211
   39   1HB   SER   8          2HB       SER   8   5.264 -17.696 -17.696
   40   2HB   SER   8          3HB       SER   8   6.595 -16.577 -16.577
   41    HG   SER   8           HG       SER   8   6.193 -15.630 -15.630
   42    H    ASN   9           HN       ASN   9   2.915 -13.853 -13.853
   43    HA   ASN   9           HA       ASN   9   1.632 -14.302 -14.302
   44   1HB   ASN   9          2HB       ASN   9   1.735 -11.675 -11.675
   45   2HB   ASN   9          3HB       ASN   9   1.072 -11.893 -11.893
   46   1HD2  ASN   9          2HD2      ASN   9   5.179 -12.093 -12.093
   47   2HD2  ASN   9          1HD2      ASN   9   4.057 -12.577 -12.577
   48    H    CYS  10           HN       CYS  10  -0.634 -12.586 -12.586
   49    HA   CYS  10           HA       CYS  10  -1.765 -13.019 -13.019
   50   1HB   CYS  10          2HB       CYS  10  -1.827 -15.365 -15.365
   51   2HB   CYS  10          3HB       CYS  10  -2.767 -14.891 -14.891
   52    H    TYR  11           HN       TYR  11  -1.921 -10.685 -10.685
   53    HA   TYR  11           HA       TYR  11  -3.791 -10.123 -10.123
   54   1HB   TYR  11          2HB       TYR  11  -2.460  -8.220  -8.220
   55   2HB   TYR  11          3HB       TYR  11  -2.948  -7.850  -7.850
   56    HD1  TYR  11           HD1      TYR  11  -1.671  -9.058  -9.058
   57    HD2  TYR  11           HD2      TYR  11  -0.240  -8.827  -8.827
   58    HE1  TYR  11           HE1      TYR  11   0.691  -9.542  -9.542
   59    HE2  TYR  11           HE2      TYR  11   2.118  -9.313  -9.313
   60    HH   TYR  11           HH       TYR  11   3.368  -8.969  -8.969
   61    H    SER  12           HN       SER  12  -5.026 -11.576 -11.576
   62    HA   SER  12           HA       SER  12  -6.054 -10.629 -10.629
   63   1HB   SER  12          2HB       SER  12  -7.882 -11.980 -11.980
   64   2HB   SER  12          3HB       SER  12  -6.933 -12.496 -12.496
   65    HG   SER  12           HG       SER  12  -8.199 -11.318 -11.318
   66    H    SER  13           HN       SER  13  -7.717  -9.137  -9.137
   67    HA   SER  13           HA       SER  13  -7.562  -6.639  -6.639
   68   1HB   SER  13          2HB       SER  13  -9.537  -6.188  -6.188
   69   2HB   SER  13          3HB       SER  13  -8.921  -7.670  -7.670
   70    HG   SER  13           HG       SER  13 -10.424  -8.718  -8.718
   71    H    SER  14           HN       SER  14  -9.200  -9.223  -9.223
   72    HA   SER  14           HA       SER  14 -10.765  -7.441  -7.441
   73   1HB   SER  14          2HB       SER  14 -11.514  -9.757  -9.757
   74   2HB   SER  14          3HB       SER  14 -10.159 -10.411 -10.411
   75    HG   SER  14           HG       SER  14 -12.434 -10.093 -10.093
   76    H    ASP  15           HN       ASP  15  -7.536  -8.815  -8.815
   77    HA   ASP  15           HA       ASP  15  -7.192  -8.533  -8.533
   78   1HB   ASP  15          2HB       ASP  15  -5.616  -9.456  -9.456
   79   2HB   ASP  15          3HB       ASP  15  -4.643  -8.636  -8.636
   80    H    VAL  16           HN       VAL  16  -6.676  -6.665  -6.665
   81    HA   VAL  16           HA       VAL  16  -4.925  -4.747  -4.747
   82    HB   VAL  16           HB       VAL  16  -6.568  -4.690  -4.690
   83   1HG1  VAL  16          2HG1      VAL  16  -4.890  -2.693  -2.693
   84   2HG1  VAL  16          3HG1      VAL  16  -4.253  -3.142  -3.142
   85   3HG1  VAL  16          1HG1      VAL  16  -5.925  -2.555  -2.555
   86   1HG2  VAL  16          1HG2      VAL  16  -4.031  -6.012  -6.012
   87   2HG2  VAL  16          2HG2      VAL  16  -5.175  -6.370  -6.370
   88   3HG2  VAL  16          3HG2      VAL  16  -3.974  -5.070  -5.070
   89    H    SER  17           HN       SER  17  -8.337  -4.508  -4.508
   90    HA   SER  17           HA       SER  17  -8.974  -2.093  -2.093
   91   1HB   SER  17          2HB       SER  17 -10.440  -3.971  -3.971
   92   2HB   SER  17          3HB       SER  17 -10.850  -4.410  -4.410
   93    HG   SER  17           HG       SER  17 -11.109  -1.680  -1.680
   94    H    THR  18           HN       THR  18  -9.086  -5.066  -5.066
   95    HA   THR  18           HA       THR  18  -9.978  -3.868  -3.868
   96    HB   THR  18           HB       THR  18  -8.374  -6.309  -6.309
   97    HG1  THR  18           HG1      THR  18 -10.790  -6.014  -6.014
   98   1HG2  THR  18          3HG2      THR  18  -7.434  -5.375  -5.375
   99   2HG2  THR  18          1HG2      THR  18  -9.067  -5.640  -5.640
  100   3HG2  THR  18          2HG2      THR  18  -8.118  -7.018  -7.018
  101    H    ALA  19           HN       ALA  19  -6.566  -4.288  -4.288
  102    HA   ALA  19           HA       ALA  19  -5.422  -3.061  -3.061
  103   1HB   ALA  19          3HB       ALA  19  -4.238  -4.490  -4.490
  104   2HB   ALA  19          1HB       ALA  19  -4.416  -3.200  -3.200
  105   3HB   ALA  19          2HB       ALA  19  -3.427  -2.924  -2.924
  106    H    GLN  20           HN       GLN  20  -6.604  -1.771  -1.771
  107    HA   GLN  20           HA       GLN  20  -5.652   0.786   0.786
  108   1HB   GLN  20          2HB       GLN  20  -8.263   0.023   0.023
  109   2HB   GLN  20          3HB       GLN  20  -7.258   1.414   1.414
  110   1HG   GLN  20          2HG       GLN  20  -5.519   0.074   0.074
  111   2HG   GLN  20          3HG       GLN  20  -6.123  -1.397  -1.397
  112   1HE2  GLN  20          2HE2      GLN  20  -8.190   0.251   0.251
  113   2HE2  GLN  20          1HE2      GLN  20  -7.395   1.244   1.244
  114    H    ALA  21           HN       ALA  21  -8.930  -0.566  -0.566
  115    HA   ALA  21           HA       ALA  21 -10.246   1.536   1.536
  116   1HB   ALA  21          2HB       ALA  21 -10.878  -0.927  -0.927
  117   2HB   ALA  21          3HB       ALA  21  -9.992  -1.021  -1.021
  118   3HB   ALA  21          1HB       ALA  21 -11.411   0.045   0.045
  119    H    ALA  22           HN       ALA  22  -7.488  -0.064  -0.064
  120    HA   ALA  22           HA       ALA  22  -7.696   1.602   1.602
  121   1HB   ALA  22          2HB       ALA  22  -6.614  -0.785  -0.785
  122   2HB   ALA  22          3HB       ALA  22  -5.174   0.174   0.174
  123   3HB   ALA  22          1HB       ALA  22  -5.916   0.343   0.343
  124    H    GLY  23           HN       GLY  23  -5.511   1.470   1.470
  125   1HA   GLY  23          1HA       GLY  23  -3.870   3.600   3.600
  126   2HA   GLY  23          2HA       GLY  23  -4.317   3.084   3.084
  127    H    TYR  24           HN       TYR  24  -7.170   3.581   3.581
  128    HA   TYR  24           HA       TYR  24  -7.133   6.376   6.376
  129   1HB   TYR  24          2HB       TYR  24  -8.527   4.717   4.717
  130   2HB   TYR  24          3HB       TYR  24  -9.249   4.155   4.155
  131    HD1  TYR  24           HD1      TYR  24  -8.725   7.742   7.742
  132    HD2  TYR  24           HD2      TYR  24 -11.534   4.516   4.516
  133    HE1  TYR  24           HE1      TYR  24 -10.639   9.388   9.388
  134    HE2  TYR  24           HE2      TYR  24 -13.438   6.173   6.173
  135    HH   TYR  24           HH       TYR  24 -13.578   8.569   8.569
  136    H    LYS  25           HN       LYS  25  -9.411   4.533   4.533
  137    HA   LYS  25           HA       LYS  25 -10.452   6.516   6.516
  138   1HB   LYS  25          2HB       LYS  25 -11.299   4.512   4.512
  139   2HB   LYS  25          3HB       LYS  25  -9.744   3.705   3.705
  140   1HG   LYS  25          2HG       LYS  25 -10.319   5.825   5.825
  141   2HG   LYS  25          3HG       LYS  25 -10.915   4.191   4.191
  142   1HD   LYS  25          2HD       LYS  25  -8.199   3.905   3.905
  143   2HD   LYS  25          3HD       LYS  25  -8.203   5.221   5.221
  144   1HE   LYS  25          2HE       LYS  25  -9.914   3.328   3.328
  145   2HE   LYS  25          3HE       LYS  25  -8.664   2.340   2.340
  146   1HZ   LYS  25          2HZ       LYS  25  -7.029   3.744   3.744
  147   2HZ   LYS  25          3HZ       LYS  25  -8.225   4.583   4.583
  148   3HZ   LYS  25          1HZ       LYS  25  -8.017   2.997   2.997
  149    H    LEU  26           HN       LEU  26  -7.243   5.002   5.002
  150    HA   LEU  26           HA       LEU  26  -6.708   6.798   6.798
  151   1HB   LEU  26          2HB       LEU  26  -5.681   4.645   4.645
  152   2HB   LEU  26          3HB       LEU  26  -4.978   4.954   4.954
  153    HG   LEU  26           HG       LEU  26  -3.531   6.700   6.700
  154   1HD1  LEU  26          2HD1      LEU  26  -5.128   7.225   7.225
  155   2HD1  LEU  26          3HD1      LEU  26  -4.494   5.778   5.778
  156   3HD1  LEU  26          1HD1      LEU  26  -3.404   7.130   7.130
  157   1HD2  LEU  26          1HD2      LEU  26  -3.012   4.144   4.144
  158   2HD2  LEU  26          2HD2      LEU  26  -1.930   5.232   5.232
  159   3HD2  LEU  26          3HD2      LEU  26  -3.114   4.228   4.228
  160    H    HIS  27           HN       HIS  27  -6.119   6.808   6.808
  161    HA   HIS  27           HA       HIS  27  -4.330   8.959   8.959
  162   1HB   HIS  27          2HB       HIS  27  -4.294   7.705   7.705
  163   2HB   HIS  27          3HB       HIS  27  -6.041   7.589   7.589
  164    HD1  HIS  27           HD1      HIS  27  -3.510  10.487  10.487
  165    HD2  HIS  27           HD2      HIS  27  -6.979   9.107   9.107
  166    HE1  HIS  27           HE1      HIS  27  -4.012  12.156  12.156
  167    HE2  HIS  27           HE2      HIS  27  -6.122  11.226  11.226
  168    H    GLU  28           HN       GLU  28  -7.920   8.734   8.734
  169    HA   GLU  28           HA       GLU  28  -8.264  11.467  11.467
  170   1HB   GLU  28          2HB       GLU  28 -10.569  10.359  10.359
  171   2HB   GLU  28          3HB       GLU  28 -10.374  10.758  10.758
  172   1HG   GLU  28          2HG       GLU  28  -9.267   8.537   8.537
  173   2HG   GLU  28          3HG       GLU  28  -9.498   8.138   8.138
  174    H    ASP  29           HN       ASP  29  -7.680   9.537   9.537
  175    HA   ASP  29           HA       ASP  29  -8.718  11.478  11.478
  176   1HB   ASP  29          2HB       ASP  29  -6.760   9.185   9.185
  177   2HB   ASP  29          3HB       ASP  29  -7.610  10.074  10.074
  178    H    GLY  30           HN       GLY  30  -5.727  10.874  10.874
  179   1HA   GLY  30          1HA       GLY  30  -3.908  12.209  12.209
  180   2HA   GLY  30          2HA       GLY  30  -4.556  13.316  13.316
  181    H    GLU  31           HN       GLU  31  -4.466   9.928   9.928
  182    HA   GLU  31           HA       GLU  31  -2.341  10.596  10.596
  183   1HB   GLU  31          2HB       GLU  31  -4.581   8.582   8.582
  184   2HB   GLU  31          3HB       GLU  31  -3.150   8.197   8.197
  185   1HG   GLU  31          2HG       GLU  31  -4.612  10.858  10.858
  186   2HG   GLU  31          3HG       GLU  31  -5.038   9.450   9.450
  187    H    THR  32           HN       THR  32  -0.983   8.415   8.415
  188    HA   THR  32           HA       THR  32  -0.222   7.135   7.135
  189    HB   THR  32           HB       THR  32   2.193   7.422   7.422
  190    HG1  THR  32           HG1      THR  32   2.314   8.711   8.711
  191   1HG2  THR  32          1HG2      THR  32   0.416   9.622   9.622
  192   2HG2  THR  32          2HG2      THR  32   1.990  10.107  10.107
  193   3HG2  THR  32          3HG2      THR  32   1.919   8.968   8.968
  194    H    VAL  33           HN       VAL  33   1.492   5.289   5.289
  195    HA   VAL  33           HA       VAL  33   0.496   3.948   3.948
  196    HB   VAL  33           HB       VAL  33   0.109   1.927   1.927
  197   1HG1  VAL  33          1HG1      VAL  33  -1.334   4.273   4.273
  198   2HG1  VAL  33          2HG1      VAL  33  -1.195   3.389   3.389
  199   3HG1  VAL  33          3HG1      VAL  33  -1.901   2.590   2.590
  200   1HG2  VAL  33          3HG2      VAL  33   1.284   3.259   3.259
  201   2HG2  VAL  33          1HG2      VAL  33   1.985   1.914   1.914
  202   3HG2  VAL  33          2HG2      VAL  33   0.480   1.672   1.672
  203    H    GLY  34           HN       GLY  34   2.081   2.912   2.912
  204   1HA   GLY  34          1HA       GLY  34   4.113   2.051   2.051
  205   2HA   GLY  34          2HA       GLY  34   4.559   2.103   2.103
  206    H    SER  35           HN       SER  35   6.632   3.017   3.017
  207    HA   SER  35           HA       SER  35   6.713   5.557   5.557
  208   1HB   SER  35          2HB       SER  35   8.393   3.628   3.628
  209   2HB   SER  35          3HB       SER  35   9.073   4.024   4.024
  210    HG   SER  35           HG       SER  35  10.038   5.751   5.751
  211    H    ASN  36           HN       ASN  36   6.209   4.318   4.318
  212    HA   ASN  36           HA       ASN  36   7.762   6.260   6.260
  213   1HB   ASN  36          2HB       ASN  36   6.053   3.921   3.921
  214   2HB   ASN  36          3HB       ASN  36   5.879   5.232   5.232
  215   1HD2  ASN  36          2HD2      ASN  36   8.550   3.360   3.360
  216   2HD2  ASN  36          1HD2      ASN  36   6.827   3.415   3.415
  217    H    SER  37           HN       SER  37   5.900   7.021   7.021
  218    HA   SER  37           HA       SER  37   3.912   8.489   8.489
  219   1HB   SER  37          2HB       SER  37   4.258  10.437  10.437
  220   2HB   SER  37          3HB       SER  37   5.823   9.927   9.927
  221    HG   SER  37           HG       SER  37   5.149  10.316  10.316
  222    H    TYR  38           HN       TYR  38   3.386   5.944   5.944
  223    HA   TYR  38           HA       TYR  38   2.078   6.462   6.462
  224   1HB   TYR  38          2HB       TYR  38   2.585   4.015   4.015
  225   2HB   TYR  38          3HB       TYR  38   1.739   3.898   3.898
  226    HD1  TYR  38           HD2      TYR  38   4.729   6.012   6.012
  227    HD2  TYR  38           HD1      TYR  38   3.214   2.493   2.493
  228    HE1  TYR  38           HE2      TYR  38   6.945   5.701   5.701
  229    HE2  TYR  38           HE1      TYR  38   5.435   2.195   2.195
  230    HH   TYR  38           HH       TYR  38   7.305   3.366   3.366
  231    HA   PRO  39           HA       PRO  39   0.664   5.440   5.440
  232   1HB   PRO  39          2HB       PRO  39  -1.535   6.375   6.375
  233   2HB   PRO  39          3HB       PRO  39  -1.370   4.713   4.713
  234   1HG   PRO  39          2HG       PRO  39  -3.022   6.872   6.872
  235   2HG   PRO  39          3HG       PRO  39  -3.158   5.140   5.140
  236   1HD   PRO  39          2HD       PRO  39  -2.040   7.037   7.037
  237   2HD   PRO  39          3HD       PRO  39  -2.072   5.294   5.294
  238    H    HIS  40           HN       HIS  40   0.428   6.953   6.953
  239    HA   HIS  40           HA       HIS  40   0.417   9.671   9.671
  240   1HB   HIS  40          2HB       HIS  40   2.719  10.303  10.303
  241   2HB   HIS  40          3HB       HIS  40   2.371   9.218   9.218
  242    HD1  HIS  40           HD1      HIS  40   4.006   9.148   9.148
  243    HD2  HIS  40           HD2      HIS  40   4.025   7.022   7.022
  244    HE1  HIS  40           HE1      HIS  40   5.875   7.421   7.421
  245    HE2  HIS  40           HE2      HIS  40   5.873   6.183   6.183
  246    H    LYS  41           HN       LYS  41   1.653  10.834  10.834
  247    HA   LYS  41           HA       LYS  41   0.635   9.795   9.795
  248   1HB   LYS  41          2HB       LYS  41   1.831  12.151  12.151
  249   2HB   LYS  41          3HB       LYS  41   2.981  11.527  11.527
  250   1HG   LYS  41          2HG       LYS  41   0.276  11.149  11.149
  251   2HG   LYS  41          3HG       LYS  41   0.491  12.820  12.820
  252   1HD   LYS  41          2HD       LYS  41   2.693  12.804  12.804
  253   2HD   LYS  41          3HD       LYS  41   2.214  11.238  11.238
  254   1HE   LYS  41          2HE       LYS  41   1.273  12.541  12.541
  255   2HE   LYS  41          3HE       LYS  41  -0.076  12.572  12.572
  256   1HZ   LYS  41          3HZ       LYS  41   1.895  14.567  14.567
  257   2HZ   LYS  41          1HZ       LYS  41   1.182  14.731  14.731
  258   3HZ   LYS  41          2HZ       LYS  41   0.271  14.709  14.709
  259    H    TYR  42           HN       TYR  42   2.050   9.288   9.288
  260    HA   TYR  42           HA       TYR  42   4.515   7.934   7.934
  261   1HB   TYR  42          2HB       TYR  42   2.991   6.160   6.160
  262   2HB   TYR  42          3HB       TYR  42   1.824   6.573   6.573
  263    HD1  TYR  42           HD1      TYR  42   2.676   6.261   6.261
  264    HD2  TYR  42           HD2      TYR  42   4.377   4.316   4.316
  265    HE1  TYR  42           HE1      TYR  42   3.644   4.453   4.453
  266    HE2  TYR  42           HE2      TYR  42   5.339   2.515   2.515
  267    HH   TYR  42           HH       TYR  42   5.835   2.031   2.031
  268    H    ASN  43           HN       ASN  43   1.884   9.006   9.006
  269    HA   ASN  43           HA       ASN  43   1.772   9.451   9.451
  270   1HB   ASN  43          2HB       ASN  43   4.707   9.952   9.952
  271   2HB   ASN  43          3HB       ASN  43   4.159  10.056  10.056
  272   1HD2  ASN  43          2HD2      ASN  43   3.415  12.992  12.992
  273   2HD2  ASN  43          1HD2      ASN  43   4.332  11.560  11.560
  274    H    ASN  44           HN       ASN  44   5.025   8.521   8.521
  275    HA   ASN  44           HA       ASN  44   5.195   5.942   5.942
  276   1HB   ASN  44          2HB       ASN  44   3.917   5.013   5.013
  277   2HB   ASN  44          3HB       ASN  44   2.769   6.086   6.086
  278   1HD2  ASN  44          2HD2      ASN  44   4.117   6.706   6.706
  279   2HD2  ASN  44          1HD2      ASN  44   4.707   5.447   5.447
  280    H    TYR  45           HN       TYR  45   6.425   5.192   5.192
  281    HA   TYR  45           HA       TYR  45   7.231   6.959   6.959
  282   1HB   TYR  45          2HB       TYR  45   8.540   7.169   7.169
  283   2HB   TYR  45          3HB       TYR  45   9.678   7.037   7.037
  284    HD1  TYR  45           HD1      TYR  45   6.759   8.592   8.592
  285    HD2  TYR  45           HD2      TYR  45  10.243   9.376   9.376
  286    HE1  TYR  45           HE1      TYR  45   6.517  11.083  11.083
  287    HE2  TYR  45           HE2      TYR  45   9.989  11.862  11.862
  288    HH   TYR  45           HH       TYR  45   7.432  13.289  13.289
  289    H    GLU  46           HN       GLU  46   8.484   4.508   4.508
  290    HA   GLU  46           HA       GLU  46  10.395   3.363   3.363
  291   1HB   GLU  46          2HB       GLU  46   8.316   1.967   1.967
  292   2HB   GLU  46          3HB       GLU  46   9.800   1.213   1.213
  293   1HG   GLU  46          2HG       GLU  46   9.395   3.042   3.042
  294   2HG   GLU  46          3HG       GLU  46  10.810   2.085   2.085
  295    H    GLY  47           HN       GLY  47   7.012   3.527   3.527
  296   1HA   GLY  47          1HA       GLY  47   6.435   3.063   3.063
  297   2HA   GLY  47          2HA       GLY  47   7.445   1.632   1.632
  298    H    PHE  48           HN       PHE  48   4.827   3.047   3.047
  299    HA   PHE  48           HA       PHE  48   3.711   0.356   0.356
  300   1HB   PHE  48          2HB       PHE  48   3.346   3.019   3.019
  301   2HB   PHE  48          3HB       PHE  48   2.371   1.608   1.608
  302    HD1  PHE  48           HD2      PHE  48   3.528  -0.479  -0.479
  303    HD2  PHE  48           HD1      PHE  48   5.500   3.269   3.269
  304    HE1  PHE  48           HE2      PHE  48   5.285  -1.284  -1.284
  305    HE2  PHE  48           HE1      PHE  48   7.257   2.465   2.465
  306    HZ   PHE  48           HZ       PHE  48   7.128   0.198   0.198
  307    H    ASP  49           HN       ASP  49   1.652  -0.161  -0.161
  308    HA   ASP  49           HA       ASP  49   0.455   1.875   1.875
  309   1HB   ASP  49          2HB       ASP  49  -0.656  -0.917  -0.917
  310   2HB   ASP  49          3HB       ASP  49  -0.547   0.123   0.123
  311    H    PHE  50           HN       PHE  50  -0.269   3.002   3.002
  312    HA   PHE  50           HA       PHE  50  -2.194   1.651   1.651
  313   1HB   PHE  50          2HB       PHE  50  -1.258   4.556   4.556
  314   2HB   PHE  50          3HB       PHE  50  -2.405   4.098   4.098
  315    HD1  PHE  50           HD1      PHE  50  -0.447   1.331   1.331
  316    HD2  PHE  50           HD2      PHE  50  -0.157   5.423   5.423
  317    HE1  PHE  50           HE1      PHE  50   1.451   0.786   0.786
  318    HE2  PHE  50           HE2      PHE  50   1.741   4.879   4.879
  319    HZ   PHE  50           HZ       PHE  50   2.522   2.566   2.566
  320    H    SER  51           HN       SER  51  -4.097   1.071   1.071
  321    HA   SER  51           HA       SER  51  -5.232   2.694   2.694
  322   1HB   SER  51          2HB       SER  51  -7.083   1.085   1.085
  323   2HB   SER  51          3HB       SER  51  -5.553   0.233   0.233
  324    HG   SER  51           HG       SER  51  -5.915  -0.394  -0.394
  325    H    VAL  52           HN       VAL  52  -4.714   4.160   4.160
  326    HA   VAL  52           HA       VAL  52  -7.454   5.023   5.023
  327    HB   VAL  52           HB       VAL  52  -6.996   5.205   5.205
  328   1HG1  VAL  52          1HG1      VAL  52  -7.148   2.701   2.701
  329   2HG1  VAL  52          2HG1      VAL  52  -6.311   2.482   2.482
  330   3HG1  VAL  52          3HG1      VAL  52  -7.945   3.186   3.186
  331   1HG2  VAL  52          2HG2      VAL  52  -4.308   5.072   5.072
  332   2HG2  VAL  52          3HG2      VAL  52  -4.960   5.086   5.086
  333   3HG2  VAL  52          1HG2      VAL  52  -4.605   3.538   3.538
  334    H    SER  53           HN       SER  53  -7.626   7.281   7.281
  335    HA   SER  53           HA       SER  53  -5.454   8.758   8.758
  336   1HB   SER  53          2HB       SER  53  -8.303   9.343   9.343
  337   2HB   SER  53          3HB       SER  53  -7.197  10.695  10.695
  338    HG   SER  53           HG       SER  53  -7.066   8.870   8.870
  339    H    SER  54           HN       SER  54  -3.974  10.007  10.007
  340    HA   SER  54           HA       SER  54  -3.388   9.545   9.545
  341   1HB   SER  54          2HB       SER  54  -1.841  11.244  11.244
  342   2HB   SER  54          3HB       SER  54  -2.301  11.101  11.101
  343    HG   SER  54           HG       SER  54  -2.533  13.258  13.258
  344    HA   PRO  55           HA       PRO  55  -2.351  11.407  11.407
  345   1HB   PRO  55          2HB       PRO  55  -2.125  11.635  11.635
  346   2HB   PRO  55          3HB       PRO  55  -2.112  13.013  13.013
  347   1HG   PRO  55          2HG       PRO  55  -4.280  12.070  12.070
  348   2HG   PRO  55          3HG       PRO  55  -4.080  13.641  13.641
  349   1HD   PRO  55          2HD       PRO  55  -5.876  11.562  11.562
  350   2HD   PRO  55          3HD       PRO  55  -5.592  13.087  13.087
  351    H    TYR  56           HN       TYR  56  -0.795   9.825   9.825
  352    HA   TYR  56           HA       TYR  56  -2.160   7.306   7.306
  353   1HB   TYR  56          2HB       TYR  56   0.683   8.181   8.181
  354   2HB   TYR  56          3HB       TYR  56   0.218   6.498   6.498
  355    HD1  TYR  56           HD1      TYR  56  -2.405   6.365   6.365
  356    HD2  TYR  56           HD2      TYR  56   1.070   8.587   8.587
  357    HE1  TYR  56           HE1      TYR  56  -3.177   6.349   6.349
  358    HE2  TYR  56           HE2      TYR  56   0.287   8.563   8.563
  359    HH   TYR  56           HH       TYR  56  -1.227   6.956   6.956
  360    H    TYR  57           HN       TYR  57  -2.379   6.705   6.705
  361    HA   TYR  57           HA       TYR  57  -0.386   7.639   7.639
  362   1HB   TYR  57          2HB       TYR  57  -3.018   6.047   6.047
  363   2HB   TYR  57          3HB       TYR  57  -2.148   6.719   6.719
  364    HD1  TYR  57           HD2      TYR  57  -1.503   9.310   9.310
  365    HD2  TYR  57           HD1      TYR  57  -5.018   7.296   7.296
  366    HE1  TYR  57           HE2      TYR  57  -2.833  11.466  11.466
  367    HE2  TYR  57           HE1      TYR  57  -6.336   9.459   9.459
  368    HH   TYR  57           HH       TYR  57  -4.770  12.474  12.474
  369    H    GLU  58           HN       GLU  58   0.796   6.225   6.225
  370    HA   GLU  58           HA       GLU  58   0.918   3.512   3.512
  371   1HB   GLU  58          2HB       GLU  58   3.273   3.480   3.480
  372   2HB   GLU  58          3HB       GLU  58   3.000   4.741   4.741
  373   1HG   GLU  58          2HG       GLU  58   4.242   5.810   5.810
  374   2HG   GLU  58          3HG       GLU  58   2.591   6.343   6.343
  375    H    TRP  59           HN       TRP  59   0.703   1.760   1.760
  376    HA   TRP  59           HA       TRP  59   0.836   2.211   2.211
  377   1HB   TRP  59          2HB       TRP  59  -1.393   2.943   2.943
  378   2HB   TRP  59          3HB       TRP  59  -1.774   1.648   1.648
  379    HD1  TRP  59           HD1      TRP  59  -2.671  -0.612  -0.612
  380    HE1  TRP  59           HE1      TRP  59  -3.207  -1.513  -1.513
  381    HE3  TRP  59           HE3      TRP  59  -0.433   3.215   3.215
  382    HZ2  TRP  59           HZ2      TRP  59  -2.648  -0.547  -0.547
  383    HZ3  TRP  59           HZ3      TRP  59  -0.473   3.160   3.160
  384    HH2  TRP  59           HH2      TRP  59  -1.531   1.363   1.363
  385    HA   PRO  60           HA       PRO  60   2.142  -1.907  -1.907
  386   1HB   PRO  60          2HB       PRO  60   2.230  -2.705  -2.705
  387   2HB   PRO  60          3HB       PRO  60   3.502  -1.769  -1.769
  388   1HG   PRO  60          2HG       PRO  60   1.437  -0.875  -0.875
  389   2HG   PRO  60          3HG       PRO  60   2.944  -0.093  -0.093
  390   1HD   PRO  60          2HD       PRO  60   0.314   0.635   0.635
  391   2HD   PRO  60          3HD       PRO  60   1.828   1.342   1.342
  392    H    ILE  61           HN       ILE  61   1.534  -4.112  -4.112
  393    HA   ILE  61           HA       ILE  61  -1.306  -4.390  -4.390
  394    HB   ILE  61           HB       ILE  61  -0.808  -4.271  -4.271
  395   1HG1  ILE  61          2HG1      ILE  61  -1.873  -6.993  -6.993
  396   2HG1  ILE  61          3HG1      ILE  61  -2.754  -5.523  -5.523
  397   1HG2  ILE  61          3HG2      ILE  61   0.777  -6.766  -6.766
  398   2HG2  ILE  61          1HG2      ILE  61   0.152  -6.400  -6.400
  399   3HG2  ILE  61          2HG2      ILE  61   1.306  -5.292  -5.292
  400   1HD1  ILE  61          3HD1      ILE  61  -2.708  -4.883  -4.883
  401   2HD1  ILE  61          1HD1      ILE  61  -1.825  -6.384  -6.384
  402   3HD1  ILE  61          2HD1      ILE  61  -3.493  -6.461  -6.461
  403    H    LEU  62           HN       LEU  62  -1.856  -6.043  -6.043
  404    HA   LEU  62           HA       LEU  62   0.362  -7.680  -7.680
  405   1HB   LEU  62          2HB       LEU  62  -2.369  -7.051  -7.051
  406   2HB   LEU  62          3HB       LEU  62  -1.305  -8.257  -8.257
  407    HG   LEU  62           HG       LEU  62  -0.515  -5.357  -5.357
  408   1HD1  LEU  62          3HD1      LEU  62  -1.757  -6.716  -6.716
  409   2HD1  LEU  62          1HD1      LEU  62  -0.982  -5.113  -5.113
  410   3HD1  LEU  62          2HD1      LEU  62  -2.440  -5.383  -5.383
  411   1HD2  LEU  62          2HD2      LEU  62   1.273  -7.144  -7.144
  412   2HD2  LEU  62          3HD2      LEU  62   1.317  -5.820  -5.820
  413   3HD2  LEU  62          1HD2      LEU  62   0.663  -7.410  -7.410
  414    H    SER  63           HN       SER  63   0.624  -9.743  -9.743
  415    HA   SER  63           HA       SER  63  -1.059 -10.833 -10.833
  416   1HB   SER  63          2HB       SER  63   0.252 -12.946 -12.946
  417   2HB   SER  63          3HB       SER  63   1.252 -11.534 -11.534
  418    HG   SER  63           HG       SER  63   1.603 -11.357 -11.357
  419    H    SER  64           HN       SER  64  -1.552 -10.424 -10.424
  420    HA   SER  64           HA       SER  64  -3.044 -12.867 -12.867
  421   1HB   SER  64          2HB       SER  64  -3.055 -10.693 -10.693
  422   2HB   SER  64          3HB       SER  64  -3.028 -12.432 -12.432
  423    HG   SER  64           HG       SER  64  -0.959 -11.861 -11.861
  424    H    GLY  65           HN       GLY  65  -3.505  -9.704  -9.704
  425   1HA   GLY  65          1HA       GLY  65  -5.407  -8.794  -8.794
  426   2HA   GLY  65          2HA       GLY  65  -6.362 -10.078 -10.078
  427    H    ASP  66           HN       ASP  66  -4.007  -8.046  -8.046
  428    HA   ASP  66           HA       ASP  66  -6.299  -6.982  -6.982
  429   1HB   ASP  66          2HB       ASP  66  -3.440  -7.592  -7.592
  430   2HB   ASP  66          3HB       ASP  66  -4.510  -6.603  -6.603
  431    H    VAL  67           HN       VAL  67  -4.746  -4.980  -4.980
  432    HA   VAL  67           HA       VAL  67  -3.956  -3.235  -3.235
  433    HB   VAL  67           HB       VAL  67  -5.479  -2.749  -2.749
  434   1HG1  VAL  67          1HG1      VAL  67  -3.454  -1.153  -1.153
  435   2HG1  VAL  67          2HG1      VAL  67  -4.384  -0.467  -0.467
  436   3HG1  VAL  67          3HG1      VAL  67  -5.063  -0.448  -0.448
  437   1HG2  VAL  67          2HG2      VAL  67  -5.927  -2.399  -2.399
  438   2HG2  VAL  67          3HG2      VAL  67  -7.020  -3.024  -3.024
  439   3HG2  VAL  67          1HG2      VAL  67  -6.730  -1.273  -1.273
  440    H    TYR  68           HN       TYR  68  -1.857  -2.613  -2.613
  441    HA   TYR  68           HA       TYR  68  -0.103  -3.503  -3.503
  442   1HB   TYR  68          2HB       TYR  68  -0.145  -2.291  -2.291
  443   2HB   TYR  68          3HB       TYR  68   1.060  -1.488  -1.488
  444    HD1  TYR  68           HD1      TYR  68   2.583  -3.230  -3.230
  445    HD2  TYR  68           HD2      TYR  68   0.568  -4.100  -4.100
  446    HE1  TYR  68           HE1      TYR  68   4.211  -5.128  -5.128
  447    HE2  TYR  68           HE2      TYR  68   2.203  -5.995  -5.995
  448    HH   TYR  68           HH       TYR  68   4.272  -7.185  -7.185
  449    H    SER  69           HN       SER  69  -0.264  -2.545  -2.545
  450    HA   SER  69           HA       SER  69  -0.506   0.342   0.342
  451   1HB   SER  69          2HB       SER  69  -0.896  -0.033  -0.033
  452   2HB   SER  69          3HB       SER  69  -2.106  -0.732  -0.732
  453    HG   SER  69           HG       SER  69  -1.629  -2.379  -2.379
  454    H    GLY  70           HN       GLY  70   1.414  -2.337  -2.337
  455   1HA   GLY  70          1HA       GLY  70   3.275  -1.046  -1.046
  456   2HA   GLY  70          2HA       GLY  70   3.644  -2.437  -2.437
  457    H    GLY  71           HN       GLY  71   3.211  -1.303  -1.303
  458   1HA   GLY  71          1HA       GLY  71   4.051   0.222   0.222
  459   2HA   GLY  71          2HA       GLY  71   4.845   1.086   1.086
  460    H    SER  72           HN       SER  72   5.090  -2.456  -2.456
  461    HA   SER  72           HA       SER  72   7.853  -1.994  -1.994
  462   1HB   SER  72          2HB       SER  72   7.824  -2.786  -2.786
  463   2HB   SER  72          3HB       SER  72   6.776  -4.125  -4.125
  464    HG   SER  72           HG       SER  72   8.453  -5.248  -5.248
  465    HA   PRO  73           HA       PRO  73   5.410  -4.861  -4.861
  466   1HB   PRO  73          2HB       PRO  73   4.681  -3.199  -3.199
  467   2HB   PRO  73          3HB       PRO  73   3.606  -3.629  -3.629
  468   1HG   PRO  73          2HG       PRO  73   5.047  -1.089  -1.089
  469   2HG   PRO  73          3HG       PRO  73   3.670  -1.396  -1.396
  470   1HD   PRO  73          2HD       PRO  73   6.399  -1.069  -1.069
  471   2HD   PRO  73          3HD       PRO  73   5.041  -1.490  -1.490
  472    H    GLY  74           HN       GLY  74   7.609  -2.273  -2.273
  473   1HA   GLY  74          1HA       GLY  74   9.036  -2.265  -2.265
  474   2HA   GLY  74          2HA       GLY  74   9.809  -3.309  -3.309
  475    H    ALA  75           HN       ALA  75   7.974  -3.168  -3.168
  476    HA   ALA  75           HA       ALA  75   8.974  -4.950  -4.950
  477   1HB   ALA  75          2HB       ALA  75   7.732  -6.512  -6.512
  478   2HB   ALA  75          3HB       ALA  75   7.907  -7.227  -7.227
  479   3HB   ALA  75          1HB       ALA  75   9.348  -6.686  -6.686
  480    H    ASP  76           HN       ASP  76   5.937  -6.327  -6.327
  481    HA   ASP  76           HA       ASP  76   4.664  -5.736  -5.736
  482   1HB   ASP  76          2HB       ASP  76   3.328  -6.407  -6.407
  483   2HB   ASP  76          3HB       ASP  76   2.675  -6.693  -6.693
  484    H    ARG  77           HN       ARG  77   3.467  -3.900  -3.900
  485    HA   ARG  77           HA       ARG  77   2.348  -2.286  -2.286
  486   1HB   ARG  77          2HB       ARG  77   4.272  -1.085  -1.085
  487   2HB   ARG  77          3HB       ARG  77   3.384  -0.183  -0.183
  488   1HG   ARG  77          2HG       ARG  77   4.998  -2.443  -2.443
  489   2HG   ARG  77          3HG       ARG  77   5.943  -1.167  -1.167
  490   1HD   ARG  77          2HD       ARG  77   3.926   0.119   0.119
  491   2HD   ARG  77          3HD       ARG  77   4.606  -1.161  -1.161
  492    HE   ARG  77           HE       ARG  77   6.122   1.123   1.123
  493   1HH1  ARG  77           HH2      ARG  77   6.045  -1.700  -1.700
  494   2HH1  ARG  77           HH2      ARG  77   7.545  -1.321  -1.321
  495   1HH2  ARG  77           HH1      ARG  77   8.103   1.622   1.622
  496   2HH2  ARG  77           HH1      ARG  77   8.724   0.581   0.581
  497    H    VAL  78           HN       VAL  78   0.445  -1.234  -1.234
  498    HA   VAL  78           HA       VAL  78  -0.216  -1.709  -1.709
  499    HB   VAL  78           HB       VAL  78  -1.828  -2.828  -2.828
  500   1HG1  VAL  78          2HG1      VAL  78  -0.917  -2.355  -2.355
  501   2HG1  VAL  78          3HG1      VAL  78  -1.732  -0.773  -0.773
  502   3HG1  VAL  78          1HG1      VAL  78  -2.695  -2.269  -2.269
  503   1HG2  VAL  78          1HG2      VAL  78  -2.900   0.013   0.013
  504   2HG2  VAL  78          2HG2      VAL  78  -2.981  -1.125  -1.125
  505   3HG2  VAL  78          3HG2      VAL  78  -3.885  -1.464  -1.464
  506    H    VAL  79           HN       VAL  79  -0.686  -0.004  -0.004
  507    HA   VAL  79           HA       VAL  79  -0.509   2.646   2.646
  508    HB   VAL  79           HB       VAL  79   0.195   1.642   1.642
  509   1HG1  VAL  79          3HG1      VAL  79  -0.888   4.113   4.113
  510   2HG1  VAL  79          1HG1      VAL  79   0.853   4.439   4.439
  511   3HG1  VAL  79          2HG1      VAL  79   0.229   3.729   3.729
  512   1HG2  VAL  79          3HG2      VAL  79   1.737   1.404   1.404
  513   2HG2  VAL  79          1HG2      VAL  79   2.415   1.937   1.937
  514   3HG2  VAL  79          2HG2      VAL  79   2.050   3.132   3.132
  515    H    PHE  80           HN       PHE  80  -2.127   4.168   4.168
  516    HA   PHE  80           HA       PHE  80  -4.179   3.581   3.581
  517   1HB   PHE  80          2HB       PHE  80  -5.946   3.394   3.394
  518   2HB   PHE  80          3HB       PHE  80  -4.675   2.327   2.327
  519    HD1  PHE  80           HD2      PHE  80  -2.911   3.512   3.512
  520    HD2  PHE  80           HD1      PHE  80  -6.883   4.851   4.851
  521    HE1  PHE  80           HE2      PHE  80  -2.863   4.728   4.728
  522    HE2  PHE  80           HE1      PHE  80  -6.835   6.068   6.068
  523    HZ   PHE  80           HZ       PHE  80  -4.825   5.992   5.992
  524    H    ASN  81           HN       ASN  81  -5.766   5.408   5.408
  525    HA   ASN  81           HA       ASN  81  -4.372   7.858   7.858
  526   1HB   ASN  81          2HB       ASN  81  -5.183   8.622   8.622
  527   2HB   ASN  81          3HB       ASN  81  -5.688   6.972   6.972
  528   1HD2  ASN  81          2HD2      ASN  81  -9.123   7.439   7.439
  529   2HD2  ASN  81          1HD2      ASN  81  -7.814   6.308   6.308
  530    H    GLU  82           HN       GLU  82  -7.691   8.344   8.344
  531    HA   GLU  82           HA       GLU  82  -8.404   9.656   9.656
  532   1HB   GLU  82          2HB       GLU  82  -9.886   9.591   9.591
  533   2HB   GLU  82          3HB       GLU  82 -10.068   7.850   7.850
  534   1HG   GLU  82          2HG       GLU  82 -11.764   8.015   8.015
  535   2HG   GLU  82          3HG       GLU  82 -10.843   9.096   9.096
  536    H    ASN  83           HN       ASN  83  -9.142   6.118   6.118
  537    HA   ASN  83           HA       ASN  83  -8.470   5.609   5.609
  538   1HB   ASN  83          2HB       ASN  83 -10.928   4.552   4.552
  539   2HB   ASN  83          3HB       ASN  83 -10.602   6.216   6.216
  540   1HD2  ASN  83          2HD2      ASN  83 -11.936   6.092   6.092
  541   2HD2  ASN  83          1HD2      ASN  83 -10.437   5.400   5.400
  542    H    ASN  84           HN       ASN  84 -11.034   4.182   4.182
  543    HA   ASN  84           HA       ASN  84  -9.716   1.665   1.665
  544   1HB   ASN  84          2HB       ASN  84 -11.686   0.803   0.803
  545   2HB   ASN  84          3HB       ASN  84 -12.286   2.148   2.148
  546   1HD2  ASN  84          2HD2      ASN  84 -13.097   4.266   4.266
  547   2HD2  ASN  84          1HD2      ASN  84 -12.678   4.175   4.175
  548    H    GLN  85           HN       GLN  85  -8.523   4.158   4.158
  549    HA   GLN  85           HA       GLN  85  -8.631   3.451   3.451
  550   1HB   GLN  85          2HB       GLN  85  -6.508   5.280   5.280
  551   2HB   GLN  85          3HB       GLN  85  -8.121   5.642   5.642
  552   1HG   GLN  85          2HG       GLN  85  -7.445   6.970   6.970
  553   2HG   GLN  85          3HG       GLN  85  -8.937   6.072   6.072
  554   1HE2  GLN  85          2HE2      GLN  85  -7.442   3.478   3.478
  555   2HE2  GLN  85          1HE2      GLN  85  -8.466   3.665   3.665
  556    H    LEU  86           HN       LEU  86  -7.724   1.291   1.291
  557    HA   LEU  86           HA       LEU  86  -5.207   0.837   0.837
  558   1HB   LEU  86          2HB       LEU  86  -6.621  -0.970  -0.970
  559   2HB   LEU  86          3HB       LEU  86  -7.207  -0.826  -0.826
  560    HG   LEU  86           HG       LEU  86  -4.484  -1.853  -1.853
  561   1HD1  LEU  86          1HD1      LEU  86  -6.871  -3.180  -3.180
  562   2HD1  LEU  86          2HD1      LEU  86  -6.292  -3.607  -3.607
  563   3HD1  LEU  86          3HD1      LEU  86  -5.278  -3.946  -3.946
  564   1HD2  LEU  86          1HD2      LEU  86  -5.631  -1.190  -1.190
  565   2HD2  LEU  86          2HD2      LEU  86  -3.996  -0.911  -0.911
  566   3HD2  LEU  86          3HD2      LEU  86  -4.495  -2.551  -2.551
  567    H    ALA  87           HN       ALA  87  -3.309   1.463   1.463
  568    HA   ALA  87           HA       ALA  87  -3.170   2.095   2.095
  569   1HB   ALA  87          3HB       ALA  87  -1.875   2.888   2.888
  570   2HB   ALA  87          1HB       ALA  87  -0.628   2.046   2.046
  571   3HB   ALA  87          2HB       ALA  87  -1.504   3.426   3.426
  572    H    GLY  88           HN       GLY  88  -1.992  -0.461  -0.461
  573   1HA   GLY  88          1HA       GLY  88  -1.983  -2.513  -2.513
  574   2HA   GLY  88          2HA       GLY  88  -0.406  -1.774  -1.774
  575    H    VAL  89           HN       VAL  89   0.860  -3.405  -3.405
  576    HA   VAL  89           HA       VAL  89   0.671  -3.539  -3.539
  577    HB   VAL  89           HB       VAL  89   0.339  -5.894  -5.894
  578   1HG1  VAL  89          2HG1      VAL  89   2.060  -5.869  -5.869
  579   2HG1  VAL  89          3HG1      VAL  89   0.563  -6.627  -6.627
  580   3HG1  VAL  89          1HG1      VAL  89   1.396  -7.297  -7.297
  581   1HG2  VAL  89          1HG2      VAL  89  -1.231  -4.699  -4.699
  582   2HG2  VAL  89          2HG2      VAL  89  -1.766  -5.086  -5.086
  583   3HG2  VAL  89          3HG2      VAL  89  -1.456  -6.396  -6.396
  584    H    ILE  90           HN       ILE  90   2.626  -2.372  -2.372
  585    HA   ILE  90           HA       ILE  90   4.857  -3.359  -3.359
  586    HB   ILE  90           HB       ILE  90   6.025  -1.460  -1.460
  587   1HG1  ILE  90          2HG1      ILE  90   4.078  -1.594  -1.594
  588   2HG1  ILE  90          3HG1      ILE  90   5.746  -1.058  -1.058
  589   1HG2  ILE  90          2HG2      ILE  90   3.952  -1.281  -1.281
  590   2HG2  ILE  90          3HG2      ILE  90   3.309  -0.266  -0.266
  591   3HG2  ILE  90          1HG2      ILE  90   4.854   0.156   0.156
  592   1HD1  ILE  90          3HD1      ILE  90   4.464   0.888   0.888
  593   2HD1  ILE  90          1HD1      ILE  90   3.277   0.520   0.520
  594   3HD1  ILE  90          2HD1      ILE  90   4.918   1.052   1.052
  595    H    THR  91           HN       THR  91   6.989  -3.798  -3.798
  596    HA   THR  91           HA       THR  91   6.852  -4.660  -4.660
  597    HB   THR  91           HB       THR  91   5.739  -6.612  -6.612
  598    HG1  THR  91           HG1      THR  91   7.376  -7.927  -7.927
  599   1HG2  THR  91          1HG2      THR  91   6.129  -6.177  -6.177
  600   2HG2  THR  91          2HG2      THR  91   7.815  -6.705  -6.705
  601   3HG2  THR  91          3HG2      THR  91   6.482  -7.858  -7.858
  602    H    HIS  92           HN       HIS  92   8.953  -5.456  -5.456
  603    HA   HIS  92           HA       HIS  92  11.038  -4.102  -4.102
  604   1HB   HIS  92          2HB       HIS  92  10.738  -5.113  -5.113
  605   2HB   HIS  92          3HB       HIS  92  12.329  -4.753  -4.753
  606    HD1  HIS  92           HD1      HIS  92  12.712  -2.710  -2.710
  607    HD2  HIS  92           HD2      HIS  92   9.287  -2.402  -2.402
  608    HE1  HIS  92           HE1      HIS  92  11.919  -0.292  -0.292
  609    HE2  HIS  92           HE2      HIS  92   9.845  -0.151  -0.151
  610    H    THR  93           HN       THR  93   9.663  -7.188  -7.188
  611    HA   THR  93           HA       THR  93  12.022  -8.771  -8.771
  612    HB   THR  93           HB       THR  93   9.061  -9.082  -9.082
  613    HG1  THR  93           HG1      THR  93  11.152 -10.745 -10.745
  614   1HG2  THR  93          1HG2      THR  93  11.184 -11.010 -11.010
  615   2HG2  THR  93          2HG2      THR  93   9.550 -11.543 -11.543
  616   3HG2  THR  93          3HG2      THR  93   9.763 -10.383 -10.383
  617    H    GLY  94           HN       GLY  94  10.513  -6.661  -6.661
  618   1HA   GLY  94          1HA       GLY  94  12.213  -7.843  -7.843
  619   2HA   GLY  94          2HA       GLY  94  10.600  -7.230  -7.230
  620    H    ALA  95           HN       ALA  95  12.949  -5.762  -5.762
  621    HA   ALA  95           HA       ALA  95  13.310  -3.559  -3.559
  622   1HB   ALA  95          3HB       ALA  95  11.533  -3.181  -3.181
  623   2HB   ALA  95          1HB       ALA  95  12.913  -3.127  -3.127
  624   3HB   ALA  95          2HB       ALA  95  12.797  -1.944  -1.944
  625    H    SER  96           HN       SER  96  14.391  -5.262  -5.262
  626    HA   SER  96           HA       SER  96  16.404  -5.840  -5.840
  627   1HB   SER  96          2HB       SER  96  16.929  -5.930  -5.930
  628   2HB   SER  96          3HB       SER  96  17.650  -4.345  -4.345
  629    HG   SER  96           HG       SER  96  19.159  -6.202  -6.202
  630    H    GLY  97           HN       GLY  97  15.284  -3.856  -3.856
  631   1HA   GLY  97          1HA       GLY  97  17.047  -2.518  -2.518
  632   2HA   GLY  97          2HA       GLY  97  17.024  -1.504  -1.504
  633    H    ASN  98           HN       ASN  98  15.897   0.321   0.321
  634    HA   ASN  98           HA       ASN  98  13.531  -0.035  -0.035
  635   1HB   ASN  98          2HB       ASN  98  15.404   1.846   1.846
  636   2HB   ASN  98          3HB       ASN  98  14.524   2.630   2.630
  637   1HD2  ASN  98          2HD2      ASN  98  11.451   2.256   2.256
  638   2HD2  ASN  98          1HD2      ASN  98  11.997   1.306   1.306
  639    H    ASN  99           HN       ASN  99  14.482   0.088   0.088
  640    HA   ASN  99           HA       ASN  99  12.498   1.677   1.677
  641   1HB   ASN  99          2HB       ASN  99  12.987  -0.223  -0.223
  642   2HB   ASN  99          3HB       ASN  99  13.991   1.187   1.187
  643   1HD2  ASN  99          2HD2      ASN  99  15.234  -2.119  -2.119
  644   2HD2  ASN  99          1HD2      ASN  99  13.626  -1.485  -1.485
  645    H    PHE 100           HN       PHE 100  10.566   0.860   0.860
  646    HA   PHE 100           HA       PHE 100   9.499  -1.614  -1.614
  647   1HB   PHE 100          2HB       PHE 100   8.352   1.146   1.146
  648   2HB   PHE 100          3HB       PHE 100   7.270  -0.233  -0.233
  649    HD1  PHE 100           HD2      PHE 100   7.887  -1.834  -1.834
  650    HD2  PHE 100           HD1      PHE 100   8.193   2.388   2.388
  651    HE1  PHE 100           HE2      PHE 100   7.643  -1.644  -1.644
  652    HE2  PHE 100           HE1      PHE 100   7.949   2.578   2.578
  653    HZ   PHE 100           HZ       PHE 100   7.677   0.560   0.560
  654    H    VAL 101           HN       VAL 101   7.795  -2.684  -2.684
  655    HA   VAL 101           HA       VAL 101   7.726  -1.976  -1.976
  656    HB   VAL 101           HB       VAL 101   8.779  -4.006  -4.006
  657   1HG1  VAL 101          2HG1      VAL 101  10.071  -1.870  -1.870
  658   2HG1  VAL 101          3HG1      VAL 101  10.705  -2.528  -2.528
  659   3HG1  VAL 101          1HG1      VAL 101  11.071  -3.342  -3.342
  660   1HG2  VAL 101          1HG2      VAL 101   8.388  -5.201  -5.201
  661   2HG2  VAL 101          2HG2      VAL 101   9.772  -5.650  -5.650
  662   3HG2  VAL 101          3HG2      VAL 101  10.010  -4.570  -4.570
  663    H    GLU 102           HN       GLU 102   5.839  -2.739  -2.739
  664    HA   GLU 102           HA       GLU 102   3.925  -3.768  -3.768
  665   1HB   GLU 102          2HB       GLU 102   2.976  -4.481  -4.481
  666   2HB   GLU 102          3HB       GLU 102   2.871  -2.862  -2.862
  667   1HG   GLU 102          2HG       GLU 102   4.724  -2.080  -2.080
  668   2HG   GLU 102          3HG       GLU 102   5.377  -3.689  -3.689
  669    H    CYS 103           HN       CYS 103   3.514  -5.791  -5.791
  670    HA   CYS 103           HA       CYS 103   5.233  -7.890  -7.890
  671   1HB   CYS 103          2HB       CYS 103   2.346  -8.010  -8.010
  672   2HB   CYS 103          3HB       CYS 103   3.532  -9.285  -9.285
  673    H    THR 104           HN       THR 104   3.642 -10.176 -10.176
  674    HA   THR 104           HA       THR 104   2.976  -9.675  -9.675
  675    HB   THR 104           HB       THR 104   3.805 -11.987 -11.987
  676    HG1  THR 104           HG1      THR 104   3.232 -12.859 -12.859
  677   1HG2  THR 104          3HG2      THR 104   5.548 -10.121 -10.121
  678   2HG2  THR 104          1HG2      THR 104   5.771 -10.526 -10.526
  679   3HG2  THR 104          2HG2      THR 104   6.171 -11.723 -11.723

  Start of MODEL   34
    1    H    ALA   1           HN       ALA   1  -8.170 -16.162 -16.162
    2    HA   ALA   1           HA       ALA   1  -9.404 -13.687 -13.687
    3   1HB   ALA   1          1HB       ALA   1 -10.003 -15.370 -15.370
    4   2HB   ALA   1          2HB       ALA   1  -9.393 -13.741 -13.741
    5   3HB   ALA   1          3HB       ALA   1 -10.849 -13.936 -13.936
    6    H    CYS   2           HN       CYS   2  -7.080 -14.094 -14.094
    7    HA   CYS   2           HA       CYS   2  -5.296 -12.779 -12.779
    8   1HB   CYS   2          2HB       CYS   2  -3.697 -14.957 -14.957
    9   2HB   CYS   2          3HB       CYS   2  -4.142 -14.463 -14.463
   10    H    ASP   3           HN       ASP   3  -4.362 -11.303 -11.303
   11    HA   ASP   3           HA       ASP   3  -3.713 -12.250 -12.250
   12   1HB   ASP   3          2HB       ASP   3  -5.454  -9.967  -9.967
   13   2HB   ASP   3          3HB       ASP   3  -4.279  -9.581  -9.581
   14    H    TYR   4           HN       TYR   4  -2.867 -10.773 -10.773
   15    HA   TYR   4           HA       TYR   4  -0.445  -9.627  -9.627
   16   1HB   TYR   4          2HB       TYR   4  -2.207  -8.680  -8.680
   17   2HB   TYR   4          3HB       TYR   4  -0.676  -7.933  -7.933
   18    HD1  TYR   4           HD2      TYR   4  -0.458  -6.893  -6.893
   19    HD2  TYR   4           HD1      TYR   4  -4.207  -7.957  -7.957
   20    HE1  TYR   4           HE2      TYR   4  -1.665  -5.335  -5.335
   21    HE2  TYR   4           HE1      TYR   4  -5.401  -6.396  -6.396
   22    HH   TYR   4           HH       TYR   4  -4.352  -5.430  -5.430
   23    H    THR   5           HN       THR   5   0.907 -11.381 -11.381
   24    HA   THR   5           HA       THR   5   0.989 -12.217 -12.217
   25    HB   THR   5           HB       THR   5   1.911 -13.503 -13.503
   26    HG1  THR   5           HG1      THR   5   0.258 -15.065 -15.065
   27   1HG2  THR   5          1HG2      THR   5   2.898 -13.954 -13.954
   28   2HG2  THR   5          2HG2      THR   5   1.842 -15.318 -15.318
   29   3HG2  THR   5          3HG2      THR   5   3.239 -14.905 -14.905
   30    H    CYS   6           HN       CYS   6   2.292 -10.899 -10.899
   31    HA   CYS   6           HA       CYS   6   4.613  -9.782  -9.782
   32   1HB   CYS   6          2HB       CYS   6   3.282  -9.521  -9.521
   33   2HB   CYS   6          3HB       CYS   6   4.958  -9.034  -9.034
   34    H    GLY   7           HN       GLY   7   5.334 -12.156 -12.156
   35   1HA   GLY   7          1HA       GLY   7   6.939 -13.701 -13.701
   36   2HA   GLY   7          2HA       GLY   7   7.435 -12.840 -12.840
   37    H    SER   8           HN       SER   8   5.349 -12.916 -12.916
   38    HA   SER   8           HA       SER   8   4.568 -15.717 -15.717
   39   1HB   SER   8          2HB       SER   8   5.304 -16.010 -16.010
   40   2HB   SER   8          3HB       SER   8   6.594 -15.050 -15.050
   41    HG   SER   8           HG       SER   8   4.388 -14.055 -14.055
   42    H    ASN   9           HN       ASN   9   2.778 -14.017 -14.017
   43    HA   ASN   9           HA       ASN   9   0.952 -13.630 -13.630
   44   1HB   ASN   9          2HB       ASN   9   1.367 -11.581 -11.581
   45   2HB   ASN   9          3HB       ASN   9   0.220 -11.437 -11.437
   46   1HD2  ASN   9          2HD2      ASN   9   4.294 -11.137 -11.137
   47   2HD2  ASN   9          1HD2      ASN   9   3.678 -12.137 -12.137
   48    H    CYS  10           HN       CYS  10  -1.304 -12.773 -12.773
   49    HA   CYS  10           HA       CYS  10  -1.674 -13.754 -13.754
   50   1HB   CYS  10          2HB       CYS  10  -1.419 -15.881 -15.881
   51   2HB   CYS  10          3HB       CYS  10  -3.149 -15.613 -15.613
   52    H    TYR  11           HN       TYR  11  -2.343 -11.367 -11.367
   53    HA   TYR  11           HA       TYR  11  -5.207 -11.568 -11.568
   54   1HB   TYR  11          2HB       TYR  11  -4.506  -9.140  -9.140
   55   2HB   TYR  11          3HB       TYR  11  -4.256 -10.577 -10.577
   56    HD1  TYR  11           HD2      TYR  11  -2.241  -9.468  -9.468
   57    HD2  TYR  11           HD1      TYR  11  -2.384  -9.983  -9.983
   58    HE1  TYR  11           HE2      TYR  11   0.241  -8.938  -8.938
   59    HE2  TYR  11           HE1      TYR  11   0.098  -9.452  -9.452
   60    HH   TYR  11           HH       TYR  11   1.758  -7.965  -7.965
   61    H    SER  12           HN       SER  12  -6.107 -11.265 -11.265
   62    HA   SER  12           HA       SER  12  -4.978  -9.612  -9.612
   63   1HB   SER  12          2HB       SER  12  -7.178  -9.845  -9.845
   64   2HB   SER  12          3HB       SER  12  -6.554 -11.381 -11.381
   65    HG   SER  12           HG       SER  12  -7.944 -10.836 -10.836
   66    H    SER  13           HN       SER  13  -6.634  -7.774  -7.774
   67    HA   SER  13           HA       SER  13  -6.372  -5.612  -5.612
   68   1HB   SER  13          2HB       SER  13  -8.386  -4.740  -4.740
   69   2HB   SER  13          3HB       SER  13  -6.780  -5.000  -5.000
   70    HG   SER  13           HG       SER  13  -7.630  -6.440  -6.440
   71    H    SER  14           HN       SER  14  -8.643  -8.209  -8.209
   72    HA   SER  14           HA       SER  14 -10.668  -6.650  -6.650
   73   1HB   SER  14          2HB       SER  14 -11.226  -8.669  -8.669
   74   2HB   SER  14          3HB       SER  14 -10.296  -9.670  -9.670
   75    HG   SER  14           HG       SER  14 -12.590  -8.077  -8.077
   76    H    ASP  15           HN       ASP  15  -7.795  -8.521  -8.521
   77    HA   ASP  15           HA       ASP  15  -8.576  -8.731  -8.731
   78   1HB   ASP  15          2HB       ASP  15  -6.233  -9.521  -9.521
   79   2HB   ASP  15          3HB       ASP  15  -5.888  -9.257  -9.257
   80    H    VAL  16           HN       VAL  16  -6.354  -6.791  -6.791
   81    HA   VAL  16           HA       VAL  16  -4.974  -5.436  -5.436
   82    HB   VAL  16           HB       VAL  16  -5.846  -4.557  -4.557
   83   1HG1  VAL  16          2HG1      VAL  16  -4.284  -3.195  -3.195
   84   2HG1  VAL  16          3HG1      VAL  16  -3.455  -3.295  -3.295
   85   3HG1  VAL  16          1HG1      VAL  16  -5.066  -2.543  -2.543
   86   1HG2  VAL  16          3HG2      VAL  16  -4.516  -6.682  -6.682
   87   2HG2  VAL  16          1HG2      VAL  16  -3.722  -5.380  -5.380
   88   3HG2  VAL  16          2HG2      VAL  16  -3.200  -5.745  -5.745
   89    H    SER  17           HN       SER  17  -8.148  -4.699  -4.699
   90    HA   SER  17           HA       SER  17  -8.704  -2.289  -2.289
   91   1HB   SER  17          2HB       SER  17 -10.306  -3.744  -3.744
   92   2HB   SER  17          3HB       SER  17 -10.550  -4.704  -4.704
   93    HG   SER  17           HG       SER  17 -11.730  -3.103  -3.103
   94    H    THR  18           HN       THR  18  -8.994  -5.268  -5.268
   95    HA   THR  18           HA       THR  18  -9.928  -4.096  -4.096
   96    HB   THR  18           HB       THR  18  -8.289  -6.524  -6.524
   97    HG1  THR  18           HG1      THR  18 -10.710  -6.228  -6.228
   98   1HG2  THR  18          3HG2      THR  18  -7.432  -5.605  -5.605
   99   2HG2  THR  18          1HG2      THR  18  -9.086  -5.886  -5.886
  100   3HG2  THR  18          2HG2      THR  18  -8.107  -7.253  -7.253
  101    H    ALA  19           HN       ALA  19  -6.458  -4.596  -4.596
  102    HA   ALA  19           HA       ALA  19  -5.406  -3.351  -3.351
  103   1HB   ALA  19          3HB       ALA  19  -4.348  -3.588  -3.588
  104   2HB   ALA  19          1HB       ALA  19  -3.372  -3.116  -3.116
  105   3HB   ALA  19          2HB       ALA  19  -4.092  -4.741  -4.741
  106    H    GLN  20           HN       GLN  20  -6.505  -2.033  -2.033
  107    HA   GLN  20           HA       GLN  20  -5.542   0.516   0.516
  108   1HB   GLN  20          2HB       GLN  20  -8.133  -0.235  -0.235
  109   2HB   GLN  20          3HB       GLN  20  -7.130   1.165   1.165
  110   1HG   GLN  20          2HG       GLN  20  -5.364  -0.162  -0.162
  111   2HG   GLN  20          3HG       GLN  20  -5.988  -1.642  -1.642
  112   1HE2  GLN  20          2HE2      GLN  20  -8.166   0.052   0.052
  113   2HE2  GLN  20          1HE2      GLN  20  -7.494   1.015   1.015
  114    H    ALA  21           HN       ALA  21  -8.848  -0.808  -0.808
  115    HA   ALA  21           HA       ALA  21 -10.146   1.308   1.308
  116   1HB   ALA  21          2HB       ALA  21 -10.209  -1.518  -1.518
  117   2HB   ALA  21          3HB       ALA  21 -10.440  -0.748  -0.748
  118   3HB   ALA  21          1HB       ALA  21 -11.525  -0.344  -0.344
  119    H    ALA  22           HN       ALA  22  -7.373  -0.291  -0.291
  120    HA   ALA  22           HA       ALA  22  -7.621   1.270   1.270
  121   1HB   ALA  22          3HB       ALA  22  -6.522  -1.073  -1.073
  122   2HB   ALA  22          1HB       ALA  22  -5.102  -0.123  -0.123
  123   3HB   ALA  22          2HB       ALA  22  -5.756   0.054   0.054
  124    H    GLY  23           HN       GLY  23  -5.367   1.265   1.265
  125   1HA   GLY  23          1HA       GLY  23  -3.798   3.413   3.413
  126   2HA   GLY  23          2HA       GLY  23  -4.220   2.944   2.944
  127    H    TYR  24           HN       TYR  24  -7.081   3.381   3.381
  128    HA   TYR  24           HA       TYR  24  -7.100   6.187   6.187
  129   1HB   TYR  24          2HB       TYR  24  -8.455   4.451   4.451
  130   2HB   TYR  24          3HB       TYR  24  -9.234   3.979   3.979
  131    HD1  TYR  24           HD2      TYR  24  -8.575   7.492   7.492
  132    HD2  TYR  24           HD1      TYR  24 -11.498   4.391   4.391
  133    HE1  TYR  24           HE2      TYR  24 -10.432   9.175   9.175
  134    HE2  TYR  24           HE1      TYR  24 -13.344   6.085   6.085
  135    HH   TYR  24           HH       TYR  24 -13.118   9.130   9.130
  136    H    LYS  25           HN       LYS  25  -9.216   4.187   4.187
  137    HA   LYS  25           HA       LYS  25 -10.374   6.080   6.080
  138   1HB   LYS  25          2HB       LYS  25 -11.028   4.013   4.013
  139   2HB   LYS  25          3HB       LYS  25  -9.411   3.343   3.343
  140   1HG   LYS  25          2HG       LYS  25 -10.065   5.426   5.426
  141   2HG   LYS  25          3HG       LYS  25 -10.584   3.770   3.770
  142   1HD   LYS  25          2HD       LYS  25  -7.879   3.590   3.590
  143   2HD   LYS  25          3HD       LYS  25  -7.912   4.917   4.917
  144   1HE   LYS  25          2HE       LYS  25  -7.628   3.151   3.151
  145   2HE   LYS  25          3HE       LYS  25  -9.380   3.212   3.212
  146   1HZ   LYS  25          3HZ       LYS  25  -8.010   1.577   1.577
  147   2HZ   LYS  25          1HZ       LYS  25  -8.140   1.014   1.014
  148   3HZ   LYS  25          2HZ       LYS  25  -9.484   1.369   1.369
  149    H    LEU  26           HN       LEU  26  -7.071   4.780   4.780
  150    HA   LEU  26           HA       LEU  26  -6.620   6.661   6.661
  151   1HB   LEU  26          2HB       LEU  26  -5.401   4.666   4.666
  152   2HB   LEU  26          3HB       LEU  26  -4.883   4.815   4.815
  153    HG   LEU  26           HG       LEU  26  -3.410   6.686   6.686
  154   1HD1  LEU  26          3HD1      LEU  26  -4.804   6.437   6.437
  155   2HD1  LEU  26          1HD1      LEU  26  -3.062   6.801   6.801
  156   3HD1  LEU  26          2HD1      LEU  26  -4.174   7.873   7.873
  157   1HD2  LEU  26          3HD2      LEU  26  -2.931   4.060   4.060
  158   2HD2  LEU  26          1HD2      LEU  26  -1.717   5.334   5.334
  159   3HD2  LEU  26          2HD2      LEU  26  -2.617   4.663   4.663
  160    H    HIS  27           HN       HIS  27  -6.168   6.683   6.683
  161    HA   HIS  27           HA       HIS  27  -4.511   8.954   8.954
  162   1HB   HIS  27          2HB       HIS  27  -4.445   7.583   7.583
  163   2HB   HIS  27          3HB       HIS  27  -6.191   7.497   7.497
  164    HD1  HIS  27           HD1      HIS  27  -3.650  10.388  10.388
  165    HD2  HIS  27           HD2      HIS  27  -7.022   8.971   8.971
  166    HE1  HIS  27           HE1      HIS  27  -4.075  12.037  12.037
  167    HE2  HIS  27           HE2      HIS  27  -6.126  11.085  11.085
  168    H    GLU  28           HN       GLU  28  -8.078   8.473   8.473
  169    HA   GLU  28           HA       GLU  28  -8.692  11.090  11.090
  170   1HB   GLU  28          2HB       GLU  28 -10.762   9.859   9.859
  171   2HB   GLU  28          3HB       GLU  28 -10.779  10.226  10.226
  172   1HG   GLU  28          2HG       GLU  28  -9.476   8.111   8.111
  173   2HG   GLU  28          3HG       GLU  28  -9.545   7.738   7.738
  174    H    ASP  29           HN       ASP  29  -7.756   9.499   9.499
  175    HA   ASP  29           HA       ASP  29  -8.771  11.641  11.641
  176   1HB   ASP  29          2HB       ASP  29  -7.028   9.214   9.214
  177   2HB   ASP  29          3HB       ASP  29  -7.534  10.365  10.365
  178    H    GLY  30           HN       GLY  30  -5.948  10.844  10.844
  179   1HA   GLY  30          1HA       GLY  30  -4.026  11.966  11.966
  180   2HA   GLY  30          2HA       GLY  30  -4.608  13.253  13.253
  181    H    GLU  31           HN       GLU  31  -4.486   9.899   9.899
  182    HA   GLU  31           HA       GLU  31  -2.309  10.745  10.745
  183   1HB   GLU  31          2HB       GLU  31  -4.627   8.828   8.828
  184   2HB   GLU  31          3HB       GLU  31  -3.207   8.734   8.734
  185   1HG   GLU  31          2HG       GLU  31  -4.751  11.330  11.330
  186   2HG   GLU  31          3HG       GLU  31  -5.132  10.210  10.210
  187    H    THR  32           HN       THR  32  -0.992   8.693   8.693
  188    HA   THR  32           HA       THR  32  -0.500   6.945   6.945
  189    HB   THR  32           HB       THR  32   1.917   7.149   7.149
  190    HG1  THR  32           HG1      THR  32   1.368   7.559   7.559
  191   1HG2  THR  32          3HG2      THR  32   0.356   9.749   9.749
  192   2HG2  THR  32          1HG2      THR  32   2.130   9.756   9.756
  193   3HG2  THR  32          2HG2      THR  32   1.350   8.910   8.910
  194    H    VAL  33           HN       VAL  33   0.934   4.981   4.981
  195    HA   VAL  33           HA       VAL  33  -0.468   3.920   3.920
  196    HB   VAL  33           HB       VAL  33   0.191   1.713   1.713
  197   1HG1  VAL  33          3HG1      VAL  33  -1.965   3.315   3.315
  198   2HG1  VAL  33          1HG1      VAL  33  -1.377   2.959   2.959
  199   3HG1  VAL  33          2HG1      VAL  33  -1.795   1.627   1.627
  200   1HG2  VAL  33          3HG2      VAL  33   2.058   2.813   2.813
  201   2HG2  VAL  33          1HG2      VAL  33   1.100   1.505   1.505
  202   3HG2  VAL  33          2HG2      VAL  33   0.757   3.201   3.201
  203    H    GLY  34           HN       GLY  34   0.663   3.636   3.636
  204   1HA   GLY  34          1HA       GLY  34   2.841   4.443   4.443
  205   2HA   GLY  34          2HA       GLY  34   2.553   2.722   2.722
  206    H    SER  35           HN       SER  35   4.250   5.232   5.232
  207    HA   SER  35           HA       SER  35   6.597   4.140   4.140
  208   1HB   SER  35          2HB       SER  35   4.828   2.792   2.792
  209   2HB   SER  35          3HB       SER  35   6.568   2.895   2.895
  210    HG   SER  35           HG       SER  35   6.893   1.498   1.498
  211    H    ASN  36           HN       ASN  36   6.600   4.171   4.171
  212    HA   ASN  36           HA       ASN  36   7.409   6.712   6.712
  213   1HB   ASN  36          2HB       ASN  36   6.391   4.542   4.542
  214   2HB   ASN  36          3HB       ASN  36   6.299   6.146   6.146
  215   1HD2  ASN  36          2HD2      ASN  36   9.602   4.513   4.513
  216   2HD2  ASN  36          1HD2      ASN  36   7.938   4.058   4.058
  217    H    SER  37           HN       SER  37   5.712   7.542   7.542
  218    HA   SER  37           HA       SER  37   3.457   8.557   8.557
  219   1HB   SER  37          2HB       SER  37   3.432  10.374  10.374
  220   2HB   SER  37          3HB       SER  37   4.802  10.393  10.393
  221    HG   SER  37           HG       SER  37   6.082  10.167  10.167
  222    H    TYR  38           HN       TYR  38   3.347   5.923   5.923
  223    HA   TYR  38           HA       TYR  38   2.009   6.101   6.101
  224   1HB   TYR  38          2HB       TYR  38   2.485   3.910   3.910
  225   2HB   TYR  38          3HB       TYR  38   1.785   3.582   3.582
  226    HD1  TYR  38           HD2      TYR  38   4.619   5.897   5.897
  227    HD2  TYR  38           HD1      TYR  38   3.411   2.138   2.138
  228    HE1  TYR  38           HE2      TYR  38   6.945   5.568   5.568
  229    HE2  TYR  38           HE1      TYR  38   5.741   1.822   1.822
  230    HH   TYR  38           HH       TYR  38   7.718   3.907   3.907
  231    HA   PRO  39           HA       PRO  39   0.681   5.173   5.173
  232   1HB   PRO  39          2HB       PRO  39  -1.444   6.089   6.089
  233   2HB   PRO  39          3HB       PRO  39  -1.305   4.433   4.433
  234   1HG   PRO  39          2HG       PRO  39  -3.024   6.598   6.598
  235   2HG   PRO  39          3HG       PRO  39  -3.168   4.869   4.869
  236   1HD   PRO  39          2HD       PRO  39  -2.159   6.787   6.787
  237   2HD   PRO  39          3HD       PRO  39  -2.196   5.046   5.046
  238    H    HIS  40           HN       HIS  40   0.707   6.613   6.613
  239    HA   HIS  40           HA       HIS  40   0.616   9.357   9.357
  240   1HB   HIS  40          2HB       HIS  40   2.927   9.974   9.974
  241   2HB   HIS  40          3HB       HIS  40   2.463   8.951   8.951
  242    HD1  HIS  40           HD1      HIS  40   4.544   8.916   8.916
  243    HD2  HIS  40           HD2      HIS  40   3.856   6.532   6.532
  244    HE1  HIS  40           HE1      HIS  40   6.334   7.098   7.098
  245    HE2  HIS  40           HE2      HIS  40   5.893   5.697   5.697
  246    H    LYS  41           HN       LYS  41   1.810  10.521  10.521
  247    HA   LYS  41           HA       LYS  41   0.976   9.522   9.522
  248   1HB   LYS  41          2HB       LYS  41   2.374  11.767  11.767
  249   2HB   LYS  41          3HB       LYS  41   3.444  11.051  11.051
  250   1HG   LYS  41          2HG       LYS  41   2.154  12.026  12.026
  251   2HG   LYS  41          3HG       LYS  41   0.924  10.837  10.837
  252   1HD   LYS  41          2HD       LYS  41  -0.122  13.011  13.011
  253   2HD   LYS  41          3HD       LYS  41   0.053  12.399  12.399
  254   1HE   LYS  41          2HE       LYS  41   0.797  14.676  14.676
  255   2HE   LYS  41          3HE       LYS  41   2.259  13.712  13.712
  256   1HZ   LYS  41          3HZ       LYS  41   1.946  14.037  14.037
  257   2HZ   LYS  41          1HZ       LYS  41   1.289  15.436  15.436
  258   3HZ   LYS  41          2HZ       LYS  41   2.825  15.050  15.050
  259    H    TYR  42           HN       TYR  42   2.449   8.896   8.896
  260    HA   TYR  42           HA       TYR  42   4.705   7.256   7.256
  261   1HB   TYR  42          2HB       TYR  42   2.863   5.675   5.675
  262   2HB   TYR  42          3HB       TYR  42   1.988   6.331   6.331
  263    HD1  TYR  42           HD1      TYR  42   2.575   5.692   5.692
  264    HD2  TYR  42           HD2      TYR  42   4.672   4.060   4.060
  265    HE1  TYR  42           HE1      TYR  42   3.550   3.874   3.874
  266    HE2  TYR  42           HE2      TYR  42   5.639   2.248   2.248
  267    HH   TYR  42           HH       TYR  42   4.555   1.875   1.875
  268    H    ASN  43           HN       ASN  43   3.614   9.641   9.641
  269    HA   ASN  43           HA       ASN  43   3.499   9.696   9.696
  270   1HB   ASN  43          2HB       ASN  43   5.819  10.706  10.706
  271   2HB   ASN  43          3HB       ASN  43   6.118  10.644  10.644
  272   1HD2  ASN  43          2HD2      ASN  43   3.106  13.053  13.053
  273   2HD2  ASN  43          1HD2      ASN  43   3.632  11.617  11.617
  274    H    ASN  44           HN       ASN  44   3.493   7.561   7.561
  275    HA   ASN  44           HA       ASN  44   5.616   5.825   5.825
  276   1HB   ASN  44          2HB       ASN  44   4.461   4.631   4.631
  277   2HB   ASN  44          3HB       ASN  44   3.195   5.435   5.435
  278   1HD2  ASN  44          2HD2      ASN  44   4.118   6.473   6.473
  279   2HD2  ASN  44          1HD2      ASN  44   5.120   5.435   5.435
  280    H    TYR  45           HN       TYR  45   6.657   5.133   5.133
  281    HA   TYR  45           HA       TYR  45   7.135   7.022   7.022
  282   1HB   TYR  45          2HB       TYR  45   8.693   7.226   7.226
  283   2HB   TYR  45          3HB       TYR  45   9.700   7.218   7.218
  284    HD1  TYR  45           HD1      TYR  45   6.576   8.613   8.613
  285    HD2  TYR  45           HD2      TYR  45  10.226   9.548   9.548
  286    HE1  TYR  45           HE1      TYR  45   6.131  11.095  11.095
  287    HE2  TYR  45           HE2      TYR  45   9.769  12.026  12.026
  288    HH   TYR  45           HH       TYR  45   8.251  13.329  13.329
  289    H    GLU  46           HN       GLU  46   8.681   4.521   4.521
  290    HA   GLU  46           HA       GLU  46  10.569   3.569   3.569
  291   1HB   GLU  46          2HB       GLU  46   8.586   1.937   1.937
  292   2HB   GLU  46          3HB       GLU  46  10.097   1.307   1.307
  293   1HG   GLU  46          2HG       GLU  46   9.621   3.213   3.213
  294   2HG   GLU  46          3HG       GLU  46  10.846   1.972   1.972
  295    H    GLY  47           HN       GLY  47   7.143   3.603   3.603
  296   1HA   GLY  47          1HA       GLY  47   6.607   3.332   3.332
  297   2HA   GLY  47          2HA       GLY  47   7.586   1.878   1.878
  298    H    PHE  48           HN       PHE  48   4.992   3.251   3.251
  299    HA   PHE  48           HA       PHE  48   3.814   0.581   0.581
  300   1HB   PHE  48          2HB       PHE  48   3.530   3.175   3.175
  301   2HB   PHE  48          3HB       PHE  48   2.488   1.794   1.794
  302    HD1  PHE  48           HD2      PHE  48   3.440  -0.313  -0.313
  303    HD2  PHE  48           HD1      PHE  48   5.784   3.204   3.204
  304    HE1  PHE  48           HE2      PHE  48   5.141  -1.279  -1.279
  305    HE2  PHE  48           HE1      PHE  48   7.486   2.238   2.238
  306    HZ   PHE  48           HZ       PHE  48   7.143   0.008   0.008
  307    H    ASP  49           HN       ASP  49   1.836   0.130   0.130
  308    HA   ASP  49           HA       ASP  49   0.609   2.343   2.343
  309   1HB   ASP  49          2HB       ASP  49  -0.366  -0.494  -0.494
  310   2HB   ASP  49          3HB       ASP  49  -0.273   0.758   0.758
  311    H    PHE  50           HN       PHE  50  -0.182   3.050   3.050
  312    HA   PHE  50           HA       PHE  50  -2.071   1.402   1.402
  313   1HB   PHE  50          2HB       PHE  50  -1.370   4.397   4.397
  314   2HB   PHE  50          3HB       PHE  50  -2.469   3.673   3.673
  315    HD1  PHE  50           HD1      PHE  50  -0.472   1.055   1.055
  316    HD2  PHE  50           HD2      PHE  50  -0.144   5.119   5.119
  317    HE1  PHE  50           HE1      PHE  50   1.472   0.472   0.472
  318    HE2  PHE  50           HE2      PHE  50   1.800   4.536   4.536
  319    HZ   PHE  50           HZ       PHE  50   2.585   2.219   2.219
  320    H    SER  51           HN       SER  51  -4.138   1.004   1.004
  321    HA   SER  51           HA       SER  51  -5.277   2.545   2.545
  322   1HB   SER  51          2HB       SER  51  -7.187   1.002   1.002
  323   2HB   SER  51          3HB       SER  51  -5.675   0.113   0.113
  324    HG   SER  51           HG       SER  51  -7.311   0.759   0.759
  325    H    VAL  52           HN       VAL  52  -4.615   3.918   3.918
  326    HA   VAL  52           HA       VAL  52  -7.302   4.981   4.981
  327    HB   VAL  52           HB       VAL  52  -6.902   5.090   5.090
  328   1HG1  VAL  52          1HG1      VAL  52  -7.153   2.679   2.679
  329   2HG1  VAL  52          2HG1      VAL  52  -5.953   2.348   2.348
  330   3HG1  VAL  52          3HG1      VAL  52  -7.560   2.976   2.976
  331   1HG2  VAL  52          2HG2      VAL  52  -4.216   5.177   5.177
  332   2HG2  VAL  52          3HG2      VAL  52  -4.896   5.025   5.025
  333   3HG2  VAL  52          1HG2      VAL  52  -4.391   3.571   3.571
  334    H    SER  53           HN       SER  53  -7.368   7.246   7.246
  335    HA   SER  53           HA       SER  53  -5.103   8.590   8.590
  336   1HB   SER  53          2HB       SER  53  -7.819   9.600   9.600
  337   2HB   SER  53          3HB       SER  53  -6.606  10.622  10.622
  338    HG   SER  53           HG       SER  53  -7.572   8.234   8.234
  339    H    SER  54           HN       SER  54  -3.671   9.953   9.953
  340    HA   SER  54           HA       SER  54  -3.023   9.497   9.497
  341   1HB   SER  54          2HB       SER  54  -2.150  11.950  11.950
  342   2HB   SER  54          3HB       SER  54  -1.548  10.867  10.867
  343    HG   SER  54           HG       SER  54  -2.820  11.850  11.850
  344    HA   PRO  55           HA       PRO  55  -2.089  11.212  11.212
  345   1HB   PRO  55          2HB       PRO  55  -1.909  11.216  11.216
  346   2HB   PRO  55          3HB       PRO  55  -1.898  12.679  12.679
  347   1HG   PRO  55          2HG       PRO  55  -4.081  11.567  11.567
  348   2HG   PRO  55          3HG       PRO  55  -3.890  13.198  13.198
  349   1HD   PRO  55          2HD       PRO  55  -5.644  11.175  11.175
  350   2HD   PRO  55          3HD       PRO  55  -5.368  12.765  12.765
  351    H    TYR  56           HN       TYR  56  -0.525   9.735   9.735
  352    HA   TYR  56           HA       TYR  56  -1.858   7.110   7.110
  353   1HB   TYR  56          2HB       TYR  56   1.015   8.042   8.042
  354   2HB   TYR  56          3HB       TYR  56   0.533   6.357   6.357
  355    HD1  TYR  56           HD1      TYR  56  -2.155   6.614   6.614
  356    HD2  TYR  56           HD2      TYR  56   1.660   8.326   8.326
  357    HE1  TYR  56           HE1      TYR  56  -2.798   6.774   6.774
  358    HE2  TYR  56           HE2      TYR  56   1.004   8.480   8.480
  359    HH   TYR  56           HH       TYR  56  -1.027   6.868   6.868
  360    H    TYR  57           HN       TYR  57  -2.218   6.537   6.537
  361    HA   TYR  57           HA       TYR  57  -0.247   7.334   7.334
  362   1HB   TYR  57          2HB       TYR  57  -2.947   5.854   5.854
  363   2HB   TYR  57          3HB       TYR  57  -2.103   6.537   6.537
  364    HD1  TYR  57           HD2      TYR  57  -1.314   9.072   9.072
  365    HD2  TYR  57           HD1      TYR  57  -4.949   7.166   7.166
  366    HE1  TYR  57           HE2      TYR  57  -2.573  11.258  11.258
  367    HE2  TYR  57           HE1      TYR  57  -6.196   9.359   9.359
  368    HH   TYR  57           HH       TYR  57  -4.794  12.229  12.229
  369    H    GLU  58           HN       GLU  58   1.309   5.963   5.963
  370    HA   GLU  58           HA       GLU  58   1.071   3.206   3.206
  371   1HB   GLU  58          2HB       GLU  58   3.481   3.074   3.074
  372   2HB   GLU  58          3HB       GLU  58   3.177   4.294   4.294
  373   1HG   GLU  58          2HG       GLU  58   3.035   6.028   6.028
  374   2HG   GLU  58          3HG       GLU  58   3.493   4.784   4.784
  375    H    TRP  59           HN       TRP  59   0.543   1.566   1.566
  376    HA   TRP  59           HA       TRP  59   0.986   1.997   1.997
  377   1HB   TRP  59          2HB       TRP  59  -1.222   2.769   2.769
  378   2HB   TRP  59          3HB       TRP  59  -1.690   1.546   1.546
  379    HD1  TRP  59           HD1      TRP  59  -2.476  -0.826  -0.826
  380    HE1  TRP  59           HE1      TRP  59  -3.027  -1.791  -1.791
  381    HE3  TRP  59           HE3      TRP  59  -0.396   3.015   3.015
  382    HZ2  TRP  59           HZ2      TRP  59  -2.542  -0.861  -0.861
  383    HZ3  TRP  59           HZ3      TRP  59  -0.478   2.909   2.909
  384    HH2  TRP  59           HH2      TRP  59  -1.504   1.057   1.057
  385    HA   PRO  60           HA       PRO  60   2.102  -2.181  -2.181
  386   1HB   PRO  60          2HB       PRO  60   1.968  -3.028  -3.028
  387   2HB   PRO  60          3HB       PRO  60   3.322  -2.121  -2.121
  388   1HG   PRO  60          2HG       PRO  60   1.148  -1.195  -1.195
  389   2HG   PRO  60          3HG       PRO  60   2.706  -0.454  -0.454
  390   1HD   PRO  60          2HD       PRO  60   0.174   0.375   0.375
  391   2HD   PRO  60          3HD       PRO  60   1.746   1.042   1.042
  392    H    ILE  61           HN       ILE  61   1.429  -4.358  -4.358
  393    HA   ILE  61           HA       ILE  61  -1.452  -4.576  -4.576
  394    HB   ILE  61           HB       ILE  61  -0.926  -4.340  -4.340
  395   1HG1  ILE  61          2HG1      ILE  61  -1.907  -7.131  -7.131
  396   2HG1  ILE  61          3HG1      ILE  61  -2.867  -5.688  -5.688
  397   1HG2  ILE  61          3HG2      ILE  61   1.323  -5.371  -5.371
  398   2HG2  ILE  61          1HG2      ILE  61   0.563  -6.964  -6.964
  399   3HG2  ILE  61          2HG2      ILE  61   0.278  -6.050  -6.050
  400   1HD1  ILE  61          3HD1      ILE  61  -2.585  -5.098  -5.098
  401   2HD1  ILE  61          1HD1      ILE  61  -1.710  -6.630  -6.630
  402   3HD1  ILE  61          2HD1      ILE  61  -3.424  -6.648  -6.648
  403    H    LEU  62           HN       LEU  62  -1.819  -5.932  -5.932
  404    HA   LEU  62           HA       LEU  62   0.217  -7.857  -7.857
  405   1HB   LEU  62          2HB       LEU  62  -2.397  -7.057  -7.057
  406   2HB   LEU  62          3HB       LEU  62  -1.342  -8.304  -8.304
  407    HG   LEU  62           HG       LEU  62  -0.562  -5.399  -5.399
  408   1HD1  LEU  62          1HD1      LEU  62  -1.426  -6.917  -6.917
  409   2HD1  LEU  62          2HD1      LEU  62  -0.635  -5.322  -5.322
  410   3HD1  LEU  62          3HD1      LEU  62  -2.224  -5.516  -5.516
  411   1HD2  LEU  62          2HD2      LEU  62   0.909  -7.692  -7.692
  412   2HD2  LEU  62          3HD2      LEU  62   1.359  -6.869  -6.869
  413   3HD2  LEU  62          1HD2      LEU  62   1.408  -5.983  -5.983
  414    H    SER  63           HN       SER  63   0.289  -9.871  -9.871
  415    HA   SER  63           HA       SER  63  -1.552 -10.810 -10.810
  416   1HB   SER  63          2HB       SER  63   0.733 -11.704 -11.704
  417   2HB   SER  63          3HB       SER  63   0.376 -12.355 -12.355
  418    HG   SER  63           HG       SER  63  -0.715 -13.189 -13.189
  419    H    SER  64           HN       SER  64  -1.841 -10.478 -10.478
  420    HA   SER  64           HA       SER  64  -3.623 -12.708 -12.708
  421   1HB   SER  64          2HB       SER  64  -2.337 -10.700 -10.700
  422   2HB   SER  64          3HB       SER  64  -3.876 -11.347 -11.347
  423    HG   SER  64           HG       SER  64  -3.027 -13.357 -13.357
  424    H    GLY  65           HN       GLY  65  -3.753  -9.468  -9.468
  425   1HA   GLY  65          1HA       GLY  65  -5.546  -8.304  -8.304
  426   2HA   GLY  65          2HA       GLY  65  -6.626  -9.525  -9.525
  427    H    ASP  66           HN       ASP  66  -4.079  -7.858  -7.858
  428    HA   ASP  66           HA       ASP  66  -6.241  -6.743  -6.743
  429   1HB   ASP  66          2HB       ASP  66  -3.334  -7.406  -7.406
  430   2HB   ASP  66          3HB       ASP  66  -4.359  -6.497  -6.497
  431    H    VAL  67           HN       VAL  67  -4.804  -4.752  -4.752
  432    HA   VAL  67           HA       VAL  67  -3.923  -2.993  -2.993
  433    HB   VAL  67           HB       VAL  67  -5.499  -2.474  -2.474
  434   1HG1  VAL  67          3HG1      VAL  67  -3.750  -0.767  -0.767
  435   2HG1  VAL  67          1HG1      VAL  67  -4.185  -0.414  -0.414
  436   3HG1  VAL  67          2HG1      VAL  67  -5.341  -0.064  -0.064
  437   1HG2  VAL  67          3HG2      VAL  67  -6.021  -2.418  -2.418
  438   2HG2  VAL  67          1HG2      VAL  67  -7.086  -2.882  -2.882
  439   3HG2  VAL  67          2HG2      VAL  67  -6.803  -1.161  -1.161
  440    H    TYR  68           HN       TYR  68  -1.748  -2.771  -2.771
  441    HA   TYR  68           HA       TYR  68   0.002  -3.607  -3.607
  442   1HB   TYR  68          2HB       TYR  68   0.281  -2.472  -2.472
  443   2HB   TYR  68          3HB       TYR  68   0.120  -0.930  -0.930
  444    HD1  TYR  68           HD2      TYR  68   2.014  -4.001  -4.001
  445    HD2  TYR  68           HD1      TYR  68   2.205   0.108   0.108
  446    HE1  TYR  68           HE2      TYR  68   4.514  -3.978  -3.978
  447    HE2  TYR  68           HE1      TYR  68   4.704   0.118   0.118
  448    HH   TYR  68           HH       TYR  68   6.207  -1.650  -1.650
  449    H    SER  69           HN       SER  69   1.380  -2.485  -2.485
  450    HA   SER  69           HA       SER  69  -0.290  -0.701  -0.701
  451   1HB   SER  69          2HB       SER  69   1.468  -1.216  -1.216
  452   2HB   SER  69          3HB       SER  69   0.443  -2.546  -2.546
  453    HG   SER  69           HG       SER  69   2.867  -2.204  -2.204
  454    H    GLY  70           HN       GLY  70   2.620  -0.848  -0.848
  455   1HA   GLY  70          1HA       GLY  70   3.239   1.447   1.447
  456   2HA   GLY  70          2HA       GLY  70   3.397   1.854   1.854
  457    H    GLY  71           HN       GLY  71   5.479   1.908   1.908
  458   1HA   GLY  71          1HA       GLY  71   7.773   1.626   1.626
  459   2HA   GLY  71          2HA       GLY  71   7.424   0.157   0.157
  460    H    SER  72           HN       SER  72   8.610  -1.379  -1.379
  461    HA   SER  72           HA       SER  72   8.427  -1.367  -1.367
  462   1HB   SER  72          2HB       SER  72  10.046  -2.998  -2.998
  463   2HB   SER  72          3HB       SER  72  10.049  -3.358  -3.358
  464    HG   SER  72           HG       SER  72  11.388  -1.725  -1.725
  465    HA   PRO  73           HA       PRO  73   5.147  -4.319  -4.319
  466   1HB   PRO  73          2HB       PRO  73   3.898  -3.892  -3.892
  467   2HB   PRO  73          3HB       PRO  73   3.524  -2.983  -2.983
  468   1HG   PRO  73          2HG       PRO  73   5.069  -2.132  -2.132
  469   2HG   PRO  73          3HG       PRO  73   4.330  -1.141  -1.141
  470   1HD   PRO  73          2HD       PRO  73   7.116  -1.772  -1.772
  471   2HD   PRO  73          3HD       PRO  73   6.362  -0.879  -0.879
  472    H    GLY  74           HN       GLY  74   7.891  -4.393  -4.393
  473   1HA   GLY  74          1HA       GLY  74   8.805  -6.571  -6.571
  474   2HA   GLY  74          2HA       GLY  74   7.253  -7.073  -7.073
  475    H    ALA  75           HN       ALA  75   6.757  -6.734  -6.734
  476    HA   ALA  75           HA       ALA  75   8.480  -4.923  -4.923
  477   1HB   ALA  75          1HB       ALA  75   8.208  -7.913  -7.913
  478   2HB   ALA  75          2HB       ALA  75   8.635  -6.825  -6.825
  479   3HB   ALA  75          3HB       ALA  75   9.689  -6.927  -6.927
  480    H    ASP  76           HN       ASP  76   5.622  -7.104  -7.104
  481    HA   ASP  76           HA       ASP  76   4.426  -6.258  -6.258
  482   1HB   ASP  76          2HB       ASP  76   2.871  -6.965  -6.965
  483   2HB   ASP  76          3HB       ASP  76   2.434  -7.298  -7.298
  484    H    ARG  77           HN       ARG  77   3.185  -4.403  -4.403
  485    HA   ARG  77           HA       ARG  77   2.172  -2.843  -2.843
  486   1HB   ARG  77          2HB       ARG  77   3.901  -1.453  -1.453
  487   2HB   ARG  77          3HB       ARG  77   3.296  -0.786  -0.786
  488   1HG   ARG  77          2HG       ARG  77   5.017  -3.232  -3.232
  489   2HG   ARG  77          3HG       ARG  77   5.824  -1.767  -1.767
  490   1HD   ARG  77          2HD       ARG  77   4.603  -0.620  -0.620
  491   2HD   ARG  77          3HD       ARG  77   4.320  -2.252  -2.252
  492    HE   ARG  77           HE       ARG  77   6.947  -0.899  -0.899
  493   1HH1  ARG  77           HH2      ARG  77   5.180  -3.867  -3.867
  494   2HH1  ARG  77           HH2      ARG  77   6.506  -4.622  -4.622
  495   1HH2  ARG  77           HH1      ARG  77   8.697  -1.894  -1.894
  496   2HH2  ARG  77           HH1      ARG  77   8.520  -3.492  -3.492
  497    H    VAL  78           HN       VAL  78   0.433  -1.411  -1.411
  498    HA   VAL  78           HA       VAL  78  -0.402  -1.900  -1.900
  499    HB   VAL  78           HB       VAL  78  -2.021  -2.949  -2.949
  500   1HG1  VAL  78          3HG1      VAL  78  -1.041  -2.445  -2.445
  501   2HG1  VAL  78          1HG1      VAL  78  -1.815  -0.843  -0.843
  502   3HG1  VAL  78          2HG1      VAL  78  -2.815  -2.315  -2.315
  503   1HG2  VAL  78          3HG2      VAL  78  -2.903  -0.049  -0.049
  504   2HG2  VAL  78          1HG2      VAL  78  -3.186  -1.320  -1.320
  505   3HG2  VAL  78          2HG2      VAL  78  -3.995  -1.405  -1.405
  506    H    VAL  79           HN       VAL  79  -0.847  -0.146  -0.146
  507    HA   VAL  79           HA       VAL  79  -0.485   2.469   2.469
  508    HB   VAL  79           HB       VAL  79   0.145   1.504   1.504
  509   1HG1  VAL  79          2HG1      VAL  79  -0.744   4.020   4.020
  510   2HG1  VAL  79          3HG1      VAL  79   1.011   4.213   4.213
  511   3HG1  VAL  79          1HG1      VAL  79   0.379   3.621   3.621
  512   1HG2  VAL  79          2HG2      VAL  79   1.736   2.002   2.002
  513   2HG2  VAL  79          3HG2      VAL  79   1.997   0.841   0.841
  514   3HG2  VAL  79          1HG2      VAL  79   2.448   2.548   2.548
  515    H    PHE  80           HN       PHE  80  -2.079   4.010   4.010
  516    HA   PHE  80           HA       PHE  80  -4.123   3.618   3.618
  517   1HB   PHE  80          2HB       PHE  80  -5.907   3.384   3.384
  518   2HB   PHE  80          3HB       PHE  80  -4.664   2.279   2.279
  519    HD1  PHE  80           HD2      PHE  80  -2.929   3.350   3.350
  520    HD2  PHE  80           HD1      PHE  80  -6.837   4.839   4.839
  521    HE1  PHE  80           HE2      PHE  80  -2.905   4.497   4.497
  522    HE2  PHE  80           HE1      PHE  80  -6.813   5.986   5.986
  523    HZ   PHE  80           HZ       PHE  80  -4.848   5.801   5.801
  524    H    ASN  81           HN       ASN  81  -5.692   5.506   5.506
  525    HA   ASN  81           HA       ASN  81  -4.225   7.863   7.863
  526   1HB   ASN  81          2HB       ASN  81  -4.899   8.887   8.887
  527   2HB   ASN  81          3HB       ASN  81  -5.155   7.244   7.244
  528   1HD2  ASN  81          2HD2      ASN  81  -8.721   7.265   7.265
  529   2HD2  ASN  81          1HD2      ASN  81  -7.315   6.277   6.277
  530    H    GLU  82           HN       GLU  82  -7.518   8.275   8.275
  531    HA   GLU  82           HA       GLU  82  -8.469   9.614   9.614
  532   1HB   GLU  82          2HB       GLU  82  -9.743   9.272   9.272
  533   2HB   GLU  82          3HB       GLU  82  -9.968   7.572   7.572
  534   1HG   GLU  82          2HG       GLU  82 -11.514   7.996   7.996
  535   2HG   GLU  82          3HG       GLU  82 -10.914   9.619   9.619
  536    H    ASN  83           HN       ASN  83  -9.083   6.036   6.036
  537    HA   ASN  83           HA       ASN  83  -8.497   5.654   5.654
  538   1HB   ASN  83          2HB       ASN  83 -10.949   4.554   4.554
  539   2HB   ASN  83          3HB       ASN  83 -10.663   6.236   6.236
  540   1HD2  ASN  83          2HD2      ASN  83 -11.861   5.938   5.938
  541   2HD2  ASN  83          1HD2      ASN  83 -10.382   5.268   5.268
  542    H    ASN  84           HN       ASN  84 -10.947   4.082   4.082
  543    HA   ASN  84           HA       ASN  84  -9.509   1.622   1.622
  544   1HB   ASN  84          2HB       ASN  84 -11.464   0.606   0.606
  545   2HB   ASN  84          3HB       ASN  84 -12.104   1.953   1.953
  546   1HD2  ASN  84          2HD2      ASN  84 -13.133   3.905   3.905
  547   2HD2  ASN  84          1HD2      ASN  84 -12.644   3.913   3.913
  548    H    GLN  85           HN       GLN  85  -8.429   4.055   4.055
  549    HA   GLN  85           HA       GLN  85  -8.630   3.253   3.253
  550   1HB   GLN  85          2HB       GLN  85  -6.582   5.192   5.192
  551   2HB   GLN  85          3HB       GLN  85  -8.232   5.459   5.459
  552   1HG   GLN  85          2HG       GLN  85  -7.510   6.885   6.885
  553   2HG   GLN  85          3HG       GLN  85  -8.979   5.967   5.967
  554   1HE2  GLN  85          2HE2      GLN  85  -7.445   3.504   3.504
  555   2HE2  GLN  85          1HE2      GLN  85  -8.534   3.645   3.645
  556    H    LEU  86           HN       LEU  86  -7.484   1.316   1.316
  557    HA   LEU  86           HA       LEU  86  -4.927   1.023   1.023
  558   1HB   LEU  86          2HB       LEU  86  -5.712  -0.989  -0.989
  559   2HB   LEU  86          3HB       LEU  86  -7.092  -0.742  -0.742
  560    HG   LEU  86           HG       LEU  86  -5.040  -1.262  -1.262
  561   1HD1  LEU  86          1HD1      LEU  86  -3.892  -1.991  -1.991
  562   2HD1  LEU  86          2HD1      LEU  86  -4.722  -3.509  -3.509
  563   3HD1  LEU  86          3HD1      LEU  86  -3.560  -2.783  -2.783
  564   1HD2  LEU  86          1HD2      LEU  86  -7.241  -2.941  -2.941
  565   2HD2  LEU  86          2HD2      LEU  86  -7.154  -2.154  -2.154
  566   3HD2  LEU  86          3HD2      LEU  86  -6.153  -3.585  -3.585
  567    H    ALA  87           HN       ALA  87  -3.133   1.633   1.633
  568    HA   ALA  87           HA       ALA  87  -3.202   2.112   2.112
  569   1HB   ALA  87          3HB       ALA  87  -1.529   2.682   2.682
  570   2HB   ALA  87          1HB       ALA  87  -0.522   1.964   1.964
  571   3HB   ALA  87          2HB       ALA  87  -1.493   3.417   3.417
  572    H    GLY  88           HN       GLY  88  -2.027  -0.526  -0.526
  573   1HA   GLY  88          1HA       GLY  88  -2.303  -2.550  -2.550
  574   2HA   GLY  88          2HA       GLY  88  -0.678  -1.943  -1.943
  575    H    VAL  89           HN       VAL  89   0.628  -3.498  -3.498
  576    HA   VAL  89           HA       VAL  89   0.401  -3.790  -3.790
  577    HB   VAL  89           HB       VAL  89   0.286  -6.114  -6.114
  578   1HG1  VAL  89          1HG1      VAL  89   1.627  -6.046  -6.046
  579   2HG1  VAL  89          2HG1      VAL  89   0.049  -6.772  -6.772
  580   3HG1  VAL  89          3HG1      VAL  89   1.077  -7.497  -7.497
  581   1HG2  VAL  89          3HG2      VAL  89  -1.680  -4.828  -4.828
  582   2HG2  VAL  89          1HG2      VAL  89  -1.915  -5.466  -5.466
  583   3HG2  VAL  89          2HG2      VAL  89  -1.763  -6.586  -6.586
  584    H    ILE  90           HN       ILE  90   2.337  -2.591  -2.591
  585    HA   ILE  90           HA       ILE  90   4.608  -3.515  -3.515
  586    HB   ILE  90           HB       ILE  90   5.749  -1.614  -1.614
  587   1HG1  ILE  90          2HG1      ILE  90   3.399  -1.534  -1.534
  588   2HG1  ILE  90          3HG1      ILE  90   5.111  -1.415  -1.415
  589   1HG2  ILE  90          1HG2      ILE  90   3.853  -1.495  -1.495
  590   2HG2  ILE  90          2HG2      ILE  90   3.085  -0.441  -0.441
  591   3HG2  ILE  90          3HG2      ILE  90   4.702  -0.044  -0.044
  592   1HD1  ILE  90          3HD1      ILE  90   4.063   0.738   0.738
  593   2HD1  ILE  90          1HD1      ILE  90   3.419   0.739   0.739
  594   3HD1  ILE  90          2HD1      ILE  90   5.175   0.846   0.846
  595    H    THR  91           HN       THR  91   6.741  -3.864  -3.864
  596    HA   THR  91           HA       THR  91   6.469  -4.856  -4.856
  597    HB   THR  91           HB       THR  91   5.727  -6.900  -6.900
  598    HG1  THR  91           HG1      THR  91   7.929  -8.063  -8.063
  599   1HG2  THR  91          1HG2      THR  91   7.581  -6.462  -6.462
  600   2HG2  THR  91          2HG2      THR  91   6.462  -7.828  -7.828
  601   3HG2  THR  91          3HG2      THR  91   5.823  -6.186  -6.186
  602    H    HIS  92           HN       HIS  92   8.466  -5.123  -5.123
  603    HA   HIS  92           HA       HIS  92  10.499  -3.503  -3.503
  604   1HB   HIS  92          2HB       HIS  92  10.236  -5.180  -5.180
  605   2HB   HIS  92          3HB       HIS  92  11.754  -4.409  -4.409
  606    HD1  HIS  92           HD1      HIS  92  11.788  -2.651  -2.651
  607    HD2  HIS  92           HD2      HIS  92   8.264  -2.580  -2.580
  608    HE1  HIS  92           HE1      HIS  92  10.524  -0.550  -0.550
  609    HE2  HIS  92           HE2      HIS  92   8.395  -0.532  -0.532
  610    H    THR  93           HN       THR  93   9.559  -6.348  -6.348
  611    HA   THR  93           HA       THR  93  11.605  -8.149  -8.149
  612    HB   THR  93           HB       THR  93   9.512  -7.331  -7.331
  613    HG1  THR  93           HG1      THR  93   9.168  -9.733  -9.733
  614   1HG2  THR  93          1HG2      THR  93  11.982  -8.926  -8.926
  615   2HG2  THR  93          2HG2      THR  93  10.439  -9.688  -9.688
  616   3HG2  THR  93          3HG2      THR  93  10.876  -8.097  -8.097
  617    H    GLY  94           HN       GLY  94  13.476  -6.659  -6.659
  618   1HA   GLY  94          1HA       GLY  94  15.475  -5.930  -5.930
  619   2HA   GLY  94          2HA       GLY  94  15.117  -6.626  -6.626
  620    H    ALA  95           HN       ALA  95  13.017  -5.274  -5.274
  621    HA   ALA  95           HA       ALA  95  12.742  -3.442  -3.442
  622   1HB   ALA  95          3HB       ALA  95  11.621  -3.154  -3.154
  623   2HB   ALA  95          1HB       ALA  95  12.805  -1.834  -1.834
  624   3HB   ALA  95          2HB       ALA  95  11.619  -1.815  -1.815
  625    H    SER  96           HN       SER  96  15.622  -4.181  -4.181
  626    HA   SER  96           HA       SER  96  17.585  -3.413  -3.413
  627   1HB   SER  96          2HB       SER  96  16.282  -2.150  -2.150
  628   2HB   SER  96          3HB       SER  96  16.356  -0.741  -0.741
  629    HG   SER  96           HG       SER  96  18.515  -2.144  -2.144
  630    H    GLY  97           HN       GLY  97  16.018  -2.795  -2.795
  631   1HA   GLY  97          1HA       GLY  97  17.849  -1.976  -1.976
  632   2HA   GLY  97          2HA       GLY  97  17.446  -0.432  -0.432
  633    H    ASN  98           HN       ASN  98  16.124   0.696   0.696
  634    HA   ASN  98           HA       ASN  98  14.235  -0.817  -0.817
  635   1HB   ASN  98          2HB       ASN  98  15.513   0.850   0.850
  636   2HB   ASN  98          3HB       ASN  98  15.180   2.089   2.089
  637   1HD2  ASN  98          2HD2      ASN  98  11.785   0.802   0.802
  638   2HD2  ASN  98          1HD2      ASN  98  12.837  -0.279  -0.279
  639    H    ASN  99           HN       ASN  99  14.271   0.230   0.230
  640    HA   ASN  99           HA       ASN  99  12.155   2.014   2.014
  641   1HB   ASN  99          2HB       ASN  99  12.784  -0.064  -0.064
  642   2HB   ASN  99          3HB       ASN  99  12.266   1.595   1.595
  643   1HD2  ASN  99          2HD2      ASN  99  16.206   0.603   0.603
  644   2HD2  ASN  99          1HD2      ASN  99  14.904  -0.515  -0.515
  645    H    PHE 100           HN       PHE 100  10.504   0.623   0.623
  646    HA   PHE 100           HA       PHE 100   9.363  -1.607  -1.607
  647   1HB   PHE 100          2HB       PHE 100   8.070   1.040   1.040
  648   2HB   PHE 100          3HB       PHE 100   7.081  -0.390  -0.390
  649    HD1  PHE 100           HD2      PHE 100   7.359  -1.606  -1.606
  650    HD2  PHE 100           HD1      PHE 100   8.451   2.432   2.432
  651    HE1  PHE 100           HE2      PHE 100   7.213  -1.129  -1.129
  652    HE2  PHE 100           HE1      PHE 100   8.304   2.909   2.909
  653    HZ   PHE 100           HZ       PHE 100   7.686   1.123   1.123
  654    H    VAL 101           HN       VAL 101   7.608  -2.729  -2.729
  655    HA   VAL 101           HA       VAL 101   7.580  -2.197  -2.197
  656    HB   VAL 101           HB       VAL 101   8.626  -4.358  -4.358
  657   1HG1  VAL 101          1HG1      VAL 101   9.769  -2.051  -2.051
  658   2HG1  VAL 101          2HG1      VAL 101  10.651  -2.638  -2.638
  659   3HG1  VAL 101          3HG1      VAL 101  10.808  -3.490  -3.490
  660   1HG2  VAL 101          2HG2      VAL 101   9.346  -4.408  -4.408
  661   2HG2  VAL 101          3HG2      VAL 101   8.619  -5.689  -5.689
  662   3HG2  VAL 101          1HG2      VAL 101  10.331  -5.253  -5.253
  663    H    GLU 102           HN       GLU 102   5.742  -3.088  -3.088
  664    HA   GLU 102           HA       GLU 102   3.802  -4.014  -4.014
  665   1HB   GLU 102          2HB       GLU 102   3.632  -4.873  -4.873
  666   2HB   GLU 102          3HB       GLU 102   2.448  -4.038  -4.038
  667   1HG   GLU 102          2HG       GLU 102   4.203  -2.038  -2.038
  668   2HG   GLU 102          3HG       GLU 102   4.821  -2.887  -2.887
  669    H    CYS 103           HN       CYS 103   3.332  -5.985  -5.985
  670    HA   CYS 103           HA       CYS 103   5.116  -8.069  -8.069
  671   1HB   CYS 103          2HB       CYS 103   2.175  -8.190  -8.190
  672   2HB   CYS 103          3HB       CYS 103   3.370  -9.413  -9.413
  673    H    THR 104           HN       THR 104   3.524 -10.416 -10.416
  674    HA   THR 104           HA       THR 104   3.194 -10.192 -10.192
  675    HB   THR 104           HB       THR 104   3.909 -12.554 -12.554
  676    HG1  THR 104           HG1      THR 104   4.227 -12.212 -12.212
  677   1HG2  THR 104          2HG2      THR 104   5.625 -10.871 -10.871
  678   2HG2  THR 104          3HG2      THR 104   6.147 -12.414 -12.414
  679   3HG2  THR 104          1HG2      THR 104   5.830 -11.008 -11.008