*HEADER    UNKNOWN FUNCTION                        04-FEB-03   1NVO              
*TITLE     SOLUTION STRUCTURE OF A FOUR-HELIX BUNDLE MODEL, APO-DF1              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HOMODIMERIC ALPHA2 FOUR-HELIX BUNDLE;                      
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    DE NOVO PROTEIN DESIGN, ALPHA-HELICAL BUNDLE, DIIRON                  
*KEYWDS   2 PROTEIN MODEL                                                        
*EXPDTA    NMR, 14 STRUCTURES                                                    
*AUTHOR    O.MAGLIO, F.NASTRI, V.PAVONE, A.LOMBARDI, W.F.DEGRADO                 
*REVDAT   1   25-MAR-03 1NVO    0                                                

  1 ASP- HN      1 ASP- HB2     3.30                
  1 ASP- HN      1 ASP- HB3     3.30                
  1 ASP- HN      1 ASP- QB      3.09                
  1 ASP- HN      2 TYR  HN      3.27                
  1 ASP- HA      2 TYR  HN      3.58                
  1 ASP- HA      4 ARG+ HN      4.29                
  1 ASP- HB2     2 TYR  HN      3.95                
  1 ASP- HB3     2 TYR  HN      3.95                
  2 TYR  HN      2 TYR  HB2     3.36                
  2 TYR  HN      2 TYR  HB3     3.36                
  2 TYR  HN      2 TYR  QE      7.63                
  2 TYR  HN      3 LEU  HN      3.39                
  2 TYR  HA      3 LEU  HN      3.57                
  2 TYR  HB2     3 LEU  HN      3.76                
  2 TYR  HB3     3 LEU  HN      3.76                
  2 TYR  QD      3 LEU  HN      7.64                
  2 TYR  QD      3 LEU  QQD     9.77                
  2 TYR  QD      6 LEU  HG      7.52                
  2 TYR  QE      3 LEU  QQD     9.76                
  3 LEU  HN      3 LEU  HA      2.83                
  3 LEU  HN      3 LEU  HG      3.27                
  3 LEU  HN      3 LEU  QQD     7.38                
  3 LEU  HA      3 LEU  HG      3.36                
  3 LEU  HA      5 GLU- HN      3.45                
  3 LEU  HA      6 LEU  QB      4.92                
  3 LEU  QB      4 ARG+ HN      4.42                
  3 LEU  QQD    46 ILE  QG2     7.61                
  3 LEU  QQD    46 ILE  QG1     6.99                
  3 LEU  QQD    46 ILE  QD1     7.36                
  4 ARG+ HN      4 ARG+ QB      3.90                
  4 ARG+ HN      4 ARG+ HG2     3.92                
  4 ARG+ HN      4 ARG+ HG3     3.92                
  4 ARG+ HN      4 ARG+ QG      3.23                
  4 ARG+ HN      4 ARG+ QD      6.38                
  4 ARG+ HN      4 ARG+ HE      5.31                
  4 ARG+ HN      5 GLU- HN      2.77                
  4 ARG+ HA      4 ARG+ HG2     4.11                
  4 ARG+ HA      4 ARG+ HG3     4.11                
  4 ARG+ HA      4 ARG+ QG      3.84                
  4 ARG+ HA      5 GLU- HN      3.64                
  5 GLU- HN      5 GLU- QG      6.38
  5 GLU- QB      6 LEU  QQD     5.38                
  5 GLU- HA      9 LEU  HN      3.76                
  6 LEU  HN      6 LEU  HG      3.79                
  6 LEU  HN      6 LEU  QQD     6.86                
  6 LEU  HN      7 LEU  HN      2.80                
  6 LEU  HA      6 LEU  HG      2.77                
  6 LEU  HG     43 LEU  QQD     5.56                
  7 LEU  HN      7 LEU  HA      2.74                
  7 LEU  HN      8 LYS+ HN      2.96                
  7 LEU  HN      9 LEU  HN      3.48                
  7 LEU  HN     43 LEU  QQD     6.61                
  7 LEU  HA      8 LYS+ HN      3.63 
  7 LEU  HA     10 GLU- QB      3.53
  7 LEU  HA     10 GLU- HN      3.70           
  8 LYS+ HN      8 LYS+ HA      2.68                
  8 LYS+ HN      8 LYS+ QB      3.90                
  8 LYS+ HN      8 LYS+ QG      6.38                
  8 LYS+ HN      8 LYS+ QD      5.76                
  8 LYS+ HN      9 LEU  HN      3.08                
  8 LYS+ HN     10 GLU- HN      3.89                
  8 LYS+ HA      8 LYS+ QD      4.95                
  8 LYS+ HA      9 LEU  HN      3.61                
  8 LYS+ HA     11 LEU  HN      3.36                
  9 LEU  HN      9 LEU  HG      2.83                
  9 LEU  HN      9 LEU  QQD     6.45                
  9 LEU  HN     10 GLU- HN      3.24                
  9 LEU  HN     11 LEU  HN      4.11                
  9 LEU  HA      9 LEU  HG      3.21                
  9 LEU  HA     12 GLN  HN      3.67                
  9 LEU  QQD    10 GLU- HN      7.07                
 10 GLU- HN     10 GLU- HB3     3.52                
 10 GLU- HN     10 GLU- HB2     2.72
 10 GLU- HA     10 GLU- HB3     2.92                
 10 GLU- HA     10 GLU- HB2     3.42               
 10 GLU- HN     10 GLU- QG      4.07                
 10 GLU- HN     9  LEU  QB      4.07                
 10 GLU- HN     11 LEU  HN      3.30                
 10 GLU- HA     13 LEU  HN      3.89                
 10 GLU- HA     13 LEU  HB2     3.58                
 10 GLU- HA     13 LEU  HG      2.68                 
 10 GLU- HA     40 ILE  QG2     4.98                
 10 GLU- HB2    11 LEU  HN      4.17                
 10 GLU- HB3    11 LEU  HN      4.17                
 10 GLU- QB     11 LEU  HN      3.77                
 10 GLU- QB     40 ILE  QG2     5.30              
 10 GLU- HB3    40 ILE  QG1     2.78                
 10 GLU- QG     40 ILE  QG1     3.70
 10 GLU- QG     43 LEU  QQD     4.90              
 10 GLU- QG     11 LEU  HN      5.26                
 11 LEU  HN     12 GLN  HN      3.11                
 11 LEU  HA     14 ILE  HN      3.70                
 11 LEU  HA     14 ILE  HB      2.90                
 12 GLN  HN     12 GLN  HG2     4.35                
 12 GLN  HN     12 GLN  HG3     4.35                
 12 GLN  HN     13 LEU  HN      3.11                
 12 GLN  HA     12 GLN  HG2     3.92                
 12 GLN  HA     12 GLN  HG3     3.92                
 12 GLN  HA     15 LYS+ HN      3.55                
 13 LEU  HN     13 LEU  HB2     3.30                
 13 LEU  HN     13 LEU  HB3     3.60                
 13 LEU  HN     13 LEU  HG      3.58                
 13 LEU  HN     13 LEU  QQD     7.42                
 13 LEU  HN     14 ILE  HN      3.39                
 13 LEU  HN     15 LYS+ HN      4.35                
 13 LEU  HN     16 GLN  HN      4.20                
 13 LEU  HA     13 LEU  HG      3.73                
 13 LEU  HA     16 GLN  QB      4.52                
 13 LEU  HA     17 TYR  QD      7.64                
 13 LEU  QB     14 ILE  HN      4.52                
 13 LEU  QB     17 TYR  QE      8.51                
 13 LEU  HG     14 ILE  HN      4.32                
 13 LEU  QQD    17 TYR  QD      9.71                
 14 ILE  HN     14 ILE  HB      3.02                
 14 ILE  HN     14 ILE  QG2     4.48                
 14 ILE  HN     14 ILE  QG1     6.00                
 14 ILE  HN     14 ILE  QD1     4.92                
 14 ILE  HN     15 LYS+ HN      3.27                
 14 ILE  HA     14 ILE  HB      3.34                
 14 ILE  HA     14 ILE  QD1     3.83                
 14 ILE  HA     17 TYR  HN      3.45                
 14 ILE  HA     17 TYR  HB2     3.58                
 14 ILE  HA     17 TYR  HB3     3.58                
 14 ILE  HA     17 TYR  QB      3.41                
 14 ILE  HA     17 TYR  QD      6.15                
 14 ILE  HA     17 TYR  QE      7.54                
 14 ILE  QG2    15 LYS+ HN      4.95                
 14 ILE  QG2    37 GLU- QB      5.05                
 14 ILE  QG2    37 GLU- QG      5.64                
 14 ILE  QG1    37 GLU- QB      7.25                
 14 ILE  QD1    15 LYS+ HN      5.29                
 14 ILE  QD1    36 GLU- HN      5.97                
 15 LYS+ HN     15 LYS+ HB2     2.99                
 15 LYS+ HN     15 LYS+ HB3     2.99                
 15 LYS+ HN     15 LYS+ QB      2.79                
 15 LYS+ HN     15 LYS+ QG      6.38                
 15 LYS+ HN     15 LYS+ QD      4.33                
 15 LYS+ HN     16 GLN  HN      3.08                
 15 LYS+ HN     17 TYR  HN      4.01                
 15 LYS+ HN     33 LEU  QQD     6.86                
 15 LYS+ HA     18 ARG+ HN      3.61                
 15 LYS+ HA     18 ARG+ QB      4.02                
 16 GLN  HN     16 GLN  HG2     4.63                
 16 GLN  HN     16 GLN  HG3     4.63                
 16 GLN  HN     16 GLN  QG      4.26                
 16 GLN  HN     17 TYR  HN      3.24                
 16 GLN  HN     18 ARG+ HN      4.01                
 16 GLN  HA     19 GLU- HN      3.39                
 16 GLN  HA     19 GLU- HB2     3.08                
 16 GLN  HA     19 GLU- HB3     3.08                
 16 GLN  HA     19 GLU- QB      2.86                
 17 TYR  HN     17 TYR  HB2     3.48                
 17 TYR  HN     17 TYR  HB3     3.48                
 17 TYR  HN     17 TYR  QB      3.31                
 17 TYR  HN     17 TYR  QE      7.63                
 17 TYR  HN     18 ARG+ HN      3.21                
 17 TYR  HN     19 GLU- HN      4.23                
 17 TYR  HN     33 LEU  QQD     6.92                
 17 TYR  HA     18 ARG+ HN      3.61                
 17 TYR  HA     20 ALA  HN      3.27                
 17 TYR  HA     20 ALA  QB      4.20                
 17 TYR  HB2    18 ARG+ HN      3.70                
 17 TYR  HB3    18 ARG+ HN      3.70                
 17 TYR  QB     33 LEU  QQD     7.55                
 17 TYR  QD     18 ARG+ HN      7.64                
 17 TYR  QD     20 ALA  QB      7.33                
 17 TYR  QD     29 LEU  QB      8.52                
 17 TYR  QD     32 ILE  QG2     8.67                
 17 TYR  QD     33 LEU  QQD     8.59                
 17 TYR  QE     20 ALA  QB      8.66                
 17 TYR  QE     29 LEU  QQD     8.52                
 17 TYR  QE     32 ILE  QG2     7.64
 17 TYR  QD     36 GLU- HG3     5.39
 17 TYR  QE     36 GLU- HG3     4.39
 18 ARG+ HN     18 ARG+ HG2     4.20                
 18 ARG+ HN     18 ARG+ HG3     4.20                
 18 ARG+ HN     18 ARG+ QG      3.60                
 18 ARG+ HN     18 ARG+ QD      6.38                
 18 ARG+ HN     19 GLU- HN      3.08                
 18 ARG+ HN     20 ALA  HN      3.70                
 18 ARG+ HA     18 ARG+ HG2     3.08                
 18 ARG+ HA     18 ARG+ HG3     3.08                
 18 ARG+ HA     18 ARG+ QG      2.89                
 18 ARG+ HA     18 ARG+ QD      5.76                
 18 ARG+ HA     19 GLU- HN      3.42                
 18 ARG+ HA     21 LEU  HN      3.39                
 18 ARG+ HA     33 LEU  QQD     5.46                
 18 ARG+ QB     18 ARG+ HE      6.38                
 18 ARG+ QG     19 GLU- HN      4.98                
 18 ARG+ QD     33 LEU  QD1     7.40                
 18 ARG+ QD     33 LEU  QD2     7.40                
 18 ARG+ QD     33 LEU  QQD     7.03                
 18 ARG+ HE     33 LEU  QQD     6.49                
 19 GLU- HN     19 GLU- HB2     3.14                
 19 GLU- HN     19 GLU- HB3     3.14                
 19 GLU- HN     19 GLU- QB      2.94                
 19 GLU- HN     19 GLU- HG2     4.85                
 19 GLU- HN     19 GLU- HG3     4.85                
 19 GLU- HN     19 GLU- QG      4.35                
 19 GLU- HN     20 ALA  HN      3.05                
 19 GLU- HN     20 ALA  QB      5.78                
 19 GLU- HA     19 GLU- HB2     2.99                
 19 GLU- HA     19 GLU- HB3     2.99                
 19 GLU- HA     19 GLU- HG2     4.07                
 19 GLU- HA     19 GLU- HG3     4.07                
 19 GLU- HA     19 GLU- QG      3.88                
 19 GLU- HA     20 ALA  HN      3.60                
 19 GLU- QB     20 ALA  HN      4.02                
 19 GLU- HG2    20 ALA  HN      5.50                
 19 GLU- HG3    20 ALA  HN      5.50                
 19 GLU- QG     23 TYR  QE      8.51                
 20 ALA  HN     20 ALA  QB      3.64                
 20 ALA  HA     23 TYR  HN      3.83                
 20 ALA  HA     23 TYR  HB2     4.01                
 20 ALA  HA     23 TYR  HB3     4.01                
 20 ALA  HA     23 TYR  QD      7.14                
 20 ALA  HA     24 VAL  HN      4.11                
 21 LEU  HN     22 GLU- HN      3.14                
 22 GLU- HN     22 GLU- HA      2.87                
 22 GLU- HN     22 GLU- HB2     3.92                
 22 GLU- HN     22 GLU- HB3     3.92                
 22 GLU- HN     22 GLU- QB      3.28                
 22 GLU- HN     22 GLU- HG2     3.83                
 22 GLU- HN     22 GLU- HG3     3.83                
 22 GLU- HN     22 GLU- QG      3.33                
 22 GLU- HN     24 VAL  HN      3.79                
 22 GLU- HA     22 GLU- HG2     4.11                
 22 GLU- HA     22 GLU- HG3     4.11                
 22 GLU- HA     22 GLU- QG      3.55                
 22 GLU- HA     23 TYR  HN      3.64                
 23 TYR  HN     23 TYR  HB2     3.39                
 23 TYR  HN     23 TYR  HB3     3.39                
 23 TYR  HN     23 TYR  QE      7.63                
 23 TYR  HN     24 VAL  HN      2.96                
 23 TYR  HN     24 VAL  QQG     7.62                
 23 TYR  HB2    24 VAL  HN      3.83                
 23 TYR  HB3    24 VAL  HN      3.83                
 23 TYR  QB     24 VAL  HN      3.58                
 23 TYR  QD     24 VAL  HN      7.64                
 24 VAL  HN     24 VAL  HB      3.30                
 24 VAL  HN     25 LYS+ HN      2.87                
 24 VAL  HA     25 LYS+ HN      3.68                
 24 VAL  HB     25 LYS+ HN      3.38
 24 VAL  QG1    26 LEU  QQD     5.98               
 25 LYS+ HN     25 LYS+ HG2     4.23                
 25 LYS+ HN     25 LYS+ HG3     4.23                
 25 LYS+ HN     25 LYS+ QG      3.92                
 25 LYS+ HN     25 LYS+ QD      5.48
 25 LYS+ HN     26 LEU  HN      3.55      
 25 LYS+ HA     25 LYS+ HG2     4.14                
 25 LYS+ HA     25 LYS+ HG3     4.14                
 25 LYS+ HA     25 LYS+ QG      3.90
 25 LYS+ HA     26 LEU  HN      3.02
 25 LYS+ QB     26 LEU  HN      5.11
 26 LEU  HN     26 LEU  QQD     5.83             
 27 PRO  HA     30 ALA  HN      3.73                
 27 PRO  HA     30 ALA  QB      4.48                
 27 PRO  QG     28 VAL  HN      5.26                
 28 VAL  HN     28 VAL  HB      2.65                
 28 VAL  HN     28 VAL  QG1     4.67                
 28 VAL  HN     28 VAL  QG2     4.67                
 28 VAL  HN     28 VAL  QQG     4.30               
 28 VAL  HN     26 LEU  QQD     4.60               
 28 VAL  HN     29 LEU  HN      3.33                
 28 VAL  HA     28 VAL  HB      2.90                
 28 VAL  HA     29 LEU  HN      3.61                
 28 VAL  HA     31 LYS+ HN      3.36                
 28 VAL  HA     31 LYS+ QB      4.11                
 28 VAL  HB     29 LEU  HN      3.39                
 28 VAL  QG1    29 LEU  HN      5.91                
 28 VAL  QG2    29 LEU  HN      5.91                
 28 VAL  QQG    29 LEU  HN      5.26                
 29 LEU  HN     29 LEU  HB2     3.30                
 29 LEU  HN     29 LEU  HB3     3.30                
 29 LEU  HN     29 LEU  QB      3.10                
 29 LEU  HN     29 LEU  HG      3.79                
 29 LEU  HN     29 LEU  QQD     6.92                
 29 LEU  HN     26 LEU  QQD     5.92                
 29 LEU  HN     30 ALA  HN      3.08                
 29 LEU  HN     31 LYS+ HN      3.79                
 29 LEU  HA     29 LEU  HG      3.73                
 29 LEU  HA     32 ILE  HB      3.42                
 29 LEU  HA     33 LEU  HN      3.86                
 29 LEU  QB     30 ALA  HN      4.76                
 29 LEU  QQD    30 ALA  HN      7.51                
 30 ALA  HN     31 LYS+ HN      3.05               
 30 ALA  HN     21 LEU  QQD     3.45                
 30 ALA  HA     33 LEU  HN      3.36                
 30 ALA  HA     33 LEU  QB      3.77                
 30 ALA  HA     33 LEU  QD1     4.11                
 30 ALA  HA     33 LEU  QD2     4.11                
 30 ALA  HA     33 LEU  QQD     3.62                
 30 ALA  QB     31 LYS+ HN      4.17                
 31 LYS+ HN     31 LYS+ QG      6.38                
 31 LYS+ HN     31 LYS+ QD      6.38                
 31 LYS+ HN     32 ILE  HN      3.17                
 31 LYS+ HN     33 LEU  HN      4.04                
 31 LYS+ HA     31 LYS+ QD      4.92                
 31 LYS+ HA     32 ILE  HN      3.45                
 31 LYS+ HA     34 GLU- HB2     3.05                
 31 LYS+ HA     34 GLU- HB3     3.05                
 31 LYS+ HA     34 GLU- QB      2.76                
 31 LYS+ QB     32 ILE  HA      5.32                
 32 ILE  HN     32 ILE  HB      3.17                
 32 ILE  HN     32 ILE  QG1     5.11                
 32 ILE  HN     32 ILE  QD1     5.38                
 32 ILE  HN     33 LEU  HN      2.77                
 32 ILE  HN     33 LEU  QQD     6.05                
 32 ILE  HA     35 ASP- QB      4.45                
 32 ILE  HB     33 LEU  HN      3.36                
 32 ILE  QG2    33 LEU  HN      5.69                
 33 LEU  HN     33 LEU  HG      3.21                
 33 LEU  HN     33 LEU  QD1     5.13                
 33 LEU  HN     33 LEU  QD2     5.13                
 33 LEU  HN     33 LEU  QQD     4.81                
 33 LEU  HN     34 GLU- HN      3.36                
 33 LEU  HA     33 LEU  HG      3.86                
 33 LEU  HA     33 LEU  QD1     4.64                
 33 LEU  HA     33 LEU  QD2     4.94                
 33 LEU  HA     33 LEU  QQD     4.14                
 33 LEU  HA     36 GLU- HN      3.70                
 33 LEU  HA     36 GLU- HG3     3.56                
 33 LEU  HA     36 GLU- QB      3.72                
 33 LEU  QD1    34 GLU- HN      5.97                
 33 LEU  QD2    34 GLU- HN      5.97                
 33 LEU  QQD    34 GLU- HN      5.54                
 33 LEU  QQD    34 GLU- QG      7.14                
 34 GLU- HN     34 GLU- HB2     3.17                
 34 GLU- HN     34 GLU- HB3     3.17                
 34 GLU- HN     34 GLU- HG2     4.76                
 34 GLU- HN     34 GLU- HG3     4.76                
 34 GLU- HN     34 GLU- QG      4.31                
 34 GLU- HN     35 ASP- HN      3.14                
 34 GLU- HA     34 GLU- HB2     3.02                
 34 GLU- HA     34 GLU- HB3     3.02                
 34 GLU- HA     34 GLU- QB      2.70                
 34 GLU- HA     34 GLU- HG2     3.83                
 34 GLU- HA     34 GLU- HG3     3.83                
 34 GLU- HA     34 GLU- QG      3.45                
 34 GLU- HA     35 ASP- HN      3.61                
 34 GLU- HA     37 GLU- HN      3.39                
 34 GLU- HA     37 GLU- HB2     2.96                
 34 GLU- HA     37 GLU- HB3     3.36                
 34 GLU- HA     37 GLU- QB      2.67                
 34 GLU- HB2    35 ASP- HN      3.48                
 34 GLU- HB3    35 ASP- HN      3.48                
 35 ASP- HN     35 ASP- HB2     3.36                
 35 ASP- HN     35 ASP- HB3     3.36                
 35 ASP- HN     35 ASP- QB      3.18                
 35 ASP- HN     36 GLU- HN      3.33                
 35 ASP- HA     38 LYS+ HN      3.79                
 35 ASP- HA     38 LYS+ QB      4.58                
 36 GLU- HN     36 GLU- HG3     3.52                
 36 GLU- HN     36 GLU- QB      3.52               
 36 GLU- HN     36 GLU- HG2     4.57                
 36 GLU- HN     37 GLU- HN      3.11                
 36 GLU- HA     39 HIS+ HN      3.52                
 36 GLU- HA     39 HIS+ QB      4.76                 
 36 GLU- HG2    32 ILE  QG2     4.86            
 37 GLU- HN     37 GLU- HB2     3.11                
 37 GLU- HN     37 GLU- HB3     3.11                
 37 GLU- HN     37 GLU- HG2     3.76                
 37 GLU- HN     37 GLU- HG3     3.96                
 37 GLU- HN     38 LYS+ HN      3.17                
 37 GLU- HN     38 LYS+ QB      5.07                
 37 GLU- HA     37 GLU- HG2     4.04                
 37 GLU- HA     37 GLU- HG3     4.04                
 37 GLU- HA     37 GLU- QG      3.73                
 37 GLU- HA     40 ILE  HN      3.64                
 37 GLU- HA     40 ILE  HB      2.77                
 37 GLU- HA     40 ILE  QG1     5.94                
 37 GLU- QB     38 LYS+ HN      4.49                
 38 LYS+ HN     38 LYS+ QG      5.66                
 38 LYS+ HN     38 LYS+ QD      5.48                
 38 LYS+ HN     39 HIS+ HN      3.11                
 38 LYS+ HA     41 GLU- HN      3.39                
 38 LYS+ HA     41 GLU- HB2     2.80                
 38 LYS+ HA     41 GLU- HB3     2.80                
 38 LYS+ HA     42 TRP  HN      4.20                
 38 LYS+ QB     39 HIS+ HN      4.52                
 38 LYS+ QG     39 HIS+ HN      6.22
 39 HIS+ HN     39 HIS+ HB2     3.70
 39 HIS+ HN     39 HIS+ HB3     3.70                
 39 HIS+ HN     40 ILE  HN      3.36                
 40 ILE  HN     40 ILE  HB      3.05                
 40 ILE  HN     40 ILE  QG2     4.57                
 40 ILE  HN     40 ILE  QG1     5.54                
 40 ILE  HN     40 ILE  QD1     4.92                
 40 ILE  HN     41 GLU- HN      3.36                
 40 ILE  HN     42 TRP  HN      4.01                
 40 ILE  HA     40 ILE  QD1     4.70                
 40 ILE  HA     43 LEU  QB      4.21                
 40 ILE  QG2    41 GLU- HN      4.79                
 41 GLU- HN     41 GLU- HB2     2.90                
 41 GLU- HN     41 GLU- HB3     2.90                
 41 GLU- HN     41 GLU- HG2     4.63                
 41 GLU- HN     41 GLU- HG3     4.63                
 41 GLU- HN     41 GLU- QG      4.26                
 41 GLU- HN     42 TRP  HN      3.24                
 41 GLU- HA     41 GLU- QB      2.73                
 41 GLU- HA     41 GLU- HG2     4.17                
 41 GLU- HA     41 GLU- HG3     4.17                
 41 GLU- HA     41 GLU- QG      3.87                
 41 GLU- HA     43 LEU  HN      4.11                
 41 GLU- HA     44 GLU- HN      3.67                
 41 GLU- HA     44 GLU- QB      3.96                
 41 GLU- QB     42 TRP  HN      4.05                
 42 TRP  HN     42 TRP  HB2     3.42                
 42 TRP  HN     42 TRP  HB3     3.42                
 42 TRP  HN     42 TRP  HD1     4.23                
 42 TRP  HN     42 TRP  HE3     4.97                
 42 TRP  HN     43 LEU  HN      3.33                
 42 TRP  HA     42 TRP  HD1     3.55                
 42 TRP  HA     43 LEU  HN      3.58                
 42 TRP  HB2    43 LEU  HN      3.64                
 42 TRP  HB3    43 LEU  HN      3.64                
 42 TRP  HD1    45 THR  QG2     5.88                
 42 TRP  HE3    43 LEU  HN      4.29                
 42 TRP  HE3    43 LEU  HA      4.72                
 42 TRP  HE3    43 LEU  QQD     6.76
 42 TRP  HE3    43 LEU  HG      3.06              
 43 LEU  HN     43 LEU  HG      3.14                
 43 LEU  HN     43 LEU  QQD     6.52                
 43 LEU  HN     44 GLU- HN      3.30                
 43 LEU  HN     45 THR  HN      4.11                
 43 LEU  HA     43 LEU  HG      3.24                
 43 LEU  HA     44 GLU- HN      3.58                
 43 LEU  HA     46 ILE  HN      4.01                
 43 LEU  HA     46 ILE  HB      3.24                
 43 LEU  QB     44 GLU- HN      4.64                
 44 GLU- HN     44 GLU- HG2     3.86                
 44 GLU- HN     44 GLU- HG3     3.86                
 44 GLU- HN     44 GLU- QG      3.66                
 44 GLU- HN     45 THR  HN      3.14                
 44 GLU- HN     45 THR  QG2     5.35                
 44 GLU- HA     44 GLU- HG2     3.92                
 44 GLU- HA     44 GLU- HG3     3.92                
 44 GLU- HA     44 GLU- QG      3.47                
 44 GLU- HA     45 THR  HN      3.21                
 45 THR  HN     45 THR  HB      3.11                
 45 THR  HN     45 THR  QG2     4.51                
 45 THR  HN     46 ILE  HN      2.80                
 45 THR  HN     46 ILE  QG2     4.20                
 45 THR  HA     46 ILE  HN      3.61                
 45 THR  HB     46 ILE  HN      3.39                
 45 THR  QG2    46 ILE  HN      5.23                
 46 ILE  HN     46 ILE  HB      2.96                
 46 ILE  HN     46 ILE  QG2     4.64                
 46 ILE  HN     46 ILE  QG1     4.86                
 46 ILE  HN     46 ILE  QD1     4.70                
 46 ILE  HA     46 ILE  QD1     4.02                
101 ASP- HN    101 ASP- HB2 3.30      
101 ASP- HN    101 ASP- HB3 3.30      
101 ASP- HN    101 ASP- QB 3.09      
101 ASP- HN    102 TYR  HN 3.27      
101 ASP- HA    102 TYR  HN 3.58      
101 ASP- HA    104 ARG+ HN 4.29      
101 ASP- HB2   102 TYR  HN 3.95      
101 ASP- HB3   102 TYR  HN 3.95      
102 TYR  HN    102 TYR  HB2 3.36      
102 TYR  HN    102 TYR  HB3 3.36      
102 TYR  HN    102 TYR  QE 7.63      
102 TYR  HN    103 LEU  HN 3.39      
102 TYR  HA    103 LEU  HN 3.57      
102 TYR  HB2   103 LEU  HN 3.76      
102 TYR  HB3   103 LEU  HN 3.76      
102 TYR  QD    103 LEU  HN 7.64      
102 TYR  QD    103 LEU  QQD 9.77      
102 TYR  QD    106 LEU  HG 7.52      
102 TYR  QE    103 LEU  QQD 9.76      
103 LEU  HN    103 LEU  HA 2.83      
103 LEU  HN    103 LEU  HG 3.27      
103 LEU  HN    103 LEU  QQD 7.38      
103 LEU  HA    103 LEU  HG 3.36      
103 LEU  HA    105 GLU- HN 3.45      
103 LEU  HA    106 LEU  QB 4.92      
103 LEU  QB    104 ARG+ HN 4.42      
103 LEU  QQD   146 ILE  QG2 7.61      
103 LEU  QQD   146 ILE  QG1 6.99      
103 LEU  QQD   146 ILE  QD1 7.36      
104 ARG+ HN    104 ARG+ QB 3.90      
104 ARG+ HN    104 ARG+ HG2 3.92      
104 ARG+ HN    104 ARG+ HG3 3.92      
104 ARG+ HN    104 ARG+ QG 3.23      
104 ARG+ HN    104 ARG+ QD 6.38      
104 ARG+ HN    104 ARG+ HE 5.31      
104 ARG+ HN    105 GLU- HN 2.77      
104 ARG+ HA    104 ARG+ HG2 4.11      
104 ARG+ HA    104 ARG+ HG3 4.11      
104 ARG+ HA    104 ARG+ QG 3.84      
104 ARG+ HA    105 GLU- HN 3.64      
105 GLU- HN    105 GLU- QG 6.38      
105 GLU- HA    109 LEU  HN 3.76
105 GLU- QB    106 LEU  QQD     5.38      
106 LEU  HN    106 LEU  HG 3.79      
106 LEU  HN    106 LEU  QQD 6.86      
106 LEU  HN    107 LEU  HN 2.80      
106 LEU  HA    106 LEU  HG 2.77      
106 LEU  HG    143 LEU  QQD 5.56      
107 LEU  HN    107 LEU  HA 2.74      
107 LEU  HN    108 LYS+ HN 2.96      
107 LEU  HN    109 LEU  HN 3.48      
107 LEU  HN    143 LEU  QQD 6.61      
107 LEU  HA    108 LYS+ HN 3.63
107 LEU  HA    110 GLU- QB      3.53
107 LEU  HA    110 GLU- HN      3.70       
108 LYS+ HN    108 LYS+ HA 2.68      
108 LYS+ HN    108 LYS+ QB 3.90      
108 LYS+ HN    108 LYS+ QG 6.38      
108 LYS+ HN    108 LYS+ QD 5.76      
108 LYS+ HN    109 LEU  HN 3.08      
108 LYS+ HN    110 GLU- HN 3.89      
108 LYS+ HA    108 LYS+ QD 4.95      
108 LYS+ HA    109 LEU  HN 3.61      
108 LYS+ HA    111 LEU  HN 3.36      
109 LEU  HN    109 LEU  HG 2.83      
109 LEU  HN    109 LEU  QQD 6.45      
109 LEU  HN    110 GLU- HN 3.24      
109 LEU  HN    111 LEU  HN 4.11      
109 LEU  HA    109 LEU  HG 3.21      
109 LEU  HA    112 GLN  HN 3.67      
109 LEU  QQD   110 GLU- HN 7.07                
110 GLU- HN    110 GLU- HB3     3.52                
110 GLU- HN    110 GLU- HB2     2.72
110 GLU- HA    110 GLU- HB3     2.92                
110 GLU- HA    110 GLU- HB2     3.42                
110 GLU- HN    110 GLU- QG      4.07                
110 GLU- HN    109 LEU  QB      4.07      
110 GLU- HN    111 LEU  HN 3.30         
110 GLU- HN    140 ILE  QG2 5.04      
110 GLU- HA    113 LEU  HN 3.89      
110 GLU- HA    113 LEU  HB2 3.58                
110 GLU- HA    113 LEU  HG      2.68       
110 GLU- HB2   111 LEU  HN 4.17         
110 GLU- HB3   111 LEU  HN 4.17         
110 GLU- QB    111 LEU  HN 3.77         
110 GLU- QB    140 ILE  QG2 5.30             
110 GLU- HB3   140 ILE  QG1     2.78                
110 GLU- QG    140 ILE  QG1     3.70
110 GLU- QG    143 LEU  QQD     4.90      
110 GLU- QG    111 LEU  HN 5.26         
111 LEU  HN    112 GLN  HN 3.11      
111 LEU  HA    114 ILE  HN 3.70
111 LEU  HA    114 ILE  HB 2.90
112 GLN  HN    112 GLN  HG2     4.35                
112 GLN  HN    112 GLN  HG3     4.35                
112 GLN  HN    113 LEU  HN      3.11                
112 GLN  HA    112 GLN  HG2     3.92                
112 GLN  HA    112 GLN  HG3     3.92                
112 GLN  HA    115 LYS+ HN      3.55                
113 LEU  HN    113 LEU  HB2     3.30                
113 LEU  HN    113 LEU  HB3     3.60                
113 LEU  HN    113 LEU  HG      3.58                
113 LEU  HN    113 LEU  QQD     7.42                
113 LEU  HN    114 ILE  HN      3.39                
113 LEU  HN    115 LYS+ HN      4.35                
113 LEU  HN    116 GLN  HN      4.20                
113 LEU  HA    113 LEU  HG      3.73                
113 LEU  HA    116 GLN  QB      4.52                
113 LEU  HA    117 TYR  QD      7.64                
113 LEU  QB    114 ILE  HN      4.52                
113 LEU  QB    117 TYR  QE      8.51                
113 LEU  HG    114 ILE  HN      4.32                
113 LEU  QQD   117 TYR  QD      9.71                
114 ILE  HN    114 ILE  HB      3.02                
114 ILE  HN    114 ILE  QG2     4.48                
114 ILE  HN    114 ILE  QG1     6.00                
114 ILE  HN    114 ILE  QD1     4.92                
114 ILE  HN    115 LYS+ HN      3.27                
114 ILE  HA    114 ILE  HB      3.34                
114 ILE  HA    114 ILE  QD1     3.83                
114 ILE  HA    117 TYR  HN      3.45                
114 ILE  HA    117 TYR  HB2     3.58                
114 ILE  HA    117 TYR  HB3     3.58                
114 ILE  HA    117 TYR  QB      3.41                
114 ILE  HA    117 TYR  QD      6.15                
114 ILE  HA    117 TYR  QE      7.54                
114 ILE  QG2   115 LYS+ HN      4.95                
114 ILE  QG2   137 GLU- QB      5.05                
114 ILE  QG2   137 GLU- QG      5.64                
114 ILE  QG1   137 GLU- QB      7.25                
114 ILE  QD1   115 LYS+ HN      5.29                
114 ILE  QD1   136 GLU- HN      5.97                
115 LYS+ HN    115 LYS+ HB2     2.99                
115 LYS+ HN    115 LYS+ HB3     2.99                
115 LYS+ HN    115 LYS+ QB      2.79                
115 LYS+ HN    115 LYS+ QG      6.38                
115 LYS+ HN    115 LYS+ QD      4.33                
115 LYS+ HN    116 GLN  HN      3.08                
115 LYS+ HN    117 TYR  HN      4.01                
115 LYS+ HN    133 LEU  QQD     6.86                
115 LYS+ HA    118 ARG+ HN      3.61                
115 LYS+ HA    118 ARG+ QB      4.02                
116 GLN  HN    116 GLN  HG2     4.63                
116 GLN  HN    116 GLN  HG3     4.63                
116 GLN  HN    116 GLN  QG      4.26                
116 GLN  HN    117 TYR  HN      3.24                
116 GLN  HN    118 ARG+ HN      4.01                
116 GLN  HA    119 GLU- HN      3.39                
116 GLN  HA    119 GLU- HB2     3.08                
116 GLN  HA    119 GLU- HB3     3.08                
116 GLN  HA    119 GLU- QB      2.86                
117 TYR  HN    117 TYR  HB2     3.48                
117 TYR  HN    117 TYR  HB3     3.48                
117 TYR  HN    117 TYR  QB      3.31                
117 TYR  HN    117 TYR  QE      7.63                
117 TYR  HN    118 ARG+ HN      3.21                
117 TYR  HN    119 GLU- HN      4.23                
117 TYR  HN    133 LEU  QQD     6.92                
117 TYR  HA    118 ARG+ HN      3.61                
117 TYR  HA    120 ALA  HN      3.27                
117 TYR  HA    120 ALA  QB      4.20                
117 TYR  HB2   118 ARG+ HN      3.70                
117 TYR  HB3   118 ARG+ HN      3.70                
117 TYR  QB    133 LEU  QQD     7.55                
117 TYR  QD    118 ARG+ HN      7.64                
117 TYR  QD    120 ALA  QB      7.33
117 TYR  QD    136 GLU- HG3     5.39
117 TYR  QE    136 GLU- HG3     4.39                
117 TYR  QD    129 LEU  QB      8.52                
117 TYR  QD    132 ILE  QG2     8.67                
117 TYR  QD    133 LEU  QQD     8.59                
117 TYR  QE    120 ALA  QB      8.66                
117 TYR  QE    129 LEU  QQD     8.52                
117 TYR  QE    132 ILE  QG2     7.64                
118 ARG+ HN    118 ARG+ HG2     4.20                
118 ARG+ HN    118 ARG+ HG3     4.20                
118 ARG+ HN    118 ARG+ QG      3.60                
118 ARG+ HN    118 ARG+ QD      6.38                
118 ARG+ HN    119 GLU- HN      3.08                
118 ARG+ HN    120 ALA  HN      3.70                
118 ARG+ HA    118 ARG+ HG2     3.08                
118 ARG+ HA    118 ARG+ HG3     3.08                
118 ARG+ HA    118 ARG+ QG      2.89                
118 ARG+ HA    118 ARG+ QD      5.76                
118 ARG+ HA    119 GLU- HN      3.42                
118 ARG+ HA    121 LEU  HN      3.39                
118 ARG+ HA    133 LEU  QQD     5.46                
118 ARG+ QB    118 ARG+ HE      6.38                
118 ARG+ QG    119 GLU- HN      4.98                
118 ARG+ QD    133 LEU  QD1     7.40                
118 ARG+ QD    133 LEU  QD2     7.40                
118 ARG+ QD    133 LEU  QQD     7.03                
118 ARG+ HE    133 LEU  QQD     6.49                
119 GLU- HN    119 GLU- HB2     3.14                
119 GLU- HN    119 GLU- HB3     3.14                
119 GLU- HN    119 GLU- QB      2.94                
119 GLU- HN    119 GLU- HG2     4.85                
119 GLU- HN    119 GLU- HG3     4.85                
119 GLU- HN    119 GLU- QG      4.35                
119 GLU- HN    120 ALA  HN      3.05                
119 GLU- HN    120 ALA  QB      5.78                
119 GLU- HA    119 GLU- HB2     2.99                
119 GLU- HA    119 GLU- HB3     2.99                
119 GLU- HA    119 GLU- HG2     4.07                
119 GLU- HA    119 GLU- HG3     4.07                
119 GLU- HA    119 GLU- QG      3.88                
119 GLU- HA    120 ALA  HN      3.60                
119 GLU- QB    120 ALA  HN      4.02                
119 GLU- HG2   120 ALA  HN      5.50                
119 GLU- HG3   120 ALA  HN      5.50                
119 GLU- QG    123 TYR  QE      8.51                
120 ALA  HN    120 ALA  QB      3.64                
120 ALA  HA    123 TYR  HN      3.83                
120 ALA  HA    123 TYR  HB2     4.01                
120 ALA  HA    123 TYR  HB3     4.01                
120 ALA  HA    123 TYR  QD      7.14                
120 ALA  HA    124 VAL  HN      4.11                
121 LEU  HN    122 GLU- HN      3.14                
122 GLU- HN    122 GLU- HA      2.87                
122 GLU- HN    122 GLU- HB2     3.92                
122 GLU- HN    122 GLU- HB3     3.92                
122 GLU- HN    122 GLU- QB      3.28                
122 GLU- HN    122 GLU- HG2     3.83                
122 GLU- HN    122 GLU- HG3     3.83                
122 GLU- HN    122 GLU- QG      3.33                
122 GLU- HN    124 VAL  HN      3.79                
122 GLU- HA    122 GLU- HG2     4.11                
122 GLU- HA    122 GLU- HG3     4.11                
122 GLU- HA    122 GLU- QG      3.55                
122 GLU- HA    123 TYR  HN      3.64                
123 TYR  HN    123 TYR  HB2     3.39                
123 TYR  HN    123 TYR  HB3     3.39                
123 TYR  HN    123 TYR  QE      7.63                
123 TYR  HN    124 VAL  HN      2.96                
123 TYR  HN    124 VAL  QQG     7.62                
123 TYR  HB2   124 VAL  HN      3.83                
123 TYR  HB3   124 VAL  HN      3.83                
123 TYR  QB    124 VAL  HN      3.58                
123 TYR  QD    124 VAL  HN      7.64                
124 VAL  HN    124 VAL  HB      3.30                
124 VAL  HN    125 LYS+ HN      2.87                
124 VAL  HA    125 LYS+ HN      3.68                
124 VAL  HB    125 LYS+ HN      3.38
124 VAL  QG1   126 LEU  QQD     5.98                
125 LYS+ HN    125 LYS+ HG2     4.23                
125 LYS+ HN    125 LYS+ HG3     4.23                
125 LYS+ HN    125 LYS+ QG      3.92                
125 LYS+ HN    125 LYS+ QD      5.48
125 LYS+ HN    126 LEU  HN      3.55          
125 LYS+ HA    125 LYS+ HG2     4.14                
125 LYS+ HA    125 LYS+ HG3     4.14                
125 LYS+ HA    125 LYS+ QG      3.90
125 LYS+ HA    126 LEU  HN      3.02
125 LYS+ QB    126 LEU  HN      5.11
126 LEU  HN    126 LEU  QQD     5.83              
127 PRO  HA    130 ALA  HN      3.73                
127 PRO  HA    130 ALA  QB      4.48                
127 PRO  QG    128 VAL  HN      5.26                
128 VAL  HN    128 VAL  HB      2.65                
128 VAL  HN    128 VAL  QG1     4.67                
128 VAL  HN    128 VAL  QG2     4.67                
128 VAL  HN    128 VAL  QQG     4.30
128 VAL  HN    126 LEU  QQD     4.60                 
128 VAL  HN    129 LEU  HN      3.33                
128 VAL  HA    128 VAL  HB      2.90                
128 VAL  HA    129 LEU  HN      3.61                
128 VAL  HA    131 LYS+ HN      3.36                
128 VAL  HA    131 LYS+ QB      4.11                
128 VAL  HB    129 LEU  HN      3.39                
128 VAL  QG1   129 LEU  HN      5.91                
128 VAL  QG2   129 LEU  HN      5.91                
128 VAL  QQG   129 LEU  HN      5.26                
129 LEU  HN    129 LEU  HB2     3.30                
129 LEU  HN    129 LEU  HB3     3.30                
129 LEU  HN    129 LEU  QB      3.10                
129 LEU  HN    129 LEU  HG      3.79                
129 LEU  HN    129 LEU  QQD     6.92               
129 LEU  HN    126 LEU  QQD     5.92                
129 LEU  HN    130 ALA  HN      3.08                
129 LEU  HN    131 LYS+ HN      3.79                
129 LEU  HA    129 LEU  HG      3.73                
129 LEU  HA    132 ILE  HB      3.42                
129 LEU  HA    133 LEU  HN      3.86                
129 LEU  QB    130 ALA  HN      4.76                
129 LEU  QQD   130 ALA  HN      7.51                
130 ALA  HN    131 LYS+ HN      3.05                
130 ALA  HA    133 LEU  HN      3.36                
130 ALA  HA    133 LEU  QB      3.77                
130 ALA  HA    133 LEU  QD1     4.11                
130 ALA  HA    133 LEU  QD2     4.11                
130 ALA  HA    133 LEU  QQD     3.62                
130 ALA  QB    131 LYS+ HN      4.17               
130 ALA  HN    121 LEU  QQD     3.45                 
131 LYS+ HN    131 LYS+ QG      6.38                
131 LYS+ HN    131 LYS+ QD      6.38                
131 LYS+ HN    132 ILE  HN      3.17                
131 LYS+ HN    133 LEU  HN      4.04                
131 LYS+ HA    131 LYS+ QD      4.92                
131 LYS+ HA    132 ILE  HN      3.45                
131 LYS+ HA    134 GLU- HB2     3.05                
131 LYS+ HA    134 GLU- HB3     3.05                
131 LYS+ HA    134 GLU- QB      2.76                
131 LYS+ QB    132 ILE  HA      5.32                
132 ILE  HN    132 ILE  HB      3.17                
132 ILE  HN    132 ILE  QG1     5.11                
132 ILE  HN    132 ILE  QD1     5.38                
132 ILE  HN    133 LEU  HN      2.77                
132 ILE  HN    133 LEU  QQD     6.05                
132 ILE  HA    135 ASP- QB      4.45                
132 ILE  HB    133 LEU  HN      3.36                
132 ILE  QG2   133 LEU  HN      5.69                
133 LEU  HN    133 LEU  HG      3.21                
133 LEU  HN    133 LEU  QD1     5.13                
133 LEU  HN    133 LEU  QD2     5.13                
133 LEU  HN    133 LEU  QQD     4.81                
133 LEU  HN    134 GLU- HN      3.36                
133 LEU  HA    133 LEU  HG      3.86                
133 LEU  HA    133 LEU  QD1     4.64                
133 LEU  HA    133 LEU  QD2     4.94                
133 LEU  HA    133 LEU  QQD     4.14                
133 LEU  HA    136 GLU- HN      3.70               
133 LEU  HA    136 GLU- HG3     3.56                
133 LEU  HA    136 GLU- QB      3.72                
133 LEU  QD1   134 GLU- HN      5.97                
133 LEU  QD2   134 GLU- HN      5.97                
133 LEU  QQD   134 GLU- HN      5.54                
133 LEU  QQD   134 GLU- QG      7.14                
134 GLU- HN    134 GLU- HB2     3.17                
134 GLU- HN    134 GLU- HB3     3.17                
134 GLU- HN    134 GLU- HG2     4.76                
134 GLU- HN    134 GLU- HG3     4.76                
134 GLU- HN    134 GLU- QG      4.31                
134 GLU- HN    135 ASP- HN      3.14                
134 GLU- HA    134 GLU- HB2     3.02                
134 GLU- HA    134 GLU- HB3     3.02                
134 GLU- HA    134 GLU- QB      2.70                
134 GLU- HA    134 GLU- HG2     3.83                
134 GLU- HA    134 GLU- HG3     3.83                
134 GLU- HA    134 GLU- QG      3.45                
134 GLU- HA    135 ASP- HN      3.61                
134 GLU- HA    137 GLU- HN      3.39                
134 GLU- HA    137 GLU- HB2     2.96                
134 GLU- HA    137 GLU- HB3     3.36                
134 GLU- HA    137 GLU- QB      2.67                
134 GLU- HB2   135 ASP- HN      3.48                
134 GLU- HB3   135 ASP- HN      3.48                
135 ASP- HN    135 ASP- HB2     3.36                
135 ASP- HN    135 ASP- HB3     3.36                
135 ASP- HN    135 ASP- QB      3.18                
135 ASP- HN    136 GLU- HN      3.33                
135 ASP- HA    138 LYS+ HN      3.79                
135 ASP- HA    138 LYS+ QB      4.58                
136 GLU- HN    136 GLU- HG3     3.52                
136 GLU- HN    136 GLU- QB      3.52               
136 GLU- HN    136 GLU- HG2     4.57                 
136 GLU- HN    137 GLU- HN      3.11                
136 GLU- HA    139 HIS+ HN      3.52                
136 GLU- HA    139 HIS+ QB      4.76
136 GLU- HG2   132 ILE  QG2     4.86                
137 GLU- HN    137 GLU- HB2     3.11                
137 GLU- HN    137 GLU- HB3     3.11                
137 GLU- HN    137 GLU- HG2     3.76                
137 GLU- HN    137 GLU- HG3     3.96                
137 GLU- HN    138 LYS+ HN      3.17                
137 GLU- HN    138 LYS+ QB      5.07                
137 GLU- HA    137 GLU- HG2     4.04                
137 GLU- HA    137 GLU- HG3     4.04                
137 GLU- HA    137 GLU- QG      3.73                
137 GLU- HA    140 ILE  HN      3.64                
137 GLU- HA    140 ILE  HB      2.77                
137 GLU- HA    140 ILE  QG1     5.94                
137 GLU- QB    138 LYS+ HN      4.49                
138 LYS+ HN    138 LYS+ QG      5.66                
138 LYS+ HN    138 LYS+ QD      5.48                
138 LYS+ HN    139 HIS+ HN      3.11                
138 LYS+ HA    141 GLU- HN      3.39                
138 LYS+ HA    141 GLU- HB2     2.80                
138 LYS+ HA    141 GLU- HB3     2.80                
138 LYS+ HA    142 TRP  HN      4.20                
138 LYS+ QB    139 HIS+ HN      4.52                
138 LYS+ QG    139 HIS+ HN      6.22
139 HIS+ HN    139 HIS+ HB2     3.70
139 HIS+ HN    139 HIS+ HB3     3.70                
139 HIS+ HN    140 ILE  HN      3.36                
140 ILE  HN    140 ILE  HB      3.05                
140 ILE  HN    140 ILE  QG2     4.57                
140 ILE  HN    140 ILE  QG1     5.54                
140 ILE  HN    140 ILE  QD1     4.92                
140 ILE  HN    141 GLU- HN      3.36                
140 ILE  HN    142 TRP  HN      4.01                
140 ILE  HA    140 ILE  QD1     4.70                
140 ILE  HA    143 LEU  QB      4.21                
140 ILE  QG2   141 GLU- HN      4.79                
141 GLU- HN    141 GLU- HB2     2.90                
141 GLU- HN    141 GLU- HB3     2.90                
141 GLU- HN    141 GLU- HG2     4.63                
141 GLU- HN    141 GLU- HG3     4.63                
141 GLU- HN    141 GLU- QG      4.26                
141 GLU- HN    142 TRP  HN      3.24                
141 GLU- HA    141 GLU- QB      2.73                
141 GLU- HA    141 GLU- HG2     4.17                
141 GLU- HA    141 GLU- HG3     4.17                
141 GLU- HA    141 GLU- QG      3.87                
141 GLU- HA    143 LEU  HN      4.11                
141 GLU- HA    144 GLU- HN      3.67                
141 GLU- HA    144 GLU- QB      3.96                
141 GLU- QB    142 TRP  HN      4.05                
142 TRP  HN    142 TRP  HB2     3.42                
142 TRP  HN    142 TRP  HB3     3.42                
142 TRP  HN    142 TRP  HD1     4.23                
142 TRP  HN    142 TRP  HE3     4.97                
142 TRP  HN    143 LEU  HN      3.33                
142 TRP  HA    142 TRP  HD1     3.55                
142 TRP  HA    143 LEU  HN      3.58                
142 TRP  HB2   143 LEU  HN      3.64                
142 TRP  HB3   143 LEU  HN      3.64                
142 TRP  HD1   145 THR  QG2     5.88                
142 TRP  HE3   143 LEU  HN      4.29                
142 TRP  HE3   143 LEU  HA      4.72                
142 TRP  HE3   143 LEU  QQD     6.76
142 TRP  HE3   143 LEU  HG      3.06                
143 LEU  HN    143 LEU  HG      3.14                
143 LEU  HN    143 LEU  QQD     6.52                
143 LEU  HN    144 GLU- HN      3.30                
143 LEU  HN    145 THR  HN      4.11                
143 LEU  HA    143 LEU  HG      3.24                
143 LEU  HA    144 GLU- HN      3.58                
143 LEU  HA    146 ILE  HN      4.01                
143 LEU  HA    146 ILE  HB      3.24                
143 LEU  QB    144 GLU- HN      4.64                
144 GLU- HN    144 GLU- HG2     3.86                
144 GLU- HN    144 GLU- HG3     3.86                
144 GLU- HN    144 GLU- QG      3.66                
144 GLU- HN    145 THR  HN      3.14                
144 GLU- HN    145 THR  QG2     5.35                
144 GLU- HA    144 GLU- HG2     3.92                
144 GLU- HA    144 GLU- HG3     3.92                
144 GLU- HA    144 GLU- QG      3.47                
144 GLU- HA    145 THR  HN      3.21                
145 THR  HN    145 THR  HB      3.11                
145 THR  HN    145 THR  QG2     4.51                
145 THR  HN    146 ILE  HN      2.80                
145 THR  HN    146 ILE  QG2     4.20                
145 THR  HA    146 ILE  HN      3.61                
145 THR  HB    146 ILE  HN      3.39                
145 THR  QG2   146 ILE  HN      5.23                
146 ILE  HN    146 ILE  HB      2.96                
146 ILE  HN    146 ILE  QG2     4.64                
146 ILE  HN    146 ILE  QG1     4.86                
146 ILE  HN    146 ILE  QD1     4.70                
146 ILE  HA    146 ILE  QD1     4.02                
  2 TYR  HA    120 ALA  QB      4.30
  2 TYR  QB    120 ALA  QB      5.61                
  2 TYR  QD    120 ALA  HA      7.64                
  2 TYR  QD    120 ALA  QB      7.74  
  2 TYR  QE    120 ALA  HA      7.63                
  2 TYR  QE    120 ALA  QB      8.66 
 20 ALA  HA    102 TYR  QD      7.64                
 20 ALA  HA    102 TYR  QE      7.63                
 20 ALA  QB    102 TYR  HA      4.30                
 20 ALA  QB    102 TYR  QB      5.61                
 20 ALA  QB    102 TYR  QD      7.74                
 20 ALA  QB    102 TYR  QE      8.66 
  2 TYR  QE    123 TYR  HB2     7.63                
  2 TYR  QE    123 TYR  HB3     7.63
 23 TYR  HB2   102 TYR  QE      7.63                 
 23 TYR  HB3   102 TYR  QE      7.63 
  2 TYR  QB    124 VAL  QQG     8.19
  2 TYR  QD    124 VAL  HB      7.64                
  2 TYR  QD    124 VAL  QQG     9.17
  2 TYR  QE    124 VAL  HB      7.63                
  2 TYR  QE    124 VAL  QQG     9.75
 24 VAL  HB    102 TYR  QD      7.64                
 24 VAL  HB    102 TYR  QE      7.63                
 24 VAL  QQG   102 TYR  QB      8.19                
 24 VAL  QQG   102 TYR  QD      9.17                
 24 VAL  QQG   102 TYR  QE      9.75 
  6 LEU  HG    116 GLN  QB      4.92
  6 LEU  QQD   116 GLN  QB      7.95
  6 LEU  QQD   129 LEU  QQD     7.38
 29 LEU  QQD   106 LEU  QQD     7.38
 16 GLN  QB    106 LEU  HG      4.92                
 16 GLN  QB    106 LEU  QQD     7.95 
  6 LEU  HA    117 TYR  QD      6.21                
  6 LEU  HA    117 TYR  QE      6.64                
  6 LEU  QB    117 TYR  QE      8.51 
  6 LEU  HG    117 TYR  HA      3.86                
  6 LEU  HG    117 TYR  QD      6.28                
  6 LEU  HG    117 TYR  QE      5.80  
  6 LEU  QQD   117 TYR  HN      7.17                
  6 LEU  QQD   117 TYR  HA      6.21                
  6 LEU  QQD   117 TYR  QD      9.65                
  6 LEU  QQD   117 TYR  QE      9.73 
 17 TYR  HA    106 LEU  QQD     6.21                
 17 TYR  HN    106 LEU  QQD     7.17               
 17 TYR  HA    106 LEU  HG      3.86                               
 17 TYR  QD    106 LEU  HA      6.21                
 17 TYR  QD    106 LEU  HG      6.28                
 17 TYR  QD    106 LEU  QQD     9.65                
 17 TYR  QE    106 LEU  HA      6.64                
 17 TYR  QE    106 LEU  QB      8.51                
 17 TYR  QE    106 LEU  HG      5.80                
 17 TYR  QE    106 LEU  QQD     9.73 
  6 LEU  HG    120 ALA  HN      4.82             
  6 LEU  HG    120 ALA  QB      3.92                
  6 LEU  QQD   120 ALA  QB      8.66
 20 ALA  HN    106 LEU  HG      4.82                
 20 ALA  QB    106 LEU  HG      3.92                
 20 ALA  QB    106 LEU  QQD     8.66 
  9 LEU  QQD   112 GLN  QE2     8.50                 
 12 GLN  QE2   109 LEU  QQD     8.50
 12 GLN  QE2   113 LEU  QQD     7.44                
 13 LEU  QQD   112 GLN  QE2     7.44
 46 ILE  QD1   126 LEU  QQD     5.83 
 26 LEU  QQD   146 ILE  QD1     5.83 
 28 VAL  QQG   142 TRP  HZ3     7.44              
 28 VAL  QG1   142 TRP  HE1     5.75                
 28 VAL  QG1   142 TRP  HZ2     5.60                 
 28 VAL  QG2   142 TRP  HE1     5.75                
 28 VAL  QG2   142 TRP  HZ2     5.60                
 28 VAL  QQG   142 TRP  HE1     5.27
 42 TRP  HZ3   128 VAL  QQG     7.44 
 42 TRP  HE1   128 VAL  QG1     5.75                
 42 TRP  HE1   128 VAL  QG2     5.75                
 42 TRP  HE1   128 VAL  QQG     5.27
 42 TRP  HZ2   128 VAL  QG1     5.60                
 42 TRP  HZ2   128 VAL  QG2     5.60 
 32 ILE  QG2   139 HIS+ HE1     5.13    
 39 HIS+ HE1   132 ILE  QG2     5.13
 32 ILE  QD1   142 TRP  HE3     5.91
 32 ILE  QD1   142 TRP  HZ3     6.22 
 42 TRP  HZ3   132 ILE  QD1     6.22                
132 ILE  QD1    42 TRP  HE3     5.91 
 35 ASP- HB2   139 HIS+ HE1     4.23                 
 35 ASP- HB3   139 HIS+ HE1     4.23                
 39 HIS+ HE1   135 ASP- HB2     4.23                
 39 HIS+ HE1   135 ASP- HB3     4.23                
 39 HIS+ HE1   135 ASP- QB      4.06
139 HIS+ HE1    35 ASP- QB      4.06
 42 TRP  HH2   126 LEU  QQD     4.60                
 42 TRP  HZ2   126 LEU  QQD     4.50 
142 TRP  HH2    26 LEU  QQD     4.60                
142 TRP  HZ2    26 LEU  QQD     4.50 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   0          H1        ACE   0   3.715   7.875   6.778
    2   2H    ACE   0          H2        ACE   0   2.862   6.784   5.657
    3   3H    ACE   0          H3        ACE   0   3.260   6.238   7.299
    4    H    ASP   1           H        ASP   1   1.616   9.012   5.733
    5    HA   ASP   1           HA       ASP   1  -0.792   8.547   7.446
    6   1HB   ASP   1          1HB       ASP   1   0.324  10.489   8.354
    7   2HB   ASP   1          2HB       ASP   1   0.436  11.251   6.765
    8    H    TYR   2           H        TYR   2  -0.395  11.009   4.873
    9    HA   TYR   2           HA       TYR   2  -2.610  10.310   3.366
   10   1HB   TYR   2          1HB       TYR   2  -0.210  11.936   2.954
   11   2HB   TYR   2          2HB       TYR   2  -0.847  11.230   1.483
   12    HD1  TYR   2           HD1      TYR   2  -3.090  11.794   0.621
   13    HD2  TYR   2           HD2      TYR   2  -1.887  12.910   4.551
   14    HE1  TYR   2           HE1      TYR   2  -5.097  13.237   0.834
   15    HE2  TYR   2           HE2      TYR   2  -3.913  14.322   4.823
   16    HH   TYR   2           HH       TYR   2  -5.907  14.931   3.877
   17    H    LEU   3           H        LEU   3   0.404   8.548   3.376
   18    HA   LEU   3           HA       LEU   3  -0.539   7.078   1.012
   19   1HB   LEU   3          1HB       LEU   3   2.312   7.581   1.955
   20   2HB   LEU   3          2HB       LEU   3   1.829   6.815   0.439
   21    HG   LEU   3           HG       LEU   3   1.251   9.736   1.152
   22   1HD1  LEU   3          1HD1      LEU   3   3.658   9.337   0.929
   23   2HD1  LEU   3          2HD1      LEU   3   3.397   8.561  -0.649
   24   3HD1  LEU   3          3HD1      LEU   3   3.031  10.285  -0.430
   25   1HD2  LEU   3          1HD2      LEU   3   0.996   8.214  -1.481
   26   2HD2  LEU   3          2HD2      LEU   3  -0.360   8.807  -0.500
   27   3HD2  LEU   3          3HD2      LEU   3   0.744   9.957  -1.259
   28    H    ARG   4           H        ARG   4  -0.241   6.566   4.320
   29    HA   ARG   4           HA       ARG   4   0.954   3.948   4.145
   30   1HB   ARG   4          1HB       ARG   4  -0.333   3.394   6.204
   31   2HB   ARG   4          2HB       ARG   4   0.829   4.715   6.339
   32   1HG   ARG   4          1HG       ARG   4  -0.818   6.345   6.486
   33   2HG   ARG   4          2HG       ARG   4  -2.113   5.325   5.846
   34   1HD   ARG   4          1HD       ARG   4  -2.094   3.975   7.876
   35   2HD   ARG   4          2HD       ARG   4  -0.667   4.866   8.485
   36    HE   ARG   4           HE       ARG   4  -2.692   6.744   7.910
   37   1HH1  ARG   4          1HH2      ARG   4  -2.171   4.055  10.113
   38   2HH1  ARG   4          2HH2      ARG   4  -2.999   4.788  11.461
   39   1HH2  ARG   4          1HH1      ARG   4  -3.710   7.772   9.651
   40   2HH2  ARG   4          2HH1      ARG   4  -3.906   6.975  11.186
   41    H    GLU   5           H        GLU   5  -2.269   5.257   3.538
   42    HA   GLU   5           HA       GLU   5  -3.353   2.516   3.327
   43   1HB   GLU   5          1HB       GLU   5  -4.637   5.249   3.416
   44   2HB   GLU   5          2HB       GLU   5  -5.527   3.765   3.043
   45   1HG   GLU   5          1HG       GLU   5  -5.257   2.847   5.150
   46   2HG   GLU   5          2HG       GLU   5  -3.725   3.650   5.460
   47    H    LEU   6           H        LEU   6  -2.189   5.047   1.209
   48    HA   LEU   6           HA       LEU   6  -3.507   3.869  -1.132
   49   1HB   LEU   6          1HB       LEU   6  -1.629   6.225  -0.796
   50   2HB   LEU   6          2HB       LEU   6  -2.349   5.658  -2.308
   51    HG   LEU   6           HG       LEU   6  -4.567   6.162  -1.619
   52   1HD1  LEU   6          1HD1      LEU   6  -4.798   5.786   0.657
   53   2HD1  LEU   6          2HD1      LEU   6  -3.398   6.779   1.090
   54   3HD1  LEU   6          3HD1      LEU   6  -4.897   7.535   0.546
   55   1HD2  LEU   6          1HD2      LEU   6  -2.810   7.849  -2.553
   56   2HD2  LEU   6          2HD2      LEU   6  -4.333   8.468  -1.968
   57   3HD2  LEU   6          3HD2      LEU   6  -2.882   8.582  -0.941
   58    H    LEU   7           H        LEU   7  -0.302   3.625   0.426
   59    HA   LEU   7           HA       LEU   7   0.497   1.970  -1.825
   60   1HB   LEU   7          1HB       LEU   7   2.589   2.857  -2.126
   61   2HB   LEU   7          2HB       LEU   7   1.520   4.241  -1.970
   62    HG   LEU   7           HG       LEU   7   2.298   4.354   0.493
   63   1HD1  LEU   7          1HD1      LEU   7   3.848   2.030  -0.280
   64   2HD1  LEU   7          2HD1      LEU   7   4.945   3.364   0.084
   65   3HD1  LEU   7          3HD1      LEU   7   3.768   2.856   1.288
   66   1HD2  LEU   7          1HD2      LEU   7   4.316   4.938  -1.692
   67   2HD2  LEU   7          2HD2      LEU   7   2.939   5.955  -1.279
   68   3HD2  LEU   7          3HD2      LEU   7   4.227   5.694  -0.090
   69    H    LYS   8           H        LYS   8   0.989   2.653   1.642
   70    HA   LYS   8           HA       LYS   8   2.783   0.518   1.898
   71   1HB   LYS   8          1HB       LYS   8   2.440   2.514   3.426
   72   2HB   LYS   8          2HB       LYS   8   1.129   1.580   4.200
   73   1HG   LYS   8          1HG       LYS   8   2.710  -0.135   4.878
   74   2HG   LYS   8          2HG       LYS   8   4.025   0.691   4.011
   75   1HD   LYS   8          1HD       LYS   8   3.726   2.713   5.396
   76   2HD   LYS   8          2HD       LYS   8   2.351   1.970   6.235
   77   1HE   LYS   8          1HE       LYS   8   3.832   0.245   7.190
   78   2HE   LYS   8          2HE       LYS   8   5.217   0.919   6.306
   79   1HZ   LYS   8          1HZ       LYS   8   4.944   2.945   7.527
   80   2HZ   LYS   8          2HZ       LYS   8   3.638   2.348   8.334
   81   3HZ   LYS   8          3HZ       LYS   8   5.127   1.683   8.570
   82    H    LEU   9           H        LEU   9  -0.727   0.727   2.187
   83    HA   LEU   9           HA       LEU   9  -1.141  -2.058   2.899
   84   1HB   LEU   9          1HB       LEU   9  -2.915  -0.005   1.564
   85   2HB   LEU   9          2HB       LEU   9  -3.418  -1.671   1.887
   86    HG   LEU   9           HG       LEU   9  -2.536   0.285   4.049
   87   1HD1  LEU   9          1HD1      LEU   9  -4.728   0.887   2.906
   88   2HD1  LEU   9          2HD1      LEU   9  -5.332  -0.699   3.360
   89   3HD1  LEU   9          3HD1      LEU   9  -4.901   0.464   4.620
   90   1HD2  LEU   9          1HD2      LEU   9  -3.775  -2.510   4.159
   91   2HD2  LEU   9          2HD2      LEU   9  -2.191  -2.023   4.809
   92   3HD2  LEU   9          3HD2      LEU   9  -3.669  -1.414   5.550
   93    H    GLU  10           H        GLU  10  -0.850  -0.300  -0.234
   94    HA   GLU  10           HA       GLU  10  -1.585  -2.412  -1.938
   95   1HB   GLU  10          1HB       GLU  10   0.558  -0.296  -2.337
   96   2HB   GLU  10          2HB       GLU  10  -0.078  -1.319  -3.575
   97   1HG   GLU  10          1HG       GLU  10  -1.872   0.631  -2.081
   98   2HG   GLU  10          2HG       GLU  10  -0.953   1.027  -3.532
   99    H    LEU  11           H        LEU  11   1.548  -1.693  -0.364
  100    HA   LEU  11           HA       LEU  11   3.096  -3.694  -1.637
  101   1HB   LEU  11          1HB       LEU  11   3.995  -1.975  -0.049
  102   2HB   LEU  11          2HB       LEU  11   3.145  -2.777   1.277
  103    HG   LEU  11           HG       LEU  11   4.544  -4.842   0.882
  104   1HD1  LEU  11          1HD1      LEU  11   5.275  -4.403  -1.447
  105   2HD1  LEU  11          2HD1      LEU  11   6.120  -2.933  -0.911
  106   3HD1  LEU  11          3HD1      LEU  11   6.668  -4.532  -0.366
  107   1HD2  LEU  11          1HD2      LEU  11   5.990  -2.256   1.575
  108   2HD2  LEU  11          2HD2      LEU  11   5.007  -3.242   2.680
  109   3HD2  LEU  11          3HD2      LEU  11   6.511  -3.899   2.014
  110    H    GLN  12           H        GLN  12   1.011  -4.039   1.285
  111    HA   GLN  12           HA       GLN  12   1.595  -6.862   1.559
  112   1HB   GLN  12          1HB       GLN  12  -0.705  -5.158   2.630
  113   2HB   GLN  12          2HB       GLN  12  -0.601  -6.895   2.859
  114   1HG   GLN  12          1HG       GLN  12   0.293  -6.043   4.835
  115   2HG   GLN  12          2HG       GLN  12   1.685  -6.613   3.907
  116   1HE2  GLN  12          2HE2      GLN  12  -0.350  -3.659   4.218
  117   2HE2  GLN  12          1HE2      GLN  12   1.002  -2.552   4.026
  118    H    LEU  13           H        LEU  13  -0.627  -5.081  -0.545
  119    HA   LEU  13           HA       LEU  13  -2.283  -7.418  -1.034
  120   1HB   LEU  13          1HB       LEU  13  -2.097  -4.857  -2.650
  121   2HB   LEU  13          2HB       LEU  13  -3.274  -6.156  -2.796
  122    HG   LEU  13           HG       LEU  13  -2.971  -4.128  -0.587
  123   1HD1  LEU  13          1HD1      LEU  13  -4.471  -3.795  -2.602
  124   2HD1  LEU  13          2HD1      LEU  13  -5.390  -5.217  -2.047
  125   3HD1  LEU  13          3HD1      LEU  13  -5.335  -3.770  -1.041
  126   1HD2  LEU  13          1HD2      LEU  13  -4.528  -6.752  -0.368
  127   2HD2  LEU  13          2HD2      LEU  13  -3.209  -6.214   0.705
  128   3HD2  LEU  13          3HD2      LEU  13  -4.742  -5.347   0.691
  129    H    ILE  14           H        ILE  14   0.384  -5.767  -2.793
  130    HA   ILE  14           HA       ILE  14   0.588  -7.703  -4.927
  131    HB   ILE  14           HB       ILE  14   2.702  -5.986  -3.478
  132   1HG1  ILE  14          1HG1      ILE  14   1.070  -4.586  -4.475
  133   2HG1  ILE  14          2HG1      ILE  14   2.488  -4.556  -5.510
  134   1HG2  ILE  14          1HG2      ILE  14   3.900  -7.779  -4.624
  135   2HG2  ILE  14          2HG2      ILE  14   2.965  -7.537  -6.105
  136   3HG2  ILE  14          3HG2      ILE  14   4.084  -6.284  -5.541
  137   1HD1  ILE  14          1HD1      ILE  14   1.239  -6.423  -6.882
  138   2HD1  ILE  14          2HD1      ILE  14  -0.193  -5.897  -5.965
  139   3HD1  ILE  14          3HD1      ILE  14   0.665  -4.763  -7.008
  140    H    LYS  15           H        LYS  15   2.300  -7.568  -1.888
  141    HA   LYS  15           HA       LYS  15   3.408 -10.132  -1.958
  142   1HB   LYS  15          1HB       LYS  15   3.504  -8.175  -0.137
  143   2HB   LYS  15          2HB       LYS  15   2.285  -9.152   0.668
  144   1HG   LYS  15          1HG       LYS  15   4.467  -9.650   1.533
  145   2HG   LYS  15          2HG       LYS  15   3.923 -11.082   0.645
  146   1HD   LYS  15          1HD       LYS  15   5.411 -10.676  -1.169
  147   2HD   LYS  15          2HD       LYS  15   5.616  -8.969  -0.763
  148   1HE   LYS  15          1HE       LYS  15   6.661 -11.267   0.955
  149   2HE   LYS  15          2HE       LYS  15   7.608 -10.424  -0.283
  150   1HZ   LYS  15          1HZ       LYS  15   7.276  -8.386   0.900
  151   2HZ   LYS  15          2HZ       LYS  15   6.422  -9.153   2.080
  152   3HZ   LYS  15          3HZ       LYS  15   8.016  -9.504   1.854
  153    H    GLN  16           H        GLN  16   0.096  -9.358  -0.760
  154    HA   GLN  16           HA       GLN  16  -0.517 -12.131  -0.096
  155   1HB   GLN  16          1HB       GLN  16  -2.106  -9.569  -0.256
  156   2HB   GLN  16          2HB       GLN  16  -2.957 -11.085  -0.455
  157   1HG   GLN  16          1HG       GLN  16  -3.126 -10.516   1.814
  158   2HG   GLN  16          2HG       GLN  16  -2.104 -11.944   1.689
  159   1HE2  GLN  16          2HE2      GLN  16   0.422 -11.244   1.527
  160   2HE2  GLN  16          1HE2      GLN  16   0.861 -10.050   2.740
  161    H    TYR  17           H        TYR  17  -0.671 -10.186  -3.014
  162    HA   TYR  17           HA       TYR  17  -2.447 -11.846  -4.539
  163   1HB   TYR  17          1HB       TYR  17  -0.498  -9.664  -5.088
  164   2HB   TYR  17          2HB       TYR  17  -0.781 -10.784  -6.364
  165    HD1  TYR  17           HD1      TYR  17  -1.717  -7.674  -5.279
  166    HD2  TYR  17           HD2      TYR  17  -3.312 -11.307  -6.951
  167    HE1  TYR  17           HE1      TYR  17  -3.558  -6.396  -6.288
  168    HE2  TYR  17           HE2      TYR  17  -5.215 -10.034  -7.883
  169    HH   TYR  17           HH       TYR  17  -6.303  -7.939  -7.952
  170    H    ARG  18           H        ARG  18   0.870 -12.162  -3.562
  171    HA   ARG  18           HA       ARG  18   1.514 -14.141  -5.644
  172   1HB   ARG  18          1HB       ARG  18   3.124 -13.131  -3.263
  173   2HB   ARG  18          2HB       ARG  18   3.642 -14.383  -4.402
  174   1HG   ARG  18          1HG       ARG  18   3.259 -12.693  -6.288
  175   2HG   ARG  18          2HG       ARG  18   3.000 -11.490  -5.027
  176   1HD   ARG  18          1HD       ARG  18   5.221 -11.148  -5.442
  177   2HD   ARG  18          2HD       ARG  18   5.391 -12.326  -4.151
  178    HE   ARG  18           HE       ARG  18   5.887 -12.596  -7.058
  179   1HH1  ARG  18          1HH2      ARG  18   5.682 -14.371  -4.010
  180   2HH1  ARG  18          2HH2      ARG  18   6.557 -15.756  -4.597
  181   1HH2  ARG  18          1HH1      ARG  18   7.034 -14.364  -7.828
  182   2HH2  ARG  18          2HH1      ARG  18   7.352 -15.747  -6.820
  183    H    GLU  19           H        GLU  19   0.374 -13.989  -2.352
  184    HA   GLU  19           HA       GLU  19   0.680 -16.837  -1.847
  185   1HB   GLU  19          1HB       GLU  19   0.388 -14.972  -0.079
  186   2HB   GLU  19          2HB       GLU  19  -1.333 -15.023  -0.502
  187   1HG   GLU  19          1HG       GLU  19  -1.295 -17.507  -0.053
  188   2HG   GLU  19          2HG       GLU  19   0.383 -17.339   0.495
  189    H    ALA  20           H        ALA  20  -2.018 -14.633  -2.855
  190    HA   ALA  20           HA       ALA  20  -3.905 -16.803  -3.032
  191   1HB   ALA  20          1HB       ALA  20  -4.499 -14.395  -2.813
  192   2HB   ALA  20          2HB       ALA  20  -3.951 -14.172  -4.510
  193   3HB   ALA  20          3HB       ALA  20  -5.349 -15.203  -4.146
  194    H    LEU  21           H        LEU  21  -1.617 -15.410  -5.378
  195    HA   LEU  21           HA       LEU  21  -2.350 -16.448  -7.767
  196   1HB   LEU  21          1HB       LEU  21  -0.220 -15.214  -7.317
  197   2HB   LEU  21          2HB       LEU  21   0.418 -16.652  -6.510
  198    HG   LEU  21           HG       LEU  21   0.276 -17.909  -8.681
  199   1HD1  LEU  21          1HD1      LEU  21  -1.491 -16.656  -9.806
  200   2HD1  LEU  21          2HD1      LEU  21  -0.538 -15.164  -9.682
  201   3HD1  LEU  21          3HD1      LEU  21  -0.011 -16.489 -10.752
  202   1HD2  LEU  21          1HD2      LEU  21   1.882 -15.323  -8.691
  203   2HD2  LEU  21          2HD2      LEU  21   2.366 -16.868  -7.963
  204   3HD2  LEU  21          3HD2      LEU  21   2.186 -16.740  -9.721
  205    H    GLU  22           H        GLU  22  -0.945 -18.327  -5.061
  206    HA   GLU  22           HA       GLU  22  -0.559 -20.669  -6.743
  207   1HB   GLU  22          1HB       GLU  22  -0.250 -20.394  -3.719
  208   2HB   GLU  22          2HB       GLU  22   0.299 -21.719  -4.756
  209   1HG   GLU  22          1HG       GLU  22   1.535 -19.710  -6.060
  210   2HG   GLU  22          2HG       GLU  22   1.393 -18.916  -4.485
  211    H    TYR  23           H        TYR  23  -2.689 -19.694  -4.035
  212    HA   TYR  23           HA       TYR  23  -4.189 -22.086  -3.865
  213   1HB   TYR  23          1HB       TYR  23  -4.640 -19.156  -3.181
  214   2HB   TYR  23          2HB       TYR  23  -5.918 -20.316  -2.976
  215    HD1  TYR  23           HD1      TYR  23  -3.236 -18.785  -1.284
  216    HD2  TYR  23           HD2      TYR  23  -5.244 -22.578  -1.716
  217    HE1  TYR  23           HE1      TYR  23  -2.450 -19.463   0.963
  218    HE2  TYR  23           HE2      TYR  23  -4.423 -23.263   0.521
  219    HH   TYR  23           HH       TYR  23  -2.461 -21.099   2.571
  220    H    VAL  24           H        VAL  24  -4.626 -19.182  -5.870
  221    HA   VAL  24           HA       VAL  24  -7.093 -20.326  -7.050
  222    HB   VAL  24           HB       VAL  24  -5.762 -17.638  -7.484
  223   1HG1  VAL  24          1HG1      VAL  24  -7.200 -18.127  -9.393
  224   2HG1  VAL  24          2HG1      VAL  24  -8.467 -18.783  -8.335
  225   3HG1  VAL  24          3HG1      VAL  24  -8.107 -17.051  -8.324
  226   1HG2  VAL  24          1HG2      VAL  24  -8.136 -18.449  -5.752
  227   2HG2  VAL  24          2HG2      VAL  24  -6.559 -17.897  -5.152
  228   3HG2  VAL  24          3HG2      VAL  24  -7.592 -16.786  -6.048
  229    H    LYS  25           H        LYS  25  -3.719 -20.325  -7.677
  230    HA   LYS  25           HA       LYS  25  -2.439 -21.021  -9.364
  231   1HB   LYS  25          1HB       LYS  25  -3.022 -23.250 -10.196
  232   2HB   LYS  25          2HB       LYS  25  -3.123 -23.082  -8.444
  233   1HG   LYS  25          1HG       LYS  25  -5.573 -22.963  -8.531
  234   2HG   LYS  25          2HG       LYS  25  -5.519 -22.989 -10.302
  235   1HD   LYS  25          1HD       LYS  25  -4.238 -25.270  -9.990
  236   2HD   LYS  25          2HD       LYS  25  -4.765 -25.161  -8.303
  237   1HE   LYS  25          1HE       LYS  25  -6.382 -26.516  -9.490
  238   2HE   LYS  25          2HE       LYS  25  -7.158 -24.959  -9.141
  239   1HZ   LYS  25          1HZ       LYS  25  -6.650 -24.291 -11.388
  240   2HZ   LYS  25          2HZ       LYS  25  -5.907 -25.725 -11.693
  241   3HZ   LYS  25          3HZ       LYS  25  -7.528 -25.683 -11.397
  242    H    LEU  26           H        LEU  26  -3.402 -18.841 -10.367
  243    HA   LEU  26           HA       LEU  26  -3.932 -19.566 -13.179
  244   1HB   LEU  26          1HB       LEU  26  -5.936 -18.630 -11.439
  245   2HB   LEU  26          2HB       LEU  26  -5.483 -17.192 -12.319
  246    HG   LEU  26           HG       LEU  26  -5.825 -19.513 -14.138
  247   1HD1  LEU  26          1HD1      LEU  26  -7.364 -20.284 -12.403
  248   2HD1  LEU  26          2HD1      LEU  26  -8.195 -18.713 -12.415
  249   3HD1  LEU  26          3HD1      LEU  26  -8.238 -19.759 -13.852
  250   1HD2  LEU  26          1HD2      LEU  26  -7.260 -16.838 -13.910
  251   2HD2  LEU  26          2HD2      LEU  26  -5.788 -17.160 -14.862
  252   3HD2  LEU  26          3HD2      LEU  26  -7.317 -17.948 -15.292
  253    HA   PRO  27           HA       PRO  27  -0.560 -16.674 -13.447
  254   1HB   PRO  27          1HB       PRO  27  -0.468 -16.239 -16.163
  255   2HB   PRO  27          2HB       PRO  27   0.122 -17.727 -15.373
  256   1HG   PRO  27          1HG       PRO  27  -2.573 -17.275 -16.679
  257   2HG   PRO  27          2HG       PRO  27  -1.460 -18.654 -16.912
  258   1HD   PRO  27          1HD       PRO  27  -3.562 -18.808 -15.221
  259   2HD   PRO  27          2HD       PRO  27  -1.999 -19.554 -14.765
  260    H    VAL  28           H        VAL  28  -3.793 -16.044 -14.773
  261    HA   VAL  28           HA       VAL  28  -3.573 -13.325 -15.344
  262    HB   VAL  28           HB       VAL  28  -5.882 -14.852 -14.224
  263   1HG1  VAL  28          1HG1      VAL  28  -6.337 -12.519 -13.795
  264   2HG1  VAL  28          2HG1      VAL  28  -5.780 -12.055 -15.418
  265   3HG1  VAL  28          3HG1      VAL  28  -7.274 -12.991 -15.215
  266   1HG2  VAL  28          1HG2      VAL  28  -5.221 -13.949 -17.071
  267   2HG2  VAL  28          2HG2      VAL  28  -5.022 -15.609 -16.485
  268   3HG2  VAL  28          3HG2      VAL  28  -6.637 -14.897 -16.577
  269    H    LEU  29           H        LEU  29  -3.757 -14.880 -12.065
  270    HA   LEU  29           HA       LEU  29  -4.294 -12.389 -10.714
  271   1HB   LEU  29          1HB       LEU  29  -3.307 -15.156  -9.924
  272   2HB   LEU  29          2HB       LEU  29  -3.009 -13.787  -8.894
  273    HG   LEU  29           HG       LEU  29  -5.618 -13.305  -9.218
  274   1HD1  LEU  29          1HD1      LEU  29  -5.961 -15.140 -10.848
  275   2HD1  LEU  29          2HD1      LEU  29  -5.363 -16.318  -9.656
  276   3HD1  LEU  29          3HD1      LEU  29  -6.868 -15.430  -9.353
  277   1HD2  LEU  29          1HD2      LEU  29  -4.532 -15.458  -7.370
  278   2HD2  LEU  29          2HD2      LEU  29  -4.506 -13.705  -7.073
  279   3HD2  LEU  29          3HD2      LEU  29  -6.053 -14.561  -7.168
  280    H    ALA  30           H        ALA  30  -1.342 -14.283 -11.482
  281    HA   ALA  30           HA       ALA  30   0.428 -12.375 -10.443
  282   1HB   ALA  30          1HB       ALA  30   1.299 -14.553 -11.080
  283   2HB   ALA  30          2HB       ALA  30   0.907 -14.263 -12.791
  284   3HB   ALA  30          3HB       ALA  30   2.159 -13.306 -11.985
  285    H    LYS  31           H        LYS  31  -1.273 -12.369 -13.564
  286    HA   LYS  31           HA       LYS  31   0.340 -10.096 -14.519
  287   1HB   LYS  31          1HB       LYS  31  -2.017 -11.588 -15.630
  288   2HB   LYS  31          2HB       LYS  31  -1.730  -9.926 -16.134
  289   1HG   LYS  31          1HG       LYS  31  -0.708 -11.300 -17.726
  290   2HG   LYS  31          2HG       LYS  31   0.562 -10.452 -16.862
  291   1HD   LYS  31          1HD       LYS  31  -0.254 -13.259 -16.029
  292   2HD   LYS  31          2HD       LYS  31   0.720 -13.050 -17.481
  293   1HE   LYS  31          1HE       LYS  31   1.580 -12.077 -14.717
  294   2HE   LYS  31          2HE       LYS  31   2.088 -13.577 -15.487
  295   1HZ   LYS  31          1HZ       LYS  31   3.035 -12.261 -17.256
  296   2HZ   LYS  31          2HZ       LYS  31   2.592 -10.865 -16.494
  297   3HZ   LYS  31          3HZ       LYS  31   3.682 -11.871 -15.793
  298    H    ILE  32           H        ILE  32  -2.624 -10.487 -12.607
  299    HA   ILE  32           HA       ILE  32  -3.400  -7.701 -13.011
  300    HB   ILE  32           HB       ILE  32  -4.205  -9.881 -11.044
  301   1HG1  ILE  32          1HG1      ILE  32  -5.785  -8.405 -13.212
  302   2HG1  ILE  32          2HG1      ILE  32  -4.947  -9.919 -13.512
  303   1HG2  ILE  32          1HG2      ILE  32  -4.335  -7.733  -9.863
  304   2HG2  ILE  32          2HG2      ILE  32  -5.144  -7.012 -11.251
  305   3HG2  ILE  32          3HG2      ILE  32  -5.970  -8.249 -10.280
  306   1HD1  ILE  32          1HD1      ILE  32  -6.303 -11.014 -11.718
  307   2HD1  ILE  32          2HD1      ILE  32  -7.240  -9.510 -11.555
  308   3HD1  ILE  32          3HD1      ILE  32  -7.251 -10.391 -13.085
  309    H    LEU  33           H        LEU  33  -1.646  -9.627 -10.553
  310    HA   LEU  33           HA       LEU  33  -1.342  -7.533  -8.678
  311   1HB   LEU  33          1HB       LEU  33  -0.075  -8.950  -7.482
  312   2HB   LEU  33          2HB       LEU  33  -1.094 -10.027  -8.464
  313    HG   LEU  33           HG       LEU  33   0.860 -10.370  -9.927
  314   1HD1  LEU  33          1HD1      LEU  33   2.661  -9.087  -9.704
  315   2HD1  LEU  33          2HD1      LEU  33   2.062  -8.403  -8.171
  316   3HD1  LEU  33          3HD1      LEU  33   2.987  -9.922  -8.179
  317   1HD2  LEU  33          1HD2      LEU  33   1.238 -11.130  -7.019
  318   2HD2  LEU  33          2HD2      LEU  33   0.082 -11.922  -8.120
  319   3HD2  LEU  33          3HD2      LEU  33   1.823 -12.029  -8.433
  320    H    GLU  34           H        GLU  34   0.679  -8.688 -11.451
  321    HA   GLU  34           HA       GLU  34   2.907  -7.012 -11.134
  322   1HB   GLU  34          1HB       GLU  34   2.581  -8.956 -12.782
  323   2HB   GLU  34          2HB       GLU  34   1.713  -7.831 -13.806
  324   1HG   GLU  34          1HG       GLU  34   4.070  -6.432 -13.206
  325   2HG   GLU  34          2HG       GLU  34   4.617  -8.105 -13.300
  326    H    ASP  35           H        ASP  35   0.007  -6.544 -13.168
  327    HA   ASP  35           HA       ASP  35   0.768  -4.018 -14.191
  328   1HB   ASP  35          1HB       ASP  35  -1.126  -5.451 -15.039
  329   2HB   ASP  35          2HB       ASP  35  -2.099  -4.877 -13.670
  330    H    GLU  36           H        GLU  36  -1.162  -4.832 -11.267
  331    HA   GLU  36           HA       GLU  36  -1.612  -2.153 -10.412
  332   1HB   GLU  36          1HB       GLU  36  -1.211  -4.692  -8.769
  333   2HB   GLU  36          2HB       GLU  36  -1.876  -3.178  -8.151
  334   1HG   GLU  36          1HG       GLU  36  -3.220  -4.631 -10.471
  335   2HG   GLU  36          2HG       GLU  36  -3.521  -5.059  -8.784
  336    H    GLU  37           H        GLU  37   1.186  -4.374  -9.873
  337    HA   GLU  37           HA       GLU  37   2.544  -2.994  -7.976
  338   1HB   GLU  37          1HB       GLU  37   2.945  -5.225  -9.486
  339   2HB   GLU  37          2HB       GLU  37   4.149  -4.192 -10.242
  340   1HG   GLU  37          1HG       GLU  37   3.938  -4.508  -7.234
  341   2HG   GLU  37          2HG       GLU  37   4.625  -5.775  -8.241
  342    H    LYS  38           H        LYS  38   2.543  -2.318 -11.489
  343    HA   LYS  38           HA       LYS  38   4.546  -0.252 -11.320
  344   1HB   LYS  38          1HB       LYS  38   3.734  -1.552 -13.391
  345   2HB   LYS  38          2HB       LYS  38   2.271  -0.573 -13.327
  346   1HG   LYS  38          1HG       LYS  38   3.654   0.493 -14.936
  347   2HG   LYS  38          2HG       LYS  38   3.803   1.502 -13.492
  348   1HD   LYS  38          1HD       LYS  38   5.957   0.206 -12.942
  349   2HD   LYS  38          2HD       LYS  38   5.779  -0.595 -14.512
  350   1HE   LYS  38          1HE       LYS  38   5.834   1.694 -15.597
  351   2HE   LYS  38          2HE       LYS  38   6.097   2.402 -13.989
  352   1HZ   LYS  38          1HZ       LYS  38   8.100   1.120 -13.818
  353   2HZ   LYS  38          2HZ       LYS  38   7.871   0.482 -15.322
  354   3HZ   LYS  38          3HZ       LYS  38   8.143   2.097 -15.142
  355    H    HIS  39           H        HIS  39   0.982  -0.130 -11.106
  356    HA   HIS  39           HA       HIS  39   0.859   2.772 -11.016
  357   1HB   HIS  39          1HB       HIS  39  -1.009   0.534 -10.122
  358   2HB   HIS  39          2HB       HIS  39  -1.313   2.225  -9.774
  359    HD1  HIS  39           HD1      HIS  39  -3.550   1.748 -11.403
  360    HD2  HIS  39           HD2      HIS  39   0.284   1.940 -13.173
  361    HE1  HIS  39           HE1      HIS  39  -3.886   2.336 -13.875
  362    HE2  HIS  39           HE2      HIS  39  -1.569   2.375 -14.948
  363    H    ILE  40           H        ILE  40   1.073   0.234  -8.570
  364    HA   ILE  40           HA       ILE  40   0.954   1.886  -6.261
  365    HB   ILE  40           HB       ILE  40   2.211  -0.836  -6.763
  366   1HG1  ILE  40          1HG1      ILE  40  -0.379  -0.157  -5.352
  367   2HG1  ILE  40          2HG1      ILE  40  -0.389  -0.363  -7.073
  368   1HG2  ILE  40          1HG2      ILE  40   3.182   0.134  -4.717
  369   2HG2  ILE  40          2HG2      ILE  40   1.568   0.575  -4.135
  370   3HG2  ILE  40          3HG2      ILE  40   2.048  -1.132  -4.277
  371   1HD1  ILE  40          1HD1      ILE  40   0.426  -2.597  -6.967
  372   2HD1  ILE  40          2HD1      ILE  40   0.605  -2.542  -5.218
  373   3HD1  ILE  40          3HD1      ILE  40  -1.013  -2.449  -5.946
  374    H    GLU  41           H        GLU  41   3.686   0.630  -8.158
  375    HA   GLU  41           HA       GLU  41   5.834   1.773  -6.858
  376   1HB   GLU  41          1HB       GLU  41   5.871   0.209  -8.891
  377   2HB   GLU  41          2HB       GLU  41   5.604   1.655  -9.884
  378   1HG   GLU  41          1HG       GLU  41   7.683   2.637  -8.772
  379   2HG   GLU  41          2HG       GLU  41   7.945   1.029  -8.071
  380    H    TRP  42           H        TRP  42   3.589   3.364  -9.249
  381    HA   TRP  42           HA       TRP  42   4.994   5.738  -9.532
  382   1HB   TRP  42          1HB       TRP  42   2.795   4.799 -10.597
  383   2HB   TRP  42          2HB       TRP  42   1.999   5.708  -9.327
  384    HD1  TRP  42           HD1      TRP  42   4.065   6.190 -12.465
  385    HE1  TRP  42           HE1      TRP  42   3.956   8.682 -13.247
  386    HE3  TRP  42           HE3      TRP  42   1.691   8.027  -8.435
  387    HZ2  TRP  42           HZ2      TRP  42   2.937  11.183 -12.124
  388    HZ3  TRP  42           HZ3      TRP  42   1.124  10.477  -8.253
  389    HH2  TRP  42           HH2      TRP  42   1.781  12.043 -10.079
  390    H    LEU  43           H        LEU  43   2.899   4.660  -6.895
  391    HA   LEU  43           HA       LEU  43   3.003   7.211  -5.428
  392   1HB   LEU  43          1HB       LEU  43   2.183   4.455  -4.412
  393   2HB   LEU  43          2HB       LEU  43   2.117   5.983  -3.551
  394    HG   LEU  43           HG       LEU  43   0.685   6.612  -5.846
  395   1HD1  LEU  43          1HD1      LEU  43   0.720   4.190  -6.498
  396   2HD1  LEU  43          2HD1      LEU  43  -0.082   3.770  -4.974
  397   3HD1  LEU  43          3HD1      LEU  43  -0.919   4.768  -6.178
  398   1HD2  LEU  43          1HD2      LEU  43  -0.277   5.437  -3.190
  399   2HD2  LEU  43          2HD2      LEU  43   0.082   7.150  -3.480
  400   3HD2  LEU  43          3HD2      LEU  43  -1.288   6.386  -4.300
  401    H    GLU  44           H        GLU  44   4.617   4.009  -5.296
  402    HA   GLU  44           HA       GLU  44   6.314   4.836  -3.050
  403   1HB   GLU  44          1HB       GLU  44   6.598   2.361  -4.794
  404   2HB   GLU  44          2HB       GLU  44   7.356   2.687  -3.236
  405   1HG   GLU  44          1HG       GLU  44   4.996   2.895  -2.273
  406   2HG   GLU  44          2HG       GLU  44   4.409   2.162  -3.770
  407    H    THR  45           H        THR  45   6.452   6.437  -5.589
  408    HA   THR  45           HA       THR  45   9.372   6.647  -5.523
  409    HB   THR  45           HB       THR  45   8.611   5.054  -7.378
  410    HG1  THR  45           HG1      THR  45  10.359   5.661  -8.530
  411   1HG2  THR  45          1HG2      THR  45   6.814   6.367  -8.375
  412   2HG2  THR  45          2HG2      THR  45   8.000   7.567  -8.939
  413   3HG2  THR  45          3HG2      THR  45   8.049   5.893  -9.530
  414    H    ILE  46           H        ILE  46   6.404   7.754  -7.070
  415    HA   ILE  46           HA       ILE  46   5.539   9.757  -7.489
  416    HB   ILE  46           HB       ILE  46   4.820   9.294  -5.260
  417   1HG1  ILE  46          1HG1      ILE  46   4.167  11.499  -4.491
  418   2HG1  ILE  46          2HG1      ILE  46   5.339  12.270  -5.567
  419   1HG2  ILE  46          1HG2      ILE  46   6.848   9.135  -3.966
  420   2HG2  ILE  46          2HG2      ILE  46   7.188  10.866  -4.186
  421   3HG2  ILE  46          3HG2      ILE  46   5.782  10.336  -3.253
  422   1HD1  ILE  46          1HD1      ILE  46   4.112  11.456  -7.531
  423   2HD1  ILE  46          2HD1      ILE  46   3.067  10.453  -6.492
  424   3HD1  ILE  46          3HD1      ILE  46   2.967  12.224  -6.423
  425    H    LEU  47           H        LEU  47   7.389   9.928  -8.918
  426    HA   LEU  47           HA       LEU  47   8.763  11.191 -10.126
  427   1HB   LEU  47          1HB       LEU  47   7.528  13.244  -9.304
  428   2HB   LEU  47          2HB       LEU  47   8.720  13.369  -8.002
  429    HG   LEU  47           HG       LEU  47  10.541  13.470  -9.777
  430   1HD1  LEU  47          1HD1      LEU  47   9.290  12.612 -11.736
  431   2HD1  LEU  47          2HD1      LEU  47   8.129  13.951 -11.594
  432   3HD1  LEU  47          3HD1      LEU  47   9.823  14.269 -12.021
  433   1HD2  LEU  47          1HD2      LEU  47   8.447  15.678  -9.695
  434   2HD2  LEU  47          2HD2      LEU  47   9.767  15.431  -8.529
  435   3HD2  LEU  47          3HD2      LEU  47  10.142  15.859 -10.207
  436    H    GLY  48           H        GLY  48   9.555  11.467  -6.646
  437   1HA   GLY  48          1HA       GLY  48  11.403  10.081  -5.808
  438   2HA   GLY  48          2HA       GLY  48  12.358  10.535  -7.228
  439   1HN   NH2  49          1HN       NH2  49  12.023  11.204  -4.011
  440   2HN   NH2  49          2HN       NH2  49  12.532  12.914  -3.996
  441   1H    ACE   0          H1        ACE   0 -13.755 -16.707  -0.162
  442   2H    ACE   0          H2        ACE   0 -13.725 -17.587   1.380
  443   3H    ACE   0          H3        ACE   0 -12.656 -18.087   0.048
  444    H    ASP   1           H        ASP   1 -11.231 -17.790   2.162
  445    HA   ASP   1           HA       ASP   1 -10.550 -15.317   3.210
  446   1HB   ASP   1          1HB       ASP   1  -9.718 -17.446   4.120
  447   2HB   ASP   1          2HB       ASP   1  -8.699 -17.685   2.686
  448    H    TYR   2           H        TYR   2  -9.044 -16.917   0.367
  449    HA   TYR   2           HA       TYR   2  -7.169 -15.097  -0.408
  450   1HB   TYR   2          1HB       TYR   2  -9.118 -16.352  -2.358
  451   2HB   TYR   2          2HB       TYR   2  -7.407 -16.029  -2.551
  452    HD1  TYR   2           HD1      TYR   2  -9.355 -18.657  -2.734
  453    HD2  TYR   2           HD2      TYR   2  -6.229 -17.285  -0.087
  454    HE1  TYR   2           HE1      TYR   2  -9.074 -20.953  -1.862
  455    HE2  TYR   2           HE2      TYR   2  -6.015 -19.557   0.829
  456    HH   TYR   2           HH       TYR   2  -6.713 -21.757   0.684
  457    H    LEU   3           H        LEU   3 -10.689 -14.927  -0.992
  458    HA   LEU   3           HA       LEU   3 -10.423 -12.466  -2.467
  459   1HB   LEU   3          1HB       LEU   3 -12.912 -13.878  -1.392
  460   2HB   LEU   3          2HB       LEU   3 -12.937 -12.532  -2.531
  461    HG   LEU   3           HG       LEU   3 -11.602 -15.210  -3.156
  462   1HD1  LEU   3          1HD1      LEU   3 -13.988 -15.573  -2.719
  463   2HD1  LEU   3          2HD1      LEU   3 -14.411 -14.263  -3.844
  464   3HD1  LEU   3          3HD1      LEU   3 -13.629 -15.739  -4.447
  465   1HD2  LEU   3          1HD2      LEU   3 -12.533 -12.911  -4.943
  466   2HD2  LEU   3          2HD2      LEU   3 -10.842 -13.305  -4.564
  467   3HD2  LEU   3          3HD2      LEU   3 -11.827 -14.438  -5.499
  468    H    ARG   4           H        ARG   4 -11.350 -13.302   0.867
  469    HA   ARG   4           HA       ARG   4 -11.995 -10.650   1.702
  470   1HB   ARG   4          1HB       ARG   4 -10.356 -12.739   3.184
  471   2HB   ARG   4          2HB       ARG   4 -10.991 -11.276   3.893
  472   1HG   ARG   4          1HG       ARG   4 -12.830 -13.348   2.598
  473   2HG   ARG   4          2HG       ARG   4 -12.252 -13.469   4.265
  474   1HD   ARG   4          1HD       ARG   4 -13.145 -11.124   4.655
  475   2HD   ARG   4          2HD       ARG   4 -14.003 -11.278   3.099
  476    HE   ARG   4           HE       ARG   4 -14.644 -13.585   4.470
  477   1HH1  ARG   4          1HH2      ARG   4 -15.009 -10.145   5.115
  478   2HH1  ARG   4          2HH2      ARG   4 -16.236 -10.346   6.340
  479   1HH2  ARG   4          1HH1      ARG   4 -16.224 -13.889   6.071
  480   2HH2  ARG   4          2HH1      ARG   4 -16.962 -12.537   6.878
  481    H    GLU   5           H        GLU   5  -8.931 -12.177   0.810
  482    HA   GLU   5           HA       GLU   5  -7.301 -10.024   1.951
  483   1HB   GLU   5          1HB       GLU   5  -6.565 -12.454   0.288
  484   2HB   GLU   5          2HB       GLU   5  -5.412 -11.278   0.916
  485   1HG   GLU   5          1HG       GLU   5  -5.956 -11.806   3.206
  486   2HG   GLU   5          2HG       GLU   5  -7.334 -12.799   2.737
  487    H    LEU   6           H        LEU   6  -8.204 -11.122  -1.335
  488    HA   LEU   6           HA       LEU   6  -6.913  -8.648  -2.403
  489   1HB   LEU   6          1HB       LEU   6  -7.531 -11.306  -3.603
  490   2HB   LEU   6          2HB       LEU   6  -6.914  -9.921  -4.536
  491    HG   LEU   6           HG       LEU   6  -5.414 -11.076  -2.129
  492   1HD1  LEU   6          1HD1      LEU   6  -5.823 -12.673  -3.980
  493   2HD1  LEU   6          2HD1      LEU   6  -4.884 -11.591  -5.027
  494   3HD1  LEU   6          3HD1      LEU   6  -4.162 -12.267  -3.525
  495   1HD2  LEU   6          1HD2      LEU   6  -4.713  -9.043  -4.267
  496   2HD2  LEU   6          2HD2      LEU   6  -4.721  -8.792  -2.514
  497   3HD2  LEU   6          3HD2      LEU   6  -3.520  -9.858  -3.233
  498    H    LEU   7           H        LEU   7  -9.702  -8.737  -1.222
  499    HA   LEU   7           HA       LEU   7 -10.939  -7.367  -3.453
  500   1HB   LEU   7          1HB       LEU   7 -11.716  -9.850  -3.296
  501   2HB   LEU   7          2HB       LEU   7 -12.613  -9.329  -1.858
  502    HG   LEU   7           HG       LEU   7 -13.001  -8.266  -4.670
  503   1HD1  LEU   7          1HD1      LEU   7 -13.736 -10.571  -4.419
  504   2HD1  LEU   7          2HD1      LEU   7 -14.529 -10.212  -2.870
  505   3HD1  LEU   7          3HD1      LEU   7 -15.182  -9.543  -4.364
  506   1HD2  LEU   7          1HD2      LEU   7 -14.474  -7.670  -2.055
  507   2HD2  LEU   7          2HD2      LEU   7 -13.614  -6.502  -3.092
  508   3HD2  LEU   7          3HD2      LEU   7 -15.090  -7.268  -3.671
  509    H    LYS   8           H        LYS   8 -11.599  -8.437  -0.064
  510    HA   LYS   8           HA       LYS   8 -12.938  -6.059   0.512
  511   1HB   LYS   8          1HB       LYS   8 -12.704  -8.419   1.826
  512   2HB   LYS   8          2HB       LYS   8 -11.570  -7.461   2.792
  513   1HG   LYS   8          1HG       LYS   8 -13.438  -5.719   2.992
  514   2HG   LYS   8          2HG       LYS   8 -14.505  -6.901   2.199
  515   1HD   LYS   8          1HD       LYS   8 -13.760  -8.554   4.058
  516   2HD   LYS   8          2HD       LYS   8 -13.082  -7.148   4.889
  517   1HE   LYS   8          1HE       LYS   8 -16.006  -7.617   4.114
  518   2HE   LYS   8          2HE       LYS   8 -15.329  -7.592   5.753
  519   1HZ   LYS   8          1HZ       LYS   8 -14.800  -5.275   5.418
  520   2HZ   LYS   8          2HZ       LYS   8 -15.460  -5.309   3.909
  521   3HZ   LYS   8          3HZ       LYS   8 -16.414  -5.550   5.227
  522    H    LEU   9           H        LEU   9  -9.593  -7.100   1.185
  523    HA   LEU   9           HA       LEU   9  -8.852  -4.558   2.328
  524   1HB   LEU   9          1HB       LEU   9  -7.297  -6.991   1.580
  525   2HB   LEU   9          2HB       LEU   9  -6.503  -5.532   2.157
  526    HG   LEU   9           HG       LEU   9  -8.792  -6.671   3.780
  527   1HD1  LEU   9          1HD1      LEU   9  -7.582  -8.644   3.511
  528   2HD1  LEU   9          2HD1      LEU   9  -5.997  -7.836   3.600
  529   3HD1  LEU   9          3HD1      LEU   9  -7.014  -8.012   5.047
  530   1HD2  LEU   9          1HD2      LEU   9  -6.201  -5.204   4.460
  531   2HD2  LEU   9          2HD2      LEU   9  -7.864  -4.563   4.544
  532   3HD2  LEU   9          3HD2      LEU   9  -7.350  -5.824   5.659
  533    H    GLU  10           H        GLU  10  -8.951  -5.736  -1.053
  534    HA   GLU  10           HA       GLU  10  -7.444  -3.550  -2.146
  535   1HB   GLU  10          1HB       GLU  10  -9.728  -5.262  -3.212
  536   2HB   GLU  10          2HB       GLU  10  -8.895  -4.015  -4.101
  537   1HG   GLU  10          1HG       GLU  10  -7.448  -6.446  -2.971
  538   2HG   GLU  10          2HG       GLU  10  -8.163  -6.401  -4.582
  539    H    LEU  11           H        LEU  11 -10.930  -4.050  -1.341
  540    HA   LEU  11           HA       LEU  11 -11.879  -1.800  -2.751
  541   1HB   LEU  11          1HB       LEU  11 -13.282  -3.679  -1.782
  542   2HB   LEU  11          2HB       LEU  11 -12.985  -3.017  -0.174
  543    HG   LEU  11           HG       LEU  11 -14.084  -0.818  -1.100
  544   1HD1  LEU  11          1HD1      LEU  11 -14.094  -1.515  -3.500
  545   2HD1  LEU  11          2HD1      LEU  11 -15.170  -2.864  -3.086
  546   3HD1  LEU  11          3HD1      LEU  11 -15.724  -1.190  -2.890
  547   1HD2  LEU  11          1HD2      LEU  11 -15.712  -3.339  -0.627
  548   2HD2  LEU  11          2HD2      LEU  11 -15.087  -2.233   0.617
  549   3HD2  LEU  11          3HD2      LEU  11 -16.316  -1.670  -0.528
  550    H    GLN  12           H        GLN  12 -10.954  -2.030   0.667
  551    HA   GLN  12           HA       GLN  12 -11.516   0.604   1.480
  552   1HB   GLN  12          1HB       GLN  12  -9.602   0.290   3.105
  553   2HB   GLN  12          2HB       GLN  12 -10.870  -0.949   3.165
  554   1HG   GLN  12          1HG       GLN  12  -9.561  -2.526   1.998
  555   2HG   GLN  12          2HG       GLN  12  -8.398  -1.313   1.457
  556   1HE2  GLN  12          2HE2      GLN  12  -6.816  -2.826   2.193
  557   2HE2  GLN  12          1HE2      GLN  12  -6.352  -2.807   3.898
  558    H    LEU  13           H        LEU  13  -8.908  -0.472  -0.689
  559    HA   LEU  13           HA       LEU  13  -7.234   1.845  -0.250
  560   1HB   LEU  13          1HB       LEU  13  -7.171  -0.013  -2.655
  561   2HB   LEU  13          2HB       LEU  13  -5.958   1.116  -2.076
  562    HG   LEU  13           HG       LEU  13  -6.742  -1.576  -0.972
  563   1HD1  LEU  13          1HD1      LEU  13  -4.970  -1.451  -2.650
  564   2HD1  LEU  13          2HD1      LEU  13  -4.131  -0.194  -1.710
  565   3HD1  LEU  13          3HD1      LEU  13  -4.220  -1.832  -1.077
  566   1HD2  LEU  13          1HD2      LEU  13  -4.956   0.351   0.522
  567   2HD2  LEU  13          2HD2      LEU  13  -6.611   0.011   1.041
  568   3HD2  LEU  13          3HD2      LEU  13  -5.427  -1.292   0.994
  569    H    ILE  14           H        ILE  14  -9.503   0.714  -2.821
  570    HA   ILE  14           HA       ILE  14  -9.380   3.129  -4.397
  571    HB   ILE  14           HB       ILE  14 -11.346   0.816  -4.064
  572   1HG1  ILE  14          1HG1      ILE  14 -10.727   0.312  -6.340
  573   2HG1  ILE  14          2HG1      ILE  14  -9.865   1.841  -6.530
  574   1HG2  ILE  14          1HG2      ILE  14 -12.835   2.710  -4.540
  575   2HG2  ILE  14          2HG2      ILE  14 -11.772   3.252  -5.860
  576   3HG2  ILE  14          3HG2      ILE  14 -12.651   1.722  -5.988
  577   1HD1  ILE  14          1HD1      ILE  14  -8.097   1.102  -5.024
  578   2HD1  ILE  14          2HD1      ILE  14  -9.011  -0.381  -4.640
  579   3HD1  ILE  14          3HD1      ILE  14  -8.372  -0.095  -6.272
  580    H    LYS  15           H        LYS  15 -11.272   2.259  -1.565
  581    HA   LYS  15           HA       LYS  15 -12.838   4.652  -1.412
  582   1HB   LYS  15          1HB       LYS  15 -12.547   2.261   0.066
  583   2HB   LYS  15          2HB       LYS  15 -11.917   3.473   1.149
  584   1HG   LYS  15          1HG       LYS  15 -14.170   3.294   1.699
  585   2HG   LYS  15          2HG       LYS  15 -14.136   4.765   0.711
  586   1HD   LYS  15          1HD       LYS  15 -14.942   3.478  -1.249
  587   2HD   LYS  15          2HD       LYS  15 -14.780   1.958  -0.350
  588   1HE   LYS  15          1HE       LYS  15 -16.491   2.765   1.295
  589   2HE   LYS  15          2HE       LYS  15 -16.719   4.223   0.309
  590   1HZ   LYS  15          1HZ       LYS  15 -17.400   2.801  -1.493
  591   2HZ   LYS  15          2HZ       LYS  15 -17.167   1.454  -0.573
  592   3HZ   LYS  15          3HZ       LYS  15 -18.338   2.536  -0.163
  593    H    GLN  16           H        GLN  16  -9.671   3.752   0.058
  594    HA   GLN  16           HA       GLN  16  -9.407   6.319   1.376
  595   1HB   GLN  16          1HB       GLN  16  -7.513   3.983   0.897
  596   2HB   GLN  16          2HB       GLN  16  -6.999   5.459   1.722
  597   1HG   GLN  16          1HG       GLN  16  -9.394   3.812   2.649
  598   2HG   GLN  16          2HG       GLN  16  -7.766   3.621   3.287
  599   1HE2  GLN  16          2HE2      GLN  16 -10.688   5.414   3.536
  600   2HE2  GLN  16          1HE2      GLN  16 -10.085   6.701   4.559
  601    H    TYR  17           H        TYR  17  -8.419   5.101  -1.719
  602    HA   TYR  17           HA       TYR  17  -6.581   7.151  -2.496
  603   1HB   TYR  17          1HB       TYR  17  -8.348   5.097  -3.871
  604   2HB   TYR  17          2HB       TYR  17  -7.648   6.359  -4.819
  605    HD1  TYR  17           HD1      TYR  17  -7.163   3.076  -4.183
  606    HD2  TYR  17           HD2      TYR  17  -5.041   6.807  -4.488
  607    HE1  TYR  17           HE1      TYR  17  -5.225   1.881  -5.039
  608    HE2  TYR  17           HE2      TYR  17  -3.103   5.596  -5.435
  609    HH   TYR  17           HH       TYR  17  -2.972   2.046  -5.576
  610    H    ARG  18           H        ARG  18 -10.142   6.833  -2.487
  611    HA   ARG  18           HA       ARG  18 -10.482   9.316  -3.995
  612   1HB   ARG  18          1HB       ARG  18 -12.415   7.457  -2.584
  613   2HB   ARG  18          2HB       ARG  18 -12.886   9.092  -3.072
  614   1HG   ARG  18          1HG       ARG  18 -12.148   8.639  -5.391
  615   2HG   ARG  18          2HG       ARG  18 -11.763   6.967  -4.952
  616   1HD   ARG  18          1HD       ARG  18 -14.531   8.204  -4.558
  617   2HD   ARG  18          2HD       ARG  18 -14.020   7.440  -6.080
  618    HE   ARG  18           HE       ARG  18 -13.448   5.612  -4.028
  619   1HH1  ARG  18          1HH2      ARG  18 -16.248   7.150  -5.508
  620   2HH1  ARG  18          2HH2      ARG  18 -17.253   5.728  -5.497
  621   1HH2  ARG  18          1HH1      ARG  18 -14.716   3.704  -4.035
  622   2HH2  ARG  18          2HH1      ARG  18 -16.351   3.708  -4.637
  623    H    GLU  19           H        GLU  19 -10.649   8.297  -0.643
  624    HA   GLU  19           HA       GLU  19 -11.178  10.815   0.528
  625   1HB   GLU  19          1HB       GLU  19 -10.982   8.538   1.696
  626   2HB   GLU  19          2HB       GLU  19  -9.233   8.838   1.734
  627   1HG   GLU  19          1HG       GLU  19  -9.627  10.961   2.949
  628   2HG   GLU  19          2HG       GLU  19 -11.374  10.659   2.910
  629    H    ALA  20           H        ALA  20  -8.076   9.412  -0.619
  630    HA   ALA  20           HA       ALA  20  -6.662  11.976  -0.003
  631   1HB   ALA  20          1HB       ALA  20  -5.635   9.944   0.916
  632   2HB   ALA  20          2HB       ALA  20  -5.810   9.132  -0.635
  633   3HB   ALA  20          3HB       ALA  20  -4.635  10.442  -0.455
  634    H    LEU  21           H        LEU  21  -8.593  11.433  -2.415
  635    HA   LEU  21           HA       LEU  21  -6.717  11.814  -4.664
  636   1HB   LEU  21          1HB       LEU  21  -8.665  10.522  -5.134
  637   2HB   LEU  21          2HB       LEU  21  -9.733  11.715  -4.385
  638    HG   LEU  21           HG       LEU  21  -9.315  13.301  -6.220
  639   1HD1  LEU  21          1HD1      LEU  21  -7.041  12.632  -6.901
  640   2HD1  LEU  21          2HD1      LEU  21  -7.640  11.028  -7.365
  641   3HD1  LEU  21          3HD1      LEU  21  -8.151  12.474  -8.267
  642   1HD2  LEU  21          1HD2      LEU  21 -10.180  10.509  -7.061
  643   2HD2  LEU  21          2HD2      LEU  21 -11.195  11.726  -6.267
  644   3HD2  LEU  21          3HD2      LEU  21 -10.580  12.031  -7.899
  645    H    GLU  22           H        GLU  22  -9.398  13.604  -3.201
  646    HA   GLU  22           HA       GLU  22  -9.010  15.930  -4.830
  647   1HB   GLU  22          1HB       GLU  22 -10.588  15.479  -2.253
  648   2HB   GLU  22          2HB       GLU  22 -10.675  16.965  -3.202
  649   1HG   GLU  22          1HG       GLU  22 -11.283  14.279  -4.512
  650   2HG   GLU  22          2HG       GLU  22 -12.491  15.134  -3.552
  651    H    TYR  23           H        TYR  23  -8.047  15.065  -1.526
  652    HA   TYR  23           HA       TYR  23  -6.849  17.573  -0.879
  653   1HB   TYR  23          1HB       TYR  23  -6.732  14.722   0.094
  654   2HB   TYR  23          2HB       TYR  23  -5.495  15.823   0.629
  655    HD1  TYR  23           HD1      TYR  23  -6.316  18.165   1.557
  656    HD2  TYR  23           HD2      TYR  23  -8.771  14.628   1.332
  657    HE1  TYR  23           HE1      TYR  23  -7.853  19.117   3.258
  658    HE2  TYR  23           HE2      TYR  23 -10.284  15.567   3.040
  659    HH   TYR  23           HH       TYR  23 -10.726  17.347   4.424
  660    H    VAL  24           H        VAL  24  -5.730  14.834  -2.855
  661    HA   VAL  24           HA       VAL  24  -2.957  15.909  -2.787
  662    HB   VAL  24           HB       VAL  24  -4.112  13.383  -3.968
  663   1HG1  VAL  24          1HG1      VAL  24  -2.149  14.003  -5.294
  664   2HG1  VAL  24          2HG1      VAL  24  -1.214  14.330  -3.821
  665   3HG1  VAL  24          3HG1      VAL  24  -1.731  12.675  -4.213
  666   1HG2  VAL  24          1HG2      VAL  24  -2.258  13.907  -1.580
  667   2HG2  VAL  24          2HG2      VAL  24  -3.976  13.516  -1.439
  668   3HG2  VAL  24          3HG2      VAL  24  -2.855  12.323  -2.111
  669    H    LYS  25           H        LYS  25  -5.751  16.056  -4.888
  670    HA   LYS  25           HA       LYS  25  -6.115  17.244  -6.790
  671   1HB   LYS  25          1HB       LYS  25  -3.719  18.749  -5.683
  672   2HB   LYS  25          2HB       LYS  25  -4.472  19.242  -7.183
  673   1HG   LYS  25          1HG       LYS  25  -6.401  18.779  -5.000
  674   2HG   LYS  25          2HG       LYS  25  -5.257  20.059  -4.652
  675   1HD   LYS  25          1HD       LYS  25  -6.794  19.913  -7.287
  676   2HD   LYS  25          2HD       LYS  25  -7.466  20.688  -5.845
  677   1HE   LYS  25          1HE       LYS  25  -5.615  22.275  -5.726
  678   2HE   LYS  25          2HE       LYS  25  -4.784  21.490  -7.077
  679   1HZ   LYS  25          1HZ       LYS  25  -6.588  22.105  -8.491
  680   2HZ   LYS  25          2HZ       LYS  25  -7.399  22.810  -7.240
  681   3HZ   LYS  25          3HZ       LYS  25  -5.965  23.438  -7.753
  682    H    LEU  26           H        LEU  26  -4.316  14.810  -6.991
  683    HA   LEU  26           HA       LEU  26  -3.168  15.426  -9.693
  684   1HB   LEU  26          1HB       LEU  26  -2.223  13.768  -7.511
  685   2HB   LEU  26          2HB       LEU  26  -2.370  12.832  -8.990
  686    HG   LEU  26           HG       LEU  26  -0.901  15.482  -8.908
  687   1HD1  LEU  26          1HD1      LEU  26   0.179  14.000  -7.267
  688   2HD1  LEU  26          2HD1      LEU  26   0.175  12.663  -8.429
  689   3HD1  LEU  26          3HD1      LEU  26   1.190  14.087  -8.719
  690   1HD2  LEU  26          1HD2      LEU  26  -0.464  13.074 -10.747
  691   2HD2  LEU  26          2HD2      LEU  26  -1.519  14.424 -11.203
  692   3HD2  LEU  26          3HD2      LEU  26   0.212  14.682 -10.921
  693    HA   PRO  27           HA       PRO  27  -6.997  13.096 -10.709
  694   1HB   PRO  27          1HB       PRO  27  -6.784  13.178 -13.453
  695   2HB   PRO  27          2HB       PRO  27  -7.461  14.496 -12.459
  696   1HG   PRO  27          1HG       PRO  27  -4.649  14.256 -13.539
  697   2HG   PRO  27          2HG       PRO  27  -5.724  15.682 -13.588
  698   1HD   PRO  27          1HD       PRO  27  -3.796  15.429 -11.725
  699   2HD   PRO  27          2HD       PRO  27  -5.378  16.119 -11.262
  700    H    VAL  28           H        VAL  28  -3.637  12.597 -11.739
  701    HA   VAL  28           HA       VAL  28  -3.636  10.022 -12.715
  702    HB   VAL  28           HB       VAL  28  -1.760  11.298 -10.777
  703   1HG1  VAL  28          1HG1      VAL  28  -1.372   8.950 -10.487
  704   2HG1  VAL  28          2HG1      VAL  28  -1.458   8.652 -12.241
  705   3HG1  VAL  28          3HG1      VAL  28  -0.095   9.535 -11.543
  706   1HG2  VAL  28          1HG2      VAL  28  -1.426  10.727 -13.764
  707   2HG2  VAL  28          2HG2      VAL  28  -1.779  12.333 -13.080
  708   3HG2  VAL  28          3HG2      VAL  28  -0.244  11.526 -12.729
  709    H    LEU  29           H        LEU  29  -4.259  10.948  -9.239
  710    HA   LEU  29           HA       LEU  29  -3.975   8.269  -8.298
  711   1HB   LEU  29          1HB       LEU  29  -5.121  10.878  -7.254
  712   2HB   LEU  29          2HB       LEU  29  -5.633   9.370  -6.540
  713    HG   LEU  29           HG       LEU  29  -3.173   8.739  -6.284
  714   1HD1  LEU  29          1HD1      LEU  29  -2.201  10.432  -7.816
  715   2HD1  LEU  29          2HD1      LEU  29  -2.831  11.719  -6.758
  716   3HD1  LEU  29          3HD1      LEU  29  -1.570  10.614  -6.171
  717   1HD2  LEU  29          1HD2      LEU  29  -4.612   9.439  -4.398
  718   2HD2  LEU  29          2HD2      LEU  29  -2.959  10.042  -4.195
  719   3HD2  LEU  29          3HD2      LEU  29  -4.241  11.139  -4.749
  720    H    ALA  30           H        ALA  30  -6.809  10.214  -9.377
  721    HA   ALA  30           HA       ALA  30  -8.699   8.116  -8.840
  722   1HB   ALA  30          1HB       ALA  30  -9.358  10.491  -9.236
  723   2HB   ALA  30          2HB       ALA  30  -8.846  10.357 -10.928
  724   3HB   ALA  30          3HB       ALA  30 -10.200   9.378 -10.329
  725    H    LYS  31           H        LYS  31  -6.554   8.981 -11.601
  726    HA   LYS  31           HA       LYS  31  -7.832   7.176 -13.427
  727   1HB   LYS  31          1HB       LYS  31  -6.085   9.226 -13.780
  728   2HB   LYS  31          2HB       LYS  31  -4.919   7.903 -13.750
  729   1HG   LYS  31          1HG       LYS  31  -5.448   8.212 -16.023
  730   2HG   LYS  31          2HG       LYS  31  -6.387   6.780 -15.562
  731   1HD   LYS  31          1HD       LYS  31  -8.425   8.204 -15.305
  732   2HD   LYS  31          2HD       LYS  31  -7.461   9.653 -15.646
  733   1HE   LYS  31          1HE       LYS  31  -6.947   8.744 -17.922
  734   2HE   LYS  31          2HE       LYS  31  -7.958   7.329 -17.565
  735   1HZ   LYS  31          1HZ       LYS  31  -9.816   8.798 -17.298
  736   2HZ   LYS  31          2HZ       LYS  31  -8.879  10.117 -17.616
  737   3HZ   LYS  31          3HZ       LYS  31  -9.142   8.991 -18.791
  738    H    ILE  32           H        ILE  32  -5.085   6.870 -11.281
  739    HA   ILE  32           HA       ILE  32  -4.201   4.241 -12.022
  740    HB   ILE  32           HB       ILE  32  -3.949   6.014  -9.565
  741   1HG1  ILE  32          1HG1      ILE  32  -1.841   4.701 -11.337
  742   2HG1  ILE  32          2HG1      ILE  32  -2.513   6.312 -11.615
  743   1HG2  ILE  32          1HG2      ILE  32  -4.209   3.938  -8.472
  744   2HG2  ILE  32          2HG2      ILE  32  -3.310   3.065  -9.716
  745   3HG2  ILE  32          3HG2      ILE  32  -2.473   4.141  -8.581
  746   1HD1  ILE  32          1HD1      ILE  32  -1.739   6.962  -9.287
  747   2HD1  ILE  32          2HD1      ILE  32  -0.839   5.431  -9.227
  748   3HD1  ILE  32          3HD1      ILE  32  -0.449   6.625 -10.464
  749    H    LEU  33           H        LEU  33  -6.456   5.600  -9.558
  750    HA   LEU  33           HA       LEU  33  -6.836   3.049  -8.524
  751   1HB   LEU  33          1HB       LEU  33  -8.170   4.062  -6.866
  752   2HB   LEU  33          2HB       LEU  33  -7.095   5.349  -7.409
  753    HG   LEU  33           HG       LEU  33  -8.964   6.058  -8.932
  754   1HD1  LEU  33          1HD1      LEU  33 -10.714   4.708  -9.156
  755   2HD1  LEU  33          2HD1      LEU  33 -10.298   3.786  -7.699
  756   3HD1  LEU  33          3HD1      LEU  33 -11.226   5.300  -7.578
  757   1HD2  LEU  33          1HD2      LEU  33  -9.448   6.145  -5.963
  758   2HD2  LEU  33          2HD2      LEU  33  -8.252   7.154  -6.830
  759   3HD2  LEU  33          3HD2      LEU  33  -9.985   7.356  -7.151
  760    H    GLU  34           H        GLU  34  -8.556   4.851 -10.994
  761    HA   GLU  34           HA       GLU  34 -10.893   3.302 -11.213
  762   1HB   GLU  34          1HB       GLU  34 -10.181   5.477 -12.463
  763   2HB   GLU  34          2HB       GLU  34  -9.211   4.477 -13.508
  764   1HG   GLU  34          1HG       GLU  34 -11.270   3.214 -14.198
  765   2HG   GLU  34          2HG       GLU  34 -12.236   4.245 -13.130
  766    H    ASP  35           H        ASP  35  -7.727   2.940 -12.715
  767    HA   ASP  35           HA       ASP  35  -8.198   0.521 -14.132
  768   1HB   ASP  35          1HB       ASP  35  -6.124   2.229 -13.989
  769   2HB   ASP  35          2HB       ASP  35  -5.500   0.975 -12.898
  770    H    GLU  36           H        GLU  36  -6.832   1.080 -10.855
  771    HA   GLU  36           HA       GLU  36  -6.553  -1.603 -10.089
  772   1HB   GLU  36          1HB       GLU  36  -7.347   0.685  -8.265
  773   2HB   GLU  36          2HB       GLU  36  -6.683  -0.876  -7.799
  774   1HG   GLU  36          1HG       GLU  36  -4.904   0.374  -9.764
  775   2HG   GLU  36          2HG       GLU  36  -5.268   1.540  -8.495
  776    H    GLU  37           H        GLU  37  -9.486   0.495  -9.856
  777    HA   GLU  37           HA       GLU  37 -11.172  -1.263  -8.563
  778   1HB   GLU  37          1HB       GLU  37 -11.286   1.280  -9.641
  779   2HB   GLU  37          2HB       GLU  37 -12.270   0.445 -10.822
  780   1HG   GLU  37          1HG       GLU  37 -12.656   0.222  -7.802
  781   2HG   GLU  37          2HG       GLU  37 -13.275   1.555  -8.775
  782    H    LYS  38           H        LYS  38 -10.449  -1.076 -12.076
  783    HA   LYS  38           HA       LYS  38 -12.180  -3.246 -12.822
  784   1HB   LYS  38          1HB       LYS  38 -11.064  -1.529 -14.350
  785   2HB   LYS  38          2HB       LYS  38  -9.561  -2.442 -14.142
  786   1HG   LYS  38          1HG       LYS  38 -10.857  -4.515 -14.951
  787   2HG   LYS  38          2HG       LYS  38 -12.178  -3.407 -15.359
  788   1HD   LYS  38          1HD       LYS  38 -10.616  -2.166 -16.885
  789   2HD   LYS  38          2HD       LYS  38  -9.294  -3.233 -16.389
  790   1HE   LYS  38          1HE       LYS  38 -10.157  -3.982 -18.546
  791   2HE   LYS  38          2HE       LYS  38 -10.502  -5.202 -17.309
  792   1HZ   LYS  38          1HZ       LYS  38 -12.731  -4.350 -17.177
  793   2HZ   LYS  38          2HZ       LYS  38 -12.407  -3.200 -18.310
  794   3HZ   LYS  38          3HZ       LYS  38 -12.383  -4.796 -18.722
  795    H    HIS  39           H        HIS  39  -8.699  -3.176 -11.939
  796    HA   HIS  39           HA       HIS  39  -8.193  -5.942 -12.310
  797   1HB   HIS  39          1HB       HIS  39  -6.997  -3.840 -10.476
  798   2HB   HIS  39          2HB       HIS  39  -6.442  -5.487 -10.435
  799    HD1  HIS  39           HD1      HIS  39  -5.926  -6.380 -13.221
  800    HD2  HIS  39           HD2      HIS  39  -5.593  -2.330 -12.108
  801    HE1  HIS  39           HE1      HIS  39  -4.429  -5.263 -14.969
  802    HE2  HIS  39           HE2      HIS  39  -4.223  -2.788 -14.261
  803    H    ILE  40           H        ILE  40  -9.538  -4.246  -9.513
  804    HA   ILE  40           HA       ILE  40  -9.626  -6.583  -7.805
  805    HB   ILE  40           HB       ILE  40 -11.075  -3.909  -7.617
  806   1HG1  ILE  40          1HG1      ILE  40  -8.628  -4.773  -6.070
  807   2HG1  ILE  40          2HG1      ILE  40  -8.390  -4.051  -7.613
  808   1HG2  ILE  40          1HG2      ILE  40 -12.115  -5.658  -6.144
  809   2HG2  ILE  40          2HG2      ILE  40 -10.515  -6.091  -5.522
  810   3HG2  ILE  40          3HG2      ILE  40 -11.215  -4.511  -5.154
  811   1HD1  ILE  40          1HD1      ILE  40  -9.566  -2.027  -7.033
  812   2HD1  ILE  40          2HD1      ILE  40  -9.988  -2.646  -5.438
  813   3HD1  ILE  40          3HD1      ILE  40  -8.281  -2.366  -5.857
  814    H    GLU  41           H        GLU  41 -11.837  -4.903 -10.047
  815    HA   GLU  41           HA       GLU  41 -14.163  -6.288  -9.426
  816   1HB   GLU  41          1HB       GLU  41 -13.884  -4.297 -11.041
  817   2HB   GLU  41          2HB       GLU  41 -13.363  -5.482 -12.251
  818   1HG   GLU  41          1HG       GLU  41 -15.744  -6.569 -11.253
  819   2HG   GLU  41          2HG       GLU  41 -16.047  -4.832 -11.235
  820    H    TRP  42           H        TRP  42 -11.402  -7.225 -11.575
  821    HA   TRP  42           HA       TRP  42 -12.453  -9.529 -12.641
  822   1HB   TRP  42          1HB       TRP  42 -10.141  -8.467 -12.937
  823   2HB   TRP  42          2HB       TRP  42  -9.653  -9.343 -11.493
  824    HD1  TRP  42           HD1      TRP  42 -11.149 -10.029 -14.901
  825    HE1  TRP  42           HE1      TRP  42 -10.744 -12.529 -15.579
  826    HE3  TRP  42           HE3      TRP  42  -9.002 -11.573 -10.643
  827    HZ2  TRP  42           HZ2      TRP  42  -9.603 -14.889 -14.311
  828    HZ3  TRP  42           HZ3      TRP  42  -8.343 -13.963 -10.295
  829    HH2  TRP  42           HH2      TRP  42  -8.612 -15.613 -12.138
  830    H    LEU  43           H        LEU  43 -11.079  -9.067  -9.386
  831    HA   LEU  43           HA       LEU  43 -11.300 -11.893  -8.668
  832   1HB   LEU  43          1HB       LEU  43 -10.987  -9.432  -6.896
  833   2HB   LEU  43          2HB       LEU  43 -11.099 -11.088  -6.327
  834    HG   LEU  43           HG       LEU  43  -9.111 -11.275  -8.294
  835   1HD1  LEU  43          1HD1      LEU  43  -8.924  -8.837  -8.433
  836   2HD1  LEU  43          2HD1      LEU  43  -8.694  -8.713  -6.683
  837   3HD1  LEU  43          3HD1      LEU  43  -7.482  -9.534  -7.676
  838   1HD2  LEU  43          1HD2      LEU  43  -8.984 -11.006  -5.284
  839   2HD2  LEU  43          2HD2      LEU  43  -9.067 -12.495  -6.228
  840   3HD2  LEU  43          3HD2      LEU  43  -7.599 -11.501  -6.284
  841    H    GLU  44           H        GLU  44 -13.409  -9.016  -8.211
  842    HA   GLU  44           HA       GLU  44 -15.060 -10.545  -6.473
  843   1HB   GLU  44          1HB       GLU  44 -16.333  -8.634  -6.083
  844   2HB   GLU  44          2HB       GLU  44 -14.719  -7.999  -6.474
  845   1HG   GLU  44          1HG       GLU  44 -15.611  -7.790  -8.865
  846   2HG   GLU  44          2HG       GLU  44 -17.201  -8.157  -8.208
  847    H    THR  45           H        THR  45 -14.910 -10.551  -9.702
  848    HA   THR  45           HA       THR  45 -17.737 -11.361 -10.232
  849    HB   THR  45           HB       THR  45 -16.488  -9.266 -11.237
  850    HG1  THR  45           HG1      THR  45 -17.930  -9.330 -12.898
  851   1HG2  THR  45          1HG2      THR  45 -14.595 -10.465 -12.284
  852   2HG2  THR  45          2HG2      THR  45 -15.745 -11.285 -13.367
  853   3HG2  THR  45          3HG2      THR  45 -15.555  -9.527 -13.425
  854    H    ILE  46           H        ILE  46 -14.371 -11.998 -10.753
  855    HA   ILE  46           HA       ILE  46 -13.188 -13.691 -11.717
  856    HB   ILE  46           HB       ILE  46 -13.158 -13.966  -9.425
  857   1HG1  ILE  46          1HG1      ILE  46 -12.723 -16.251  -8.984
  858   2HG1  ILE  46          2HG1      ILE  46 -13.607 -16.800 -10.402
  859   1HG2  ILE  46          1HG2      ILE  46 -15.401 -13.787  -8.754
  860   2HG2  ILE  46          2HG2      ILE  46 -15.850 -15.302  -9.569
  861   3HG2  ILE  46          3HG2      ILE  46 -14.797 -15.308  -8.125
  862   1HD1  ILE  46          1HD1      ILE  46 -11.989 -15.644 -11.876
  863   2HD1  ILE  46          2HD1      ILE  46 -11.203 -14.917 -10.454
  864   3HD1  ILE  46          3HD1      ILE  46 -11.112 -16.671 -10.726
  865    H    LEU  47           H        LEU  47 -14.960 -13.222 -13.509
  866    HA   LEU  47           HA       LEU  47 -16.665 -15.376 -14.238
  867   1HB   LEU  47          1HB       LEU  47 -16.795 -12.938 -14.939
  868   2HB   LEU  47          2HB       LEU  47 -15.466 -13.245 -16.054
  869    HG   LEU  47           HG       LEU  47 -17.379 -15.308 -16.561
  870   1HD1  LEU  47          1HD1      LEU  47 -19.025 -13.986 -15.263
  871   2HD1  LEU  47          2HD1      LEU  47 -18.736 -12.589 -16.324
  872   3HD1  LEU  47          3HD1      LEU  47 -19.454 -14.073 -16.983
  873   1HD2  LEU  47          1HD2      LEU  47 -16.863 -12.709 -18.065
  874   2HD2  LEU  47          2HD2      LEU  47 -15.950 -14.226 -18.244
  875   3HD2  LEU  47          3HD2      LEU  47 -17.657 -14.158 -18.721
  876    H    GLY  48           H        GLY  48 -13.354 -14.448 -15.295
  877   1HA   GLY  48          1HA       GLY  48 -12.318 -16.962 -15.767
  878   2HA   GLY  48          2HA       GLY  48 -13.138 -16.514 -17.283
  879   1HN   NH2  49          1HN       NH2  49 -10.526 -16.792 -17.638
  880   2HN   NH2  49          2HN       NH2  49  -9.686 -15.219 -17.691
  Start of MODEL    2
    1   1H    ACE   0          H1        ACE   0  -2.412   4.608   5.058
    2   2H    ACE   0          H2        ACE   0  -1.093   3.709   5.839
    3   3H    ACE   0          H3        ACE   0  -2.745   3.050   5.846
    4    H    ASP   1           H        ASP   1  -1.209   1.214   4.969
    5    HA   ASP   1           HA       ASP   1  -0.393   1.533   2.189
    6   1HB   ASP   1          1HB       ASP   1   0.743   0.209   4.091
    7   2HB   ASP   1          2HB       ASP   1  -0.404  -1.078   3.726
    8    H    TYR   2           H        TYR   2  -3.271   0.633   3.679
    9    HA   TYR   2           HA       TYR   2  -4.683  -1.313   2.788
   10   1HB   TYR   2          1HB       TYR   2  -6.571   0.075   2.688
   11   2HB   TYR   2          2HB       TYR   2  -5.509   0.602   3.960
   12    HD1  TYR   2           HD1      TYR   2  -7.019   1.564   0.739
   13    HD2  TYR   2           HD2      TYR   2  -4.473   2.780   3.984
   14    HE1  TYR   2           HE1      TYR   2  -7.006   3.902  -0.130
   15    HE2  TYR   2           HE2      TYR   2  -4.368   5.070   3.056
   16    HH   TYR   2           HH       TYR   2  -5.004   6.457   1.329
   17    H    LEU   3           H        LEU   3  -4.148   1.349   0.464
   18    HA   LEU   3           HA       LEU   3  -5.383  -0.087  -1.645
   19   1HB   LEU   3          1HB       LEU   3  -3.564   2.313  -1.456
   20   2HB   LEU   3          2HB       LEU   3  -3.583   1.529  -3.033
   21    HG   LEU   3           HG       LEU   3  -6.176   2.305  -1.679
   22   1HD1  LEU   3          1HD1      LEU   3  -4.785   4.344  -1.836
   23   2HD1  LEU   3          2HD1      LEU   3  -4.454   4.000  -3.547
   24   3HD1  LEU   3          3HD1      LEU   3  -6.103   4.395  -3.018
   25   1HD2  LEU   3          1HD2      LEU   3  -5.389   1.878  -4.601
   26   2HD2  LEU   3          2HD2      LEU   3  -6.292   0.724  -3.603
   27   3HD2  LEU   3          3HD2      LEU   3  -7.006   2.294  -4.005
   28    H    ARG   4           H        ARG   4  -1.916   0.044  -0.902
   29    HA   ARG   4           HA       ARG   4  -1.319  -1.839  -3.052
   30   1HB   ARG   4          1HB       ARG   4   0.328  -0.971  -0.648
   31   2HB   ARG   4          2HB       ARG   4   0.876  -2.017  -1.966
   32   1HG   ARG   4          1HG       ARG   4   0.146  -0.108  -3.567
   33   2HG   ARG   4          2HG       ARG   4   0.079   0.920  -2.127
   34   1HD   ARG   4          1HD       ARG   4   2.500  -0.670  -3.100
   35   2HD   ARG   4          2HD       ARG   4   2.238   1.074  -3.338
   36    HE   ARG   4           HE       ARG   4   2.040   0.513  -0.557
   37   1HH1  ARG   4          1HH2      ARG   4   4.448   0.462  -3.121
   38   2HH1  ARG   4          2HH2      ARG   4   5.778   0.949  -2.105
   39   1HH2  ARG   4          1HH1      ARG   4   3.705   1.153   0.794
   40   2HH2  ARG   4          2HH1      ARG   4   5.337   1.384   0.210
   41    H    GLU   5           H        GLU   5  -2.864  -2.128   0.017
   42    HA   GLU   5           HA       GLU   5  -1.778  -4.829   0.570
   43   1HB   GLU   5          1HB       GLU   5  -4.239  -3.476   1.751
   44   2HB   GLU   5          2HB       GLU   5  -3.659  -5.071   2.138
   45   1HG   GLU   5          1HG       GLU   5  -1.477  -3.108   2.378
   46   2HG   GLU   5          2HG       GLU   5  -2.861  -2.684   3.391
   47    H    LEU   6           H        LEU   6  -4.519  -3.255  -1.067
   48    HA   LEU   6           HA       LEU   6  -5.490  -5.900  -2.001
   49   1HB   LEU   6          1HB       LEU   6  -6.744  -3.185  -2.026
   50   2HB   LEU   6          2HB       LEU   6  -7.435  -4.612  -2.835
   51    HG   LEU   6           HG       LEU   6  -6.801  -4.477   0.137
   52   1HD1  LEU   6          1HD1      LEU   6  -8.594  -2.929  -0.681
   53   2HD1  LEU   6          2HD1      LEU   6  -9.434  -4.343  -1.350
   54   3HD1  LEU   6          3HD1      LEU   6  -9.154  -4.212   0.399
   55   1HD2  LEU   6          1HD2      LEU   6  -8.058  -6.630  -1.572
   56   2HD2  LEU   6          2HD2      LEU   6  -6.702  -6.780  -0.442
   57   3HD2  LEU   6          3HD2      LEU   6  -8.318  -6.515   0.182
   58    H    LEU   7           H        LEU   7  -2.950  -4.826  -2.907
   59    HA   LEU   7           HA       LEU   7  -3.638  -5.281  -5.645
   60   1HB   LEU   7          1HB       LEU   7  -3.474  -2.688  -5.279
   61   2HB   LEU   7          2HB       LEU   7  -1.738  -2.951  -5.154
   62    HG   LEU   7           HG       LEU   7  -2.320  -2.208  -7.357
   63   1HD1  LEU   7          1HD1      LEU   7  -0.541  -3.990  -7.168
   64   2HD1  LEU   7          2HD1      LEU   7  -1.761  -5.153  -7.759
   65   3HD1  LEU   7          3HD1      LEU   7  -1.286  -3.782  -8.761
   66   1HD2  LEU   7          1HD2      LEU   7  -3.771  -3.872  -8.820
   67   2HD2  LEU   7          2HD2      LEU   7  -4.491  -4.305  -7.282
   68   3HD2  LEU   7          3HD2      LEU   7  -4.519  -2.626  -7.795
   69    H    LYS   8           H        LYS   8  -0.817  -4.605  -3.527
   70    HA   LYS   8           HA       LYS   8   0.874  -6.017  -5.234
   71   1HB   LYS   8          1HB       LYS   8   1.335  -4.307  -3.231
   72   2HB   LYS   8          2HB       LYS   8   1.504  -5.790  -2.279
   73   1HG   LYS   8          1HG       LYS   8   3.207  -6.573  -3.999
   74   2HG   LYS   8          2HG       LYS   8   3.036  -4.996  -4.801
   75   1HD   LYS   8          1HD       LYS   8   3.692  -3.891  -2.605
   76   2HD   LYS   8          2HD       LYS   8   4.003  -5.511  -1.951
   77   1HE   LYS   8          1HE       LYS   8   5.660  -5.891  -3.821
   78   2HE   LYS   8          2HE       LYS   8   5.393  -4.220  -4.354
   79   1HZ   LYS   8          1HZ       LYS   8   6.167  -3.495  -2.201
   80   2HZ   LYS   8          2HZ       LYS   8   6.435  -5.056  -1.739
   81   3HZ   LYS   8          3HZ       LYS   8   7.311  -4.400  -2.971
   82    H    LEU   9           H        LEU   9  -0.864  -6.960  -2.294
   83    HA   LEU   9           HA       LEU   9   0.014  -9.710  -2.229
   84   1HB   LEU   9          1HB       LEU   9  -2.446  -8.316  -1.141
   85   2HB   LEU   9          2HB       LEU   9  -2.145 -10.024  -0.895
   86    HG   LEU   9           HG       LEU   9   0.020  -8.052  -0.116
   87   1HD1  LEU   9          1HD1      LEU   9  -1.933  -7.133   1.002
   88   2HD1  LEU   9          2HD1      LEU   9  -2.423  -8.740   1.573
   89   3HD1  LEU   9          3HD1      LEU   9  -0.934  -7.981   2.184
   90   1HD2  LEU   9          1HD2      LEU   9  -0.900 -10.714   1.071
   91   2HD2  LEU   9          2HD2      LEU   9   0.432 -10.525  -0.087
   92   3HD2  LEU   9          3HD2      LEU   9   0.554  -9.797   1.521
   93    H    GLU  10           H        GLU  10  -2.798  -7.994  -3.728
   94    HA   GLU  10           HA       GLU  10  -4.102 -10.246  -4.725
   95   1HB   GLU  10          1HB       GLU  10  -3.945  -7.570  -6.104
   96   2HB   GLU  10          2HB       GLU  10  -5.119  -8.872  -6.297
   97   1HG   GLU  10          1HG       GLU  10  -4.826  -7.179  -3.818
   98   2HG   GLU  10          2HG       GLU  10  -6.108  -7.038  -5.013
   99    H    LEU  11           H        LEU  11  -1.342  -8.439  -6.163
  100    HA   LEU  11           HA       LEU  11  -1.436  -9.803  -8.694
  101   1HB   LEU  11          1HB       LEU  11  -0.121  -7.659  -8.046
  102   2HB   LEU  11          2HB       LEU  11   1.045  -8.735  -7.274
  103    HG   LEU  11           HG       LEU  11   1.173  -9.919  -9.621
  104   1HD1  LEU  11          1HD1      LEU  11  -0.801  -8.752 -10.621
  105   2HD1  LEU  11          2HD1      LEU  11   0.035  -7.198 -10.422
  106   3HD1  LEU  11          3HD1      LEU  11   0.685  -8.426 -11.524
  107   1HD2  LEU  11          1HD2      LEU  11   2.279  -7.117  -9.192
  108   2HD2  LEU  11          2HD2      LEU  11   3.011  -8.642  -8.642
  109   3HD2  LEU  11          3HD2      LEU  11   2.876  -8.303 -10.375
  110    H    GLN  12           H        GLN  12   0.148 -10.628  -5.619
  111    HA   GLN  12           HA       GLN  12   1.770 -12.786  -6.532
  112   1HB   GLN  12          1HB       GLN  12   0.235 -12.548  -3.926
  113   2HB   GLN  12          2HB       GLN  12   1.575 -13.655  -4.220
  114   1HG   GLN  12          1HG       GLN  12   3.164 -11.849  -4.446
  115   2HG   GLN  12          2HG       GLN  12   1.894 -10.629  -4.387
  116   1HE2  GLN  12          2HE2      GLN  12   0.851 -12.852  -2.122
  117   2HE2  GLN  12          1HE2      GLN  12   1.635 -12.146  -0.728
  118    H    LEU  13           H        LEU  13  -1.671 -12.570  -5.820
  119    HA   LEU  13           HA       LEU  13  -2.297 -15.327  -5.654
  120   1HB   LEU  13          1HB       LEU  13  -4.167 -13.206  -6.758
  121   2HB   LEU  13          2HB       LEU  13  -4.574 -14.710  -5.944
  122    HG   LEU  13           HG       LEU  13  -3.197 -12.327  -4.637
  123   1HD1  LEU  13          1HD1      LEU  13  -5.452 -11.844  -5.497
  124   2HD1  LEU  13          2HD1      LEU  13  -6.079 -13.249  -4.650
  125   3HD1  LEU  13          3HD1      LEU  13  -5.373 -11.863  -3.732
  126   1HD2  LEU  13          1HD2      LEU  13  -4.321 -14.882  -3.446
  127   2HD2  LEU  13          2HD2      LEU  13  -2.613 -14.414  -3.513
  128   3HD2  LEU  13          3HD2      LEU  13  -3.735 -13.474  -2.537
  129    H    ILE  14           H        ILE  14  -2.698 -12.967  -8.369
  130    HA   ILE  14           HA       ILE  14  -3.502 -14.896 -10.283
  131    HB   ILE  14           HB       ILE  14  -2.242 -12.120 -10.391
  132   1HG1  ILE  14          1HG1      ILE  14  -4.373 -11.768 -11.741
  133   2HG1  ILE  14          2HG1      ILE  14  -4.852 -13.415 -11.368
  134   1HG2  ILE  14          1HG2      ILE  14  -1.157 -13.204 -12.310
  135   2HG2  ILE  14          2HG2      ILE  14  -2.716 -13.870 -12.847
  136   3HG2  ILE  14          3HG2      ILE  14  -2.434 -12.123 -12.867
  137   1HD1  ILE  14          1HD1      ILE  14  -4.964 -12.834  -8.973
  138   2HD1  ILE  14          2HD1      ILE  14  -4.276 -11.224  -9.326
  139   3HD1  ILE  14          3HD1      ILE  14  -5.883 -11.673  -9.935
  140    H    LYS  15           H        LYS  15  -0.274 -14.043  -9.173
  141    HA   LYS  15           HA       LYS  15   1.100 -15.780 -11.019
  142   1HB   LYS  15          1HB       LYS  15   1.922 -13.887  -9.188
  143   2HB   LYS  15          2HB       LYS  15   2.268 -15.368  -8.299
  144   1HG   LYS  15          1HG       LYS  15   4.244 -14.838  -9.459
  145   2HG   LYS  15          2HG       LYS  15   3.530 -16.179 -10.368
  146   1HD   LYS  15          1HD       LYS  15   2.572 -14.491 -12.001
  147   2HD   LYS  15          2HD       LYS  15   3.306 -13.193 -11.048
  148   1HE   LYS  15          1HE       LYS  15   5.560 -14.104 -11.513
  149   2HE   LYS  15          2HE       LYS  15   4.845 -15.466 -12.399
  150   1HZ   LYS  15          1HZ       LYS  15   3.945 -13.900 -13.958
  151   2HZ   LYS  15          2HZ       LYS  15   4.605 -12.632 -13.138
  152   3HZ   LYS  15          3HZ       LYS  15   5.582 -13.744 -13.863
  153    H    GLN  16           H        GLN  16  -0.143 -16.271  -7.670
  154    HA   GLN  16           HA       GLN  16   0.912 -18.967  -7.487
  155   1HB   GLN  16          1HB       GLN  16  -1.135 -17.422  -5.862
  156   2HB   GLN  16          2HB       GLN  16  -0.632 -19.076  -5.475
  157   1HG   GLN  16          1HG       GLN  16   1.696 -18.403  -5.246
  158   2HG   GLN  16          2HG       GLN  16   1.345 -16.767  -5.778
  159   1HE2  GLN  16          2HE2      GLN  16   1.278 -18.973  -3.089
  160   2HE2  GLN  16          1HE2      GLN  16   0.735 -17.787  -1.900
  161    H    TYR  17           H        TYR  17  -2.058 -17.614  -8.710
  162    HA   TYR  17           HA       TYR  17  -3.619 -19.996  -8.909
  163   1HB   TYR  17          1HB       TYR  17  -3.642 -17.188 -10.008
  164   2HB   TYR  17          2HB       TYR  17  -4.448 -18.361 -10.983
  165    HD1  TYR  17           HD1      TYR  17  -4.622 -16.483  -7.816
  166    HD2  TYR  17           HD2      TYR  17  -6.545 -19.413 -10.314
  167    HE1  TYR  17           HE1      TYR  17  -6.691 -16.166  -6.562
  168    HE2  TYR  17           HE2      TYR  17  -8.602 -19.205  -8.929
  169    HH   TYR  17           HH       TYR  17  -8.856 -16.830  -6.264
  170    H    ARG  18           H        ARG  18  -1.112 -18.512 -10.877
  171    HA   ARG  18           HA       ARG  18  -1.548 -20.298 -13.169
  172   1HB   ARG  18          1HB       ARG  18   0.683 -18.332 -12.492
  173   2HB   ARG  18          2HB       ARG  18   0.729 -19.441 -13.867
  174   1HG   ARG  18          1HG       ARG  18  -1.393 -18.510 -14.716
  175   2HG   ARG  18          2HG       ARG  18  -1.434 -17.355 -13.379
  176   1HD   ARG  18          1HD       ARG  18   0.069 -15.975 -14.321
  177   2HD   ARG  18          2HD       ARG  18   1.144 -17.265 -14.840
  178    HE   ARG  18           HE       ARG  18  -0.891 -15.923 -16.400
  179   1HH1  ARG  18          1HH2      ARG  18   0.755 -19.000 -15.990
  180   2HH1  ARG  18          2HH2      ARG  18   0.577 -19.515 -17.646
  181   1HH2  ARG  18          1HH1      ARG  18  -1.201 -16.567 -18.569
  182   2HH2  ARG  18          2HH1      ARG  18  -0.590 -18.091 -19.149
  183    H    GLU  19           H        GLU  19   0.667 -19.915 -10.488
  184    HA   GLU  19           HA       GLU  19   2.265 -22.180 -10.900
  185   1HB   GLU  19          1HB       GLU  19   2.550 -20.302  -9.176
  186   2HB   GLU  19          2HB       GLU  19   1.455 -21.243  -8.143
  187   1HG   GLU  19          1HG       GLU  19   2.992 -23.171  -8.245
  188   2HG   GLU  19          2HG       GLU  19   4.066 -22.277  -9.337
  189    H    ALA  20           H        ALA  20  -0.938 -21.952  -9.196
  190    HA   ALA  20           HA       ALA  20  -0.820 -24.876  -8.675
  191   1HB   ALA  20          1HB       ALA  20  -1.833 -23.382  -7.074
  192   2HB   ALA  20          2HB       ALA  20  -3.055 -22.904  -8.281
  193   3HB   ALA  20          3HB       ALA  20  -2.982 -24.588  -7.696
  194    H    LEU  21           H        LEU  21  -2.096 -22.843 -11.286
  195    HA   LEU  21           HA       LEU  21  -4.115 -24.350 -12.266
  196   1HB   LEU  21          1HB       LEU  21  -2.984 -22.227 -13.177
  197   2HB   LEU  21          2HB       LEU  21  -1.986 -23.281 -14.168
  198    HG   LEU  21           HG       LEU  21  -5.035 -23.404 -14.147
  199   1HD1  LEU  21          1HD1      LEU  21  -4.417 -21.084 -14.591
  200   2HD1  LEU  21          2HD1      LEU  21  -3.281 -21.605 -15.857
  201   3HD1  LEU  21          3HD1      LEU  21  -5.025 -21.872 -16.049
  202   1HD2  LEU  21          1HD2      LEU  21  -2.987 -24.204 -16.252
  203   2HD2  LEU  21          2HD2      LEU  21  -4.083 -25.285 -15.358
  204   3HD2  LEU  21          3HD2      LEU  21  -4.743 -24.143 -16.517
  205    H    GLU  22           H        GLU  22  -0.689 -25.114 -12.672
  206    HA   GLU  22           HA       GLU  22  -1.000 -27.296 -14.529
  207   1HB   GLU  22          1HB       GLU  22   1.307 -27.960 -13.608
  208   2HB   GLU  22          2HB       GLU  22   1.161 -26.458 -14.527
  209   1HG   GLU  22          1HG       GLU  22   1.288 -25.102 -12.588
  210   2HG   GLU  22          2HG       GLU  22   1.026 -26.481 -11.499
  211    H    TYR  23           H        TYR  23  -0.967 -27.064 -10.992
  212    HA   TYR  23           HA       TYR  23  -1.056 -29.927 -10.491
  213   1HB   TYR  23          1HB       TYR  23  -1.193 -27.376  -8.904
  214   2HB   TYR  23          2HB       TYR  23  -2.053 -28.725  -8.236
  215    HD1  TYR  23           HD1      TYR  23  -0.872 -30.745  -7.466
  216    HD2  TYR  23           HD2      TYR  23   1.275 -27.420  -9.182
  217    HE1  TYR  23           HE1      TYR  23   1.274 -31.717  -6.682
  218    HE2  TYR  23           HE2      TYR  23   3.407 -28.403  -8.426
  219    HH   TYR  23           HH       TYR  23   4.416 -30.167  -7.361
  220    H    VAL  24           H        VAL  24  -3.372 -27.268 -10.891
  221    HA   VAL  24           HA       VAL  24  -5.636 -28.882 -10.056
  222    HB   VAL  24           HB       VAL  24  -5.516 -26.203 -11.496
  223   1HG1  VAL  24          1HG1      VAL  24  -7.696 -27.143 -11.924
  224   2HG1  VAL  24          2HG1      VAL  24  -7.830 -27.779 -10.270
  225   3HG1  VAL  24          3HG1      VAL  24  -7.898 -26.040 -10.563
  226   1HG2  VAL  24          1HG2      VAL  24  -6.131 -26.918  -8.609
  227   2HG2  VAL  24          2HG2      VAL  24  -4.566 -26.283  -9.122
  228   3HG2  VAL  24          3HG2      VAL  24  -6.012 -25.277  -9.278
  229    H    LYS  25           H        LYS  25  -4.152 -28.188 -13.181
  230    HA   LYS  25           HA       LYS  25  -4.575 -28.870 -15.297
  231   1HB   LYS  25          1HB       LYS  25  -5.754 -31.308 -13.890
  232   2HB   LYS  25          2HB       LYS  25  -5.404 -31.187 -15.617
  233   1HG   LYS  25          1HG       LYS  25  -3.024 -30.807 -15.149
  234   2HG   LYS  25          2HG       LYS  25  -3.323 -30.955 -13.407
  235   1HD   LYS  25          1HD       LYS  25  -3.869 -33.226 -13.529
  236   2HD   LYS  25          2HD       LYS  25  -4.282 -33.162 -15.252
  237   1HE   LYS  25          1HE       LYS  25  -1.922 -32.853 -15.864
  238   2HE   LYS  25          2HE       LYS  25  -1.451 -32.874 -14.153
  239   1HZ   LYS  25          1HZ       LYS  25  -2.253 -35.108 -14.018
  240   2HZ   LYS  25          2HZ       LYS  25  -2.772 -35.081 -15.583
  241   3HZ   LYS  25          3HZ       LYS  25  -1.160 -34.997 -15.248
  242    H    LEU  26           H        LEU  26  -6.381 -26.952 -14.560
  243    HA   LEU  26           HA       LEU  26  -8.707 -27.834 -16.153
  244   1HB   LEU  26          1HB       LEU  26  -9.093 -28.063 -13.587
  245   2HB   LEU  26          2HB       LEU  26  -9.124 -26.297 -13.587
  246    HG   LEU  26           HG       LEU  26 -11.001 -26.476 -15.341
  247   1HD1  LEU  26          1HD1      LEU  26 -10.651 -28.861 -16.037
  248   2HD1  LEU  26          2HD1      LEU  26 -10.949 -29.382 -14.372
  249   3HD1  LEU  26          3HD1      LEU  26 -12.252 -28.647 -15.321
  250   1HD2  LEU  26          1HD2      LEU  26 -11.425 -27.710 -12.591
  251   2HD2  LEU  26          2HD2      LEU  26 -11.378 -25.970 -12.931
  252   3HD2  LEU  26          3HD2      LEU  26 -12.688 -26.965 -13.597
  253    HA   PRO  27           HA       PRO  27  -7.501 -23.859 -17.838
  254   1HB   PRO  27          1HB       PRO  27  -9.387 -23.536 -19.791
  255   2HB   PRO  27          2HB       PRO  27  -8.039 -24.701 -19.920
  256   1HG   PRO  27          1HG       PRO  27 -10.878 -25.265 -19.016
  257   2HG   PRO  27          2HG       PRO  27  -9.922 -26.159 -20.234
  258   1HD   PRO  27          1HD       PRO  27 -10.111 -27.011 -17.671
  259   2HD   PRO  27          2HD       PRO  27  -8.560 -27.156 -18.548
  260    H    VAL  28           H        VAL  28 -10.617 -24.596 -16.383
  261    HA   VAL  28           HA       VAL  28 -11.786 -22.031 -16.392
  262    HB   VAL  28           HB       VAL  28 -11.950 -24.128 -14.264
  263   1HG1  VAL  28          1HG1      VAL  28 -12.864 -21.975 -13.503
  264   2HG1  VAL  28          2HG1      VAL  28 -13.834 -21.840 -14.981
  265   3HG1  VAL  28          3HG1      VAL  28 -14.178 -23.115 -13.792
  266   1HG2  VAL  28          1HG2      VAL  28 -13.668 -23.688 -16.750
  267   2HG2  VAL  28          2HG2      VAL  28 -12.606 -25.081 -16.471
  268   3HG2  VAL  28          3HG2      VAL  28 -14.028 -24.846 -15.454
  269    H    LEU  29           H        LEU  29  -9.021 -23.309 -14.492
  270    HA   LEU  29           HA       LEU  29  -9.025 -21.248 -12.487
  271   1HB   LEU  29          1HB       LEU  29  -7.180 -23.370 -13.515
  272   2HB   LEU  29          2HB       LEU  29  -6.437 -21.989 -12.751
  273    HG   LEU  29           HG       LEU  29  -6.952 -24.033 -11.346
  274   1HD1  LEU  29          1HD1      LEU  29  -6.278 -21.881 -10.378
  275   2HD1  LEU  29          2HD1      LEU  29  -7.978 -21.348 -10.348
  276   3HD1  LEU  29          3HD1      LEU  29  -7.451 -22.711  -9.342
  277   1HD2  LEU  29          1HD2      LEU  29  -9.795 -22.920 -11.297
  278   2HD2  LEU  29          2HD2      LEU  29  -9.290 -24.437 -12.065
  279   3HD2  LEU  29          3HD2      LEU  29  -9.166 -24.221 -10.307
  280    H    ALA  30           H        ALA  30  -7.288 -21.597 -15.672
  281    HA   ALA  30           HA       ALA  30  -6.317 -19.043 -15.722
  282   1HB   ALA  30          1HB       ALA  30  -5.993 -20.754 -17.606
  283   2HB   ALA  30          2HB       ALA  30  -7.599 -20.282 -18.190
  284   3HB   ALA  30          3HB       ALA  30  -6.295 -19.093 -18.128
  285    H    LYS  31           H        LYS  31  -9.673 -19.956 -16.354
  286    HA   LYS  31           HA       LYS  31 -10.290 -17.231 -17.264
  287   1HB   LYS  31          1HB       LYS  31 -12.176 -19.487 -16.500
  288   2HB   LYS  31          2HB       LYS  31 -12.613 -17.947 -17.269
  289   1HG   LYS  31          1HG       LYS  31 -10.974 -18.470 -19.121
  290   2HG   LYS  31          2HG       LYS  31 -10.749 -20.079 -18.411
  291   1HD   LYS  31          1HD       LYS  31 -13.158 -20.576 -18.759
  292   2HD   LYS  31          2HD       LYS  31 -13.417 -18.927 -19.355
  293   1HE   LYS  31          1HE       LYS  31 -13.234 -20.463 -21.256
  294   2HE   LYS  31          2HE       LYS  31 -11.875 -19.328 -21.250
  295   1HZ   LYS  31          1HZ       LYS  31 -10.528 -21.042 -20.263
  296   2HZ   LYS  31          2HZ       LYS  31 -11.796 -22.096 -20.264
  297   3HZ   LYS  31          3HZ       LYS  31 -11.168 -21.554 -21.690
  298    H    ILE  32           H        ILE  32 -10.160 -18.849 -14.175
  299    HA   ILE  32           HA       ILE  32 -11.835 -16.871 -12.796
  300    HB   ILE  32           HB       ILE  32 -10.044 -19.156 -11.875
  301   1HG1  ILE  32          1HG1      ILE  32 -13.033 -18.752 -11.452
  302   2HG1  ILE  32          2HG1      ILE  32 -12.411 -19.525 -12.905
  303   1HG2  ILE  32          1HG2      ILE  32  -9.793 -17.474 -10.184
  304   2HG2  ILE  32          2HG2      ILE  32 -11.490 -17.022 -10.297
  305   3HG2  ILE  32          3HG2      ILE  32 -11.027 -18.568  -9.557
  306   1HD1  ILE  32          1HD1      ILE  32 -11.334 -21.271 -11.577
  307   2HD1  ILE  32          2HD1      ILE  32 -11.902 -20.530 -10.066
  308   3HD1  ILE  32          3HD1      ILE  32 -13.068 -21.183 -11.221
  309    H    LEU  33           H        LEU  33  -8.369 -17.646 -13.289
  310    HA   LEU  33           HA       LEU  33  -7.373 -15.625 -11.506
  311   1HB   LEU  33          1HB       LEU  33  -5.368 -16.462 -11.998
  312   2HB   LEU  33          2HB       LEU  33  -6.393 -17.832 -12.432
  313    HG   LEU  33           HG       LEU  33  -6.113 -17.207 -14.800
  314   1HD1  LEU  33          1HD1      LEU  33  -5.427 -15.058 -15.101
  315   2HD1  LEU  33          2HD1      LEU  33  -4.487 -15.043 -13.587
  316   3HD1  LEU  33          3HD1      LEU  33  -3.849 -15.848 -15.048
  317   1HD2  LEU  33          1HD2      LEU  33  -3.647 -17.698 -13.079
  318   2HD2  LEU  33          2HD2      LEU  33  -4.818 -18.944 -13.534
  319   3HD2  LEU  33          3HD2      LEU  33  -3.816 -18.183 -14.785
  320    H    GLU  34           H        GLU  34  -8.147 -15.741 -15.005
  321    HA   GLU  34           HA       GLU  34  -7.270 -13.137 -15.672
  322   1HB   GLU  34          1HB       GLU  34  -8.141 -15.052 -17.201
  323   2HB   GLU  34          2HB       GLU  34  -9.757 -14.498 -16.799
  324   1HG   GLU  34          1HG       GLU  34  -9.142 -12.205 -17.647
  325   2HG   GLU  34          2HG       GLU  34  -7.554 -12.837 -18.106
  326    H    ASP  35           H        ASP  35 -10.492 -14.285 -14.676
  327    HA   ASP  35           HA       ASP  35 -11.765 -11.772 -14.743
  328   1HB   ASP  35          1HB       ASP  35 -12.779 -14.131 -14.496
  329   2HB   ASP  35          2HB       ASP  35 -12.485 -13.946 -12.760
  330    H    GLU  36           H        GLU  36 -10.205 -13.444 -11.988
  331    HA   GLU  36           HA       GLU  36 -10.478 -11.445 -10.027
  332   1HB   GLU  36          1HB       GLU  36  -8.142 -13.352 -10.472
  333   2HB   GLU  36          2HB       GLU  36  -8.453 -12.412  -9.015
  334   1HG   GLU  36          1HG       GLU  36 -10.856 -13.929  -9.686
  335   2HG   GLU  36          2HG       GLU  36  -9.451 -15.000  -9.658
  336    H    GLU  37           H        GLU  37  -7.814 -11.888 -12.539
  337    HA   GLU  37           HA       GLU  37  -6.295  -9.781 -11.808
  338   1HB   GLU  37          1HB       GLU  37  -6.193 -11.641 -13.752
  339   2HB   GLU  37          2HB       GLU  37  -6.769 -10.333 -14.777
  340   1HG   GLU  37          1HG       GLU  37  -4.470  -9.920 -12.884
  341   2HG   GLU  37          2HG       GLU  37  -4.257 -10.950 -14.299
  342    H    LYS  38           H        LYS  38  -9.127  -9.684 -14.013
  343    HA   LYS  38           HA       LYS  38  -8.976  -6.880 -14.504
  344   1HB   LYS  38          1HB       LYS  38 -10.345  -8.514 -15.821
  345   2HB   LYS  38          2HB       LYS  38 -11.348  -8.781 -14.403
  346   1HG   LYS  38          1HG       LYS  38 -12.692  -7.420 -15.623
  347   2HG   LYS  38          2HG       LYS  38 -11.964  -6.250 -14.537
  348   1HD   LYS  38          1HD       LYS  38 -11.180  -6.790 -17.450
  349   2HD   LYS  38          2HD       LYS  38 -12.155  -5.440 -16.849
  350   1HE   LYS  38          1HE       LYS  38 -10.106  -4.771 -15.424
  351   2HE   LYS  38          2HE       LYS  38  -9.184  -5.925 -16.421
  352   1HZ   LYS  38          1HZ       LYS  38  -9.812  -4.714 -18.344
  353   2HZ   LYS  38          2HZ       LYS  38 -10.689  -3.636 -17.448
  354   3HZ   LYS  38          3HZ       LYS  38  -9.055  -3.733 -17.258
  355    H    HIS  39           H        HIS  39 -10.779  -8.664 -11.985
  356    HA   HIS  39           HA       HIS  39 -12.013  -6.388 -10.805
  357   1HB   HIS  39          1HB       HIS  39 -11.351  -9.193  -9.944
  358   2HB   HIS  39          2HB       HIS  39 -11.676  -8.042  -8.672
  359    HD1  HIS  39           HD1      HIS  39 -14.137  -6.829  -8.755
  360    HD2  HIS  39           HD2      HIS  39 -13.396  -9.790 -11.635
  361    HE1  HIS  39           HE1      HIS  39 -16.367  -7.289  -9.872
  362    HE2  HIS  39           HE2      HIS  39 -15.932  -9.164 -11.608
  363    H    ILE  40           H        ILE  40  -8.848  -7.832 -10.194
  364    HA   ILE  40           HA       ILE  40  -8.135  -6.029  -8.056
  365    HB   ILE  40           HB       ILE  40  -6.706  -8.077  -9.766
  366   1HG1  ILE  40          1HG1      ILE  40  -7.022  -8.048  -6.753
  367   2HG1  ILE  40          2HG1      ILE  40  -8.411  -8.459  -7.707
  368   1HG2  ILE  40          1HG2      ILE  40  -4.990  -6.374  -9.237
  369   2HG2  ILE  40          2HG2      ILE  40  -5.450  -6.453  -7.522
  370   3HG2  ILE  40          3HG2      ILE  40  -4.721  -7.859  -8.339
  371   1HD1  ILE  40          1HD1      ILE  40  -7.356 -10.325  -8.749
  372   2HD1  ILE  40          2HD1      ILE  40  -5.787  -9.947  -8.038
  373   3HD1  ILE  40          3HD1      ILE  40  -7.140 -10.468  -7.005
  374    H    GLU  41           H        GLU  41  -7.604  -6.156 -11.557
  375    HA   GLU  41           HA       GLU  41  -5.765  -4.073 -11.870
  376   1HB   GLU  41          1HB       GLU  41  -6.633  -5.685 -13.687
  377   2HB   GLU  41          2HB       GLU  41  -8.077  -4.656 -13.770
  378   1HG   GLU  41          1HG       GLU  41  -6.379  -2.720 -14.177
  379   2HG   GLU  41          2HG       GLU  41  -5.204  -4.018 -14.458
  380    H    TRP  42           H        TRP  42  -9.357  -3.999 -11.409
  381    HA   TRP  42           HA       TRP  42  -9.862  -1.352 -11.938
  382   1HB   TRP  42          1HB       TRP  42 -11.330  -3.313 -11.059
  383   2HB   TRP  42          2HB       TRP  42 -10.885  -2.738  -9.456
  384    HD1  TRP  42           HD1      TRP  42 -12.989  -1.928 -12.449
  385    HE1  TRP  42           HE1      TRP  42 -14.598   0.030 -11.914
  386    HE3  TRP  42           HE3      TRP  42 -11.001  -0.600  -8.026
  387    HZ2  TRP  42           HZ2      TRP  42 -14.827   2.063  -9.809
  388    HZ3  TRP  42           HZ3      TRP  42 -11.913   1.326  -6.707
  389    HH2  TRP  42           HH2      TRP  42 -13.741   2.730  -7.660
  390    H    LEU  43           H        LEU  43  -8.344  -2.733  -9.007
  391    HA   LEU  43           HA       LEU  43  -8.172  -0.206  -7.616
  392   1HB   LEU  43          1HB       LEU  43  -6.826  -2.942  -7.184
  393   2HB   LEU  43          2HB       LEU  43  -6.520  -1.573  -6.156
  394    HG   LEU  43           HG       LEU  43  -9.358  -1.837  -6.204
  395   1HD1  LEU  43          1HD1      LEU  43  -9.032  -4.149  -7.055
  396   2HD1  LEU  43          2HD1      LEU  43  -7.911  -4.498  -5.722
  397   3HD1  LEU  43          3HD1      LEU  43  -9.616  -4.167  -5.382
  398   1HD2  LEU  43          1HD2      LEU  43  -7.194  -2.549  -4.175
  399   2HD2  LEU  43          2HD2      LEU  43  -8.050  -1.011  -4.300
  400   3HD2  LEU  43          3HD2      LEU  43  -8.912  -2.473  -3.781
  401    H    GLU  44           H        GLU  44  -6.250  -1.455 -10.193
  402    HA   GLU  44           HA       GLU  44  -4.043   0.397  -9.410
  403   1HB   GLU  44          1HB       GLU  44  -2.537  -0.849 -10.560
  404   2HB   GLU  44          2HB       GLU  44  -3.660  -2.113 -10.058
  405   1HG   GLU  44          1HG       GLU  44  -4.751  -1.908 -12.307
  406   2HG   GLU  44          2HG       GLU  44  -3.462  -0.779 -12.761
  407    H    THR  45           H        THR  45  -6.544  -0.136 -11.649
  408    HA   THR  45           HA       THR  45  -5.570   1.748 -13.630
  409    HB   THR  45           HB       THR  45  -7.334  -0.290 -13.768
  410    HG1  THR  45           HG1      THR  45  -6.315   0.742 -15.487
  411   1HG2  THR  45          1HG2      THR  45  -9.219   0.837 -12.639
  412   2HG2  THR  45          2HG2      THR  45  -9.156   2.141 -13.850
  413   3HG2  THR  45          3HG2      THR  45  -9.555   0.486 -14.337
  414    H    ILE  46           H        ILE  46  -8.132   1.792 -11.152
  415    HA   ILE  46           HA       ILE  46  -9.183   4.164 -10.994
  416    HB   ILE  46           HB       ILE  46  -9.249   2.435  -9.294
  417   1HG1  ILE  46          1HG1      ILE  46  -8.531   4.689  -7.507
  418   2HG1  ILE  46          2HG1      ILE  46  -9.548   5.187  -8.874
  419   1HG2  ILE  46          1HG2      ILE  46  -6.798   2.017  -9.165
  420   2HG2  ILE  46          2HG2      ILE  46  -6.662   3.395  -8.064
  421   3HG2  ILE  46          3HG2      ILE  46  -7.689   2.030  -7.632
  422   1HD1  ILE  46          1HD1      ILE  46 -11.128   3.423  -8.440
  423   2HD1  ILE  46          2HD1      ILE  46 -10.137   2.826  -7.078
  424   3HD1  ILE  46          3HD1      ILE  46 -10.927   4.428  -6.984
  425    H    LEU  47           H        LEU  47  -5.757   3.898  -9.849
  426    HA   LEU  47           HA       LEU  47  -4.969   6.429 -10.835
  427   1HB   LEU  47          1HB       LEU  47  -6.379   7.294  -8.983
  428   2HB   LEU  47          2HB       LEU  47  -5.538   6.261  -7.830
  429    HG   LEU  47           HG       LEU  47  -3.688   7.971  -9.402
  430   1HD1  LEU  47          1HD1      LEU  47  -5.586   9.513  -9.407
  431   2HD1  LEU  47          2HD1      LEU  47  -5.752   9.348  -7.644
  432   3HD1  LEU  47          3HD1      LEU  47  -4.296  10.095  -8.341
  433   1HD2  LEU  47          1HD2      LEU  47  -4.216   7.748  -6.402
  434   2HD2  LEU  47          2HD2      LEU  47  -3.067   6.741  -7.309
  435   3HD2  LEU  47          3HD2      LEU  47  -2.799   8.488  -7.174
  436    H    GLY  48           H        GLY  48  -2.705   6.301 -10.922
  437   1HA   GLY  48          1HA       GLY  48  -1.174   4.732  -9.027
  438   2HA   GLY  48          2HA       GLY  48  -1.301   3.992 -10.643
  439   1HN   NH2  49          1HN       NH2  49   1.217   4.697  -9.932
  440   2HN   NH2  49          2HN       NH2  49   1.720   6.211 -10.731
  441   1H    ACE   0          H1        ACE   0  -3.627 -28.894   1.354
  442   2H    ACE   0          H2        ACE   0  -2.608 -27.453   1.425
  443   3H    ACE   0          H3        ACE   0  -3.490 -27.851  -0.066
  444    H    ASP   1           H        ASP   1   0.102 -29.089  -0.422
  445    HA   ASP   1           HA       ASP   1  -0.562 -26.688   0.942
  446   1HB   ASP   1          1HB       ASP   1   1.724 -27.299   0.158
  447   2HB   ASP   1          2HB       ASP   1   1.220 -26.963  -1.510
  448    H    TYR   2           H        TYR   2  -0.914 -27.640  -2.449
  449    HA   TYR   2           HA       TYR   2  -1.829 -25.643  -3.918
  450   1HB   TYR   2          1HB       TYR   2  -1.863 -27.706  -4.946
  451   2HB   TYR   2          2HB       TYR   2  -2.732 -28.477  -3.624
  452    HD1  TYR   2           HD1      TYR   2  -3.808 -25.442  -5.577
  453    HD2  TYR   2           HD2      TYR   2  -4.428 -29.630  -4.793
  454    HE1  TYR   2           HE1      TYR   2  -6.168 -25.233  -6.314
  455    HE2  TYR   2           HE2      TYR   2  -6.725 -29.453  -5.703
  456    HH   TYR   2           HH       TYR   2  -8.174 -26.327  -6.634
  457    H    LEU   3           H        LEU   3  -4.317 -27.451  -2.093
  458    HA   LEU   3           HA       LEU   3  -6.196 -25.472  -2.708
  459   1HB   LEU   3          1HB       LEU   3  -6.153 -27.566  -0.476
  460   2HB   LEU   3          2HB       LEU   3  -7.552 -26.509  -0.684
  461    HG   LEU   3           HG       LEU   3  -6.510 -28.203  -2.972
  462   1HD1  LEU   3          1HD1      LEU   3  -7.008 -29.732  -1.125
  463   2HD1  LEU   3          2HD1      LEU   3  -8.598 -28.970  -0.894
  464   3HD1  LEU   3          3HD1      LEU   3  -8.244 -29.864  -2.388
  465   1HD2  LEU   3          1HD2      LEU   3  -9.250 -26.984  -2.357
  466   2HD2  LEU   3          2HD2      LEU   3  -8.098 -26.345  -3.541
  467   3HD2  LEU   3          3HD2      LEU   3  -8.838 -27.930  -3.795
  468    H    ARG   4           H        ARG   4  -4.318 -25.653   0.276
  469    HA   ARG   4           HA       ARG   4  -5.637 -23.453   1.550
  470   1HB   ARG   4          1HB       ARG   4  -2.730 -24.329   1.741
  471   2HB   ARG   4          2HB       ARG   4  -3.574 -23.266   2.876
  472   1HG   ARG   4          1HG       ARG   4  -5.183 -25.131   3.399
  473   2HG   ARG   4          2HG       ARG   4  -4.301 -26.174   2.287
  474   1HD   ARG   4          1HD       ARG   4  -2.209 -25.525   3.741
  475   2HD   ARG   4          2HD       ARG   4  -3.408 -25.107   4.961
  476    HE   ARG   4           HE       ARG   4  -4.337 -27.384   4.770
  477   1HH1  ARG   4          1HH2      ARG   4  -0.938 -26.950   3.801
  478   2HH1  ARG   4          2HH2      ARG   4  -0.627 -28.655   3.714
  479   1HH2  ARG   4          1HH1      ARG   4  -3.917 -29.588   4.619
  480   2HH2  ARG   4          2HH1      ARG   4  -2.337 -30.178   4.191
  481    H    GLU   5           H        GLU   5  -3.435 -23.671  -1.179
  482    HA   GLU   5           HA       GLU   5  -2.237 -21.050  -0.749
  483   1HB   GLU   5          1HB       GLU   5  -1.176 -23.104  -1.951
  484   2HB   GLU   5          2HB       GLU   5  -2.164 -22.626  -3.345
  485   1HG   GLU   5          1HG       GLU   5  -1.112 -20.344  -3.231
  486   2HG   GLU   5          2HG       GLU   5  -0.075 -20.930  -1.918
  487    H    LEU   6           H        LEU   6  -4.867 -22.444  -2.712
  488    HA   LEU   6           HA       LEU   6  -5.631 -19.650  -3.523
  489   1HB   LEU   6          1HB       LEU   6  -6.697 -22.119  -4.820
  490   2HB   LEU   6          2HB       LEU   6  -6.831 -20.435  -5.304
  491    HG   LEU   6           HG       LEU   6  -4.177 -20.642  -5.699
  492   1HD1  LEU   6          1HD1      LEU   6  -4.818 -23.268  -4.736
  493   2HD1  LEU   6          2HD1      LEU   6  -4.601 -23.409  -6.471
  494   3HD1  LEU   6          3HD1      LEU   6  -3.304 -22.714  -5.465
  495   1HD2  LEU   6          1HD2      LEU   6  -6.398 -21.925  -7.342
  496   2HD2  LEU   6          2HD2      LEU   6  -5.819 -20.251  -7.409
  497   3HD2  LEU   6          3HD2      LEU   6  -4.781 -21.571  -7.965
  498    H    LEU   7           H        LEU   7  -6.124 -20.758  -0.816
  499    HA   LEU   7           HA       LEU   7  -8.976 -20.344  -0.878
  500   1HB   LEU   7          1HB       LEU   7  -8.613 -22.835  -1.183
  501   2HB   LEU   7          2HB       LEU   7  -7.967 -22.875   0.467
  502    HG   LEU   7           HG       LEU   7 -10.789 -22.080  -0.381
  503   1HD1  LEU   7          1HD1      LEU   7 -10.414 -24.421  -0.772
  504   2HD1  LEU   7          2HD1      LEU   7  -9.544 -24.620   0.764
  505   3HD1  LEU   7          3HD1      LEU   7 -11.285 -24.333   0.769
  506   1HD2  LEU   7          1HD2      LEU   7  -9.534 -22.378   2.387
  507   2HD2  LEU   7          2HD2      LEU   7 -10.359 -20.949   1.708
  508   3HD2  LEU   7          3HD2      LEU   7 -11.282 -22.393   2.092
  509    H    LYS   8           H        LYS   8  -6.465 -21.480   1.474
  510    HA   LYS   8           HA       LYS   8  -7.581 -19.982   3.575
  511   1HB   LYS   8          1HB       LYS   8  -4.853 -21.226   3.099
  512   2HB   LYS   8          2HB       LYS   8  -5.116 -20.217   4.500
  513   1HG   LYS   8          1HG       LYS   8  -7.251 -22.266   4.164
  514   2HG   LYS   8          2HG       LYS   8  -5.630 -22.944   4.336
  515   1HD   LYS   8          1HD       LYS   8  -6.593 -22.735   6.542
  516   2HD   LYS   8          2HD       LYS   8  -5.232 -21.617   6.376
  517   1HE   LYS   8          1HE       LYS   8  -6.944 -19.763   5.874
  518   2HE   LYS   8          2HE       LYS   8  -8.213 -20.937   6.263
  519   1HZ   LYS   8          1HZ       LYS   8  -7.196 -21.136   8.446
  520   2HZ   LYS   8          2HZ       LYS   8  -6.064 -20.007   8.040
  521   3HZ   LYS   8          3HZ       LYS   8  -7.652 -19.585   8.123
  522    H    LEU   9           H        LEU   9  -4.970 -19.337   1.236
  523    HA   LEU   9           HA       LEU   9  -4.390 -16.684   2.221
  524   1HB   LEU   9          1HB       LEU   9  -4.082 -17.791  -0.591
  525   2HB   LEU   9          2HB       LEU   9  -3.427 -16.264  -0.007
  526    HG   LEU   9           HG       LEU   9  -2.615 -19.042   0.956
  527   1HD1  LEU   9          1HD1      LEU   9  -1.706 -18.361  -1.265
  528   2HD1  LEU   9          2HD1      LEU   9  -1.075 -16.873  -0.544
  529   3HD1  LEU   9          3HD1      LEU   9  -0.440 -18.453  -0.035
  530   1HD2  LEU   9          1HD2      LEU   9  -1.708 -16.277   1.886
  531   2HD2  LEU   9          2HD2      LEU   9  -2.457 -17.549   2.883
  532   3HD2  LEU   9          3HD2      LEU   9  -0.834 -17.781   2.235
  533    H    GLU  10           H        GLU  10  -6.822 -17.961  -0.193
  534    HA   GLU  10           HA       GLU  10  -7.563 -15.416  -1.078
  535   1HB   GLU  10          1HB       GLU  10  -9.261 -17.916  -0.853
  536   2HB   GLU  10          2HB       GLU  10  -9.603 -16.452  -1.759
  537   1HG   GLU  10          1HG       GLU  10  -7.274 -18.301  -2.338
  538   2HG   GLU  10          2HG       GLU  10  -8.801 -18.316  -3.220
  539    H    LEU  11           H        LEU  11  -8.627 -17.360   1.692
  540    HA   LEU  11           HA       LEU  11 -10.945 -15.880   2.398
  541   1HB   LEU  11          1HB       LEU  11  -9.764 -18.137   3.374
  542   2HB   LEU  11          2HB       LEU  11  -9.087 -16.994   4.526
  543    HG   LEU  11           HG       LEU  11 -11.621 -16.213   4.784
  544   1HD1  LEU  11          1HD1      LEU  11 -12.432 -17.642   2.875
  545   2HD1  LEU  11          2HD1      LEU  11 -11.914 -19.087   3.762
  546   3HD1  LEU  11          3HD1      LEU  11 -13.215 -18.068   4.407
  547   1HD2  LEU  11          1HD2      LEU  11 -10.549 -18.844   5.898
  548   2HD2  LEU  11          2HD2      LEU  11 -10.309 -17.222   6.588
  549   3HD2  LEU  11          3HD2      LEU  11 -11.932 -17.936   6.552
  550    H    GLN  12           H        GLN  12  -7.521 -15.385   3.300
  551    HA   GLN  12           HA       GLN  12  -7.969 -13.225   5.078
  552   1HB   GLN  12          1HB       GLN  12  -5.827 -14.687   4.731
  553   2HB   GLN  12          2HB       GLN  12  -5.570 -13.778   3.243
  554   1HG   GLN  12          1HG       GLN  12  -5.851 -11.746   5.121
  555   2HG   GLN  12          2HG       GLN  12  -5.087 -13.023   6.059
  556   1HE2  GLN  12          2HE2      GLN  12  -4.808 -11.445   2.793
  557   2HE2  GLN  12          1HE2      GLN  12  -3.055 -11.416   2.815
  558    H    LEU  13           H        LEU  13  -7.968 -13.369   1.569
  559    HA   LEU  13           HA       LEU  13  -7.449 -10.551   1.139
  560   1HB   LEU  13          1HB       LEU  13  -9.008 -12.373  -0.709
  561   2HB   LEU  13          2HB       LEU  13  -8.133 -10.895  -1.082
  562    HG   LEU  13           HG       LEU  13  -6.816 -13.472  -0.170
  563   1HD1  LEU  13          1HD1      LEU  13  -8.052 -13.714  -2.289
  564   2HD1  LEU  13          2HD1      LEU  13  -7.277 -12.274  -2.905
  565   3HD1  LEU  13          3HD1      LEU  13  -6.300 -13.746  -2.532
  566   1HD2  LEU  13          1HD2      LEU  13  -5.581 -10.984  -1.415
  567   2HD2  LEU  13          2HD2      LEU  13  -5.482 -11.406   0.306
  568   3HD2  LEU  13          3HD2      LEU  13  -4.739 -12.454  -0.892
  569    H    ILE  14           H        ILE  14 -10.345 -12.706   1.094
  570    HA   ILE  14           HA       ILE  14 -12.253 -10.630   0.721
  571    HB   ILE  14           HB       ILE  14 -12.472 -13.328   2.207
  572   1HG1  ILE  14          1HG1      ILE  14 -11.741 -13.800   0.024
  573   2HG1  ILE  14          2HG1      ILE  14 -13.474 -14.061  -0.002
  574   1HG2  ILE  14          1HG2      ILE  14 -14.426 -11.897   2.755
  575   2HG2  ILE  14          2HG2      ILE  14 -14.708 -11.582   1.036
  576   3HG2  ILE  14          3HG2      ILE  14 -14.892 -13.219   1.685
  577   1HD1  ILE  14          1HD1      ILE  14 -13.645 -11.626  -0.923
  578   2HD1  ILE  14          2HD1      ILE  14 -11.885 -11.744  -1.163
  579   3HD1  ILE  14          3HD1      ILE  14 -12.970 -12.849  -1.997
  580    H    LYS  15           H        LYS  15 -11.176 -12.044   3.773
  581    HA   LYS  15           HA       LYS  15 -12.254 -10.185   5.534
  582   1HB   LYS  15          1HB       LYS  15 -10.301 -12.280   5.580
  583   2HB   LYS  15          2HB       LYS  15  -9.483 -10.876   6.160
  584   1HG   LYS  15          1HG       LYS  15 -10.479 -11.909   8.099
  585   2HG   LYS  15          2HG       LYS  15 -11.584 -10.578   7.722
  586   1HD   LYS  15          1HD       LYS  15 -12.728 -12.446   6.140
  587   2HD   LYS  15          2HD       LYS  15 -11.863 -13.565   7.198
  588   1HE   LYS  15          1HE       LYS  15 -13.024 -12.485   9.175
  589   2HE   LYS  15          2HE       LYS  15 -13.898 -11.441   8.035
  590   1HZ   LYS  15          1HZ       LYS  15 -14.797 -13.428   7.025
  591   2HZ   LYS  15          2HZ       LYS  15 -14.043 -14.369   8.147
  592   3HZ   LYS  15          3HZ       LYS  15 -15.215 -13.310   8.613
  593    H    GLN  16           H        GLN  16  -9.057  -9.820   3.839
  594    HA   GLN  16           HA       GLN  16  -8.503  -7.257   5.060
  595   1HB   GLN  16          1HB       GLN  16  -7.392  -8.808   2.707
  596   2HB   GLN  16          2HB       GLN  16  -6.969  -7.117   2.871
  597   1HG   GLN  16          1HG       GLN  16  -6.589  -8.964   5.235
  598   2HG   GLN  16          2HG       GLN  16  -5.409  -8.883   3.916
  599   1HE2  GLN  16          2HE2      GLN  16  -3.678  -7.787   4.898
  600   2HE2  GLN  16          1HE2      GLN  16  -3.844  -6.141   5.483
  601    H    TYR  17           H        TYR  17 -10.382  -8.267   2.333
  602    HA   TYR  17           HA       TYR  17 -10.379  -5.744   0.928
  603   1HB   TYR  17          1HB       TYR  17 -11.726  -8.435   0.659
  604   2HB   TYR  17          2HB       TYR  17 -12.457  -7.064  -0.076
  605    HD1  TYR  17           HD1      TYR  17 -11.426  -5.593  -1.706
  606    HD2  TYR  17           HD2      TYR  17 -10.369  -9.663  -0.906
  607    HE1  TYR  17           HE1      TYR  17 -10.445  -5.787  -3.964
  608    HE2  TYR  17           HE2      TYR  17  -9.271  -9.829  -3.085
  609    HH   TYR  17           HH       TYR  17  -8.935  -8.816  -5.104
  610    H    ARG  18           H        ARG  18 -12.114  -7.158   3.558
  611    HA   ARG  18           HA       ARG  18 -14.250  -5.109   3.524
  612   1HB   ARG  18          1HB       ARG  18 -13.602  -7.366   5.465
  613   2HB   ARG  18          2HB       ARG  18 -14.774  -6.083   5.791
  614   1HG   ARG  18          1HG       ARG  18 -15.996  -6.676   3.699
  615   2HG   ARG  18          2HG       ARG  18 -14.907  -8.061   3.473
  616   1HD   ARG  18          1HD       ARG  18 -15.676  -9.079   5.535
  617   2HD   ARG  18          2HD       ARG  18 -16.526  -7.587   6.012
  618    HE   ARG  18           HE       ARG  18 -17.492  -8.595   3.494
  619   1HH1  ARG  18          1HH2      ARG  18 -17.677  -9.124   6.970
  620   2HH1  ARG  18          2HH2      ARG  18 -19.328  -9.683   6.961
  621   1HH2  ARG  18          1HH1      ARG  18 -19.653  -9.311   3.438
  622   2HH2  ARG  18          2HH1      ARG  18 -20.477  -9.804   4.889
  623    H    GLU  19           H        GLU  19 -11.300  -5.983   5.215
  624    HA   GLU  19           HA       GLU  19 -11.305  -3.875   7.089
  625   1HB   GLU  19          1HB       GLU  19  -9.700  -5.864   6.966
  626   2HB   GLU  19          2HB       GLU  19  -8.766  -4.899   5.804
  627   1HG   GLU  19          1HG       GLU  19  -8.541  -3.093   7.473
  628   2HG   GLU  19          2HG       GLU  19  -9.513  -4.024   8.627
  629    H    ALA  20           H        ALA  20 -10.084  -3.903   3.686
  630    HA   ALA  20           HA       ALA  20  -9.153  -1.136   3.974
  631   1HB   ALA  20          1HB       ALA  20  -8.250  -2.846   2.298
  632   2HB   ALA  20          2HB       ALA  20  -9.726  -2.445   1.356
  633   3HB   ALA  20          3HB       ALA  20  -8.536  -1.190   1.722
  634    H    LEU  21           H        LEU  21 -12.182  -2.668   2.919
  635    HA   LEU  21           HA       LEU  21 -13.416  -0.795   1.434
  636   1HB   LEU  21          1HB       LEU  21 -14.397  -2.969   2.261
  637   2HB   LEU  21          2HB       LEU  21 -14.717  -2.179   3.813
  638    HG   LEU  21           HG       LEU  21 -16.228  -0.548   2.666
  639   1HD1  LEU  21          1HD1      LEU  21 -15.362  -0.582   0.396
  640   2HD1  LEU  21          2HD1      LEU  21 -15.607  -2.330   0.282
  641   3HD1  LEU  21          3HD1      LEU  21 -17.004  -1.226   0.345
  642   1HD2  LEU  21          1HD2      LEU  21 -16.790  -3.527   2.446
  643   2HD2  LEU  21          2HD2      LEU  21 -17.136  -2.458   3.811
  644   3HD2  LEU  21          3HD2      LEU  21 -18.028  -2.253   2.293
  645    H    GLU  22           H        GLU  22 -13.011  -0.574   4.944
  646    HA   GLU  22           HA       GLU  22 -14.654   1.837   5.176
  647   1HB   GLU  22          1HB       GLU  22 -13.944   1.670   7.608
  648   2HB   GLU  22          2HB       GLU  22 -14.992   0.389   6.980
  649   1HG   GLU  22          1HG       GLU  22 -13.173  -1.168   6.803
  650   2HG   GLU  22          2HG       GLU  22 -11.980   0.114   7.111
  651    H    TYR  23           H        TYR  23 -11.259   1.084   4.821
  652    HA   TYR  23           HA       TYR  23 -10.331   3.731   5.616
  653   1HB   TYR  23          1HB       TYR  23  -9.176   1.290   4.253
  654   2HB   TYR  23          2HB       TYR  23  -8.414   2.832   4.004
  655    HD1  TYR  23           HD1      TYR  23  -9.802   0.809   6.884
  656    HD2  TYR  23           HD2      TYR  23  -6.653   3.385   5.454
  657    HE1  TYR  23           HE1      TYR  23  -8.738   0.734   9.104
  658    HE2  TYR  23           HE2      TYR  23  -5.533   3.223   7.658
  659    HH   TYR  23           HH       TYR  23  -6.960   1.418  10.386
  660    H    VAL  24           H        VAL  24 -11.371   2.057   2.643
  661    HA   VAL  24           HA       VAL  24 -10.687   4.412   1.018
  662    HB   VAL  24           HB       VAL  24 -11.931   1.762   0.211
  663   1HG1  VAL  24          1HG1      VAL  24 -12.342   3.461  -1.510
  664   2HG1  VAL  24          2HG1      VAL  24 -10.677   4.057  -1.382
  665   3HG1  VAL  24          3HG1      VAL  24 -10.998   2.458  -2.066
  666   1HG2  VAL  24          1HG2      VAL  24  -9.060   2.773   0.095
  667   2HG2  VAL  24          2HG2      VAL  24  -9.631   1.508   1.196
  668   3HG2  VAL  24          3HG2      VAL  24  -9.618   1.219  -0.544
  669    H    LYS  25           H        LYS  25 -13.623   2.950   2.304
  670    HA   LYS  25           HA       LYS  25 -15.777   3.544   2.329
  671   1HB   LYS  25          1HB       LYS  25 -14.789   6.374   1.797
  672   2HB   LYS  25          2HB       LYS  25 -16.350   5.892   2.471
  673   1HG   LYS  25          1HG       LYS  25 -15.120   4.779   4.380
  674   2HG   LYS  25          2HG       LYS  25 -13.607   5.452   3.749
  675   1HD   LYS  25          1HD       LYS  25 -14.452   7.735   4.003
  676   2HD   LYS  25          2HD       LYS  25 -16.035   7.124   4.536
  677   1HE   LYS  25          1HE       LYS  25 -14.923   6.008   6.488
  678   2HE   LYS  25          2HE       LYS  25 -13.369   6.681   5.973
  679   1HZ   LYS  25          1HZ       LYS  25 -14.286   8.867   6.283
  680   2HZ   LYS  25          2HZ       LYS  25 -15.743   8.242   6.735
  681   3HZ   LYS  25          3HZ       LYS  25 -14.414   7.992   7.674
  682    H    LEU  26           H        LEU  26 -15.057   2.361   0.007
  683    HA   LEU  26           HA       LEU  26 -16.668   3.770  -2.097
  684   1HB   LEU  26          1HB       LEU  26 -14.341   3.741  -2.746
  685   2HB   LEU  26          2HB       LEU  26 -14.219   2.031  -2.328
  686    HG   LEU  26           HG       LEU  26 -16.047   1.669  -4.169
  687   1HD1  LEU  26          1HD1      LEU  26 -16.581   4.062  -4.621
  688   2HD1  LEU  26          2HD1      LEU  26 -14.896   4.323  -5.124
  689   3HD1  LEU  26          3HD1      LEU  26 -15.939   3.247  -6.055
  690   1HD2  LEU  26          1HD2      LEU  26 -13.257   2.442  -5.044
  691   2HD2  LEU  26          2HD2      LEU  26 -13.681   0.890  -4.289
  692   3HD2  LEU  26          3HD2      LEU  26 -14.393   1.325  -5.831
  693    HA   PRO  27           HA       PRO  27 -19.014  -0.054  -1.181
  694   1HB   PRO  27          1HB       PRO  27 -21.071   0.238  -2.995
  695   2HB   PRO  27          2HB       PRO  27 -20.994   1.061  -1.415
  696   1HG   PRO  27          1HG       PRO  27 -20.199   2.170  -4.113
  697   2HG   PRO  27          2HG       PRO  27 -21.190   2.955  -2.852
  698   1HD   PRO  27          1HD       PRO  27 -18.556   3.503  -3.137
  699   2HD   PRO  27          2HD       PRO  27 -19.271   3.395  -1.502
  700    H    VAL  28           H        VAL  28 -18.210   1.032  -4.515
  701    HA   VAL  28           HA       VAL  28 -18.366  -1.407  -5.852
  702    HB   VAL  28           HB       VAL  28 -16.628   0.976  -6.235
  703   1HG1  VAL  28          1HG1      VAL  28 -15.163  -0.768  -7.045
  704   2HG1  VAL  28          2HG1      VAL  28 -16.517  -1.595  -7.857
  705   3HG1  VAL  28          3HG1      VAL  28 -15.940  -0.032  -8.447
  706   1HG2  VAL  28          1HG2      VAL  28 -18.745  -0.298  -7.998
  707   2HG2  VAL  28          2HG2      VAL  28 -19.031   1.072  -6.893
  708   3HG2  VAL  28          3HG2      VAL  28 -17.925   1.250  -8.269
  709    H    LEU  29           H        LEU  29 -15.815  -0.393  -3.522
  710    HA   LEU  29           HA       LEU  29 -13.976  -2.507  -4.235
  711   1HB   LEU  29          1HB       LEU  29 -14.092  -0.370  -2.333
  712   2HB   LEU  29          2HB       LEU  29 -14.047  -1.832  -1.357
  713    HG   LEU  29           HG       LEU  29 -12.101  -1.223  -3.608
  714   1HD1  LEU  29          1HD1      LEU  29 -11.974   0.439  -1.792
  715   2HD1  LEU  29          2HD1      LEU  29 -11.771  -0.856  -0.594
  716   3HD1  LEU  29          3HD1      LEU  29 -10.526  -0.587  -1.837
  717   1HD2  LEU  29          1HD2      LEU  29 -11.997  -3.240  -1.307
  718   2HD2  LEU  29          2HD2      LEU  29 -12.306  -3.652  -3.010
  719   3HD2  LEU  29          3HD2      LEU  29 -10.746  -2.975  -2.538
  720    H    ALA  30           H        ALA  30 -16.743  -2.336  -1.948
  721    HA   ALA  30           HA       ALA  30 -16.011  -4.853  -1.004
  722   1HB   ALA  30          1HB       ALA  30 -17.507  -3.524   0.381
  723   2HB   ALA  30          2HB       ALA  30 -18.754  -3.443  -0.876
  724   3HB   ALA  30          3HB       ALA  30 -18.409  -4.973  -0.045
  725    H    LYS  31           H        LYS  31 -17.903  -3.551  -3.751
  726    HA   LYS  31           HA       LYS  31 -19.410  -5.933  -4.388
  727   1HB   LYS  31          1HB       LYS  31 -19.891  -3.509  -5.201
  728   2HB   LYS  31          2HB       LYS  31 -18.654  -3.851  -6.431
  729   1HG   LYS  31          1HG       LYS  31 -20.085  -6.090  -6.769
  730   2HG   LYS  31          2HG       LYS  31 -21.360  -5.160  -5.988
  731   1HD   LYS  31          1HD       LYS  31 -19.818  -4.453  -8.536
  732   2HD   LYS  31          2HD       LYS  31 -21.479  -5.059  -8.445
  733   1HE   LYS  31          1HE       LYS  31 -22.142  -2.996  -7.174
  734   2HE   LYS  31          2HE       LYS  31 -20.491  -2.372  -7.368
  735   1HZ   LYS  31          1HZ       LYS  31 -20.802  -2.476  -9.737
  736   2HZ   LYS  31          2HZ       LYS  31 -22.343  -3.028  -9.549
  737   3HZ   LYS  31          3HZ       LYS  31 -21.943  -1.514  -9.036
  738    H    ILE  32           H        ILE  32 -16.251  -4.634  -5.295
  739    HA   ILE  32           HA       ILE  32 -15.643  -6.496  -7.382
  740    HB   ILE  32           HB       ILE  32 -14.058  -4.699  -5.513
  741   1HG1  ILE  32          1HG1      ILE  32 -14.143  -4.782  -8.553
  742   2HG1  ILE  32          2HG1      ILE  32 -15.325  -3.898  -7.585
  743   1HG2  ILE  32          1HG2      ILE  32 -12.596  -6.598  -5.651
  744   2HG2  ILE  32          2HG2      ILE  32 -12.853  -6.741  -7.388
  745   3HG2  ILE  32          3HG2      ILE  32 -11.964  -5.363  -6.735
  746   1HD1  ILE  32          1HD1      ILE  32 -13.466  -2.592  -6.535
  747   2HD1  ILE  32          2HD1      ILE  32 -12.327  -3.382  -7.647
  748   3HD1  ILE  32          3HD1      ILE  32 -13.633  -2.373  -8.284
  749    H    LEU  33           H        LEU  33 -14.955  -6.333  -3.877
  750    HA   LEU  33           HA       LEU  33 -13.858  -8.967  -3.926
  751   1HB   LEU  33          1HB       LEU  33 -13.513  -8.655  -1.571
  752   2HB   LEU  33          2HB       LEU  33 -13.620  -6.993  -2.188
  753    HG   LEU  33           HG       LEU  33 -15.972  -6.980  -1.594
  754   1HD1  LEU  33          1HD1      LEU  33 -16.882  -9.039  -1.148
  755   2HD1  LEU  33          2HD1      LEU  33 -15.323  -9.676  -0.539
  756   3HD1  LEU  33          3HD1      LEU  33 -16.363  -8.637   0.477
  757   1HD2  LEU  33          1HD2      LEU  33 -14.259  -7.461   0.796
  758   2HD2  LEU  33          2HD2      LEU  33 -14.208  -5.963  -0.223
  759   3HD2  LEU  33          3HD2      LEU  33 -15.676  -6.411   0.663
  760    H    GLU  34           H        GLU  34 -17.212  -8.089  -3.716
  761    HA   GLU  34           HA       GLU  34 -18.034 -10.561  -2.693
  762   1HB   GLU  34          1HB       GLU  34 -19.389  -8.434  -3.133
  763   2HB   GLU  34          2HB       GLU  34 -19.515  -8.923  -4.812
  764   1HG   GLU  34          1HG       GLU  34 -20.454 -10.649  -2.475
  765   2HG   GLU  34          2HG       GLU  34 -21.496  -9.502  -3.329
  766    H    ASP  35           H        ASP  35 -17.508  -9.417  -5.979
  767    HA   ASP  35           HA       ASP  35 -18.108 -11.767  -7.438
  768   1HB   ASP  35          1HB       ASP  35 -17.541  -9.408  -8.300
  769   2HB   ASP  35          2HB       ASP  35 -15.839  -9.885  -8.179
  770    H    GLU  36           H        GLU  36 -14.947 -10.689  -6.094
  771    HA   GLU  36           HA       GLU  36 -13.471 -13.012  -6.771
  772   1HB   GLU  36          1HB       GLU  36 -12.996 -11.230  -4.370
  773   2HB   GLU  36          2HB       GLU  36 -11.891 -12.391  -5.111
  774   1HG   GLU  36          1HG       GLU  36 -12.638 -10.882  -7.323
  775   2HG   GLU  36          2HG       GLU  36 -12.645  -9.660  -6.047
  776    H    GLU  37           H        GLU  37 -15.483 -12.409  -3.857
  777    HA   GLU  37           HA       GLU  37 -14.960 -14.714  -2.441
  778   1HB   GLU  37          1HB       GLU  37 -16.690 -12.555  -2.291
  779   2HB   GLU  37          2HB       GLU  37 -17.845 -13.831  -2.613
  780   1HG   GLU  37          1HG       GLU  37 -15.704 -14.047  -0.455
  781   2HG   GLU  37          2HG       GLU  37 -17.163 -13.088  -0.237
  782    H    LYS  38           H        LYS  38 -17.244 -14.338  -5.196
  783    HA   LYS  38           HA       LYS  38 -18.108 -17.072  -5.195
  784   1HB   LYS  38          1HB       LYS  38 -19.146 -15.083  -6.416
  785   2HB   LYS  38          2HB       LYS  38 -17.843 -15.243  -7.604
  786   1HG   LYS  38          1HG       LYS  38 -18.561 -17.714  -7.864
  787   2HG   LYS  38          2HG       LYS  38 -19.976 -17.313  -6.881
  788   1HD   LYS  38          1HD       LYS  38 -20.651 -15.623  -8.585
  789   2HD   LYS  38          2HD       LYS  38 -19.186 -15.987  -9.523
  790   1HE   LYS  38          1HE       LYS  38 -19.942 -18.376  -9.738
  791   2HE   LYS  38          2HE       LYS  38 -21.433 -17.963  -8.875
  792   1HZ   LYS  38          1HZ       LYS  38 -21.938 -16.427 -10.644
  793   2HZ   LYS  38          2HZ       LYS  38 -20.550 -16.828 -11.438
  794   3HZ   LYS  38          3HZ       LYS  38 -21.735 -17.955 -11.231
  795    H    HIS  39           H        HIS  39 -15.396 -15.475  -6.934
  796    HA   HIS  39           HA       HIS  39 -14.583 -17.781  -8.400
  797   1HB   HIS  39          1HB       HIS  39 -13.016 -15.400  -7.335
  798   2HB   HIS  39          2HB       HIS  39 -12.283 -16.672  -8.279
  799    HD1  HIS  39           HD1      HIS  39 -13.784 -17.116 -10.742
  800    HD2  HIS  39           HD2      HIS  39 -14.038 -13.409  -8.763
  801    HE1  HIS  39           HE1      HIS  39 -14.701 -15.421 -12.444
  802    HE2  HIS  39           HE2      HIS  39 -14.866 -13.174 -11.181
  803    H    ILE  40           H        ILE  40 -13.805 -16.751  -5.096
  804    HA   ILE  40           HA       ILE  40 -11.962 -18.925  -4.586
  805    HB   ILE  40           HB       ILE  40 -13.436 -17.044  -2.721
  806   1HG1  ILE  40          1HG1      ILE  40 -10.535 -16.932  -3.573
  807   2HG1  ILE  40          2HG1      ILE  40 -11.698 -16.196  -4.610
  808   1HG2  ILE  40          1HG2      ILE  40 -12.582 -19.056  -1.496
  809   2HG2  ILE  40          2HG2      ILE  40 -10.996 -18.852  -2.253
  810   3HG2  ILE  40          3HG2      ILE  40 -11.606 -17.645  -1.106
  811   1HD1  ILE  40          1HD1      ILE  40 -12.569 -14.758  -2.932
  812   2HD1  ILE  40          2HD1      ILE  40 -11.518 -15.421  -1.684
  813   3HD1  ILE  40          3HD1      ILE  40 -10.815 -14.525  -3.055
  814    H    GLU  41           H        GLU  41 -15.457 -18.368  -4.077
  815    HA   GLU  41           HA       GLU  41 -16.117 -20.629  -2.590
  816   1HB   GLU  41          1HB       GLU  41 -17.639 -18.673  -3.344
  817   2HB   GLU  41          2HB       GLU  41 -17.824 -19.580  -4.862
  818   1HG   GLU  41          1HG       GLU  41 -18.453 -21.582  -3.248
  819   2HG   GLU  41          2HG       GLU  41 -18.740 -20.285  -2.080
  820    H    TRP  42           H        TRP  42 -15.477 -20.286  -6.121
  821    HA   TRP  42           HA       TRP  42 -16.296 -22.749  -7.019
  822   1HB   TRP  42          1HB       TRP  42 -15.180 -20.707  -8.184
  823   2HB   TRP  42          2HB       TRP  42 -13.667 -21.556  -7.890
  824    HD1  TRP  42           HD1      TRP  42 -16.835 -21.739  -9.923
  825    HE1  TRP  42           HE1      TRP  42 -16.738 -23.704 -11.594
  826    HE3  TRP  42           HE3      TRP  42 -12.558 -23.830  -8.304
  827    HZ2  TRP  42           HZ2      TRP  42 -15.050 -26.065 -11.998
  828    HZ3  TRP  42           HZ3      TRP  42 -11.677 -25.963  -9.316
  829    HH2  TRP  42           HH2      TRP  42 -13.034 -27.159 -11.020
  830    H    LEU  43           H        LEU  43 -13.406 -21.934  -5.177
  831    HA   LEU  43           HA       LEU  43 -12.244 -24.635  -5.316
  832   1HB   LEU  43          1HB       LEU  43 -11.454 -22.180  -3.694
  833   2HB   LEU  43          2HB       LEU  43 -10.646 -23.739  -3.665
  834    HG   LEU  43           HG       LEU  43 -10.900 -23.106  -6.441
  835   1HD1  LEU  43          1HD1      LEU  43 -11.382 -20.788  -5.902
  836   2HD1  LEU  43          2HD1      LEU  43  -9.969 -20.681  -4.846
  837   3HD1  LEU  43          3HD1      LEU  43  -9.756 -20.907  -6.590
  838   1HD2  LEU  43          1HD2      LEU  43  -8.601 -23.038  -4.483
  839   2HD2  LEU  43          2HD2      LEU  43  -9.094 -24.377  -5.523
  840   3HD2  LEU  43          3HD2      LEU  43  -8.402 -22.911  -6.252
  841    H    GLU  44           H        GLU  44 -14.064 -22.619  -2.961
  842    HA   GLU  44           HA       GLU  44 -14.212 -24.882  -1.064
  843   1HB   GLU  44          1HB       GLU  44 -15.673 -22.212  -0.988
  844   2HB   GLU  44          2HB       GLU  44 -15.651 -23.453   0.264
  845   1HG   GLU  44          1HG       GLU  44 -13.107 -23.239   0.264
  846   2HG   GLU  44          2HG       GLU  44 -13.321 -21.737  -0.651
  847    H    THR  45           H        THR  45 -15.195 -25.430  -3.741
  848    HA   THR  45           HA       THR  45 -17.656 -26.679  -2.788
  849    HB   THR  45           HB       THR  45 -18.175 -24.424  -3.866
  850    HG1  THR  45           HG1      THR  45 -19.747 -26.077  -3.485
  851   1HG2  THR  45          1HG2      THR  45 -16.886 -24.519  -5.847
  852   2HG2  THR  45          2HG2      THR  45 -17.856 -25.863  -6.494
  853   3HG2  THR  45          3HG2      THR  45 -18.589 -24.269  -6.197
  854    H    ILE  46           H        ILE  46 -15.475 -26.094  -5.484
  855    HA   ILE  46           HA       ILE  46 -14.910 -27.441  -7.249
  856    HB   ILE  46           HB       ILE  46 -13.167 -27.606  -5.624
  857   1HG1  ILE  46          1HG1      ILE  46 -12.017 -29.640  -6.308
  858   2HG1  ILE  46          2HG1      ILE  46 -13.498 -30.298  -7.007
  859   1HG2  ILE  46          1HG2      ILE  46 -14.279 -28.546  -3.685
  860   2HG2  ILE  46          2HG2      ILE  46 -14.460 -30.114  -4.497
  861   3HG2  ILE  46          3HG2      ILE  46 -12.854 -29.490  -4.103
  862   1HD1  ILE  46          1HD1      ILE  46 -13.545 -28.467  -8.663
  863   2HD1  ILE  46          2HD1      ILE  46 -12.176 -27.681  -7.836
  864   3HD1  ILE  46          3HD1      ILE  46 -11.949 -29.232  -8.672
  865    H    LEU  47           H        LEU  47 -17.215 -27.763  -7.738
  866    HA   LEU  47           HA       LEU  47 -18.935 -28.977  -8.537
  867   1HB   LEU  47          1HB       LEU  47 -16.915 -31.255  -8.498
  868   2HB   LEU  47          2HB       LEU  47 -18.573 -31.503  -8.974
  869    HG   LEU  47           HG       LEU  47 -17.137 -31.275 -10.861
  870   1HD1  LEU  47          1HD1      LEU  47 -19.546 -30.650 -10.978
  871   2HD1  LEU  47          2HD1      LEU  47 -19.091 -28.946 -10.766
  872   3HD1  LEU  47          3HD1      LEU  47 -18.532 -29.843 -12.185
  873   1HD2  LEU  47          1HD2      LEU  47 -16.707 -28.356 -10.128
  874   2HD2  LEU  47          2HD2      LEU  47 -15.495 -29.650  -9.956
  875   3HD2  LEU  47          3HD2      LEU  47 -16.112 -29.212 -11.560
  876    H    GLY  48           H        GLY  48 -18.643 -28.510  -5.653
  877   1HA   GLY  48          1HA       GLY  48 -20.665 -30.524  -4.722
  878   2HA   GLY  48          2HA       GLY  48 -19.465 -29.715  -3.704
  879   1HN   NH2  49          1HN       NH2  49 -21.439 -28.338  -6.392
  880   2HN   NH2  49          2HN       NH2  49 -22.312 -27.162  -5.374
  Start of MODEL    3
    1   1H    ACE   0          H1        ACE   0   2.099  -1.037   6.231
    2   2H    ACE   0          H2        ACE   0   0.763  -1.617   5.214
    3   3H    ACE   0          H3        ACE   0   2.206  -2.628   5.438
    4    H    ASP   1           H        ASP   1   4.291  -1.328   4.902
    5    HA   ASP   1           HA       ASP   1   4.948   0.710   3.401
    6   1HB   ASP   1          1HB       ASP   1   6.556  -0.992   3.979
    7   2HB   ASP   1          2HB       ASP   1   5.764  -2.193   2.950
    8    H    TYR   2           H        TYR   2   3.827  -2.229   1.770
    9    HA   TYR   2           HA       TYR   2   4.087  -1.284  -0.826
   10   1HB   TYR   2          1HB       TYR   2   3.553  -3.631   0.318
   11   2HB   TYR   2          2HB       TYR   2   1.906  -3.236  -0.147
   12    HD1  TYR   2           HD1      TYR   2   5.374  -3.228  -1.662
   13    HD2  TYR   2           HD2      TYR   2   1.209  -4.123  -2.237
   14    HE1  TYR   2           HE1      TYR   2   5.985  -5.090  -3.184
   15    HE2  TYR   2           HE2      TYR   2   1.821  -5.986  -3.771
   16    HH   TYR   2           HH       TYR   2   5.135  -6.592  -4.856
   17    H    LEU   3           H        LEU   3   1.491  -0.596   1.392
   18    HA   LEU   3           HA       LEU   3  -0.025   0.699  -0.758
   19   1HB   LEU   3          1HB       LEU   3  -1.147  -1.028   1.507
   20   2HB   LEU   3          2HB       LEU   3  -2.160  -0.095   0.404
   21    HG   LEU   3           HG       LEU   3  -0.352  -2.380  -0.493
   22   1HD1  LEU   3          1HD1      LEU   3  -2.136  -3.173   1.019
   23   2HD1  LEU   3          2HD1      LEU   3  -3.352  -2.321   0.042
   24   3HD1  LEU   3          3HD1      LEU   3  -2.443  -3.680  -0.651
   25   1HD2  LEU   3          1HD2      LEU   3  -2.597  -0.855  -1.898
   26   2HD2  LEU   3          2HD2      LEU   3  -0.869  -0.763  -2.306
   27   3HD2  LEU   3          3HD2      LEU   3  -1.752  -2.274  -2.547
   28    H    ARG   4           H        ARG   4   1.110   1.069   2.496
   29    HA   ARG   4           HA       ARG   4  -0.789   3.050   3.185
   30   1HB   ARG   4          1HB       ARG   4   2.142   2.953   3.979
   31   2HB   ARG   4          2HB       ARG   4   0.941   4.093   4.596
   32   1HG   ARG   4          1HG       ARG   4  -0.447   1.892   5.171
   33   2HG   ARG   4          2HG       ARG   4   1.136   1.128   5.039
   34   1HD   ARG   4          1HD       ARG   4   0.975   1.678   7.314
   35   2HD   ARG   4          2HD       ARG   4   1.989   2.973   6.635
   36    HE   ARG   4           HE       ARG   4  -0.790   3.700   6.524
   37   1HH1  ARG   4          1HH2      ARG   4   1.899   3.395   8.771
   38   2HH1  ARG   4          2HH2      ARG   4   1.166   4.339  10.037
   39   1HH2  ARG   4          1HH1      ARG   4  -1.833   4.869   8.192
   40   2HH2  ARG   4          2HH1      ARG   4  -1.004   5.228   9.681
   41    H    GLU   5           H        GLU   5   1.977   3.149   0.989
   42    HA   GLU   5           HA       GLU   5   1.717   6.107   0.801
   43   1HB   GLU   5          1HB       GLU   5   3.934   4.270  -0.149
   44   2HB   GLU   5          2HB       GLU   5   3.771   5.992  -0.499
   45   1HG   GLU   5          1HG       GLU   5   5.160   6.072   1.323
   46   2HG   GLU   5          2HG       GLU   5   3.597   6.341   2.081
   47    H    LEU   6           H        LEU   6   0.214   3.566  -0.627
   48    HA   LEU   6           HA       LEU   6   0.042   4.925  -3.295
   49   1HB   LEU   6          1HB       LEU   6  -0.246   1.973  -2.630
   50   2HB   LEU   6          2HB       LEU   6  -0.433   2.783  -4.179
   51    HG   LEU   6           HG       LEU   6   2.011   3.536  -3.985
   52   1HD1  LEU   6          1HD1      LEU   6   2.945   3.274  -1.988
   53   2HD1  LEU   6          2HD1      LEU   6   1.813   2.018  -1.460
   54   3HD1  LEU   6          3HD1      LEU   6   3.201   1.604  -2.458
   55   1HD2  LEU   6          1HD2      LEU   6   1.666   0.500  -4.016
   56   2HD2  LEU   6          2HD2      LEU   6   0.844   1.456  -5.231
   57   3HD2  LEU   6          3HD2      LEU   6   2.580   1.525  -5.152
   58    H    LEU   7           H        LEU   7  -1.725   3.728  -0.515
   59    HA   LEU   7           HA       LEU   7  -4.227   4.375  -1.853
   60   1HB   LEU   7          1HB       LEU   7  -4.148   1.970  -1.732
   61   2HB   LEU   7          2HB       LEU   7  -3.565   2.016  -0.065
   62    HG   LEU   7           HG       LEU   7  -5.724   2.922   0.712
   63   1HD1  LEU   7          1HD1      LEU   7  -7.639   3.138  -0.692
   64   2HD1  LEU   7          2HD1      LEU   7  -6.384   4.080  -1.464
   65   3HD1  LEU   7          3HD1      LEU   7  -6.784   2.476  -2.108
   66   1HD2  LEU   7          1HD2      LEU   7  -5.989   0.387  -0.947
   67   2HD2  LEU   7          2HD2      LEU   7  -5.324   0.503   0.697
   68   3HD2  LEU   7          3HD2      LEU   7  -7.025   0.885   0.406
   69    H    LYS   8           H        LYS   8  -2.560   3.916   1.292
   70    HA   LYS   8           HA       LYS   8  -4.659   5.140   2.679
   71   1HB   LYS   8          1HB       LYS   8  -2.973   3.511   3.591
   72   2HB   LYS   8          2HB       LYS   8  -1.860   4.881   3.816
   73   1HG   LYS   8          1HG       LYS   8  -4.675   4.935   4.922
   74   2HG   LYS   8          2HG       LYS   8  -3.406   4.053   5.771
   75   1HD   LYS   8          1HD       LYS   8  -2.194   5.950   6.330
   76   2HD   LYS   8          2HD       LYS   8  -2.760   6.889   4.958
   77   1HE   LYS   8          1HE       LYS   8  -4.996   7.113   5.901
   78   2HE   LYS   8          2HE       LYS   8  -4.542   6.134   7.311
   79   1HZ   LYS   8          1HZ       LYS   8  -2.938   7.817   7.868
   80   2HZ   LYS   8          2HZ       LYS   8  -3.326   8.696   6.527
   81   3HZ   LYS   8          3HZ       LYS   8  -4.436   8.491   7.725
   82    H    LEU   9           H        LEU   9  -1.627   6.320   1.340
   83    HA   LEU   9           HA       LEU   9  -1.928   9.075   2.119
   84   1HB   LEU   9          1HB       LEU   9  -0.513   7.790  -0.239
   85   2HB   LEU   9          2HB       LEU   9  -0.644   9.539  -0.049
   86    HG   LEU   9           HG       LEU   9   0.724   7.682   1.928
   87   1HD1  LEU   9          1HD1      LEU   9   1.908   8.108  -0.304
   88   2HD1  LEU   9          2HD1      LEU   9   1.862   9.833   0.063
   89   3HD1  LEU   9          3HD1      LEU   9   2.791   8.731   1.099
   90   1HD2  LEU   9          1HD2      LEU   9   0.542  10.714   1.923
   91   2HD2  LEU   9          2HD2      LEU   9  -0.135   9.627   3.165
   92   3HD2  LEU   9          3HD2      LEU   9   1.607   9.750   2.956
   93    H    GLU  10           H        GLU  10  -2.980   7.245  -0.847
   94    HA   GLU  10           HA       GLU  10  -4.124   9.424  -2.170
   95   1HB   GLU  10          1HB       GLU  10  -5.072   6.546  -2.060
   96   2HB   GLU  10          2HB       GLU  10  -5.619   7.755  -3.191
   97   1HG   GLU  10          1HG       GLU  10  -2.686   6.952  -3.053
   98   2HG   GLU  10          2HG       GLU  10  -3.913   6.134  -4.036
   99    H    LEU  11           H        LEU  11  -5.585   7.427   0.395
  100    HA   LEU  11           HA       LEU  11  -8.218   8.565   0.304
  101   1HB   LEU  11          1HB       LEU  11  -6.488   7.253   2.422
  102   2HB   LEU  11          2HB       LEU  11  -7.905   8.122   2.990
  103    HG   LEU  11           HG       LEU  11  -8.148   6.036   0.801
  104   1HD1  LEU  11          1HD1      LEU  11  -7.064   4.920   2.691
  105   2HD1  LEU  11          2HD1      LEU  11  -8.241   5.617   3.825
  106   3HD1  LEU  11          3HD1      LEU  11  -8.761   4.428   2.609
  107   1HD2  LEU  11          1HD2      LEU  11 -10.084   7.125   2.915
  108   2HD2  LEU  11          2HD2      LEU  11 -10.082   7.593   1.203
  109   3HD2  LEU  11          3HD2      LEU  11 -10.475   5.930   1.664
  110    H    GLN  12           H        GLN  12  -5.385   9.742   2.237
  111    HA   GLN  12           HA       GLN  12  -6.927  11.952   3.287
  112   1HB   GLN  12          1HB       GLN  12  -4.779  12.993   3.895
  113   2HB   GLN  12          2HB       GLN  12  -4.914  11.338   4.507
  114   1HG   GLN  12          1HG       GLN  12  -3.364  10.506   3.001
  115   2HG   GLN  12          2HG       GLN  12  -3.604  11.856   1.846
  116   1HE2  GLN  12          2HE2      GLN  12  -1.449  12.125   1.511
  117   2HE2  GLN  12          1HE2      GLN  12  -0.450  12.916   2.716
  118    H    LEU  13           H        LEU  13  -5.509  11.399   0.142
  119    HA   LEU  13           HA       LEU  13  -5.155  14.233  -0.463
  120   1HB   LEU  13          1HB       LEU  13  -5.149  11.860  -2.359
  121   2HB   LEU  13          2HB       LEU  13  -4.615  13.507  -2.673
  122    HG   LEU  13           HG       LEU  13  -3.448  11.592  -0.645
  123   1HD1  LEU  13          1HD1      LEU  13  -1.738  11.102  -1.926
  124   2HD1  LEU  13          2HD1      LEU  13  -2.982  11.296  -3.190
  125   3HD1  LEU  13          3HD1      LEU  13  -1.807  12.597  -2.866
  126   1HD2  LEU  13          1HD2      LEU  13  -2.559  14.413  -1.371
  127   2HD2  LEU  13          2HD2      LEU  13  -3.092  13.857   0.238
  128   3HD2  LEU  13          3HD2      LEU  13  -1.589  13.242  -0.451
  129    H    ILE  14           H        ILE  14  -7.423  11.617  -1.446
  130    HA   ILE  14           HA       ILE  14  -9.268  13.326  -2.831
  131    HB   ILE  14           HB       ILE  14  -9.669  10.759  -1.149
  132   1HG1  ILE  14          1HG1      ILE  14  -8.176  10.292  -2.907
  133   2HG1  ILE  14          2HG1      ILE  14  -9.739   9.682  -3.420
  134   1HG2  ILE  14          1HG2      ILE  14 -11.751  10.422  -2.485
  135   2HG2  ILE  14          2HG2      ILE  14 -11.871  11.846  -1.449
  136   3HG2  ILE  14          3HG2      ILE  14 -11.583  12.037  -3.185
  137   1HD1  ILE  14          1HD1      ILE  14  -9.980  11.940  -4.709
  138   2HD1  ILE  14          2HD1      ILE  14  -8.241  12.147  -4.382
  139   3HD1  ILE  14          3HD1      ILE  14  -8.813  10.775  -5.325
  140    H    LYS  15           H        LYS  15  -9.123  12.392   0.507
  141    HA   LYS  15           HA       LYS  15 -11.167  14.023   1.557
  142   1HB   LYS  15          1HB       LYS  15  -9.343  12.322   2.668
  143   2HB   LYS  15          2HB       LYS  15  -8.620  13.843   3.130
  144   1HG   LYS  15          1HG       LYS  15  -9.964  13.268   4.940
  145   2HG   LYS  15          2HG       LYS  15 -11.014  14.407   4.081
  146   1HD   LYS  15          1HD       LYS  15 -12.221  12.483   3.032
  147   2HD   LYS  15          2HD       LYS  15 -11.066  11.351   3.755
  148   1HE   LYS  15          1HE       LYS  15 -11.796  12.065   6.035
  149   2HE   LYS  15          2HE       LYS  15 -13.023  13.112   5.294
  150   1HZ   LYS  15          1HZ       LYS  15 -13.979  11.150   4.300
  151   2HZ   LYS  15          2HZ       LYS  15 -12.826  10.193   4.985
  152   3HZ   LYS  15          3HZ       LYS  15 -13.905  10.989   5.939
  153    H    GLN  16           H        GLN  16  -7.700  14.946   1.183
  154    HA   GLN  16           HA       GLN  16  -8.052  17.638   2.136
  155   1HB   GLN  16          1HB       GLN  16  -5.900  16.210   0.538
  156   2HB   GLN  16          2HB       GLN  16  -5.813  17.945   0.799
  157   1HG   GLN  16          1HG       GLN  16  -6.104  15.983   3.110
  158   2HG   GLN  16          2HG       GLN  16  -4.540  16.520   2.484
  159   1HE2  GLN  16          2HE2      GLN  16  -4.452  19.103   2.230
  160   2HE2  GLN  16          1HE2      GLN  16  -5.072  19.948   3.639
  161    H    TYR  17           H        TYR  17  -8.370  16.129  -1.017
  162    HA   TYR  17           HA       TYR  17  -8.302  18.584  -2.557
  163   1HB   TYR  17          1HB       TYR  17  -8.854  15.660  -3.031
  164   2HB   TYR  17          2HB       TYR  17  -9.759  16.735  -4.005
  165    HD1  TYR  17           HD1      TYR  17  -6.623  15.049  -3.823
  166    HD2  TYR  17           HD2      TYR  17  -8.820  18.298  -5.616
  167    HE1  TYR  17           HE1      TYR  17  -5.129  15.009  -5.764
  168    HE2  TYR  17           HE2      TYR  17  -7.262  18.306  -7.510
  169    HH   TYR  17           HH       TYR  17  -5.300  17.341  -8.427
  170    H    ARG  18           H        ARG  18 -10.736  16.782  -0.754
  171    HA   ARG  18           HA       ARG  18 -12.990  18.340  -1.815
  172   1HB   ARG  18          1HB       ARG  18 -12.776  16.460   0.562
  173   2HB   ARG  18          2HB       ARG  18 -14.230  17.361   0.104
  174   1HG   ARG  18          1HG       ARG  18 -14.305  16.233  -2.075
  175   2HG   ARG  18          2HG       ARG  18 -12.817  15.357  -1.698
  176   1HD   ARG  18          1HD       ARG  18 -14.732  13.918  -1.338
  177   2HD   ARG  18          2HD       ARG  18 -13.938  14.213   0.198
  178    HE   ARG  18           HE       ARG  18 -16.583  15.163  -0.756
  179   1HH1  ARG  18          1HH2      ARG  18 -14.176  15.397   1.820
  180   2HH1  ARG  18          2HH2      ARG  18 -15.292  16.011   3.005
  181   1HH2  ARG  18          1HH1      ARG  18 -18.040  15.990   0.756
  182   2HH2  ARG  18          2HH1      ARG  18 -17.537  16.374   2.378
  183    H    GLU  19           H        GLU  19 -10.990  18.229   1.072
  184    HA   GLU  19           HA       GLU  19 -12.163  20.380   2.481
  185   1HB   GLU  19          1HB       GLU  19 -10.307  18.795   3.287
  186   2HB   GLU  19          2HB       GLU  19  -9.181  19.868   2.432
  187   1HG   GLU  19          1HG       GLU  19 -10.054  21.792   3.782
  188   2HG   GLU  19          2HG       GLU  19 -11.104  20.665   4.656
  189    H    ALA  20           H        ALA  20  -9.661  20.394  -0.117
  190    HA   ALA  20           HA       ALA  20  -9.436  23.327   0.051
  191   1HB   ALA  20          1HB       ALA  20  -7.526  21.964  -0.548
  192   2HB   ALA  20          2HB       ALA  20  -8.345  21.404  -2.026
  193   3HB   ALA  20          3HB       ALA  20  -7.925  23.124  -1.828
  194    H    LEU  21           H        LEU  21 -11.263  21.018  -1.989
  195    HA   LEU  21           HA       LEU  21 -12.054  22.518  -4.087
  196   1HB   LEU  21          1HB       LEU  21 -12.843  20.222  -3.655
  197   2HB   LEU  21          2HB       LEU  21 -13.845  20.812  -2.323
  198    HG   LEU  21           HG       LEU  21 -15.213  22.150  -3.928
  199   1HD1  LEU  21          1HD1      LEU  21 -13.609  22.460  -5.745
  200   2HD1  LEU  21          2HD1      LEU  21 -13.457  20.710  -5.951
  201   3HD1  LEU  21          3HD1      LEU  21 -14.981  21.539  -6.359
  202   1HD2  LEU  21          1HD2      LEU  21 -14.993  19.147  -4.312
  203   2HD2  LEU  21          2HD2      LEU  21 -15.941  20.010  -3.094
  204   3HD2  LEU  21          3HD2      LEU  21 -16.386  20.156  -4.798
  205    H    GLU  22           H        GLU  22 -13.474  22.806  -0.847
  206    HA   GLU  22           HA       GLU  22 -15.567  24.683  -1.610
  207   1HB   GLU  22          1HB       GLU  22 -15.836  24.936   0.870
  208   2HB   GLU  22          2HB       GLU  22 -16.139  23.328   0.195
  209   1HG   GLU  22          1HG       GLU  22 -14.029  22.487   0.976
  210   2HG   GLU  22          2HG       GLU  22 -13.494  24.113   1.453
  211    H    TYR  23           H        TYR  23 -12.271  24.951  -0.454
  212    HA   TYR  23           HA       TYR  23 -12.450  27.817   0.092
  213   1HB   TYR  23          1HB       TYR  23 -10.275  25.683   0.028
  214   2HB   TYR  23          2HB       TYR  23  -9.926  27.363   0.260
  215    HD1  TYR  23           HD1      TYR  23 -13.076  26.638   1.917
  216    HD2  TYR  23           HD2      TYR  23  -8.803  26.110   2.292
  217    HE1  TYR  23           HE1      TYR  23 -13.317  26.416   4.329
  218    HE2  TYR  23           HE2      TYR  23  -9.054  26.001   4.756
  219    HH   TYR  23           HH       TYR  23 -12.251  26.128   6.337
  220    H    VAL  24           H        VAL  24 -11.471  25.671  -2.551
  221    HA   VAL  24           HA       VAL  24 -10.270  27.925  -4.038
  222    HB   VAL  24           HB       VAL  24 -10.535  24.976  -4.719
  223   1HG1  VAL  24          1HG1      VAL  24 -10.343  26.198  -6.811
  224   2HG1  VAL  24          2HG1      VAL  24  -9.112  27.283  -6.130
  225   3HG1  VAL  24          3HG1      VAL  24  -8.730  25.581  -6.425
  226   1HG2  VAL  24          1HG2      VAL  24  -8.124  26.641  -3.857
  227   2HG2  VAL  24          2HG2      VAL  24  -8.986  25.530  -2.784
  228   3HG2  VAL  24          3HG2      VAL  24  -8.137  24.901  -4.201
  229    H    LYS  25           H        LYS  25 -13.274  26.110  -4.041
  230    HA   LYS  25           HA       LYS  25 -15.214  26.336  -5.140
  231   1HB   LYS  25          1HB       LYS  25 -14.246  29.191  -5.577
  232   2HB   LYS  25          2HB       LYS  25 -15.911  28.623  -5.747
  233   1HG   LYS  25          1HG       LYS  25 -16.022  28.012  -3.396
  234   2HG   LYS  25          2HG       LYS  25 -14.328  28.454  -3.140
  235   1HD   LYS  25          1HD       LYS  25 -14.676  30.738  -3.478
  236   2HD   LYS  25          2HD       LYS  25 -16.247  30.523  -4.262
  237   1HE   LYS  25          1HE       LYS  25 -15.721  29.818  -1.335
  238   2HE   LYS  25          2HE       LYS  25 -16.334  31.393  -1.872
  239   1HZ   LYS  25          1HZ       LYS  25 -18.199  30.276  -2.859
  240   2HZ   LYS  25          2HZ       LYS  25 -17.654  28.813  -2.334
  241   3HZ   LYS  25          3HZ       LYS  25 -18.113  29.958  -1.243
  242    H    LEU  26           H        LEU  26 -13.065  25.232  -6.727
  243    HA   LEU  26           HA       LEU  26 -13.977  26.027  -9.467
  244   1HB   LEU  26          1HB       LEU  26 -11.562  26.482  -9.026
  245   2HB   LEU  26          2HB       LEU  26 -11.346  24.760  -8.705
  246    HG   LEU  26           HG       LEU  26 -12.354  24.413 -11.106
  247   1HD1  LEU  26          1HD1      LEU  26 -13.038  26.769 -11.533
  248   2HD1  LEU  26          2HD1      LEU  26 -11.331  27.262 -11.403
  249   3HD1  LEU  26          3HD1      LEU  26 -11.850  26.192 -12.710
  250   1HD2  LEU  26          1HD2      LEU  26  -9.555  25.589 -10.755
  251   2HD2  LEU  26          2HD2      LEU  26  -9.996  23.877 -10.624
  252   3HD2  LEU  26          3HD2      LEU  26 -10.143  24.705 -12.172
  253    HA   PRO  27           HA       PRO  27 -15.777  21.890  -8.829
  254   1HB   PRO  27          1HB       PRO  27 -16.885  21.479 -11.324
  255   2HB   PRO  27          2HB       PRO  27 -17.629  22.470 -10.039
  256   1HG   PRO  27          1HG       PRO  27 -15.945  23.419 -12.367
  257   2HG   PRO  27          2HG       PRO  27 -17.499  24.088 -11.793
  258   1HD   PRO  27          1HD       PRO  27 -15.145  25.215 -11.112
  259   2HD   PRO  27          2HD       PRO  27 -16.449  25.101  -9.895
  260    H    VAL  28           H        VAL  28 -13.623  22.803 -11.530
  261    HA   VAL  28           HA       VAL  28 -12.898  20.283 -12.432
  262    HB   VAL  28           HB       VAL  28 -11.185  22.697 -12.141
  263   1HG1  VAL  28          1HG1      VAL  28 -10.646  20.061 -13.534
  264   2HG1  VAL  28          2HG1      VAL  28  -9.797  21.549 -13.963
  265   3HG1  VAL  28          3HG1      VAL  28  -9.641  20.907 -12.326
  266   1HG2  VAL  28          1HG2      VAL  28 -12.495  21.520 -14.616
  267   2HG2  VAL  28          2HG2      VAL  28 -13.084  22.967 -13.746
  268   3HG2  VAL  28          3HG2      VAL  28 -11.502  22.984 -14.545
  269    H    LEU  29           H        LEU  29 -11.910  21.757  -9.252
  270    HA   LEU  29           HA       LEU  29  -9.824  19.823  -8.778
  271   1HB   LEU  29          1HB       LEU  29 -11.443  21.807  -7.137
  272   2HB   LEU  29          2HB       LEU  29 -10.868  20.380  -6.328
  273    HG   LEU  29           HG       LEU  29  -8.553  21.010  -7.499
  274   1HD1  LEU  29          1HD1      LEU  29  -9.471  22.955  -8.677
  275   2HD1  LEU  29          2HD1      LEU  29  -9.954  23.676  -7.125
  276   3HD1  LEU  29          3HD1      LEU  29  -8.230  23.448  -7.510
  277   1HD2  LEU  29          1HD2      LEU  29  -9.639  22.323  -4.967
  278   2HD2  LEU  29          2HD2      LEU  29  -8.905  20.711  -5.074
  279   3HD2  LEU  29          3HD2      LEU  29  -7.923  22.147  -5.391
  280    H    ALA  30           H        ALA  30 -13.341  19.998  -8.100
  281    HA   ALA  30           HA       ALA  30 -13.223  17.749  -6.491
  282   1HB   ALA  30          1HB       ALA  30 -15.198  19.279  -6.541
  283   2HB   ALA  30          2HB       ALA  30 -15.643  18.721  -8.152
  284   3HB   ALA  30          3HB       ALA  30 -15.721  17.605  -6.775
  285    H    LYS  31           H        LYS  31 -13.559  18.350 -10.024
  286    HA   LYS  31           HA       LYS  31 -14.421  15.628 -10.756
  287   1HB   LYS  31          1HB       LYS  31 -13.832  18.148 -12.287
  288   2HB   LYS  31          2HB       LYS  31 -13.624  16.599 -13.104
  289   1HG   LYS  31          1HG       LYS  31 -15.842  17.252 -13.571
  290   2HG   LYS  31          2HG       LYS  31 -15.904  15.904 -12.451
  291   1HD   LYS  31          1HD       LYS  31 -15.945  18.106 -10.712
  292   2HD   LYS  31          2HD       LYS  31 -16.764  18.745 -12.131
  293   1HE   LYS  31          1HE       LYS  31 -18.431  17.803 -10.662
  294   2HE   LYS  31          2HE       LYS  31 -18.300  16.702 -12.045
  295   1HZ   LYS  31          1HZ       LYS  31 -16.931  15.276 -10.694
  296   2HZ   LYS  31          2HZ       LYS  31 -16.963  16.342  -9.442
  297   3HZ   LYS  31          3HZ       LYS  31 -18.340  15.574  -9.917
  298    H    ILE  32           H        ILE  32 -11.404  17.404 -10.576
  299    HA   ILE  32           HA       ILE  32  -9.732  15.456 -11.904
  300    HB   ILE  32           HB       ILE  32  -9.329  17.770  -9.991
  301   1HG1  ILE  32          1HG1      ILE  32  -8.233  17.083 -12.767
  302   2HG1  ILE  32          2HG1      ILE  32  -9.632  18.108 -12.457
  303   1HG2  ILE  32          1HG2      ILE  32  -7.657  15.966  -9.286
  304   2HG2  ILE  32          2HG2      ILE  32  -6.952  16.167 -10.909
  305   3HG2  ILE  32          3HG2      ILE  32  -7.016  17.520  -9.793
  306   1HD1  ILE  32          1HD1      ILE  32  -8.091  19.645 -11.125
  307   2HD1  ILE  32          2HD1      ILE  32  -6.727  18.677 -11.734
  308   3HD1  ILE  32          3HD1      ILE  32  -7.772  19.531 -12.872
  309    H    LEU  33           H        LEU  33 -10.810  16.075  -8.484
  310    HA   LEU  33           HA       LEU  33  -9.255  13.852  -7.608
  311   1HB   LEU  33          1HB       LEU  33 -10.086  14.475  -5.428
  312   2HB   LEU  33          2HB       LEU  33 -10.131  15.979  -6.366
  313    HG   LEU  33           HG       LEU  33 -12.441  15.701  -6.730
  314   1HD1  LEU  33          1HD1      LEU  33 -13.421  13.691  -6.413
  315   2HD1  LEU  33          2HD1      LEU  33 -12.067  13.113  -5.396
  316   3HD1  LEU  33          3HD1      LEU  33 -13.384  14.078  -4.695
  317   1HD2  LEU  33          1HD2      LEU  33 -11.606  15.690  -3.854
  318   2HD2  LEU  33          2HD2      LEU  33 -11.583  17.091  -4.983
  319   3HD2  LEU  33          3HD2      LEU  33 -13.122  16.374  -4.492
  320    H    GLU  34           H        GLU  34 -12.572  14.079  -8.799
  321    HA   GLU  34           HA       GLU  34 -13.472  11.580  -7.909
  322   1HB   GLU  34          1HB       GLU  34 -14.738  13.462  -9.151
  323   2HB   GLU  34          2HB       GLU  34 -14.142  12.740 -10.642
  324   1HG   GLU  34          1HG       GLU  34 -15.183  10.557  -9.972
  325   2HG   GLU  34          2HG       GLU  34 -15.855  11.350  -8.537
  326    H    ASP  35           H        ASP  35 -11.825  12.480 -10.918
  327    HA   ASP  35           HA       ASP  35 -11.787   9.899 -12.075
  328   1HB   ASP  35          1HB       ASP  35 -10.950  12.320 -12.977
  329   2HB   ASP  35          2HB       ASP  35  -9.387  11.598 -12.540
  330    H    GLU  36           H        GLU  36  -9.322  11.498 -10.017
  331    HA   GLU  36           HA       GLU  36  -7.476   9.349  -9.855
  332   1HB   GLU  36          1HB       GLU  36  -8.213  11.317  -7.647
  333   2HB   GLU  36          2HB       GLU  36  -6.743  10.342  -7.730
  334   1HG   GLU  36          1HG       GLU  36  -7.450  12.429  -9.828
  335   2HG   GLU  36          2HG       GLU  36  -6.509  12.779  -8.377
  336    H    GLU  37           H        GLU  37 -10.441  10.032  -7.889
  337    HA   GLU  37           HA       GLU  37 -10.215   8.100  -5.994
  338   1HB   GLU  37          1HB       GLU  37 -12.028   9.981  -6.694
  339   2HB   GLU  37          2HB       GLU  37 -12.936   8.564  -7.198
  340   1HG   GLU  37          1HG       GLU  37 -11.619   8.923  -4.467
  341   2HG   GLU  37          2HG       GLU  37 -13.188   9.587  -4.897
  342    H    LYS  38           H        LYS  38 -11.211   7.624  -9.389
  343    HA   LYS  38           HA       LYS  38 -12.015   4.880  -9.009
  344   1HB   LYS  38          1HB       LYS  38 -12.623   6.456 -10.953
  345   2HB   LYS  38          2HB       LYS  38 -10.956   6.290 -11.491
  346   1HG   LYS  38          1HG       LYS  38 -11.950   4.767 -12.855
  347   2HG   LYS  38          2HG       LYS  38 -11.474   3.693 -11.544
  348   1HD   LYS  38          1HD       LYS  38 -14.247   4.896 -12.041
  349   2HD   LYS  38          2HD       LYS  38 -13.744   3.224 -12.340
  350   1HE   LYS  38          1HE       LYS  38 -13.249   3.031  -9.839
  351   2HE   LYS  38          2HE       LYS  38 -14.075   4.599  -9.642
  352   1HZ   LYS  38          1HZ       LYS  38 -16.022   3.633 -10.583
  353   2HZ   LYS  38          2HZ       LYS  38 -15.267   2.173 -10.756
  354   3HZ   LYS  38          3HZ       LYS  38 -15.519   2.795  -9.254
  355    H    HIS  39           H        HIS  39  -8.889   6.354  -9.931
  356    HA   HIS  39           HA       HIS  39  -7.557   3.794 -10.318
  357   1HB   HIS  39          1HB       HIS  39  -6.520   6.579  -9.606
  358   2HB   HIS  39          2HB       HIS  39  -5.509   5.157  -9.825
  359    HD1  HIS  39           HD1      HIS  39  -4.668   7.139 -11.802
  360    HD2  HIS  39           HD2      HIS  39  -8.020   4.642 -12.423
  361    HE1  HIS  39           HE1      HIS  39  -4.958   6.878 -14.333
  362    HE2  HIS  39           HE2      HIS  39  -7.036   5.442 -14.698
  363    H    ILE  40           H        ILE  40  -8.038   5.967  -7.564
  364    HA   ILE  40           HA       ILE  40  -6.434   4.489  -5.717
  365    HB   ILE  40           HB       ILE  40  -8.741   6.416  -5.291
  366   1HG1  ILE  40          1HG1      ILE  40  -5.749   6.896  -5.126
  367   2HG1  ILE  40          2HG1      ILE  40  -6.551   7.134  -6.633
  368   1HG2  ILE  40          1HG2      ILE  40  -8.286   5.122  -3.222
  369   2HG2  ILE  40          2HG2      ILE  40  -6.553   5.458  -3.395
  370   3HG2  ILE  40          3HG2      ILE  40  -7.694   6.770  -3.033
  371   1HD1  ILE  40          1HD1      ILE  40  -8.049   8.779  -5.763
  372   2HD1  ILE  40          2HD1      ILE  40  -7.347   8.658  -4.149
  373   3HD1  ILE  40          3HD1      ILE  40  -6.367   9.261  -5.501
  374    H    GLU  41           H        GLU  41  -9.873   4.317  -6.642
  375    HA   GLU  41           HA       GLU  41 -10.767   2.405  -4.793
  376   1HB   GLU  41          1HB       GLU  41 -12.157   3.742  -6.507
  377   2HB   GLU  41          2HB       GLU  41 -11.611   2.564  -7.716
  378   1HG   GLU  41          1HG       GLU  41 -12.558   0.765  -6.141
  379   2HG   GLU  41          2HG       GLU  41 -13.326   2.107  -5.271
  380    H    TRP  42           H        TRP  42  -9.004   2.067  -7.931
  381    HA   TRP  42           HA       TRP  42  -9.130  -0.657  -8.218
  382   1HB   TRP  42          1HB       TRP  42  -8.024   1.259  -9.626
  383   2HB   TRP  42          2HB       TRP  42  -6.562   0.812  -8.750
  384    HD1  TRP  42           HD1      TRP  42  -8.971  -0.529 -11.337
  385    HE1  TRP  42           HE1      TRP  42  -8.010  -2.679 -12.381
  386    HE3  TRP  42           HE3      TRP  42  -5.039  -1.114  -8.259
  387    HZ2  TRP  42           HZ2      TRP  42  -5.785  -4.509 -11.836
  388    HZ3  TRP  42           HZ3      TRP  42  -3.442  -3.054  -8.521
  389    HH2  TRP  42           HH2      TRP  42  -3.889  -4.793 -10.242
  390    H    LEU  43           H        LEU  43  -7.017   1.237  -6.054
  391    HA   LEU  43           HA       LEU  43  -5.530  -1.125  -5.157
  392   1HB   LEU  43          1HB       LEU  43  -5.671   1.674  -3.996
  393   2HB   LEU  43          2HB       LEU  43  -4.699   0.347  -3.364
  394    HG   LEU  43           HG       LEU  43  -4.027   0.378  -6.096
  395   1HD1  LEU  43          1HD1      LEU  43  -5.091   2.587  -6.361
  396   2HD1  LEU  43          2HD1      LEU  43  -4.124   3.236  -5.025
  397   3HD1  LEU  43          3HD1      LEU  43  -3.334   2.709  -6.521
  398   1HD2  LEU  43          1HD2      LEU  43  -2.583   1.640  -3.729
  399   2HD2  LEU  43          2HD2      LEU  43  -2.474  -0.057  -4.247
  400   3HD2  LEU  43          3HD2      LEU  43  -1.848   1.223  -5.291
  401    H    GLU  44           H        GLU  44  -8.557   0.381  -4.137
  402    HA   GLU  44           HA       GLU  44  -8.631  -1.004  -1.533
  403   1HB   GLU  44          1HB       GLU  44 -10.544   0.701  -3.155
  404   2HB   GLU  44          2HB       GLU  44 -11.196  -0.318  -1.877
  405   1HG   GLU  44          1HG       GLU  44  -8.823   1.399  -1.244
  406   2HG   GLU  44          2HG       GLU  44 -10.414   2.166  -1.355
  407    H    THR  45           H        THR  45  -9.350  -1.620  -4.655
  408    HA   THR  45           HA       THR  45 -11.190  -3.930  -4.097
  409    HB   THR  45           HB       THR  45 -11.487  -1.892  -5.815
  410    HG1  THR  45           HG1      THR  45 -12.546  -4.512  -6.124
  411   1HG2  THR  45          1HG2      THR  45  -9.761  -2.634  -7.410
  412   2HG2  THR  45          2HG2      THR  45 -10.671  -4.141  -7.674
  413   3HG2  THR  45          3HG2      THR  45 -11.383  -2.570  -8.101
  414    H    ILE  46           H        ILE  46  -8.269  -3.204  -5.801
  415    HA   ILE  46           HA       ILE  46  -6.876  -4.502  -7.124
  416    HB   ILE  46           HB       ILE  46  -5.835  -4.011  -5.152
  417   1HG1  ILE  46          1HG1      ILE  46  -4.284  -5.765  -4.660
  418   2HG1  ILE  46          2HG1      ILE  46  -5.291  -6.994  -5.416
  419   1HG2  ILE  46          1HG2      ILE  46  -7.479  -4.334  -3.528
  420   2HG2  ILE  46          2HG2      ILE  46  -7.499  -6.092  -3.768
  421   3HG2  ILE  46          3HG2      ILE  46  -6.089  -5.270  -3.030
  422   1HD1  ILE  46          1HD1      ILE  46  -5.075  -5.842  -7.603
  423   2HD1  ILE  46          2HD1      ILE  46  -4.208  -4.508  -6.809
  424   3HD1  ILE  46          3HD1      ILE  46  -3.466  -6.120  -6.910
  425    H    LEU  47           H        LEU  47  -8.638  -5.436  -8.352
  426    HA   LEU  47           HA       LEU  47  -9.559  -7.062  -9.545
  427   1HB   LEU  47          1HB       LEU  47  -6.958  -7.719  -9.544
  428   2HB   LEU  47          2HB       LEU  47  -7.569  -9.133  -8.688
  429    HG   LEU  47           HG       LEU  47  -9.369  -9.093 -10.729
  430   1HD1  LEU  47          1HD1      LEU  47  -8.379  -7.003 -11.702
  431   2HD1  LEU  47          2HD1      LEU  47  -6.857  -7.883 -11.962
  432   3HD1  LEU  47          3HD1      LEU  47  -8.331  -8.382 -12.817
  433   1HD2  LEU  47          1HD2      LEU  47  -6.554 -10.218 -10.957
  434   2HD2  LEU  47          2HD2      LEU  47  -7.960 -11.006 -10.205
  435   3HD2  LEU  47          3HD2      LEU  47  -7.955 -10.690 -11.946
  436    H    GLY  48           H        GLY  48 -10.147  -6.968  -6.496
  437   1HA   GLY  48          1HA       GLY  48 -12.050  -9.231  -6.581
  438   2HA   GLY  48          2HA       GLY  48 -11.013  -8.981  -5.154
  439   1HN   NH2  49          1HN       NH2  49 -12.841  -8.392  -3.814
  440   2HN   NH2  49          2HN       NH2  49 -13.648  -6.813  -4.011
  441   1H    ACE   0          H1        ACE   0   1.450  28.355  -1.030
  442   2H    ACE   0          H2        ACE   0   0.238  29.438  -0.311
  443   3H    ACE   0          H3        ACE   0   1.559  28.783   0.689
  444    H    ASP   1           H        ASP   1  -0.816  28.398   1.732
  445    HA   ASP   1           HA       ASP   1  -0.847  25.894   2.567
  446   1HB   ASP   1          1HB       ASP   1  -2.186  27.664   3.560
  447   2HB   ASP   1          2HB       ASP   1  -3.345  27.582   2.220
  448    H    TYR   2           H        TYR   2  -3.060  26.862  -0.099
  449    HA   TYR   2           HA       TYR   2  -4.194  24.277  -0.591
  450   1HB   TYR   2          1HB       TYR   2  -3.805  26.708  -2.360
  451   2HB   TYR   2          2HB       TYR   2  -4.902  25.369  -2.628
  452    HD1  TYR   2           HD1      TYR   2  -6.113  27.890  -2.853
  453    HD2  TYR   2           HD2      TYR   2  -5.344  25.703   0.797
  454    HE1  TYR   2           HE1      TYR   2  -7.762  29.286  -1.632
  455    HE2  TYR   2           HE2      TYR   2  -6.765  27.254   2.029
  456    HH   TYR   2           HH       TYR   2  -8.324  28.954   1.877
  457    H    LEU   3           H        LEU   3  -1.234  25.849  -1.853
  458    HA   LEU   3           HA       LEU   3  -0.801  23.498  -3.577
  459   1HB   LEU   3          1HB       LEU   3   0.315  26.289  -3.896
  460   2HB   LEU   3          2HB       LEU   3   0.477  24.942  -5.032
  461    HG   LEU   3           HG       LEU   3  -2.122  26.383  -4.322
  462   1HD1  LEU   3          1HD1      LEU   3  -0.558  27.692  -5.720
  463   2HD1  LEU   3          2HD1      LEU   3  -0.469  26.346  -6.878
  464   3HD1  LEU   3          3HD1      LEU   3  -2.002  27.207  -6.627
  465   1HD2  LEU   3          1HD2      LEU   3  -1.593  24.107  -6.289
  466   2HD2  LEU   3          2HD2      LEU   3  -2.631  24.030  -4.848
  467   3HD2  LEU   3          3HD2      LEU   3  -3.088  25.058  -6.208
  468    H    ARG   4           H        ARG   4  -0.033  23.768  -0.649
  469    HA   ARG   4           HA       ARG   4   2.876  23.122  -1.101
  470   1HB   ARG   4          1HB       ARG   4   3.322  23.610   1.169
  471   2HB   ARG   4          2HB       ARG   4   2.505  25.012   0.454
  472   1HG   ARG   4          1HG       ARG   4   0.412  24.351   1.483
  473   2HG   ARG   4          2HG       ARG   4   1.105  22.861   2.130
  474   1HD   ARG   4          1HD       ARG   4   2.655  24.170   3.514
  475   2HD   ARG   4          2HD       ARG   4   1.880  25.679   2.952
  476    HE   ARG   4           HE       ARG   4  -0.206  24.069   3.833
  477   1HH1  ARG   4          1HH2      ARG   4   2.708  25.366   5.325
  478   2HH1  ARG   4          2HH2      ARG   4   2.093  25.261   6.953
  479   1HH2  ARG   4          1HH1      ARG   4  -1.043  23.948   5.888
  480   2HH2  ARG   4          2HH1      ARG   4  -0.116  24.407   7.288
  481    H    GLU   5           H        GLU   5  -0.108  21.647  -0.735
  482    HA   GLU   5           HA       GLU   5   1.141  19.182   0.415
  483   1HB   GLU   5          1HB       GLU   5  -1.151  20.815   1.483
  484   2HB   GLU   5          2HB       GLU   5  -1.249  19.056   1.617
  485   1HG   GLU   5          1HG       GLU   5   0.565  18.872   3.043
  486   2HG   GLU   5          2HG       GLU   5   1.344  20.339   2.469
  487    H    LEU   6           H        LEU   6  -1.752  20.563  -1.216
  488    HA   LEU   6           HA       LEU   6  -2.880  18.122  -2.019
  489   1HB   LEU   6          1HB       LEU   6  -2.915  20.878  -3.249
  490   2HB   LEU   6          2HB       LEU   6  -3.887  19.552  -3.873
  491    HG   LEU   6           HG       LEU   6  -5.285  19.418  -1.981
  492   1HD1  LEU   6          1HD1      LEU   6  -3.763  19.716  -0.112
  493   2HD1  LEU   6          2HD1      LEU   6  -3.541  21.435  -0.517
  494   3HD1  LEU   6          3HD1      LEU   6  -5.121  20.831  -0.001
  495   1HD2  LEU   6          1HD2      LEU   6  -4.784  22.020  -3.343
  496   2HD2  LEU   6          2HD2      LEU   6  -6.257  21.061  -3.187
  497   3HD2  LEU   6          3HD2      LEU   6  -5.723  22.133  -1.868
  498    H    LEU   7           H        LEU   7   0.023  19.577  -3.216
  499    HA   LEU   7           HA       LEU   7   0.016  17.684  -5.423
  500   1HB   LEU   7          1HB       LEU   7   1.063  18.982  -6.903
  501   2HB   LEU   7          2HB       LEU   7  -0.012  20.132  -6.131
  502    HG   LEU   7           HG       LEU   7   2.952  19.851  -5.419
  503   1HD1  LEU   7          1HD1      LEU   7   2.756  20.347  -7.794
  504   2HD1  LEU   7          2HD1      LEU   7   1.625  21.673  -7.456
  505   3HD1  LEU   7          3HD1      LEU   7   3.313  21.776  -6.911
  506   1HD2  LEU   7          1HD2      LEU   7   0.953  22.133  -5.043
  507   2HD2  LEU   7          2HD2      LEU   7   1.512  21.062  -3.738
  508   3HD2  LEU   7          3HD2      LEU   7   2.662  22.131  -4.561
  509    H    LYS   8           H        LYS   8   2.034  19.161  -2.881
  510    HA   LYS   8           HA       LYS   8   4.336  17.706  -3.489
  511   1HB   LYS   8          1HB       LYS   8   3.345  19.059  -0.974
  512   2HB   LYS   8          2HB       LYS   8   4.825  18.096  -0.960
  513   1HG   LYS   8          1HG       LYS   8   5.803  19.437  -2.761
  514   2HG   LYS   8          2HG       LYS   8   4.357  20.465  -2.826
  515   1HD   LYS   8          1HD       LYS   8   4.753  21.281  -0.587
  516   2HD   LYS   8          2HD       LYS   8   5.989  20.061  -0.269
  517   1HE   LYS   8          1HE       LYS   8   7.491  21.140  -1.888
  518   2HE   LYS   8          2HE       LYS   8   6.218  22.293  -2.344
  519   1HZ   LYS   8          1HZ       LYS   8   6.246  23.131  -0.122
  520   2HZ   LYS   8          2HZ       LYS   8   7.399  22.048   0.336
  521   3HZ   LYS   8          3HZ       LYS   8   7.759  23.219  -0.768
  522    H    LEU   9           H        LEU   9   1.519  16.956  -1.426
  523    HA   LEU   9           HA       LEU   9   2.641  14.529  -0.369
  524   1HB   LEU   9          1HB       LEU   9  -0.269  15.318  -0.729
  525   2HB   LEU   9          2HB       LEU   9   0.334  13.970   0.252
  526    HG   LEU   9           HG       LEU   9   1.060  16.862   0.844
  527   1HD1  LEU   9          1HD1      LEU   9  -1.383  16.562   0.993
  528   2HD1  LEU   9          2HD1      LEU   9  -1.161  15.132   2.014
  529   3HD1  LEU   9          3HD1      LEU   9  -0.675  16.727   2.610
  530   1HD2  LEU   9          1HD2      LEU   9   1.255  14.299   2.484
  531   2HD2  LEU   9          2HD2      LEU   9   2.616  15.226   1.814
  532   3HD2  LEU   9          3HD2      LEU   9   1.602  15.934   3.077
  533    H    GLU  10           H        GLU  10   1.060  15.336  -3.456
  534    HA   GLU  10           HA       GLU  10   0.647  12.525  -4.271
  535   1HB   GLU  10          1HB       GLU  10   1.013  14.993  -5.997
  536   2HB   GLU  10          2HB       GLU  10   0.194  13.473  -6.363
  537   1HG   GLU  10          1HG       GLU  10  -0.855  15.555  -4.412
  538   2HG   GLU  10          2HG       GLU  10  -1.254  15.532  -6.127
  539    H    LEU  11           H        LEU  11   3.107  15.093  -4.730
  540    HA   LEU  11           HA       LEU  11   4.649  13.774  -6.608
  541   1HB   LEU  11          1HB       LEU  11   4.819  16.126  -5.712
  542   2HB   LEU  11          2HB       LEU  11   5.779  15.519  -4.363
  543    HG   LEU  11           HG       LEU  11   6.549  15.070  -7.284
  544   1HD1  LEU  11          1HD1      LEU  11   6.278  17.485  -6.914
  545   2HD1  LEU  11          2HD1      LEU  11   7.306  17.398  -5.467
  546   3HD1  LEU  11          3HD1      LEU  11   7.991  17.070  -7.074
  547   1HD2  LEU  11          1HD2      LEU  11   8.162  15.078  -4.683
  548   2HD2  LEU  11          2HD2      LEU  11   7.829  13.665  -5.709
  549   3HD2  LEU  11          3HD2      LEU  11   8.860  14.959  -6.310
  550    H    GLN  12           H        GLN  12   5.055  13.582  -3.030
  551    HA   GLN  12           HA       GLN  12   7.121  11.597  -3.115
  552   1HB   GLN  12          1HB       GLN  12   6.506  11.105  -0.776
  553   2HB   GLN  12          2HB       GLN  12   6.694  12.841  -1.074
  554   1HG   GLN  12          1HG       GLN  12   4.275  13.127  -1.183
  555   2HG   GLN  12          2HG       GLN  12   4.014  11.381  -0.996
  556   1HE2  GLN  12          2HE2      GLN  12   2.595  12.148   0.759
  557   2HE2  GLN  12          1HE2      GLN  12   3.342  12.396   2.337
  558    H    LEU  13           H        LEU  13   3.679  11.341  -3.535
  559    HA   LEU  13           HA       LEU  13   3.385   8.540  -2.905
  560   1HB   LEU  13          1HB       LEU  13   1.372   9.416  -2.469
  561   2HB   LEU  13          2HB       LEU  13   1.709  10.834  -3.382
  562    HG   LEU  13           HG       LEU  13   0.958   9.934  -5.397
  563   1HD1  LEU  13          1HD1      LEU  13   1.368   7.396  -5.128
  564   2HD1  LEU  13          2HD1      LEU  13   0.326   7.417  -3.699
  565   3HD1  LEU  13          3HD1      LEU  13  -0.357   7.695  -5.300
  566   1HD2  LEU  13          1HD2      LEU  13  -1.080   9.336  -3.256
  567   2HD2  LEU  13          2HD2      LEU  13  -0.595  10.943  -3.833
  568   3HD2  LEU  13          3HD2      LEU  13  -1.359   9.832  -4.950
  569    H    ILE  14           H        ILE  14   3.454  10.504  -5.953
  570    HA   ILE  14           HA       ILE  14   3.435   8.275  -7.741
  571    HB   ILE  14           HB       ILE  14   4.164  11.183  -7.868
  572   1HG1  ILE  14          1HG1      ILE  14   2.560  11.160  -9.688
  573   2HG1  ILE  14          2HG1      ILE  14   2.535   9.397  -9.737
  574   1HG2  ILE  14          1HG2      ILE  14   6.077  10.313  -9.084
  575   2HG2  ILE  14          2HG2      ILE  14   5.035   9.211 -10.013
  576   3HG2  ILE  14          3HG2      ILE  14   4.911  10.962 -10.228
  577   1HD1  ILE  14          1HD1      ILE  14   1.316   9.263  -7.666
  578   2HD1  ILE  14          2HD1      ILE  14   1.660  10.945  -7.276
  579   3HD1  ILE  14          3HD1      ILE  14   0.558  10.550  -8.602
  580    H    LYS  15           H        LYS  15   6.122   9.901  -6.082
  581    HA   LYS  15           HA       LYS  15   8.179   8.279  -7.188
  582   1HB   LYS  15          1HB       LYS  15   8.007  10.408  -5.359
  583   2HB   LYS  15          2HB       LYS  15   8.504   9.066  -4.359
  584   1HG   LYS  15          1HG       LYS  15  10.484  10.154  -5.134
  585   2HG   LYS  15          2HG       LYS  15  10.380   8.666  -6.094
  586   1HD   LYS  15          1HD       LYS  15   9.369   9.984  -7.981
  587   2HD   LYS  15          2HD       LYS  15   9.398  11.439  -6.975
  588   1HE   LYS  15          1HE       LYS  15  11.877  11.325  -6.868
  589   2HE   LYS  15          2HE       LYS  15  11.856   9.853  -7.859
  590   1HZ   LYS  15          1HZ       LYS  15  10.861  11.125  -9.617
  591   2HZ   LYS  15          2HZ       LYS  15  10.868  12.490  -8.695
  592   3HZ   LYS  15          3HZ       LYS  15  12.291  11.802  -9.156
  593    H    GLN  16           H        GLN  16   6.123   7.838  -4.260
  594    HA   GLN  16           HA       GLN  16   7.351   5.321  -3.543
  595   1HB   GLN  16          1HB       GLN  16   4.738   6.665  -2.802
  596   2HB   GLN  16          2HB       GLN  16   5.176   5.064  -2.205
  597   1HG   GLN  16          1HG       GLN  16   7.063   7.439  -1.891
  598   2HG   GLN  16          2HG       GLN  16   5.801   7.090  -0.717
  599   1HE2  GLN  16          2HE2      GLN  16   9.041   6.424  -1.533
  600   2HE2  GLN  16          1HE2      GLN  16   9.222   4.955  -0.598
  601    H    TYR  17           H        TYR  17   4.709   6.155  -5.730
  602    HA   TYR  17           HA       TYR  17   3.705   3.521  -6.141
  603   1HB   TYR  17          1HB       TYR  17   3.660   6.139  -7.627
  604   2HB   TYR  17          2HB       TYR  17   3.335   4.726  -8.569
  605    HD1  TYR  17           HD1      TYR  17   1.553   7.144  -8.100
  606    HD2  TYR  17           HD2      TYR  17   1.642   3.110  -6.671
  607    HE1  TYR  17           HE1      TYR  17  -0.895   7.206  -7.825
  608    HE2  TYR  17           HE2      TYR  17  -0.829   3.126  -6.493
  609    HH   TYR  17           HH       TYR  17  -2.707   6.085  -6.755
  610    H    ARG  18           H        ARG  18   6.658   5.125  -7.193
  611    HA   ARG  18           HA       ARG  18   7.117   3.207  -9.350
  612   1HB   ARG  18          1HB       ARG  18   8.944   5.283  -8.146
  613   2HB   ARG  18          2HB       ARG  18   9.463   4.035  -9.275
  614   1HG   ARG  18          1HG       ARG  18   7.311   4.886 -10.676
  615   2HG   ARG  18          2HG       ARG  18   7.578   6.323  -9.715
  616   1HD   ARG  18          1HD       ARG  18   8.832   6.517 -11.817
  617   2HD   ARG  18          2HD       ARG  18  10.030   6.197 -10.539
  618    HE   ARG  18           HE       ARG  18   8.915   3.809 -11.825
  619   1HH1  ARG  18          1HH2      ARG  18  11.478   6.217 -12.064
  620   2HH1  ARG  18          2HH2      ARG  18  12.557   5.191 -12.969
  621   1HH2  ARG  18          1HH1      ARG  18  10.271   2.467 -13.013
  622   2HH2  ARG  18          2HH1      ARG  18  11.840   3.002 -13.543
  623    H    GLU  19           H        GLU  19   8.225   3.803  -6.092
  624    HA   GLU  19           HA       GLU  19   9.942   1.597  -5.700
  625   1HB   GLU  19          1HB       GLU  19   9.487   3.592  -4.159
  626   2HB   GLU  19          2HB       GLU  19   8.080   2.689  -3.573
  627   1HG   GLU  19          1HG       GLU  19   9.533   0.844  -2.853
  628   2HG   GLU  19          2HG       GLU  19  10.953   1.691  -3.496
  629    H    ALA  20           H        ALA  20   6.399   1.871  -5.263
  630    HA   ALA  20           HA       ALA  20   6.177  -1.092  -4.905
  631   1HB   ALA  20          1HB       ALA  20   5.155   0.115  -3.129
  632   2HB   ALA  20          2HB       ALA  20   4.430   1.265  -4.239
  633   3HB   ALA  20          3HB       ALA  20   3.821  -0.414  -4.156
  634    H    LEU  21           H        LEU  21   6.700   0.352  -7.551
  635    HA   LEU  21           HA       LEU  21   4.475  -0.958  -9.091
  636   1HB   LEU  21          1HB       LEU  21   4.760   1.159 -10.042
  637   2HB   LEU  21          2HB       LEU  21   6.495   1.166  -9.715
  638    HG   LEU  21           HG       LEU  21   6.904  -0.447 -11.530
  639   1HD1  LEU  21          1HD1      LEU  21   4.619  -1.513 -11.584
  640   2HD1  LEU  21          2HD1      LEU  21   3.975   0.011 -12.219
  641   3HD1  LEU  21          3HD1      LEU  21   5.154  -0.915 -13.164
  642   1HD2  LEU  21          1HD2      LEU  21   5.418   2.090 -12.276
  643   2HD2  LEU  21          2HD2      LEU  21   7.132   1.967 -11.835
  644   3HD2  LEU  21          3HD2      LEU  21   6.550   1.187 -13.314
  645    H    GLU  22           H        GLU  22   8.018  -0.602  -8.783
  646    HA   GLU  22           HA       GLU  22   8.625  -2.638 -10.637
  647   1HB   GLU  22          1HB       GLU  22  10.897  -2.635  -9.744
  648   2HB   GLU  22          2HB       GLU  22  10.280  -1.021 -10.131
  649   1HG   GLU  22          1HG       GLU  22   9.801  -0.633  -7.733
  650   2HG   GLU  22          2HG       GLU  22  10.456  -2.237  -7.350
  651    H    TYR  23           H        TYR  23   8.259  -2.695  -7.142
  652    HA   TYR  23           HA       TYR  23   8.819  -5.514  -6.876
  653   1HB   TYR  23          1HB       TYR  23   8.650  -3.244  -5.198
  654   2HB   TYR  23          2HB       TYR  23   7.350  -4.274  -4.670
  655    HD1  TYR  23           HD1      TYR  23  10.992  -3.857  -4.980
  656    HD2  TYR  23           HD2      TYR  23   7.883  -6.607  -3.809
  657    HE1  TYR  23           HE1      TYR  23  12.669  -5.267  -3.819
  658    HE2  TYR  23           HE2      TYR  23   9.554  -7.996  -2.632
  659    HH   TYR  23           HH       TYR  23  11.764  -8.232  -2.048
  660    H    VAL  24           H        VAL  24   6.053  -3.841  -7.970
  661    HA   VAL  24           HA       VAL  24   4.222  -6.082  -7.191
  662    HB   VAL  24           HB       VAL  24   3.656  -3.369  -8.422
  663   1HG1  VAL  24          1HG1      VAL  24   2.010  -4.910  -9.315
  664   2HG1  VAL  24          2HG1      VAL  24   1.831  -5.728  -7.750
  665   3HG1  VAL  24          3HG1      VAL  24   1.236  -4.079  -7.959
  666   1HG2  VAL  24          1HG2      VAL  24   2.849  -4.607  -5.773
  667   2HG2  VAL  24          2HG2      VAL  24   4.193  -3.453  -5.925
  668   3HG2  VAL  24          3HG2      VAL  24   2.527  -2.953  -6.281
  669    H    LYS  25           H        LYS  25   5.825  -4.673 -10.011
  670    HA   LYS  25           HA       LYS  25   5.955  -5.284 -12.187
  671   1HB   LYS  25          1HB       LYS  25   5.099  -8.073 -11.286
  672   2HB   LYS  25          2HB       LYS  25   5.697  -7.608 -12.867
  673   1HG   LYS  25          1HG       LYS  25   7.714  -6.684 -11.142
  674   2HG   LYS  25          2HG       LYS  25   7.170  -8.201 -10.409
  675   1HD   LYS  25          1HD       LYS  25   7.329  -9.244 -12.782
  676   2HD   LYS  25          2HD       LYS  25   8.086  -7.728 -13.292
  677   1HE   LYS  25          1HE       LYS  25   9.859  -9.265 -12.874
  678   2HE   LYS  25          2HE       LYS  25   9.869  -8.136 -11.507
  679   1HZ   LYS  25          1HZ       LYS  25   8.668  -9.789 -10.245
  680   2HZ   LYS  25          2HZ       LYS  25   8.638 -10.812 -11.536
  681   3HZ   LYS  25          3HZ       LYS  25  10.073 -10.427 -10.826
  682    H    LEU  26           H        LEU  26   3.830  -3.777 -11.886
  683    HA   LEU  26           HA       LEU  26   1.814  -5.117 -13.628
  684   1HB   LEU  26          1HB       LEU  26   0.996  -5.145 -11.312
  685   2HB   LEU  26          2HB       LEU  26   1.206  -3.392 -11.227
  686    HG   LEU  26           HG       LEU  26  -0.418  -3.333 -13.282
  687   1HD1  LEU  26          1HD1      LEU  26  -0.368  -5.791 -13.762
  688   2HD1  LEU  26          2HD1      LEU  26  -1.075  -6.095 -12.166
  689   3HD1  LEU  26          3HD1      LEU  26  -2.001  -5.214 -13.396
  690   1HD2  LEU  26          1HD2      LEU  26  -1.352  -4.161 -10.506
  691   2HD2  LEU  26          2HD2      LEU  26  -1.016  -2.506 -11.061
  692   3HD2  LEU  26          3HD2      LEU  26  -2.372  -3.411 -11.754
  693    HA   PRO  27           HA       PRO  27   3.003  -1.312 -15.758
  694   1HB   PRO  27          1HB       PRO  27   1.486  -1.552 -18.036
  695   2HB   PRO  27          2HB       PRO  27   3.006  -2.443 -17.749
  696   1HG   PRO  27          1HG       PRO  27   0.179  -3.432 -17.322
  697   2HG   PRO  27          2HG       PRO  27   1.525  -4.273 -18.143
  698   1HD   PRO  27          1HD       PRO  27   0.867  -4.790 -15.568
  699   2HD   PRO  27          2HD       PRO  27   2.584  -4.777 -16.069
  700    H    VAL  28           H        VAL  28  -0.404  -2.325 -15.247
  701    HA   VAL  28           HA       VAL  28  -1.701   0.125 -15.592
  702    HB   VAL  28           HB       VAL  28  -2.211  -2.042 -13.599
  703   1HG1  VAL  28          1HG1      VAL  28  -3.296  -0.081 -12.710
  704   2HG1  VAL  28          2HG1      VAL  28  -3.960   0.335 -14.307
  705   3HG1  VAL  28          3HG1      VAL  28  -4.528  -1.107 -13.436
  706   1HG2  VAL  28          1HG2      VAL  28  -3.583  -1.383 -16.232
  707   2HG2  VAL  28          2HG2      VAL  28  -2.452  -2.733 -15.978
  708   3HG2  VAL  28          3HG2      VAL  28  -4.008  -2.712 -15.136
  709    H    LEU  29           H        LEU  29   0.331  -0.949 -12.838
  710    HA   LEU  29           HA       LEU  29  -0.390   1.238 -11.111
  711   1HB   LEU  29          1HB       LEU  29   1.361  -1.061 -11.050
  712   2HB   LEU  29          2HB       LEU  29   2.331   0.345 -10.635
  713    HG   LEU  29           HG       LEU  29  -0.375  -0.043  -9.321
  714   1HD1  LEU  29          1HD1      LEU  29   0.663  -2.201  -9.087
  715   2HD1  LEU  29          2HD1      LEU  29   2.194  -1.467  -8.561
  716   3HD1  LEU  29          3HD1      LEU  29   0.749  -1.345  -7.536
  717   1HD2  LEU  29          1HD2      LEU  29   2.296   1.080  -8.337
  718   2HD2  LEU  29          2HD2      LEU  29   0.975   2.065  -9.010
  719   3HD2  LEU  29          3HD2      LEU  29   0.724   1.142  -7.512
  720    H    ALA  30           H        ALA  30   2.215   0.774 -13.514
  721    HA   ALA  30           HA       ALA  30   3.324   3.360 -13.124
  722   1HB   ALA  30          1HB       ALA  30   4.449   1.489 -14.409
  723   2HB   ALA  30          2HB       ALA  30   3.302   1.761 -15.731
  724   3HB   ALA  30          3HB       ALA  30   4.434   3.041 -15.268
  725    H    LYS  31           H        LYS  31   0.569   2.172 -15.015
  726    HA   LYS  31           HA       LYS  31   0.268   4.622 -16.519
  727   1HB   LYS  31          1HB       LYS  31  -0.631   2.304 -17.152
  728   2HB   LYS  31          2HB       LYS  31  -1.912   2.584 -15.953
  729   1HG   LYS  31          1HG       LYS  31  -2.517   4.701 -17.189
  730   2HG   LYS  31          2HG       LYS  31  -1.299   4.291 -18.409
  731   1HD   LYS  31          1HD       LYS  31  -2.503   2.144 -18.862
  732   2HD   LYS  31          2HD       LYS  31  -3.710   2.579 -17.630
  733   1HE   LYS  31          1HE       LYS  31  -4.272   4.644 -18.940
  734   2HE   LYS  31          2HE       LYS  31  -3.120   4.142 -20.192
  735   1HZ   LYS  31          1HZ       LYS  31  -4.437   2.167 -20.508
  736   2HZ   LYS  31          2HZ       LYS  31  -5.504   2.649 -19.347
  737   3HZ   LYS  31          3HZ       LYS  31  -5.347   3.522 -20.734
  738    H    ILE  32           H        ILE  32  -0.833   3.506 -13.363
  739    HA   ILE  32           HA       ILE  32  -2.908   5.519 -13.063
  740    HB   ILE  32           HB       ILE  32  -1.521   3.547 -11.199
  741   1HG1  ILE  32          1HG1      ILE  32  -4.461   3.852 -11.954
  742   2HG1  ILE  32          2HG1      ILE  32  -3.345   2.825 -12.849
  743   1HG2  ILE  32          1HG2      ILE  32  -1.848   5.492  -9.836
  744   2HG2  ILE  32          2HG2      ILE  32  -3.454   5.788 -10.510
  745   3HG2  ILE  32          3HG2      ILE  32  -3.162   4.396  -9.444
  746   1HD1  ILE  32          1HD1      ILE  32  -2.874   1.529 -10.766
  747   2HD1  ILE  32          2HD1      ILE  32  -4.114   2.479  -9.918
  748   3HD1  ILE  32          3HD1      ILE  32  -4.571   1.459 -11.283
  749    H    LEU  33           H        LEU  33   0.476   4.924 -11.984
  750    HA   LEU  33           HA       LEU  33   0.668   7.382 -10.508
  751   1HB   LEU  33          1HB       LEU  33   2.795   6.738 -10.064
  752   2HB   LEU  33          2HB       LEU  33   2.030   5.197 -10.479
  753    HG   LEU  33           HG       LEU  33   3.090   5.360 -12.692
  754   1HD1  LEU  33          1HD1      LEU  33   3.832   7.395 -13.295
  755   2HD1  LEU  33          2HD1      LEU  33   4.061   7.923 -11.611
  756   3HD1  LEU  33          3HD1      LEU  33   5.278   6.899 -12.420
  757   1HD2  LEU  33          1HD2      LEU  33   4.869   5.450 -10.232
  758   2HD2  LEU  33          2HD2      LEU  33   3.925   4.039 -10.760
  759   3HD2  LEU  33          3HD2      LEU  33   5.253   4.630 -11.771
  760    H    GLU  34           H        GLU  34   1.329   6.585 -13.959
  761    HA   GLU  34           HA       GLU  34   2.405   9.085 -14.695
  762   1HB   GLU  34          1HB       GLU  34   2.263   6.885 -16.025
  763   2HB   GLU  34          2HB       GLU  34   0.654   7.382 -16.512
  764   1HG   GLU  34          1HG       GLU  34   3.219   9.002 -16.933
  765   2HG   GLU  34          2HG       GLU  34   2.497   7.932 -18.140
  766    H    ASP  35           H        ASP  35  -0.960   7.911 -15.004
  767    HA   ASP  35           HA       ASP  35  -2.057  10.317 -16.016
  768   1HB   ASP  35          1HB       ASP  35  -3.177   8.038 -15.858
  769   2HB   ASP  35          2HB       ASP  35  -3.460   8.397 -14.142
  770    H    GLU  36           H        GLU  36  -1.817   9.140 -12.633
  771    HA   GLU  36           HA       GLU  36  -2.926  11.382 -11.347
  772   1HB   GLU  36          1HB       GLU  36  -0.662   9.597 -10.397
  773   2HB   GLU  36          2HB       GLU  36  -1.605  10.704  -9.396
  774   1HG   GLU  36          1HG       GLU  36  -3.329   8.811 -10.895
  775   2HG   GLU  36          2HG       GLU  36  -2.130   7.981  -9.893
  776    H    GLU  37           H        GLU  37   0.472  10.807 -12.551
  777    HA   GLU  37           HA       GLU  37   1.605  13.113 -11.471
  778   1HB   GLU  37          1HB       GLU  37   2.402  10.994 -13.110
  779   2HB   GLU  37          2HB       GLU  37   2.481  12.321 -14.241
  780   1HG   GLU  37          1HG       GLU  37   3.701  12.392 -11.438
  781   2HG   GLU  37          2HG       GLU  37   4.476  11.646 -12.833
  782    H    LYS  38           H        LYS  38  -0.344  12.781 -14.461
  783    HA   LYS  38           HA       LYS  38   0.044  15.515 -15.277
  784   1HB   LYS  38          1HB       LYS  38  -0.907  13.696 -16.721
  785   2HB   LYS  38          2HB       LYS  38  -2.375  13.727 -15.731
  786   1HG   LYS  38          1HG       LYS  38  -2.602  16.207 -16.276
  787   2HG   LYS  38          2HG       LYS  38  -1.255  16.025 -17.408
  788   1HD   LYS  38          1HD       LYS  38  -2.575  14.440 -18.744
  789   2HD   LYS  38          2HD       LYS  38  -3.856  14.418 -17.511
  790   1HE   LYS  38          1HE       LYS  38  -4.250  16.857 -17.862
  791   2HE   LYS  38          2HE       LYS  38  -2.997  16.881 -19.116
  792   1HZ   LYS  38          1HZ       LYS  38  -4.325  15.349 -20.376
  793   2HZ   LYS  38          2HZ       LYS  38  -5.476  15.304 -19.195
  794   3HZ   LYS  38          3HZ       LYS  38  -5.195  16.703 -20.021
  795    H    HIS  39           H        HIS  39  -2.302  13.909 -13.081
  796    HA   HIS  39           HA       HIS  39  -3.897  16.261 -12.641
  797   1HB   HIS  39          1HB       HIS  39  -3.545  13.746 -10.987
  798   2HB   HIS  39          2HB       HIS  39  -4.604  15.069 -10.542
  799    HD1  HIS  39           HD1      HIS  39  -6.986  14.140 -11.015
  800    HD2  HIS  39           HD2      HIS  39  -4.236  13.499 -14.150
  801    HE1  HIS  39           HE1      HIS  39  -8.329  13.369 -13.043
  802    HE2  HIS  39           HE2      HIS  39  -6.617  12.828 -14.884
  803    H    ILE  40           H        ILE  40  -0.942  15.027 -11.054
  804    HA   ILE  40           HA       ILE  40  -0.800  17.072  -9.028
  805    HB   ILE  40           HB       ILE  40   1.571  15.709 -10.382
  806   1HG1  ILE  40          1HG1      ILE  40  -0.045  14.877  -7.969
  807   2HG1  ILE  40          2HG1      ILE  40  -0.052  14.037  -9.484
  808   1HG2  ILE  40          1HG2      ILE  40   1.984  17.763  -8.844
  809   2HG2  ILE  40          2HG2      ILE  40   1.235  16.817  -7.546
  810   3HG2  ILE  40          3HG2      ILE  40   2.744  16.280  -8.292
  811   1HD1  ILE  40          1HD1      ILE  40   2.440  13.707  -9.374
  812   2HD1  ILE  40          2HD1      ILE  40   2.368  14.220  -7.679
  813   3HD1  ILE  40          3HD1      ILE  40   1.446  12.819  -8.217
  814    H    GLU  41           H        GLU  41   0.591  16.767 -12.297
  815    HA   GLU  41           HA       GLU  41   1.941  19.188 -12.439
  816   1HB   GLU  41          1HB       GLU  41   1.961  17.235 -14.106
  817   2HB   GLU  41          2HB       GLU  41   0.426  17.833 -14.723
  818   1HG   GLU  41          1HG       GLU  41   2.322  20.029 -14.645
  819   2HG   GLU  41          2HG       GLU  41   3.041  18.639 -15.464
  820    H    TRP  42           H        TRP  42  -1.559  18.506 -12.992
  821    HA   TRP  42           HA       TRP  42  -2.362  20.944 -13.983
  822   1HB   TRP  42          1HB       TRP  42  -3.597  18.688 -13.388
  823   2HB   TRP  42          2HB       TRP  42  -3.940  19.494 -11.858
  824    HD1  TRP  42           HD1      TRP  42  -4.934  19.384 -15.461
  825    HE1  TRP  42           HE1      TRP  42  -6.906  20.942 -15.919
  826    HE3  TRP  42           HE3      TRP  42  -4.905  21.763 -11.014
  827    HZ2  TRP  42           HZ2      TRP  42  -8.185  23.176 -14.511
  828    HZ3  TRP  42           HZ3      TRP  42  -6.482  23.659 -10.538
  829    HH2  TRP  42           HH2      TRP  42  -7.975  24.482 -12.330
  830    H    LEU  43           H        LEU  43  -1.604  20.023 -10.631
  831    HA   LEU  43           HA       LEU  43  -2.559  22.514  -9.479
  832   1HB   LEU  43          1HB       LEU  43  -0.890  20.231  -8.327
  833   2HB   LEU  43          2HB       LEU  43  -1.330  21.648  -7.408
  834    HG   LEU  43           HG       LEU  43  -3.756  20.509  -8.516
  835   1HD1  LEU  43          1HD1      LEU  43  -2.602  18.361  -8.520
  836   2HD1  LEU  43          2HD1      LEU  43  -1.931  18.645  -6.907
  837   3HD1  LEU  43          3HD1      LEU  43  -3.668  18.400  -7.109
  838   1HD2  LEU  43          1HD2      LEU  43  -2.664  20.749  -5.673
  839   2HD2  LEU  43          2HD2      LEU  43  -3.574  22.015  -6.525
  840   3HD2  LEU  43          3HD2      LEU  43  -4.362  20.480  -6.111
  841    H    GLU  44           H        GLU  44   0.324  21.690 -11.165
  842    HA   GLU  44           HA       GLU  44   1.739  23.927  -9.815
  843   1HB   GLU  44          1HB       GLU  44   3.733  23.045 -10.319
  844   2HB   GLU  44          2HB       GLU  44   2.789  21.556 -10.213
  845   1HG   GLU  44          1HG       GLU  44   2.572  21.615 -12.706
  846   2HG   GLU  44          2HG       GLU  44   3.589  23.067 -12.721
  847    H    THR  45           H        THR  45   0.622  22.801 -12.837
  848    HA   THR  45           HA       THR  45   1.622  24.963 -14.405
  849    HB   THR  45           HB       THR  45   0.618  22.599 -15.056
  850    HG1  THR  45           HG1      THR  45   0.591  24.934 -16.660
  851   1HG2  THR  45          1HG2      THR  45  -1.754  23.084 -14.614
  852   2HG2  THR  45          2HG2      THR  45  -1.721  24.371 -15.842
  853   3HG2  THR  45          3HG2      THR  45  -1.432  22.685 -16.304
  854    H    ILE  46           H        ILE  46  -1.518  24.362 -12.945
  855    HA   ILE  46           HA       ILE  46  -3.063  26.503 -13.396
  856    HB   ILE  46           HB       ILE  46  -3.499  24.727 -11.730
  857   1HG1  ILE  46          1HG1      ILE  46  -4.609  25.972  -9.972
  858   2HG1  ILE  46          2HG1      ILE  46  -3.791  27.469 -10.444
  859   1HG2  ILE  46          1HG2      ILE  46  -1.203  24.748 -10.779
  860   2HG2  ILE  46          2HG2      ILE  46  -1.634  26.155  -9.806
  861   3HG2  ILE  46          3HG2      ILE  46  -2.516  24.648  -9.594
  862   1HD1  ILE  46          1HD1      ILE  46  -4.916  27.462 -12.603
  863   2HD1  ILE  46          2HD1      ILE  46  -5.521  25.812 -12.336
  864   3HD1  ILE  46          3HD1      ILE  46  -6.144  27.161 -11.360
  865    H    LEU  47           H        LEU  47  -0.110  26.742 -11.351
  866    HA   LEU  47           HA       LEU  47  -0.567  29.660 -10.963
  867   1HB   LEU  47          1HB       LEU  47   0.102  28.161  -9.021
  868   2HB   LEU  47          2HB       LEU  47   1.617  27.854  -9.871
  869    HG   LEU  47           HG       LEU  47   1.786  30.529  -9.897
  870   1HD1  LEU  47          1HD1      LEU  47  -0.490  30.885  -8.921
  871   2HD1  LEU  47          2HD1      LEU  47   0.031  30.031  -7.453
  872   3HD1  LEU  47          3HD1      LEU  47   0.801  31.562  -7.914
  873   1HD2  LEU  47          1HD2      LEU  47   2.300  28.863  -7.408
  874   2HD2  LEU  47          2HD2      LEU  47   3.390  29.047  -8.801
  875   3HD2  LEU  47          3HD2      LEU  47   3.020  30.446  -7.780
  876    H    GLY  48           H        GLY  48   1.730  27.273 -12.316
  877   1HA   GLY  48          1HA       GLY  48   3.250  27.467 -14.027
  878   2HA   GLY  48          2HA       GLY  48   2.734  29.133 -14.332
  879   1HN   NH2  49          1HN       NH2  49   3.230  30.628 -12.219
  880   2HN   NH2  49          2HN       NH2  49   4.905  30.477 -11.622
  Start of MODEL    4
    1   1H    ACE   0          H1        ACE   0   0.643 -15.324 -14.047
    2   2H    ACE   0          H2        ACE   0   0.187 -14.633 -15.622
    3   3H    ACE   0          H3        ACE   0  -0.584 -14.044 -14.133
    4    H    ASP   1           H        ASP   1   2.701 -14.557 -15.415
    5    HA   ASP   1           HA       ASP   1   4.348 -13.137 -13.892
    6   1HB   ASP   1          1HB       ASP   1   5.088 -14.308 -15.885
    7   2HB   ASP   1          2HB       ASP   1   4.304 -13.122 -16.940
    8    H    TYR   2           H        TYR   2   2.689 -11.499 -16.621
    9    HA   TYR   2           HA       TYR   2   3.564  -8.902 -16.232
   10   1HB   TYR   2          1HB       TYR   2   0.764  -9.641 -17.074
   11   2HB   TYR   2          2HB       TYR   2   1.775  -8.303 -17.606
   12    HD1  TYR   2           HD1      TYR   2   4.369  -9.685 -18.253
   13    HD2  TYR   2           HD2      TYR   2   0.287 -10.814 -19.054
   14    HE1  TYR   2           HE1      TYR   2   5.159 -11.473 -19.757
   15    HE2  TYR   2           HE2      TYR   2   1.087 -12.522 -20.677
   16    HH   TYR   2           HH       TYR   2   4.538 -12.952 -21.433
   17    H    LEU   3           H        LEU   3   0.714 -10.473 -14.714
   18    HA   LEU   3           HA       LEU   3   0.201  -8.082 -13.142
   19   1HB   LEU   3          1HB       LEU   3  -1.211 -10.781 -13.258
   20   2HB   LEU   3          2HB       LEU   3  -1.808  -9.392 -12.347
   21    HG   LEU   3           HG       LEU   3  -1.434  -9.336 -15.377
   22   1HD1  LEU   3          1HD1      LEU   3  -3.049 -11.086 -14.793
   23   2HD1  LEU   3          2HD1      LEU   3  -3.926  -9.954 -13.742
   24   3HD1  LEU   3          3HD1      LEU   3  -3.881  -9.688 -15.497
   25   1HD2  LEU   3          1HD2      LEU   3  -1.540  -7.097 -14.242
   26   2HD2  LEU   3          2HD2      LEU   3  -2.957  -7.410 -15.253
   27   3HD2  LEU   3          3HD2      LEU   3  -3.077  -7.576 -13.492
   28    H    ARG   4           H        ARG   4   2.413 -10.468 -12.766
   29    HA   ARG   4           HA       ARG   4   2.307 -10.218  -9.783
   30   1HB   ARG   4          1HB       ARG   4   4.075 -11.986 -11.489
   31   2HB   ARG   4          2HB       ARG   4   3.987 -11.928  -9.729
   32   1HG   ARG   4          1HG       ARG   4   1.295 -12.394 -10.735
   33   2HG   ARG   4          2HG       ARG   4   2.403 -13.475 -11.579
   34   1HD   ARG   4          1HD       ARG   4   1.632 -14.627  -9.651
   35   2HD   ARG   4          2HD       ARG   4   3.318 -14.171  -9.310
   36    HE   ARG   4           HE       ARG   4   1.574 -12.119  -8.369
   37   1HH1  ARG   4          1HH2      ARG   4   2.466 -15.442  -7.648
   38   2HH1  ARG   4          2HH2      ARG   4   1.866 -15.426  -6.012
   39   1HH2  ARG   4          1HH1      ARG   4   0.739 -12.057  -6.248
   40   2HH2  ARG   4          2HH1      ARG   4   0.866 -13.433  -5.188
   41    H    GLU   5           H        GLU   5   3.629  -8.832 -12.628
   42    HA   GLU   5           HA       GLU   5   6.090  -7.863 -11.177
   43   1HB   GLU   5          1HB       GLU   5   5.394  -8.461 -14.035
   44   2HB   GLU   5          2HB       GLU   5   6.404  -7.042 -13.734
   45   1HG   GLU   5          1HG       GLU   5   7.693  -9.130 -14.182
   46   2HG   GLU   5          2HG       GLU   5   8.100  -8.328 -12.662
   47    H    LEU   6           H        LEU   6   3.524  -6.727 -13.357
   48    HA   LEU   6           HA       LEU   6   4.034  -3.905 -12.678
   49   1HB   LEU   6          1HB       LEU   6   2.104  -5.186 -14.668
   50   2HB   LEU   6          2HB       LEU   6   2.426  -3.466 -14.441
   51    HG   LEU   6           HG       LEU   6   4.915  -4.043 -15.129
   52   1HD1  LEU   6          1HD1      LEU   6   4.495  -6.603 -15.108
   53   2HD1  LEU   6          2HD1      LEU   6   3.481  -6.327 -16.522
   54   3HD1  LEU   6          3HD1      LEU   6   5.223  -5.914 -16.525
   55   1HD2  LEU   6          1HD2      LEU   6   2.611  -4.056 -17.056
   56   2HD2  LEU   6          2HD2      LEU   6   3.368  -2.627 -16.310
   57   3HD2  LEU   6          3HD2      LEU   6   4.343  -3.680 -17.337
   58    H    LEU   7           H        LEU   7   3.025  -5.691 -10.668
   59    HA   LEU   7           HA       LEU   7   0.666  -4.194  -9.949
   60   1HB   LEU   7          1HB       LEU   7  -0.042  -6.396 -11.083
   61   2HB   LEU   7          2HB       LEU   7   0.623  -7.217  -9.662
   62    HG   LEU   7           HG       LEU   7  -1.558  -5.093  -9.600
   63   1HD1  LEU   7          1HD1      LEU   7  -2.296  -7.080 -10.849
   64   2HD1  LEU   7          2HD1      LEU   7  -1.814  -8.127  -9.495
   65   3HD1  LEU   7          3HD1      LEU   7  -3.140  -6.961  -9.298
   66   1HD2  LEU   7          1HD2      LEU   7  -0.413  -6.979  -7.486
   67   2HD2  LEU   7          2HD2      LEU   7  -0.602  -5.209  -7.396
   68   3HD2  LEU   7          3HD2      LEU   7  -2.018  -6.253  -7.319
   69    H    LYS   8           H        LYS   8   2.842  -6.889  -8.940
   70    HA   LYS   8           HA       LYS   8   2.620  -6.229  -6.239
   71   1HB   LYS   8          1HB       LYS   8   3.850  -8.278  -7.719
   72   2HB   LYS   8          2HB       LYS   8   5.190  -7.511  -6.865
   73   1HG   LYS   8          1HG       LYS   8   3.649  -7.769  -4.752
   74   2HG   LYS   8          2HG       LYS   8   2.650  -8.789  -5.798
   75   1HD   LYS   8          1HD       LYS   8   4.044 -10.364  -4.767
   76   2HD   LYS   8          2HD       LYS   8   4.885 -10.082  -6.302
   77   1HE   LYS   8          1HE       LYS   8   6.376  -8.416  -5.108
   78   2HE   LYS   8          2HE       LYS   8   5.509  -8.765  -3.603
   79   1HZ   LYS   8          1HZ       LYS   8   6.248 -11.026  -3.777
   80   2HZ   LYS   8          2HZ       LYS   8   7.084 -10.685  -5.159
   81   3HZ   LYS   8          3HZ       LYS   8   7.518  -9.977  -3.735
   82    H    LEU   9           H        LEU   9   5.104  -5.424  -8.696
   83    HA   LEU   9           HA       LEU   9   6.762  -3.846  -6.927
   84   1HB   LEU   9          1HB       LEU   9   6.466  -3.765  -9.933
   85   2HB   LEU   9          2HB       LEU   9   7.638  -2.832  -8.996
   86    HG   LEU   9           HG       LEU   9   7.586  -5.861  -8.863
   87   1HD1  LEU   9          1HD1      LEU   9   7.993  -5.144 -11.185
   88   2HD1  LEU   9          2HD1      LEU   9   9.249  -4.013 -10.620
   89   3HD1  LEU   9          3HD1      LEU   9   9.483  -5.767 -10.453
   90   1HD2  LEU   9          1HD2      LEU   9   9.645  -3.715  -8.114
   91   2HD2  LEU   9          2HD2      LEU   9   8.798  -4.791  -6.990
   92   3HD2  LEU   9          3HD2      LEU   9   9.970  -5.457  -8.125
   93    H    GLU  10           H        GLU  10   3.967  -3.083  -9.023
   94    HA   GLU  10           HA       GLU  10   4.006  -0.272  -8.608
   95   1HB   GLU  10          1HB       GLU  10   1.638  -2.182  -8.978
   96   2HB   GLU  10          2HB       GLU  10   1.587  -0.447  -8.920
   97   1HG   GLU  10          1HG       GLU  10   3.123  -0.383 -10.973
   98   2HG   GLU  10          2HG       GLU  10   2.807  -2.131 -11.151
   99    H    LEU  11           H        LEU  11   2.435  -2.881  -6.716
  100    HA   LEU  11           HA       LEU  11   1.164  -1.127  -4.830
  101   1HB   LEU  11          1HB       LEU  11   0.396  -3.419  -5.119
  102   2HB   LEU  11          2HB       LEU  11   1.995  -4.064  -4.742
  103    HG   LEU  11           HG       LEU  11   1.804  -3.295  -2.401
  104   1HD1  LEU  11          1HD1      LEU  11   0.294  -1.357  -2.671
  105   2HD1  LEU  11          2HD1      LEU  11  -1.009  -2.432  -3.224
  106   3HD1  LEU  11          3HD1      LEU  11  -0.409  -2.533  -1.555
  107   1HD2  LEU  11          1HD2      LEU  11  -0.550  -4.967  -3.358
  108   2HD2  LEU  11          2HD2      LEU  11   1.097  -5.561  -3.056
  109   3HD2  LEU  11          3HD2      LEU  11   0.123  -4.937  -1.713
  110    H    GLN  12           H        GLN  12   4.219  -2.996  -4.681
  111    HA   GLN  12           HA       GLN  12   5.080  -2.105  -2.141
  112   1HB   GLN  12          1HB       GLN  12   6.644  -2.852  -4.645
  113   2HB   GLN  12          2HB       GLN  12   7.434  -2.329  -3.168
  114   1HG   GLN  12          1HG       GLN  12   7.467  -4.407  -2.441
  115   2HG   GLN  12          2HG       GLN  12   5.730  -4.283  -2.171
  116   1HE2  GLN  12          2HE2      GLN  12   7.712  -4.574  -5.174
  117   2HE2  GLN  12          1HE2      GLN  12   6.885  -5.998  -5.759
  118    H    LEU  13           H        LEU  13   5.138  -0.360  -5.253
  119    HA   LEU  13           HA       LEU  13   6.978   1.639  -4.312
  120   1HB   LEU  13          1HB       LEU  13   5.016   1.792  -6.631
  121   2HB   LEU  13          2HB       LEU  13   6.269   2.943  -6.219
  122    HG   LEU  13           HG       LEU  13   6.435   0.427  -7.667
  123   1HD1  LEU  13          1HD1      LEU  13   7.067   2.647  -8.536
  124   2HD1  LEU  13          2HD1      LEU  13   8.357   2.776  -7.326
  125   3HD1  LEU  13          3HD1      LEU  13   8.439   1.527  -8.580
  126   1HD2  LEU  13          1HD2      LEU  13   8.715   0.896  -5.706
  127   2HD2  LEU  13          2HD2      LEU  13   7.610  -0.488  -5.636
  128   3HD2  LEU  13          3HD2      LEU  13   8.630  -0.304  -7.029
  129    H    ILE  14           H        ILE  14   3.397   1.650  -4.811
  130    HA   ILE  14           HA       ILE  14   2.924   4.171  -3.530
  131    HB   ILE  14           HB       ILE  14   1.294   1.537  -3.539
  132   1HG1  ILE  14          1HG1      ILE  14   1.470   2.226  -5.748
  133   2HG1  ILE  14          2HG1      ILE  14  -0.100   2.833  -5.234
  134   1HG2  ILE  14          1HG2      ILE  14   0.448   2.844  -1.684
  135   2HG2  ILE  14          2HG2      ILE  14   0.412   4.321  -2.661
  136   3HG2  ILE  14          3HG2      ILE  14  -0.693   2.980  -3.021
  137   1HD1  ILE  14          1HD1      ILE  14   1.154   5.067  -4.736
  138   2HD1  ILE  14          2HD1      ILE  14   2.468   4.376  -5.720
  139   3HD1  ILE  14          3HD1      ILE  14   0.863   4.639  -6.419
  140    H    LYS  15           H        LYS  15   3.386   1.043  -2.161
  141    HA   LYS  15           HA       LYS  15   3.001   1.719   0.600
  142   1HB   LYS  15          1HB       LYS  15   3.612  -0.610  -0.860
  143   2HB   LYS  15          2HB       LYS  15   5.074  -0.312   0.026
  144   1HG   LYS  15          1HG       LYS  15   3.769  -1.781   1.337
  145   2HG   LYS  15          2HG       LYS  15   3.549  -0.213   2.134
  146   1HD   LYS  15          1HD       LYS  15   1.377   0.083   0.980
  147   2HD   LYS  15          2HD       LYS  15   1.621  -1.390   0.042
  148   1HE   LYS  15          1HE       LYS  15   1.499  -1.395   3.093
  149   2HE   LYS  15          2HE       LYS  15   0.063  -1.558   2.069
  150   1HZ   LYS  15          1HZ       LYS  15   0.988  -3.495   1.092
  151   2HZ   LYS  15          2HZ       LYS  15   2.369  -3.369   1.983
  152   3HZ   LYS  15          3HZ       LYS  15   0.931  -3.671   2.726
  153    H    GLN  16           H        GLN  16   5.935   1.630  -1.452
  154    HA   GLN  16           HA       GLN  16   7.752   2.397   0.635
  155   1HB   GLN  16          1HB       GLN  16   7.938   1.679  -2.164
  156   2HB   GLN  16          2HB       GLN  16   8.731   3.224  -1.981
  157   1HG   GLN  16          1HG       GLN  16   9.301   0.784  -0.242
  158   2HG   GLN  16          2HG       GLN  16  10.208   1.224  -1.693
  159   1HE2  GLN  16          2HE2      GLN  16  10.395   1.487   1.649
  160   2HE2  GLN  16          1HE2      GLN  16  11.401   2.910   1.686
  161    H    TYR  17           H        TYR  17   5.879   4.187  -1.731
  162    HA   TYR  17           HA       TYR  17   7.067   6.754  -1.385
  163   1HB   TYR  17          1HB       TYR  17   4.615   5.566  -2.640
  164   2HB   TYR  17          2HB       TYR  17   4.453   7.212  -2.160
  165    HD1  TYR  17           HD1      TYR  17   5.205   8.971  -3.549
  166    HD2  TYR  17           HD2      TYR  17   6.711   4.983  -4.190
  167    HE1  TYR  17           HE1      TYR  17   6.171   9.677  -5.694
  168    HE2  TYR  17           HE2      TYR  17   7.480   5.644  -6.428
  169    HH   TYR  17           HH       TYR  17   7.203   9.003  -7.645
  170    H    ARG  18           H        ARG  18   4.563   4.971   0.365
  171    HA   ARG  18           HA       ARG  18   3.704   7.326   1.895
  172   1HB   ARG  18          1HB       ARG  18   3.137   4.368   2.311
  173   2HB   ARG  18          2HB       ARG  18   2.508   5.669   3.338
  174   1HG   ARG  18          1HG       ARG  18   1.410   6.719   1.368
  175   2HG   ARG  18          2HG       ARG  18   2.032   5.429   0.349
  176   1HD   ARG  18          1HD       ARG  18  -0.041   4.622   0.694
  177   2HD   ARG  18          2HD       ARG  18   0.766   3.841   2.069
  178    HE   ARG  18           HE       ARG  18  -0.160   6.347   2.968
  179   1HH1  ARG  18          1HH2      ARG  18  -1.526   3.356   1.717
  180   2HH1  ARG  18          2HH2      ARG  18  -3.144   3.661   2.285
  181   1HH2  ARG  18          1HH1      ARG  18  -2.282   6.812   3.696
  182   2HH2  ARG  18          2HH1      ARG  18  -3.576   5.672   3.457
  183    H    GLU  19           H        GLU  19   5.732   4.504   2.369
  184    HA   GLU  19           HA       GLU  19   6.661   5.099   4.971
  185   1HB   GLU  19          1HB       GLU  19   7.045   2.986   3.572
  186   2HB   GLU  19          2HB       GLU  19   8.388   3.862   2.816
  187   1HG   GLU  19          1HG       GLU  19   9.463   4.140   5.015
  188   2HG   GLU  19          2HG       GLU  19   8.077   3.372   5.809
  189    H    ALA  20           H        ALA  20   7.920   6.213   1.753
  190    HA   ALA  20           HA       ALA  20  10.094   7.630   3.100
  191   1HB   ALA  20          1HB       ALA  20  10.547   6.640   1.030
  192   2HB   ALA  20          2HB       ALA  20   9.195   7.498   0.246
  193   3HB   ALA  20          3HB       ALA  20  10.637   8.397   0.790
  194    H    LEU  21           H        LEU  21   6.816   8.467   2.191
  195    HA   LEU  21           HA       LEU  21   6.954  11.170   1.873
  196   1HB   LEU  21          1HB       LEU  21   4.926   9.676   1.892
  197   2HB   LEU  21          2HB       LEU  21   4.861   9.841   3.647
  198    HG   LEU  21           HG       LEU  21   5.068  12.374   2.008
  199   1HD1  LEU  21          1HD1      LEU  21   3.464  10.968   0.736
  200   2HD1  LEU  21          2HD1      LEU  21   2.493  10.774   2.206
  201   3HD1  LEU  21          3HD1      LEU  21   2.727  12.396   1.501
  202   1HD2  LEU  21          1HD2      LEU  21   3.344  11.624   4.404
  203   2HD2  LEU  21          2HD2      LEU  21   4.856  12.557   4.470
  204   3HD2  LEU  21          3HD2      LEU  21   3.446  13.223   3.640
  205    H    GLU  22           H        GLU  22   7.252   9.440   4.949
  206    HA   GLU  22           HA       GLU  22   7.256  11.872   6.547
  207   1HB   GLU  22          1HB       GLU  22   7.731   8.922   7.127
  208   2HB   GLU  22          2HB       GLU  22   8.025  10.167   8.349
  209   1HG   GLU  22          1HG       GLU  22   5.355   9.886   6.899
  210   2HG   GLU  22          2HG       GLU  22   5.723   9.123   8.452
  211    H    TYR  23           H        TYR  23   9.720   9.637   5.192
  212    HA   TYR  23           HA       TYR  23  11.914  10.839   6.588
  213   1HB   TYR  23          1HB       TYR  23  11.608   9.149   4.072
  214   2HB   TYR  23          2HB       TYR  23  13.132   9.806   4.584
  215    HD1  TYR  23           HD1      TYR  23  11.383   6.828   4.656
  216    HD2  TYR  23           HD2      TYR  23  13.637   9.431   7.257
  217    HE1  TYR  23           HE1      TYR  23  11.840   4.934   6.161
  218    HE2  TYR  23           HE2      TYR  23  14.062   7.535   8.774
  219    HH   TYR  23           HH       TYR  23  13.748   5.292   9.159
  220    H    VAL  24           H        VAL  24  10.166  11.603   3.612
  221    HA   VAL  24           HA       VAL  24  12.168  13.672   2.884
  222    HB   VAL  24           HB       VAL  24   9.690  12.659   1.471
  223   1HG1  VAL  24          1HG1      VAL  24  10.162  14.946   0.725
  224   2HG1  VAL  24          2HG1      VAL  24  11.885  14.565   0.536
  225   3HG1  VAL  24          3HG1      VAL  24  10.680  13.816  -0.530
  226   1HG2  VAL  24          1HG2      VAL  24  12.662  12.168   0.949
  227   2HG2  VAL  24          2HG2      VAL  24  11.540  10.970   1.616
  228   3HG2  VAL  24          3HG2      VAL  24  11.318  11.554  -0.035
  229    H    LYS  25           H        LYS  25   8.922  13.473   4.245
  230    HA   LYS  25           HA       LYS  25   7.409  14.955   4.934
  231   1HB   LYS  25          1HB       LYS  25   9.798  16.759   5.488
  232   2HB   LYS  25          2HB       LYS  25   8.144  16.973   6.075
  233   1HG   LYS  25          1HG       LYS  25   8.440  14.493   6.967
  234   2HG   LYS  25          2HG       LYS  25  10.167  14.863   6.834
  235   1HD   LYS  25          1HD       LYS  25   9.767  16.901   8.295
  236   2HD   LYS  25          2HD       LYS  25   8.050  16.466   8.367
  237   1HE   LYS  25          1HE       LYS  25   8.977  15.638  10.394
  238   2HE   LYS  25          2HE       LYS  25   8.734  14.220   9.362
  239   1HZ   LYS  25          1HZ       LYS  25  11.065  14.351   8.784
  240   2HZ   LYS  25          2HZ       LYS  25  11.269  15.646   9.785
  241   3HZ   LYS  25          3HZ       LYS  25  10.857  14.178  10.409
  242    H    LEU  26           H        LEU  26   6.914  14.845   2.530
  243    HA   LEU  26           HA       LEU  26   6.697  17.640   1.498
  244   1HB   LEU  26          1HB       LEU  26   8.583  16.622   0.380
  245   2HB   LEU  26          2HB       LEU  26   7.635  15.175   0.031
  246    HG   LEU  26           HG       LEU  26   6.088  16.735  -1.319
  247   1HD1  LEU  26          1HD1      LEU  26   7.044  18.934  -0.554
  248   2HD1  LEU  26          2HD1      LEU  26   8.590  18.491  -1.302
  249   3HD1  LEU  26          3HD1      LEU  26   7.158  18.737  -2.308
  250   1HD2  LEU  26          1HD2      LEU  26   8.913  16.201  -2.310
  251   2HD2  LEU  26          2HD2      LEU  26   7.555  15.054  -2.357
  252   3HD2  LEU  26          3HD2      LEU  26   7.497  16.519  -3.324
  253    HA   PRO  27           HA       PRO  27   2.493  15.894   1.342
  254   1HB   PRO  27          1HB       PRO  27   1.092  18.085   0.498
  255   2HB   PRO  27          2HB       PRO  27   1.692  17.883   2.168
  256   1HG   PRO  27          1HG       PRO  27   2.993  19.438  -0.081
  257   2HG   PRO  27          2HG       PRO  27   2.708  19.973   1.598
  258   1HD   PRO  27          1HD       PRO  27   5.107  18.995   0.794
  259   2HD   PRO  27          2HD       PRO  27   4.479  18.611   2.423
  260    H    VAL  28           H        VAL  28   4.009  17.731  -1.345
  261    HA   VAL  28           HA       VAL  28   2.505  16.860  -3.526
  262    HB   VAL  28           HB       VAL  28   5.430  17.341  -3.240
  263   1HG1  VAL  28          1HG1      VAL  28   5.335  15.696  -5.012
  264   2HG1  VAL  28          2HG1      VAL  28   4.011  16.591  -5.806
  265   3HG1  VAL  28          3HG1      VAL  28   5.641  17.278  -5.713
  266   1HG2  VAL  28          1HG2      VAL  28   3.374  18.867  -4.856
  267   2HG2  VAL  28          2HG2      VAL  28   3.993  19.362  -3.255
  268   3HG2  VAL  28          3HG2      VAL  28   5.081  19.274  -4.648
  269    H    LEU  29           H        LEU  29   4.753  14.934  -1.472
  270    HA   LEU  29           HA       LEU  29   5.093  12.843  -3.282
  271   1HB   LEU  29          1HB       LEU  29   6.214  13.637  -0.947
  272   2HB   LEU  29          2HB       LEU  29   5.192  12.367  -0.285
  273    HG   LEU  29           HG       LEU  29   6.891  11.892  -2.718
  274   1HD1  LEU  29          1HD1      LEU  29   8.470  12.995  -1.284
  275   2HD1  LEU  29          2HD1      LEU  29   7.969  12.023   0.109
  276   3HD1  LEU  29          3HD1      LEU  29   8.824  11.260  -1.246
  277   1HD2  LEU  29          1HD2      LEU  29   5.277  10.152  -1.658
  278   2HD2  LEU  29          2HD2      LEU  29   6.952   9.603  -1.866
  279   3HD2  LEU  29          3HD2      LEU  29   6.379  10.126  -0.274
  280    H    ALA  30           H        ALA  30   2.781  13.070  -0.495
  281    HA   ALA  30           HA       ALA  30   1.409  10.666  -1.074
  282   1HB   ALA  30          1HB       ALA  30   0.725  11.686   0.947
  283   2HB   ALA  30          2HB       ALA  30   0.461  13.276   0.175
  284   3HB   ALA  30          3HB       ALA  30  -0.643  11.919  -0.120
  285    H    LYS  31           H        LYS  31   1.138  14.011  -2.502
  286    HA   LYS  31           HA       LYS  31  -1.311  13.333  -3.922
  287   1HB   LYS  31          1HB       LYS  31   0.652  15.599  -4.177
  288   2HB   LYS  31          2HB       LYS  31  -0.606  15.373  -5.380
  289   1HG   LYS  31          1HG       LYS  31  -1.627  15.279  -2.574
  290   2HG   LYS  31          2HG       LYS  31  -0.817  16.776  -3.003
  291   1HD   LYS  31          1HD       LYS  31  -2.855  17.402  -3.680
  292   2HD   LYS  31          2HD       LYS  31  -2.377  16.667  -5.197
  293   1HE   LYS  31          1HE       LYS  31  -4.022  15.279  -3.006
  294   2HE   LYS  31          2HE       LYS  31  -4.706  16.143  -4.388
  295   1HZ   LYS  31          1HZ       LYS  31  -3.635  14.602  -5.852
  296   2HZ   LYS  31          2HZ       LYS  31  -3.022  13.756  -4.581
  297   3HZ   LYS  31          3HZ       LYS  31  -4.643  13.835  -4.807
  298    H    ILE  32           H        ILE  32   2.088  13.021  -4.674
  299    HA   ILE  32           HA       ILE  32   1.741  12.472  -7.520
  300    HB   ILE  32           HB       ILE  32   4.007  12.025  -5.519
  301   1HG1  ILE  32          1HG1      ILE  32   3.710  13.736  -8.028
  302   2HG1  ILE  32          2HG1      ILE  32   3.634  14.314  -6.383
  303   1HG2  ILE  32          1HG2      ILE  32   4.083  10.082  -6.974
  304   2HG2  ILE  32          2HG2      ILE  32   3.819  11.093  -8.401
  305   3HG2  ILE  32          3HG2      ILE  32   5.347  11.175  -7.491
  306   1HD1  ILE  32          1HD1      ILE  32   6.018  13.510  -6.048
  307   2HD1  ILE  32          2HD1      ILE  32   6.088  13.194  -7.799
  308   3HD1  ILE  32          3HD1      ILE  32   5.817  14.831  -7.218
  309    H    LEU  33           H        LEU  33   2.142  10.602  -4.452
  310    HA   LEU  33           HA       LEU  33   2.088   8.174  -5.880
  311   1HB   LEU  33          1HB       LEU  33   2.412   7.152  -3.823
  312   2HB   LEU  33          2HB       LEU  33   2.971   8.804  -3.537
  313    HG   LEU  33           HG       LEU  33   0.792   9.299  -2.506
  314   1HD1  LEU  33          1HD1      LEU  33  -0.873   7.863  -2.866
  315   2HD1  LEU  33          2HD1      LEU  33   0.231   6.529  -3.251
  316   3HD1  LEU  33          3HD1      LEU  33  -0.140   6.934  -1.555
  317   1HD2  LEU  33          1HD2      LEU  33   2.437   7.075  -1.292
  318   2HD2  LEU  33          2HD2      LEU  33   2.922   8.789  -1.324
  319   3HD2  LEU  33          3HD2      LEU  33   1.490   8.299  -0.403
  320    H    GLU  34           H        GLU  34  -0.506  10.152  -4.519
  321    HA   GLU  34           HA       GLU  34  -2.614   8.282  -4.804
  322   1HB   GLU  34          1HB       GLU  34  -2.530  10.573  -3.647
  323   2HB   GLU  34          2HB       GLU  34  -2.811  11.303  -5.208
  324   1HG   GLU  34          1HG       GLU  34  -4.672   9.153  -4.087
  325   2HG   GLU  34          2HG       GLU  34  -4.839  10.848  -3.623
  326    H    ASP  35           H        ASP  35  -1.279  10.730  -6.995
  327    HA   ASP  35           HA       ASP  35  -3.014  10.237  -9.197
  328   1HB   ASP  35          1HB       ASP  35  -1.243  12.099  -8.920
  329   2HB   ASP  35          2HB       ASP  35  -0.068  10.932  -9.545
  330    H    GLU  36           H        GLU  36   0.203   8.857  -8.483
  331    HA   GLU  36           HA       GLU  36   0.352   6.952 -10.550
  332   1HB   GLU  36          1HB       GLU  36   1.371   6.700  -7.684
  333   2HB   GLU  36          2HB       GLU  36   1.923   5.734  -9.044
  334   1HG   GLU  36          1HG       GLU  36   2.238   8.762  -9.109
  335   2HG   GLU  36          2HG       GLU  36   3.369   7.736  -8.218
  336    H    GLU  37           H        GLU  37  -1.240   6.643  -7.273
  337    HA   GLU  37           HA       GLU  37  -1.570   3.967  -7.164
  338   1HB   GLU  37          1HB       GLU  37  -1.759   5.415  -5.250
  339   2HB   GLU  37          2HB       GLU  37  -2.937   6.444  -6.051
  340   1HG   GLU  37          1HG       GLU  37  -4.580   4.924  -6.071
  341   2HG   GLU  37          2HG       GLU  37  -3.479   3.610  -5.547
  342    H    LYS  38           H        LYS  38  -3.534   6.499  -8.838
  343    HA   LYS  38           HA       LYS  38  -5.717   4.644  -9.309
  344   1HB   LYS  38          1HB       LYS  38  -5.630   7.281  -9.255
  345   2HB   LYS  38          2HB       LYS  38  -5.207   7.135 -10.969
  346   1HG   LYS  38          1HG       LYS  38  -7.311   5.856 -11.359
  347   2HG   LYS  38          2HG       LYS  38  -7.641   5.867  -9.614
  348   1HD   LYS  38          1HD       LYS  38  -7.658   8.384  -9.667
  349   2HD   LYS  38          2HD       LYS  38  -7.529   8.312 -11.437
  350   1HE   LYS  38          1HE       LYS  38  -9.668   7.045 -11.539
  351   2HE   LYS  38          2HE       LYS  38  -9.751   7.017  -9.768
  352   1HZ   LYS  38          1HZ       LYS  38  -9.886   9.393  -9.784
  353   2HZ   LYS  38          2HZ       LYS  38  -9.836   9.431 -11.431
  354   3HZ   LYS  38          3HZ       LYS  38 -11.115   8.731 -10.658
  355    H    HIS  39           H        HIS  39  -2.872   5.617 -11.231
  356    HA   HIS  39           HA       HIS  39  -3.698   4.032 -13.548
  357   1HB   HIS  39          1HB       HIS  39  -1.054   5.179 -12.544
  358   2HB   HIS  39          2HB       HIS  39  -1.181   4.161 -13.962
  359    HD1  HIS  39           HD1      HIS  39  -0.259   7.223 -14.159
  360    HD2  HIS  39           HD2      HIS  39  -4.158   5.714 -14.824
  361    HE1  HIS  39           HE1      HIS  39  -1.418   8.795 -15.798
  362    HE2  HIS  39           HE2      HIS  39  -3.787   7.909 -16.153
  363    H    ILE  40           H        ILE  40  -1.722   3.449 -10.703
  364    HA   ILE  40           HA       ILE  40  -1.012   0.752 -11.319
  365    HB   ILE  40           HB       ILE  40  -1.199   2.459  -8.838
  366   1HG1  ILE  40          1HG1      ILE  40   1.262   1.164 -10.093
  367   2HG1  ILE  40          2HG1      ILE  40   0.631   2.667 -10.652
  368   1HG2  ILE  40          1HG2      ILE  40  -1.791   0.400  -7.889
  369   2HG2  ILE  40          2HG2      ILE  40  -0.616  -0.504  -8.843
  370   3HG2  ILE  40          3HG2      ILE  40  -0.075   0.597  -7.551
  371   1HD1  ILE  40          1HD1      ILE  40   0.857   3.537  -8.294
  372   2HD1  ILE  40          2HD1      ILE  40   1.726   2.023  -7.913
  373   3HD1  ILE  40          3HD1      ILE  40   2.376   3.140  -9.121
  374    H    GLU  41           H        GLU  41  -3.855   2.272  -9.819
  375    HA   GLU  41           HA       GLU  41  -5.021  -0.110  -8.859
  376   1HB   GLU  41          1HB       GLU  41  -5.790   2.262  -8.304
  377   2HB   GLU  41          2HB       GLU  41  -6.545   2.325  -9.905
  378   1HG   GLU  41          1HG       GLU  41  -7.338  -0.115  -8.568
  379   2HG   GLU  41          2HG       GLU  41  -7.527   1.245  -7.455
  380    H    TRP  42           H        TRP  42  -4.996   1.446 -12.073
  381    HA   TRP  42           HA       TRP  42  -6.996  -0.023 -13.303
  382   1HB   TRP  42          1HB       TRP  42  -5.403   1.895 -14.111
  383   2HB   TRP  42          2HB       TRP  42  -4.363   0.582 -14.660
  384    HD1  TRP  42           HD1      TRP  42  -7.918   1.926 -15.139
  385    HE1  TRP  42           HE1      TRP  42  -8.908   0.885 -17.271
  386    HE3  TRP  42           HE3      TRP  42  -4.122  -1.107 -16.409
  387    HZ2  TRP  42           HZ2      TRP  42  -7.926  -0.574 -19.590
  388    HZ3  TRP  42           HZ3      TRP  42  -4.159  -2.414 -18.587
  389    HH2  TRP  42           HH2      TRP  42  -6.052  -2.100 -20.174
  390    H    LEU  43           H        LEU  43  -3.604  -0.966 -12.659
  391    HA   LEU  43           HA       LEU  43  -3.900  -3.558 -14.001
  392   1HB   LEU  43          1HB       LEU  43  -1.765  -2.401 -12.229
  393   2HB   LEU  43          2HB       LEU  43  -1.677  -4.028 -12.888
  394    HG   LEU  43           HG       LEU  43  -2.317  -2.099 -15.016
  395   1HD1  LEU  43          1HD1      LEU  43  -0.934  -0.619 -13.453
  396   2HD1  LEU  43          2HD1      LEU  43   0.409  -1.762 -13.766
  397   3HD1  LEU  43          3HD1      LEU  43  -0.298  -0.836 -15.087
  398   1HD2  LEU  43          1HD2      LEU  43   0.033  -3.991 -14.538
  399   2HD2  LEU  43          2HD2      LEU  43  -1.445  -4.388 -15.419
  400   3HD2  LEU  43          3HD2      LEU  43  -0.309  -3.168 -16.059
  401    H    GLU  44           H        GLU  44  -4.751  -2.341 -10.855
  402    HA   GLU  44           HA       GLU  44  -4.942  -5.126  -9.777
  403   1HB   GLU  44          1HB       GLU  44  -5.512  -2.450  -8.434
  404   2HB   GLU  44          2HB       GLU  44  -5.821  -4.042  -7.735
  405   1HG   GLU  44          1HG       GLU  44  -3.315  -4.530  -8.309
  406   2HG   GLU  44          2HG       GLU  44  -3.142  -2.771  -8.336
  407    H    THR  45           H        THR  45  -6.750  -3.093 -11.619
  408    HA   THR  45           HA       THR  45  -9.372  -4.091 -10.603
  409    HB   THR  45           HB       THR  45  -8.520  -1.576 -11.178
  410    HG1  THR  45           HG1      THR  45 -10.354  -1.096 -10.466
  411   1HG2  THR  45          1HG2      THR  45  -8.531  -1.867 -13.626
  412   2HG2  THR  45          2HG2      THR  45 -10.259  -2.266 -13.544
  413   3HG2  THR  45          3HG2      THR  45  -9.675  -0.660 -13.043
  414    H    ILE  46           H        ILE  46  -7.405  -3.836 -13.515
  415    HA   ILE  46           HA       ILE  46  -8.991  -4.881 -15.456
  416    HB   ILE  46           HB       ILE  46  -6.647  -4.038 -15.682
  417   1HG1  ILE  46          1HG1      ILE  46  -5.848  -5.787 -17.394
  418   2HG1  ILE  46          2HG1      ILE  46  -7.342  -6.666 -17.046
  419   1HG2  ILE  46          1HG2      ILE  46  -5.736  -5.366 -13.783
  420   2HG2  ILE  46          2HG2      ILE  46  -5.701  -6.791 -14.837
  421   3HG2  ILE  46          3HG2      ILE  46  -4.737  -5.357 -15.242
  422   1HD1  ILE  46          1HD1      ILE  46  -8.626  -4.564 -17.634
  423   2HD1  ILE  46          2HD1      ILE  46  -7.077  -3.785 -18.007
  424   3HD1  ILE  46          3HD1      ILE  46  -7.630  -5.170 -18.972
  425    H    LEU  47           H        LEU  47  -7.358  -6.766 -12.955
  426    HA   LEU  47           HA       LEU  47  -8.946  -9.180 -13.761
  427   1HB   LEU  47          1HB       LEU  47  -6.433  -9.437 -13.976
  428   2HB   LEU  47          2HB       LEU  47  -6.309  -9.168 -12.242
  429    HG   LEU  47           HG       LEU  47  -8.280 -11.134 -12.356
  430   1HD1  LEU  47          1HD1      LEU  47  -7.955 -11.351 -14.820
  431   2HD1  LEU  47          2HD1      LEU  47  -6.251 -11.774 -14.541
  432   3HD1  LEU  47          3HD1      LEU  47  -7.541 -12.839 -13.944
  433   1HD2  LEU  47          1HD2      LEU  47  -5.272 -11.556 -12.184
  434   2HD2  LEU  47          2HD2      LEU  47  -6.362 -11.139 -10.840
  435   3HD2  LEU  47          3HD2      LEU  47  -6.524 -12.704 -11.658
  436    H    GLY  48           H        GLY  48  -7.241  -7.768 -10.920
  437   1HA   GLY  48          1HA       GLY  48  -7.844  -7.468  -8.763
  438   2HA   GLY  48          2HA       GLY  48  -9.533  -7.361  -9.294
  439   1HN   NH2  49          1HN       NH2  49 -10.640  -9.545  -9.692
  440   2HN   NH2  49          2HN       NH2  49 -10.175 -10.899  -8.628
  441   1H    ACE   0          H1        ACE   0  20.148  10.372  -2.270
  442   2H    ACE   0          H2        ACE   0  19.950  10.330  -0.504
  443   3H    ACE   0          H3        ACE   0  21.240   9.381  -1.280
  444    H    ASP   1           H        ASP   1  19.764   7.954   0.347
  445    HA   ASP   1           HA       ASP   1  18.944   5.770  -1.057
  446   1HB   ASP   1          1HB       ASP   1  19.355   5.678   1.335
  447   2HB   ASP   1          2HB       ASP   1  17.930   6.686   1.663
  448    H    TYR   2           H        TYR   2  16.652   8.217   0.262
  449    HA   TYR   2           HA       TYR   2  14.260   7.203  -0.669
  450   1HB   TYR   2          1HB       TYR   2  15.027  10.118  -0.609
  451   2HB   TYR   2          2HB       TYR   2  13.445   9.387  -0.365
  452    HD1  TYR   2           HD1      TYR   2  15.353  11.284   1.418
  453    HD2  TYR   2           HD2      TYR   2  14.059   7.174   1.596
  454    HE1  TYR   2           HE1      TYR   2  16.090  11.152   3.781
  455    HE2  TYR   2           HE2      TYR   2  14.862   7.026   3.930
  456    HH   TYR   2           HH       TYR   2  16.204   9.842   5.663
  457    H    LEU   3           H        LEU   3  16.543   9.260  -2.509
  458    HA   LEU   3           HA       LEU   3  14.801   9.295  -4.802
  459   1HB   LEU   3          1HB       LEU   3  17.813   9.786  -4.688
  460   2HB   LEU   3          2HB       LEU   3  16.721  10.285  -5.984
  461    HG   LEU   3           HG       LEU   3  16.662  11.346  -3.111
  462   1HD1  LEU   3          1HD1      LEU   3  18.672  12.027  -4.365
  463   2HD1  LEU   3          2HD1      LEU   3  17.645  12.665  -5.669
  464   3HD1  LEU   3          3HD1      LEU   3  17.585  13.390  -4.048
  465   1HD2  LEU   3          1HD2      LEU   3  15.112  12.205  -5.597
  466   2HD2  LEU   3          2HD2      LEU   3  14.426  11.485  -4.120
  467   3HD2  LEU   3          3HD2      LEU   3  15.158  13.093  -4.062
  468    H    ARG   4           H        ARG   4  17.671   7.423  -3.868
  469    HA   ARG   4           HA       ARG   4  17.726   5.760  -6.211
  470   1HB   ARG   4          1HB       ARG   4  18.692   5.219  -3.397
  471   2HB   ARG   4          2HB       ARG   4  19.128   4.273  -4.809
  472   1HG   ARG   4          1HG       ARG   4  19.738   7.243  -4.928
  473   2HG   ARG   4          2HG       ARG   4  20.626   6.263  -3.770
  474   1HD   ARG   4          1HD       ARG   4  22.011   6.182  -5.595
  475   2HD   ARG   4          2HD       ARG   4  21.140   4.646  -5.721
  476    HE   ARG   4           HE       ARG   4  19.862   6.789  -7.213
  477   1HH1  ARG   4          1HH2      ARG   4  22.512   4.463  -7.307
  478   2HH1  ARG   4          2HH2      ARG   4  22.849   4.675  -9.002
  479   1HH2  ARG   4          1HH1      ARG   4  20.333   7.146  -9.432
  480   2HH2  ARG   4          2HH1      ARG   4  21.577   6.235 -10.237
  481    H    GLU   5           H        GLU   5  15.321   5.926  -3.816
  482    HA   GLU   5           HA       GLU   5  14.501   3.060  -4.209
  483   1HB   GLU   5          1HB       GLU   5  13.888   5.176  -2.130
  484   2HB   GLU   5          2HB       GLU   5  12.748   3.857  -2.440
  485   1HG   GLU   5          1HG       GLU   5  14.433   2.200  -1.884
  486   2HG   GLU   5          2HG       GLU   5  15.661   3.460  -1.653
  487    H    LEU   6           H        LEU   6  12.907   6.233  -3.818
  488    HA   LEU   6           HA       LEU   6  10.564   5.327  -5.175
  489   1HB   LEU   6          1HB       LEU   6  11.477   8.091  -4.323
  490   2HB   LEU   6          2HB       LEU   6   9.915   7.740  -5.066
  491    HG   LEU   6           HG       LEU   6   9.403   6.212  -2.997
  492   1HD1  LEU   6          1HD1      LEU   6  11.864   6.134  -2.232
  493   2HD1  LEU   6          2HD1      LEU   6  11.608   7.802  -1.677
  494   3HD1  LEU   6          3HD1      LEU   6  10.617   6.435  -1.096
  495   1HD2  LEU   6          1HD2      LEU   6   9.878   9.212  -2.728
  496   2HD2  LEU   6          2HD2      LEU   6   8.451   8.437  -3.437
  497   3HD2  LEU   6          3HD2      LEU   6   8.805   8.228  -1.724
  498    H    LEU   7           H        LEU   7  13.556   6.440  -6.516
  499    HA   LEU   7           HA       LEU   7  12.261   7.345  -8.961
  500   1HB   LEU   7          1HB       LEU   7  14.115   8.679  -7.807
  501   2HB   LEU   7          2HB       LEU   7  15.229   7.434  -8.402
  502    HG   LEU   7           HG       LEU   7  13.421   9.174 -10.125
  503   1HD1  LEU   7          1HD1      LEU   7  15.245  10.399  -8.968
  504   2HD1  LEU   7          2HD1      LEU   7  16.429   9.245  -9.621
  505   3HD1  LEU   7          3HD1      LEU   7  15.507  10.294 -10.713
  506   1HD2  LEU   7          1HD2      LEU   7  15.543   7.113 -10.879
  507   2HD2  LEU   7          2HD2      LEU   7  13.834   7.156 -11.381
  508   3HD2  LEU   7          3HD2      LEU   7  14.947   8.372 -11.982
  509    H    LYS   8           H        LYS   8  14.807   5.158  -7.688
  510    HA   LYS   8           HA       LYS   8  15.350   4.004 -10.160
  511   1HB   LYS   8          1HB       LYS   8  16.781   4.050  -8.055
  512   2HB   LYS   8          2HB       LYS   8  15.799   2.696  -7.447
  513   1HG   LYS   8          1HG       LYS   8  16.544   1.279  -9.295
  514   2HG   LYS   8          2HG       LYS   8  17.381   2.647 -10.042
  515   1HD   LYS   8          1HD       LYS   8  19.237   2.108  -8.890
  516   2HD   LYS   8          2HD       LYS   8  18.407   2.586  -7.403
  517   1HE   LYS   8          1HE       LYS   8  17.543   0.275  -7.126
  518   2HE   LYS   8          2HE       LYS   8  18.387  -0.219  -8.612
  519   1HZ   LYS   8          1HZ       LYS   8  20.447   0.400  -7.557
  520   2HZ   LYS   8          2HZ       LYS   8  19.650   0.820  -6.175
  521   3HZ   LYS   8          3HZ       LYS   8  19.654  -0.747  -6.680
  522    H    LEU   9           H        LEU   9  13.240   3.005  -7.491
  523    HA   LEU   9           HA       LEU   9  12.470   0.464  -8.695
  524   1HB   LEU   9          1HB       LEU   9  11.239   2.192  -6.520
  525   2HB   LEU   9          2HB       LEU   9  10.495   0.726  -7.125
  526    HG   LEU   9           HG       LEU   9  13.359   0.533  -6.238
  527   1HD1  LEU   9          1HD1      LEU   9  12.287   1.711  -4.371
  528   2HD1  LEU   9          2HD1      LEU   9  10.958   0.533  -4.355
  529   3HD1  LEU   9          3HD1      LEU   9  12.609   0.027  -3.930
  530   1HD2  LEU   9          1HD2      LEU   9  10.958  -1.356  -6.021
  531   2HD2  LEU   9          2HD2      LEU   9  12.150  -1.400  -7.332
  532   3HD2  LEU   9          3HD2      LEU   9  12.649  -1.758  -5.669
  533    H    GLU  10           H        GLU  10  11.245   3.824  -8.803
  534    HA   GLU  10           HA       GLU  10   8.836   3.270 -10.260
  535   1HB   GLU  10          1HB       GLU  10  10.612   5.652  -9.728
  536   2HB   GLU  10          2HB       GLU  10   9.627   5.684 -11.151
  537   1HG   GLU  10          1HG       GLU  10   8.651   5.412  -8.319
  538   2HG   GLU  10          2HG       GLU  10   8.531   6.837  -9.350
  539    H    LEU  11           H        LEU  11  12.150   4.079 -11.307
  540    HA   LEU  11           HA       LEU  11  11.644   4.168 -14.061
  541   1HB   LEU  11          1HB       LEU  11  13.693   4.835 -12.600
  542   2HB   LEU  11          2HB       LEU  11  14.282   3.200 -12.870
  543    HG   LEU  11           HG       LEU  11  13.418   4.917 -15.229
  544   1HD1  LEU  11          1HD1      LEU  11  14.760   6.439 -13.878
  545   2HD1  LEU  11          2HD1      LEU  11  16.048   5.224 -13.728
  546   3HD1  LEU  11          3HD1      LEU  11  15.668   5.940 -15.311
  547   1HD2  LEU  11          1HD2      LEU  11  15.713   2.935 -14.850
  548   2HD2  LEU  11          2HD2      LEU  11  14.156   2.562 -15.624
  549   3HD2  LEU  11          3HD2      LEU  11  15.253   3.740 -16.365
  550    H    GLN  12           H        GLN  12  12.480   1.456 -11.898
  551    HA   GLN  12           HA       GLN  12  12.622  -0.576 -13.810
  552   1HB   GLN  12          1HB       GLN  12  12.916  -0.527 -11.109
  553   2HB   GLN  12          2HB       GLN  12  11.263  -1.169 -11.196
  554   1HG   GLN  12          1HG       GLN  12  12.261  -2.788 -12.988
  555   2HG   GLN  12          2HG       GLN  12  13.831  -2.334 -12.318
  556   1HE2  GLN  12          2HE2      GLN  12  13.103  -2.112  -9.542
  557   2HE2  GLN  12          1HE2      GLN  12  12.664  -3.725  -8.994
  558    H    LEU  13           H        LEU  13   9.710   0.986 -12.430
  559    HA   LEU  13           HA       LEU  13   7.834  -0.987 -13.387
  560   1HB   LEU  13          1HB       LEU  13   7.298   1.957 -12.796
  561   2HB   LEU  13          2HB       LEU  13   6.142   0.674 -13.081
  562    HG   LEU  13           HG       LEU  13   7.930   1.044 -10.682
  563   1HD1  LEU  13          1HD1      LEU  13   5.892   2.410 -10.757
  564   2HD1  LEU  13          2HD1      LEU  13   4.911   0.988 -11.157
  565   3HD1  LEU  13          3HD1      LEU  13   5.646   1.126  -9.566
  566   1HD2  LEU  13          1HD2      LEU  13   6.140  -1.349 -11.316
  567   2HD2  LEU  13          2HD2      LEU  13   7.902  -1.367 -11.041
  568   3HD2  LEU  13          3HD2      LEU  13   6.802  -0.947  -9.720
  569    H    ILE  14           H        ILE  14   8.916   2.264 -14.530
  570    HA   ILE  14           HA       ILE  14   7.309   2.205 -16.911
  571    HB   ILE  14           HB       ILE  14   9.652   3.809 -15.925
  572   1HG1  ILE  14          1HG1      ILE  14   8.067   5.621 -16.109
  573   2HG1  ILE  14          2HG1      ILE  14   6.950   4.644 -17.059
  574   1HG2  ILE  14          1HG2      ILE  14  10.261   3.600 -18.276
  575   2HG2  ILE  14          2HG2      ILE  14   8.596   3.976 -18.776
  576   3HG2  ILE  14          3HG2      ILE  14   9.590   5.203 -17.974
  577   1HD1  ILE  14          1HD1      ILE  14   6.313   3.324 -15.150
  578   2HD1  ILE  14          2HD1      ILE  14   7.645   3.977 -14.174
  579   3HD1  ILE  14          3HD1      ILE  14   6.289   5.004 -14.650
  580    H    LYS  15           H        LYS  15  10.603   1.030 -16.291
  581    HA   LYS  15           HA       LYS  15  11.088   0.078 -18.953
  582   1HB   LYS  15          1HB       LYS  15  12.861   0.370 -17.424
  583   2HB   LYS  15          2HB       LYS  15  12.121  -0.644 -16.194
  584   1HG   LYS  15          1HG       LYS  15  12.740  -1.949 -18.838
  585   2HG   LYS  15          2HG       LYS  15  14.105  -1.469 -17.812
  586   1HD   LYS  15          1HD       LYS  15  13.141  -2.669 -15.882
  587   2HD   LYS  15          2HD       LYS  15  11.778  -3.206 -16.866
  588   1HE   LYS  15          1HE       LYS  15  13.254  -4.475 -18.344
  589   2HE   LYS  15          2HE       LYS  15  14.695  -3.861 -17.502
  590   1HZ   LYS  15          1HZ       LYS  15  13.993  -4.986 -15.550
  591   2HZ   LYS  15          2HZ       LYS  15  12.589  -5.475 -16.246
  592   3HZ   LYS  15          3HZ       LYS  15  14.030  -6.068 -16.794
  593    H    GLN  16           H        GLN  16   9.546  -1.450 -16.047
  594    HA   GLN  16           HA       GLN  16   9.152  -3.964 -17.366
  595   1HB   GLN  16          1HB       GLN  16   8.412  -2.812 -14.763
  596   2HB   GLN  16          2HB       GLN  16   7.039  -3.601 -15.493
  597   1HG   GLN  16          1HG       GLN  16   7.974  -5.331 -14.347
  598   2HG   GLN  16          2HG       GLN  16   8.617  -5.607 -15.965
  599   1HE2  GLN  16          2HE2      GLN  16   9.318  -4.317 -12.726
  600   2HE2  GLN  16          1HE2      GLN  16  11.034  -4.658 -12.768
  601    H    TYR  17           H        TYR  17   7.265  -1.025 -17.267
  602    HA   TYR  17           HA       TYR  17   4.778  -1.958 -18.374
  603   1HB   TYR  17          1HB       TYR  17   6.143   0.673 -17.911
  604   2HB   TYR  17          2HB       TYR  17   4.818   0.575 -19.019
  605    HD1  TYR  17           HD1      TYR  17   2.630  -0.535 -18.304
  606    HD2  TYR  17           HD2      TYR  17   5.489   1.293 -15.676
  607    HE1  TYR  17           HE1      TYR  17   0.799   0.210 -16.828
  608    HE2  TYR  17           HE2      TYR  17   3.672   1.930 -14.133
  609    HH   TYR  17           HH       TYR  17   1.245   1.280 -13.621
  610    H    ARG  18           H        ARG  18   7.883  -1.041 -19.732
  611    HA   ARG  18           HA       ARG  18   6.812  -0.843 -22.468
  612   1HB   ARG  18          1HB       ARG  18   9.642  -0.839 -21.354
  613   2HB   ARG  18          2HB       ARG  18   9.282  -0.948 -23.085
  614   1HG   ARG  18          1HG       ARG  18   7.997   1.126 -23.013
  615   2HG   ARG  18          2HG       ARG  18   8.286   1.296 -21.276
  616   1HD   ARG  18          1HD       ARG  18  10.518   1.843 -21.529
  617   2HD   ARG  18          2HD       ARG  18  10.707   1.013 -23.069
  618    HE   ARG  18           HE       ARG  18   9.842   3.752 -22.619
  619   1HH1  ARG  18          1HH2      ARG  18   9.601   1.025 -24.830
  620   2HH1  ARG  18          2HH2      ARG  18   9.349   1.988 -26.259
  621   1HH2  ARG  18          1HH1      ARG  18   9.452   5.055 -24.453
  622   2HH2  ARG  18          2HH1      ARG  18   9.235   4.347 -26.028
  623    H    GLU  19           H        GLU  19   8.519  -3.154 -20.462
  624    HA   GLU  19           HA       GLU  19   8.639  -5.241 -22.408
  625   1HB   GLU  19          1HB       GLU  19   9.722  -5.092 -19.997
  626   2HB   GLU  19          2HB       GLU  19   8.214  -5.877 -19.496
  627   1HG   GLU  19          1HG       GLU  19   8.671  -7.598 -21.352
  628   2HG   GLU  19          2HG       GLU  19  10.275  -6.873 -21.511
  629    H    ALA  20           H        ALA  20   6.107  -4.427 -19.950
  630    HA   ALA  20           HA       ALA  20   4.467  -6.670 -20.815
  631   1HB   ALA  20          1HB       ALA  20   3.051  -6.113 -19.030
  632   2HB   ALA  20          2HB       ALA  20   4.645  -5.595 -18.516
  633   3HB   ALA  20          3HB       ALA  20   3.488  -4.394 -19.131
  634    H    LEU  21           H        LEU  21   4.849  -3.419 -22.022
  635    HA   LEU  21           HA       LEU  21   2.409  -2.908 -23.155
  636   1HB   LEU  21          1HB       LEU  21   4.467  -1.457 -23.251
  637   2HB   LEU  21          2HB       LEU  21   5.078  -2.498 -24.543
  638    HG   LEU  21           HG       LEU  21   3.153  -1.852 -25.976
  639   1HD1  LEU  21          1HD1      LEU  21   1.421  -1.314 -24.307
  640   2HD1  LEU  21          2HD1      LEU  21   2.458  -0.041 -23.625
  641   3HD1  LEU  21          3HD1      LEU  21   1.767   0.129 -25.253
  642   1HD2  LEU  21          1HD2      LEU  21   4.739   0.455 -24.768
  643   2HD2  LEU  21          2HD2      LEU  21   5.265  -0.607 -26.086
  644   3HD2  LEU  21          3HD2      LEU  21   3.896   0.492 -26.332
  645    H    GLU  22           H        GLU  22   4.762  -5.313 -24.316
  646    HA   GLU  22           HA       GLU  22   3.287  -5.742 -26.817
  647   1HB   GLU  22          1HB       GLU  22   4.896  -7.700 -27.043
  648   2HB   GLU  22          2HB       GLU  22   5.540  -6.062 -27.207
  649   1HG   GLU  22          1HG       GLU  22   6.493  -6.091 -25.018
  650   2HG   GLU  22          2HG       GLU  22   5.681  -7.624 -24.609
  651    H    TYR  23           H        TYR  23   3.806  -7.396 -23.721
  652    HA   TYR  23           HA       TYR  23   2.349  -9.722 -24.392
  653   1HB   TYR  23          1HB       TYR  23   3.022  -8.366 -21.745
  654   2HB   TYR  23          2HB       TYR  23   2.411  -9.989 -21.901
  655    HD1  TYR  23           HD1      TYR  23   3.948 -11.222 -24.085
  656    HD2  TYR  23           HD2      TYR  23   5.227  -8.658 -20.860
  657    HE1  TYR  23           HE1      TYR  23   6.241 -12.115 -24.262
  658    HE2  TYR  23           HE2      TYR  23   7.485  -9.587 -21.017
  659    HH   TYR  23           HH       TYR  23   8.892 -10.999 -22.141
  660    H    VAL  24           H        VAL  24   1.348  -6.621 -23.019
  661    HA   VAL  24           HA       VAL  24  -1.440  -7.674 -22.697
  662    HB   VAL  24           HB       VAL  24  -0.112  -5.206 -21.565
  663   1HG1  VAL  24          1HG1      VAL  24  -2.507  -4.750 -21.885
  664   2HG1  VAL  24          2HG1      VAL  24  -2.936  -6.347 -21.243
  665   3HG1  VAL  24          3HG1      VAL  24  -2.250  -5.114 -20.175
  666   1HG2  VAL  24          1HG2      VAL  24  -1.021  -7.801 -20.256
  667   2HG2  VAL  24          2HG2      VAL  24   0.666  -7.305 -20.512
  668   3HG2  VAL  24          3HG2      VAL  24  -0.366  -6.383 -19.413
  669    H    LYS  25           H        LYS  25   0.467  -5.384 -24.636
  670    HA   LYS  25           HA       LYS  25  -0.032  -4.218 -26.441
  671   1HB   LYS  25          1HB       LYS  25  -0.670  -6.845 -26.796
  672   2HB   LYS  25          2HB       LYS  25  -2.179  -6.085 -27.303
  673   1HG   LYS  25          1HG       LYS  25  -0.672  -4.477 -28.660
  674   2HG   LYS  25          2HG       LYS  25   0.664  -5.589 -28.287
  675   1HD   LYS  25          1HD       LYS  25  -0.583  -7.451 -29.356
  676   2HD   LYS  25          2HD       LYS  25  -1.928  -6.345 -29.720
  677   1HE   LYS  25          1HE       LYS  25  -0.354  -4.921 -31.072
  678   2HE   LYS  25          2HE       LYS  25   0.942  -6.093 -30.758
  679   1HZ   LYS  25          1HZ       LYS  25  -0.371  -7.742 -31.881
  680   2HZ   LYS  25          2HZ       LYS  25  -1.575  -6.650 -32.164
  681   3HZ   LYS  25          3HZ       LYS  25  -0.098  -6.449 -32.868
  682    H    LEU  26           H        LEU  26  -0.861  -2.539 -24.893
  683    HA   LEU  26           HA       LEU  26  -3.516  -1.709 -25.871
  684   1HB   LEU  26          1HB       LEU  26  -3.166  -2.956 -23.409
  685   2HB   LEU  26          2HB       LEU  26  -3.082  -1.273 -22.942
  686    HG   LEU  26           HG       LEU  26  -5.357  -1.978 -24.786
  687   1HD1  LEU  26          1HD1      LEU  26  -5.294  -4.026 -23.513
  688   2HD1  LEU  26          2HD1      LEU  26  -5.152  -3.136 -21.988
  689   3HD1  LEU  26          3HD1      LEU  26  -6.649  -3.033 -22.945
  690   1HD2  LEU  26          1HD2      LEU  26  -5.261  -0.588 -22.082
  691   2HD2  LEU  26          2HD2      LEU  26  -5.055   0.238 -23.646
  692   3HD2  LEU  26          3HD2      LEU  26  -6.595  -0.550 -23.252
  693    HA   PRO  27           HA       PRO  27  -1.125   2.041 -26.151
  694   1HB   PRO  27          1HB       PRO  27  -3.081   3.914 -26.585
  695   2HB   PRO  27          2HB       PRO  27  -2.524   2.755 -27.823
  696   1HG   PRO  27          1HG       PRO  27  -4.955   2.513 -26.038
  697   2HG   PRO  27          2HG       PRO  27  -4.857   2.246 -27.801
  698   1HD   PRO  27          1HD       PRO  27  -4.762   0.174 -26.045
  699   2HD   PRO  27          2HD       PRO  27  -3.743   0.162 -27.513
  700    H    VAL  28           H        VAL  28  -4.055   1.940 -24.027
  701    HA   VAL  28           HA       VAL  28  -3.481   4.066 -22.344
  702    HB   VAL  28           HB       VAL  28  -4.539   1.424 -21.443
  703   1HG1  VAL  28          1HG1      VAL  28  -3.952   2.840 -19.554
  704   2HG1  VAL  28          2HG1      VAL  28  -4.842   4.212 -20.243
  705   3HG1  VAL  28          3HG1      VAL  28  -5.703   2.776 -19.662
  706   1HG2  VAL  28          1HG2      VAL  28  -6.263   3.800 -22.244
  707   2HG2  VAL  28          2HG2      VAL  28  -6.104   2.297 -23.200
  708   3HG2  VAL  28          3HG2      VAL  28  -6.819   2.262 -21.591
  709    H    LEU  29           H        LEU  29  -2.008   0.767 -22.290
  710    HA   LEU  29           HA       LEU  29  -0.613   1.005 -19.868
  711   1HB   LEU  29          1HB       LEU  29  -0.780  -0.806 -22.128
  712   2HB   LEU  29          2HB       LEU  29   0.912  -0.424 -21.973
  713    HG   LEU  29           HG       LEU  29  -0.158  -0.981 -19.353
  714   1HD1  LEU  29          1HD1      LEU  29  -1.931  -2.209 -20.482
  715   2HD1  LEU  29          2HD1      LEU  29  -0.737  -3.043 -21.498
  716   3HD1  LEU  29          3HD1      LEU  29  -0.783  -3.349 -19.743
  717   1HD2  LEU  29          1HD2      LEU  29   1.651  -2.748 -21.056
  718   2HD2  LEU  29          2HD2      LEU  29   2.252  -1.263 -20.312
  719   3HD2  LEU  29          3HD2      LEU  29   1.639  -2.589 -19.295
  720    H    ALA  30           H        ALA  30   0.783   1.437 -23.118
  721    HA   ALA  30           HA       ALA  30   3.053   2.676 -22.177
  722   1HB   ALA  30          1HB       ALA  30   3.010   2.054 -24.512
  723   2HB   ALA  30          2HB       ALA  30   1.621   3.117 -24.844
  724   3HB   ALA  30          3HB       ALA  30   3.217   3.806 -24.490
  725    H    LYS  31           H        LYS  31  -0.161   4.116 -22.594
  726    HA   LYS  31           HA       LYS  31   0.902   6.821 -22.414
  727   1HB   LYS  31          1HB       LYS  31  -1.321   5.910 -23.545
  728   2HB   LYS  31          2HB       LYS  31  -2.018   6.292 -21.962
  729   1HG   LYS  31          1HG       LYS  31  -1.324   8.630 -22.199
  730   2HG   LYS  31          2HG       LYS  31  -0.311   8.239 -23.600
  731   1HD   LYS  31          1HD       LYS  31  -2.302   7.547 -24.894
  732   2HD   LYS  31          2HD       LYS  31  -3.349   8.029 -23.541
  733   1HE   LYS  31          1HE       LYS  31  -2.586  10.363 -23.750
  734   2HE   LYS  31          2HE       LYS  31  -1.395   9.903 -24.978
  735   1HZ   LYS  31          1HZ       LYS  31  -3.169   9.267 -26.415
  736   2HZ   LYS  31          2HZ       LYS  31  -4.303   9.662 -25.285
  737   3HZ   LYS  31          3HZ       LYS  31  -3.352  10.835 -25.947
  738    H    ILE  32           H        ILE  32  -0.172   4.371 -20.133
  739    HA   ILE  32           HA       ILE  32  -0.473   6.195 -17.886
  740    HB   ILE  32           HB       ILE  32  -0.197   3.176 -18.237
  741   1HG1  ILE  32          1HG1      ILE  32  -2.343   4.829 -16.856
  742   2HG1  ILE  32          2HG1      ILE  32  -2.416   4.446 -18.570
  743   1HG2  ILE  32          1HG2      ILE  32   1.122   3.641 -16.270
  744   2HG2  ILE  32          2HG2      ILE  32  -0.047   4.846 -15.714
  745   3HG2  ILE  32          3HG2      ILE  32  -0.452   3.109 -15.713
  746   1HD1  ILE  32          1HD1      ILE  32  -2.367   2.010 -18.031
  747   2HD1  ILE  32          2HD1      ILE  32  -2.387   2.391 -16.298
  748   3HD1  ILE  32          3HD1      ILE  32  -3.757   2.846 -17.299
  749    H    LEU  33           H        LEU  33   1.977   3.846 -19.125
  750    HA   LEU  33           HA       LEU  33   3.839   4.264 -17.070
  751   1HB   LEU  33          1HB       LEU  33   5.329   3.039 -18.280
  752   2HB   LEU  33          2HB       LEU  33   3.738   2.529 -18.869
  753    HG   LEU  33           HG       LEU  33   4.072   3.955 -20.822
  754   1HD1  LEU  33          1HD1      LEU  33   5.719   5.422 -20.956
  755   2HD1  LEU  33          2HD1      LEU  33   6.473   4.795 -19.464
  756   3HD1  LEU  33          3HD1      LEU  33   6.862   4.080 -21.041
  757   1HD2  LEU  33          1HD2      LEU  33   6.124   1.792 -20.354
  758   2HD2  LEU  33          2HD2      LEU  33   4.433   1.543 -20.872
  759   3HD2  LEU  33          3HD2      LEU  33   5.570   2.361 -21.951
  760    H    GLU  34           H        GLU  34   3.326   6.063 -20.155
  761    HA   GLU  34           HA       GLU  34   5.493   7.814 -20.024
  762   1HB   GLU  34          1HB       GLU  34   3.841   7.458 -21.942
  763   2HB   GLU  34          2HB       GLU  34   2.714   8.499 -21.093
  764   1HG   GLU  34          1HG       GLU  34   4.388  10.350 -21.146
  765   2HG   GLU  34          2HG       GLU  34   5.509   9.290 -22.016
  766    H    ASP  35           H        ASP  35   2.131   8.368 -18.951
  767    HA   ASP  35           HA       ASP  35   2.518  10.954 -17.833
  768   1HB   ASP  35          1HB       ASP  35   0.273   9.996 -18.101
  769   2HB   ASP  35          2HB       ASP  35   0.641   8.763 -16.879
  770    H    GLU  36           H        GLU  36   2.782   7.738 -16.280
  771    HA   GLU  36           HA       GLU  36   3.486   8.595 -13.697
  772   1HB   GLU  36          1HB       GLU  36   4.518   6.167 -15.191
  773   2HB   GLU  36          2HB       GLU  36   4.563   6.386 -13.435
  774   1HG   GLU  36          1HG       GLU  36   1.987   6.189 -15.065
  775   2HG   GLU  36          2HG       GLU  36   2.786   4.825 -14.297
  776    H    GLU  37           H        GLU  37   5.558   8.125 -16.645
  777    HA   GLU  37           HA       GLU  37   8.027   8.384 -15.513
  778   1HB   GLU  37          1HB       GLU  37   6.984   7.982 -18.001
  779   2HB   GLU  37          2HB       GLU  37   7.478   9.651 -18.211
  780   1HG   GLU  37          1HG       GLU  37   9.257   7.421 -17.119
  781   2HG   GLU  37          2HG       GLU  37   9.000   7.750 -18.832
  782    H    LYS  38           H        LYS  38   5.718  11.001 -16.192
  783    HA   LYS  38           HA       LYS  38   7.631  13.130 -15.825
  784   1HB   LYS  38          1HB       LYS  38   5.237  13.173 -16.845
  785   2HB   LYS  38          2HB       LYS  38   4.670  13.224 -15.178
  786   1HG   LYS  38          1HG       LYS  38   6.629  15.224 -15.152
  787   2HG   LYS  38          2HG       LYS  38   6.131  15.267 -16.837
  788   1HD   LYS  38          1HD       LYS  38   4.815  16.882 -15.710
  789   2HD   LYS  38          2HD       LYS  38   3.715  15.519 -16.001
  790   1HE   LYS  38          1HE       LYS  38   3.968  14.776 -13.658
  791   2HE   LYS  38          2HE       LYS  38   5.251  15.967 -13.382
  792   1HZ   LYS  38          1HZ       LYS  38   3.653  17.695 -13.741
  793   2HZ   LYS  38          2HZ       LYS  38   2.452  16.593 -13.995
  794   3HZ   LYS  38          3HZ       LYS  38   3.173  16.702 -12.517
  795    H    HIS  39           H        HIS  39   5.534  11.292 -13.585
  796    HA   HIS  39           HA       HIS  39   6.143  12.938 -11.279
  797   1HB   HIS  39          1HB       HIS  39   5.068  10.114 -11.597
  798   2HB   HIS  39          2HB       HIS  39   5.372  10.861 -10.043
  799    HD1  HIS  39           HD1      HIS  39   4.141  13.511  -9.955
  800    HD2  HIS  39           HD2      HIS  39   2.560  10.473 -12.414
  801    HE1  HIS  39           HE1      HIS  39   1.679  14.125 -10.398
  802    HE2  HIS  39           HE2      HIS  39   0.745  12.280 -11.908
  803    H    ILE  40           H        ILE  40   7.658  10.117 -12.812
  804    HA   ILE  40           HA       ILE  40   9.592   9.691 -10.718
  805    HB   ILE  40           HB       ILE  40  10.027   9.015 -13.643
  806   1HG1  ILE  40          1HG1      ILE  40   8.537   7.376 -11.553
  807   2HG1  ILE  40          2HG1      ILE  40   7.796   8.174 -12.886
  808   1HG2  ILE  40          1HG2      ILE  40  11.973   8.744 -12.076
  809   2HG2  ILE  40          2HG2      ILE  40  10.965   7.764 -10.998
  810   3HG2  ILE  40          3HG2      ILE  40  11.395   7.165 -12.605
  811   1HD1  ILE  40          1HD1      ILE  40   9.293   6.961 -14.517
  812   2HD1  ILE  40          2HD1      ILE  40   9.693   5.848 -13.227
  813   3HD1  ILE  40          3HD1      ILE  40   8.000   6.083 -13.681
  814    H    GLU  41           H        GLU  41   9.619  11.501 -13.785
  815    HA   GLU  41           HA       GLU  41  12.184  12.540 -13.755
  816   1HB   GLU  41          1HB       GLU  41  10.353  12.779 -15.563
  817   2HB   GLU  41          2HB       GLU  41   9.708  14.111 -14.586
  818   1HG   GLU  41          1HG       GLU  41  12.061  15.154 -14.746
  819   2HG   GLU  41          2HG       GLU  41  12.385  13.927 -15.983
  820    H    TRP  42           H        TRP  42   9.277  13.713 -11.957
  821    HA   TRP  42           HA       TRP  42  10.358  16.060 -10.947
  822   1HB   TRP  42          1HB       TRP  42   8.013  14.890 -10.745
  823   2HB   TRP  42          2HB       TRP  42   8.664  14.225  -9.258
  824    HD1  TRP  42           HD1      TRP  42   7.720  17.556 -10.854
  825    HE1  TRP  42           HE1      TRP  42   7.521  19.384  -9.045
  826    HE3  TRP  42           HE3      TRP  42   9.489  14.847  -7.013
  827    HZ2  TRP  42           HZ2      TRP  42   8.060  19.533  -6.115
  828    HZ3  TRP  42           HZ3      TRP  42   9.728  15.826  -4.707
  829    HH2  TRP  42           HH2      TRP  42   9.010  18.170  -4.281
  830    H    LEU  43           H        LEU  43  10.863  12.694  -9.862
  831    HA   LEU  43           HA       LEU  43  12.400  13.437  -7.546
  832   1HB   LEU  43          1HB       LEU  43  12.268  10.786  -9.005
  833   2HB   LEU  43          2HB       LEU  43  13.245  11.086  -7.584
  834    HG   LEU  43           HG       LEU  43  10.665  12.024  -6.866
  835   1HD1  LEU  43          1HD1      LEU  43   9.682  10.737  -8.705
  836   2HD1  LEU  43          2HD1      LEU  43  10.558   9.275  -8.206
  837   3HD1  LEU  43          3HD1      LEU  43   9.300   9.960  -7.163
  838   1HD2  LEU  43          1HD2      LEU  43  12.085   9.413  -6.186
  839   2HD2  LEU  43          2HD2      LEU  43  12.338  10.970  -5.365
  840   3HD2  LEU  43          3HD2      LEU  43  10.765  10.163  -5.260
  841    H    GLU  44           H        GLU  44  13.272  13.741 -10.867
  842    HA   GLU  44           HA       GLU  44  16.157  13.750 -10.150
  843   1HB   GLU  44          1HB       GLU  44  14.756  14.131 -12.837
  844   2HB   GLU  44          2HB       GLU  44  16.475  14.414 -12.535
  845   1HG   GLU  44          1HG       GLU  44  16.574  12.017 -11.619
  846   2HG   GLU  44          2HG       GLU  44  14.985  11.781 -12.390
  847    H    THR  45           H        THR  45  13.486  15.730 -10.734
  848    HA   THR  45           HA       THR  45  15.001  18.170 -11.164
  849    HB   THR  45           HB       THR  45  12.450  17.447 -11.745
  850    HG1  THR  45           HG1      THR  45  13.593  20.016 -11.513
  851   1HG2  THR  45          1HG2      THR  45  11.524  17.824  -9.459
  852   2HG2  THR  45          2HG2      THR  45  12.079  19.505  -9.535
  853   3HG2  THR  45          3HG2      THR  45  10.860  18.905 -10.677
  854    H    ILE  46           H        ILE  46  13.248  16.812  -8.478
  855    HA   ILE  46           HA       ILE  46  13.450  18.703  -6.527
  856    HB   ILE  46           HB       ILE  46  12.240  16.531  -6.431
  857   1HG1  ILE  46          1HG1      ILE  46  12.500  16.008  -4.089
  858   2HG1  ILE  46          2HG1      ILE  46  14.073  16.818  -4.006
  859   1HG2  ILE  46          1HG2      ILE  46  14.015  15.179  -7.405
  860   2HG2  ILE  46          2HG2      ILE  46  14.917  15.218  -5.890
  861   3HG2  ILE  46          3HG2      ILE  46  13.315  14.471  -5.940
  862   1HD1  ILE  46          1HD1      ILE  46  11.542  18.267  -4.874
  863   2HD1  ILE  46          2HD1      ILE  46  12.028  18.139  -3.168
  864   3HD1  ILE  46          3HD1      ILE  46  13.074  18.978  -4.328
  865    H    LEU  47           H        LEU  47  16.054  16.457  -7.461
  866    HA   LEU  47           HA       LEU  47  18.244  16.459  -7.092
  867   1HB   LEU  47          1HB       LEU  47  17.484  19.023  -7.713
  868   2HB   LEU  47          2HB       LEU  47  18.441  19.357  -6.299
  869    HG   LEU  47           HG       LEU  47  19.323  17.651  -8.691
  870   1HD1  LEU  47          1HD1      LEU  47  18.779  19.927  -9.405
  871   2HD1  LEU  47          2HD1      LEU  47  19.840  20.600  -8.148
  872   3HD1  LEU  47          3HD1      LEU  47  20.524  19.642  -9.483
  873   1HD2  LEU  47          1HD2      LEU  47  20.982  18.986  -6.497
  874   2HD2  LEU  47          2HD2      LEU  47  20.670  17.238  -6.639
  875   3HD2  LEU  47          3HD2      LEU  47  21.614  18.073  -7.882
  876    H    GLY  48           H        GLY  48  19.448  18.487  -4.915
  877   1HA   GLY  48          1HA       GLY  48  19.790  18.480  -2.633
  878   2HA   GLY  48          2HA       GLY  48  18.525  17.265  -2.412
  879   1HN   NH2  49          1HN       NH2  49  19.168  15.030  -3.620
  880   2HN   NH2  49          2HN       NH2  49  20.816  14.467  -3.232
  Start of MODEL    5
    1   1H    ACE   0          H1        ACE   0   4.382  16.147   1.498
    2   2H    ACE   0          H2        ACE   0   5.386  17.578   1.311
    3   3H    ACE   0          H3        ACE   0   4.826  16.706  -0.109
    4    H    ASP   1           H        ASP   1   5.538  14.182   1.920
    5    HA   ASP   1           HA       ASP   1   8.355  14.145   1.086
    6   1HB   ASP   1          1HB       ASP   1   8.451  13.134   3.449
    7   2HB   ASP   1          2HB       ASP   1   8.356  14.901   3.249
    8    H    TYR   2           H        TYR   2   6.493  11.785   3.041
    9    HA   TYR   2           HA       TYR   2   7.917   9.679   1.885
   10   1HB   TYR   2          1HB       TYR   2   6.549   8.334   3.304
   11   2HB   TYR   2          2HB       TYR   2   7.056   9.788   4.118
   12    HD1  TYR   2           HD1      TYR   2   5.477  11.153   5.254
   13    HD2  TYR   2           HD2      TYR   2   4.114   8.153   2.478
   14    HE1  TYR   2           HE1      TYR   2   3.131  11.700   5.803
   15    HE2  TYR   2           HE2      TYR   2   1.782   8.579   3.161
   16    HH   TYR   2           HH       TYR   2   0.363  10.042   4.262
   17    H    LEU   3           H        LEU   3   4.599  10.780   1.515
   18    HA   LEU   3           HA       LEU   3   3.855   8.731  -0.266
   19   1HB   LEU   3          1HB       LEU   3   1.796  10.340  -0.713
   20   2HB   LEU   3          2HB       LEU   3   2.008   9.420   0.774
   21    HG   LEU   3           HG       LEU   3   2.844  11.230   1.968
   22   1HD1  LEU   3          1HD1      LEU   3   4.072  12.619   0.473
   23   2HD1  LEU   3          2HD1      LEU   3   2.680  12.812  -0.616
   24   3HD1  LEU   3          3HD1      LEU   3   2.679  13.586   0.983
   25   1HD2  LEU   3          1HD2      LEU   3   0.398  12.340   0.574
   26   2HD2  LEU   3          2HD2      LEU   3   0.306  10.876   1.573
   27   3HD2  LEU   3          3HD2      LEU   3   0.832  12.405   2.294
   28    H    ARG   4           H        ARG   4   5.624  11.587  -0.934
   29    HA   ARG   4           HA       ARG   4   4.817  12.018  -3.621
   30   1HB   ARG   4          1HB       ARG   4   7.532  12.323  -2.271
   31   2HB   ARG   4          2HB       ARG   4   7.199  12.779  -3.943
   32   1HG   ARG   4          1HG       ARG   4   5.262  14.194  -3.114
   33   2HG   ARG   4          2HG       ARG   4   5.824  13.913  -1.465
   34   1HD   ARG   4          1HD       ARG   4   7.428  15.200  -3.730
   35   2HD   ARG   4          2HD       ARG   4   6.567  16.068  -2.442
   36    HE   ARG   4           HE       ARG   4   8.388  14.198  -1.274
   37   1HH1  ARG   4          1HH2      ARG   4   8.303  17.224  -3.074
   38   2HH1  ARG   4          2HH2      ARG   4   9.721  17.907  -2.333
   39   1HH2  ARG   4          1HH1      ARG   4  10.249  15.089  -0.228
   40   2HH2  ARG   4          2HH1      ARG   4  10.831  16.675  -0.655
   41    H    GLU   5           H        GLU   5   6.798   9.411  -2.163
   42    HA   GLU   5           HA       GLU   5   7.565   8.536  -4.906
   43   1HB   GLU   5          1HB       GLU   5   8.429   7.543  -2.169
   44   2HB   GLU   5          2HB       GLU   5   8.750   6.685  -3.680
   45   1HG   GLU   5          1HG       GLU   5   9.723   8.907  -4.583
   46   2HG   GLU   5          2HG       GLU   5   9.767   9.432  -2.891
   47    H    LEU   6           H        LEU   6   4.858   8.208  -2.992
   48    HA   LEU   6           HA       LEU   6   4.172   5.587  -4.258
   49   1HB   LEU   6          1HB       LEU   6   3.616   6.690  -1.520
   50   2HB   LEU   6          2HB       LEU   6   2.714   5.324  -2.206
   51    HG   LEU   6           HG       LEU   6   5.754   5.244  -1.918
   52   1HD1  LEU   6          1HD1      LEU   6   4.726   5.721   0.206
   53   2HD1  LEU   6          2HD1      LEU   6   3.531   4.446  -0.022
   54   3HD1  LEU   6          3HD1      LEU   6   5.270   4.046   0.128
   55   1HD2  LEU   6          1HD2      LEU   6   3.627   3.271  -2.721
   56   2HD2  LEU   6          2HD2      LEU   6   5.152   3.669  -3.508
   57   3HD2  LEU   6          3HD2      LEU   6   5.165   2.768  -1.999
   58    H    LEU   7           H        LEU   7   3.766   8.648  -4.920
   59    HA   LEU   7           HA       LEU   7   0.986   8.245  -5.631
   60   1HB   LEU   7          1HB       LEU   7   0.105  10.118  -4.762
   61   2HB   LEU   7          2HB       LEU   7   1.324   9.801  -3.552
   62    HG   LEU   7           HG       LEU   7   2.824  11.439  -4.944
   63   1HD1  LEU   7          1HD1      LEU   7   0.730  11.451  -6.765
   64   2HD1  LEU   7          2HD1      LEU   7   0.262  12.797  -5.741
   65   3HD1  LEU   7          3HD1      LEU   7   1.840  12.814  -6.541
   66   1HD2  LEU   7          1HD2      LEU   7   0.430  12.512  -3.423
   67   2HD2  LEU   7          2HD2      LEU   7   1.944  11.923  -2.713
   68   3HD2  LEU   7          3HD2      LEU   7   1.959  13.359  -3.751
   69    H    LYS   8           H        LYS   8   3.988  10.158  -6.069
   70    HA   LYS   8           HA       LYS   8   3.158  11.161  -8.519
   71   1HB   LYS   8          1HB       LYS   8   4.998  11.932  -6.818
   72   2HB   LYS   8          2HB       LYS   8   6.064  10.849  -7.739
   73   1HG   LYS   8          1HG       LYS   8   5.337  12.092  -9.816
   74   2HG   LYS   8          2HG       LYS   8   4.423  13.218  -8.785
   75   1HD   LYS   8          1HD       LYS   8   6.396  14.034  -7.702
   76   2HD   LYS   8          2HD       LYS   8   7.358  12.661  -8.253
   77   1HE   LYS   8          1HE       LYS   8   6.418  13.856 -10.653
   78   2HE   LYS   8          2HE       LYS   8   6.860  15.215  -9.613
   79   1HZ   LYS   8          1HZ       LYS   8   9.009  14.245  -9.351
   80   2HZ   LYS   8          2HZ       LYS   8   8.570  12.890 -10.179
   81   3HZ   LYS   8          3HZ       LYS   8   8.672  14.333 -10.965
   82    H    LEU   9           H        LEU   9   5.413   8.506  -7.692
   83    HA   LEU   9           HA       LEU   9   5.791   7.552 -10.385
   84   1HB   LEU   9          1HB       LEU   9   6.130   6.302  -7.645
   85   2HB   LEU   9          2HB       LEU   9   6.346   5.363  -9.124
   86    HG   LEU   9           HG       LEU   9   7.759   7.965  -9.225
   87   1HD1  LEU   9          1HD1      LEU   9   8.172   7.698  -6.920
   88   2HD1  LEU   9          2HD1      LEU   9   8.482   5.954  -7.071
   89   3HD1  LEU   9          3HD1      LEU   9   9.635   7.131  -7.740
   90   1HD2  LEU   9          1HD2      LEU   9   8.730   5.093  -9.587
   91   2HD2  LEU   9          2HD2      LEU   9   8.021   6.092 -10.874
   92   3HD2  LEU   9          3HD2      LEU   9   9.553   6.570 -10.126
   93    H    GLU  10           H        GLU  10   3.395   6.752  -7.777
   94    HA   GLU  10           HA       GLU  10   2.085   4.738  -9.199
   95   1HB   GLU  10          1HB       GLU  10   1.004   6.826  -7.287
   96   2HB   GLU  10          2HB       GLU  10   0.062   5.533  -7.966
   97   1HG   GLU  10          1HG       GLU  10   2.545   4.982  -6.282
   98   2HG   GLU  10          2HG       GLU  10   0.902   5.121  -5.642
   99    H    LEU  11           H        LEU  11   1.703   8.308  -9.569
  100    HA   LEU  11           HA       LEU  11  -0.587   8.264 -11.185
  101   1HB   LEU  11          1HB       LEU  11   0.560  10.359 -10.363
  102   2HB   LEU  11          2HB       LEU  11   1.853  10.064 -11.530
  103    HG   LEU  11           HG       LEU  11   0.057  10.169 -13.380
  104   1HD1  LEU  11          1HD1      LEU  11  -1.950   9.956 -11.945
  105   2HD1  LEU  11          2HD1      LEU  11  -1.508  11.452 -11.096
  106   3HD1  LEU  11          3HD1      LEU  11  -1.950  11.496 -12.815
  107   1HD2  LEU  11          1HD2      LEU  11   0.658  12.670 -11.773
  108   2HD2  LEU  11          2HD2      LEU  11   1.730  11.918 -12.977
  109   3HD2  LEU  11          3HD2      LEU  11   0.171  12.589 -13.483
  110    H    GLN  12           H        GLN  12   2.837   8.035 -12.311
  111    HA   GLN  12           HA       GLN  12   2.104   7.781 -15.068
  112   1HB   GLN  12          1HB       GLN  12   4.325   6.842 -15.461
  113   2HB   GLN  12          2HB       GLN  12   4.423   8.342 -14.534
  114   1HG   GLN  12          1HG       GLN  12   5.079   7.262 -12.585
  115   2HG   GLN  12          2HG       GLN  12   4.337   5.717 -13.068
  116   1HE2  GLN  12          2HE2      GLN  12   6.201   4.676 -12.310
  117   2HE2  GLN  12          1HE2      GLN  12   7.603   4.575 -13.369
  118    H    LEU  13           H        LEU  13   2.007   5.456 -12.435
  119    HA   LEU  13           HA       LEU  13   2.006   3.123 -14.169
  120   1HB   LEU  13          1HB       LEU  13   1.174   3.348 -11.258
  121   2HB   LEU  13          2HB       LEU  13   1.389   1.893 -12.221
  122    HG   LEU  13           HG       LEU  13   3.499   3.845 -11.274
  123   1HD1  LEU  13          1HD1      LEU  13   2.748   2.064  -9.840
  124   2HD1  LEU  13          2HD1      LEU  13   3.121   0.844 -11.095
  125   3HD1  LEU  13          3HD1      LEU  13   4.423   1.800 -10.372
  126   1HD2  LEU  13          1HD2      LEU  13   3.916   1.676 -13.376
  127   2HD2  LEU  13          2HD2      LEU  13   4.132   3.423 -13.633
  128   3HD2  LEU  13          3HD2      LEU  13   5.190   2.586 -12.518
  129    H    ILE  14           H        ILE  14  -0.468   4.915 -12.241
  130    HA   ILE  14           HA       ILE  14  -2.659   3.391 -13.243
  131    HB   ILE  14           HB       ILE  14  -2.460   6.353 -12.412
  132   1HG1  ILE  14          2HG1      ILE  14  -1.857   5.145 -10.502
  133   2HG1  ILE  14          3HG1      ILE  14  -3.581   5.376 -10.284
  134   1HG2  ILE  14          1HG2      ILE  14  -4.517   5.960 -13.749
  135   2HG2  ILE  14          2HG2      ILE  14  -4.964   4.628 -12.667
  136   3HG2  ILE  14          3HG2      ILE  14  -4.873   6.304 -12.063
  137   1HD1  ILE  14          1HD1      ILE  14  -3.893   3.028 -11.288
  138   2HD1  ILE  14          2HD1      ILE  14  -2.119   2.855 -11.182
  139   3HD1  ILE  14          3HD1      ILE  14  -3.063   3.105  -9.726
  140    H    LYS  15           H        LYS  15  -1.092   6.245 -14.613
  141    HA   LYS  15           HA       LYS  15  -2.708   6.247 -16.952
  142   1HB   LYS  15          1HB       LYS  15  -0.558   7.773 -15.939
  143   2HB   LYS  15          2HB       LYS  15   0.094   7.036 -17.368
  144   1HG   LYS  15          1HG       LYS  15  -0.890   8.916 -18.349
  145   2HG   LYS  15          2HG       LYS  15  -2.331   7.894 -18.357
  146   1HD   LYS  15          1HD       LYS  15  -2.743   8.839 -15.936
  147   2HD   LYS  15          2HD       LYS  15  -1.495  10.021 -16.334
  148   1HE   LYS  15          1HE       LYS  15  -3.353  10.025 -18.538
  149   2HE   LYS  15          2HE       LYS  15  -4.322   9.965 -17.060
  150   1HZ   LYS  15          1HZ       LYS  15  -3.087  11.882 -16.282
  151   2HZ   LYS  15          2HZ       LYS  15  -2.260  11.949 -17.706
  152   3HZ   LYS  15          3HZ       LYS  15  -3.889  12.187 -17.687
  153    H    GLN  16           H        GLN  16   0.431   4.570 -16.340
  154    HA   GLN  16           HA       GLN  16   0.737   3.523 -19.005
  155   1HB   GLN  16          1HB       GLN  16   1.909   2.841 -16.308
  156   2HB   GLN  16          2HB       GLN  16   2.217   1.787 -17.675
  157   1HG   GLN  16          1HG       GLN  16   3.386   3.376 -18.895
  158   2HG   GLN  16          2HG       GLN  16   2.690   4.741 -18.003
  159   1HE2  GLN  16          2HE2      GLN  16   4.840   5.585 -17.660
  160   2HE2  GLN  16          1HE2      GLN  16   5.870   4.889 -16.423
  161    H    TYR  17           H        TYR  17  -1.046   2.436 -16.180
  162    HA   TYR  17           HA       TYR  17  -1.347  -0.295 -17.056
  163   1HB   TYR  17          1HB       TYR  17  -2.077   1.336 -14.753
  164   2HB   TYR  17          2HB       TYR  17  -3.508   0.633 -15.380
  165    HD1  TYR  17           HD1      TYR  17  -3.437  -1.931 -15.869
  166    HD2  TYR  17           HD2      TYR  17  -1.037   0.173 -12.998
  167    HE1  TYR  17           HE1      TYR  17  -3.392  -3.966 -14.407
  168    HE2  TYR  17           HE2      TYR  17  -1.139  -1.792 -11.493
  169    HH   TYR  17           HH       TYR  17  -2.542  -4.912 -12.458
  170    H    ARG  18           H        ARG  18  -2.945   2.758 -17.704
  171    HA   ARG  18           HA       ARG  18  -5.278   1.535 -18.991
  172   1HB   ARG  18          1HB       ARG  18  -4.356   4.421 -18.844
  173   2HB   ARG  18          2HB       ARG  18  -5.670   3.851 -19.879
  174   1HG   ARG  18          1HG       ARG  18  -6.606   2.735 -17.712
  175   2HG   ARG  18          2HG       ARG  18  -5.523   3.837 -16.870
  176   1HD   ARG  18          1HD       ARG  18  -7.643   4.990 -17.019
  177   2HD   ARG  18          2HD       ARG  18  -6.690   5.688 -18.322
  178    HE   ARG  18           HE       ARG  18  -8.090   4.724 -19.888
  179   1HH1  ARG  18          1HH2      ARG  18  -8.636   3.186 -16.764
  180   2HH1  ARG  18          2HH2      ARG  18 -10.047   2.296 -17.262
  181   1HH2  ARG  18          1HH1      ARG  18  -9.874   3.501 -20.611
  182   2HH2  ARG  18          2HH1      ARG  18 -10.744   2.454 -19.524
  183    H    GLU  19           H        GLU  19  -2.231   3.034 -19.859
  184    HA   GLU  19           HA       GLU  19  -2.611   2.856 -22.685
  185   1HB   GLU  19          1HB       GLU  19  -0.736   4.118 -21.317
  186   2HB   GLU  19          2HB       GLU  19   0.146   2.586 -21.504
  187   1HG   GLU  19          1HG       GLU  19  -0.301   2.731 -24.000
  188   2HG   GLU  19          2HG       GLU  19  -1.050   4.312 -23.729
  189    H    ALA  20           H        ALA  20  -1.330   0.484 -20.286
  190    HA   ALA  20           HA       ALA  20  -0.599  -1.341 -22.469
  191   1HB   ALA  20          1HB       ALA  20   0.795  -1.643 -20.717
  192   2HB   ALA  20          2HB       ALA  20  -0.486  -1.475 -19.501
  193   3HB   ALA  20          3HB       ALA  20  -0.389  -2.955 -20.510
  194    H    LEU  21           H        LEU  21  -3.424  -0.912 -20.332
  195    HA   LEU  21           HA       LEU  21  -4.843  -3.223 -20.704
  196   1HB   LEU  21          1HB       LEU  21  -6.054  -1.801 -19.451
  197   2HB   LEU  21          2HB       LEU  21  -5.444  -0.395 -20.270
  198    HG   LEU  21           HG       LEU  21  -7.096  -0.749 -22.125
  199   1HD1  LEU  21          1HD1      LEU  21  -7.509  -3.248 -21.414
  200   2HD1  LEU  21          2HD1      LEU  21  -8.545  -2.568 -20.163
  201   3HD1  LEU  21          3HD1      LEU  21  -8.900  -2.256 -21.876
  202   1HD2  LEU  21          1HD2      LEU  21  -7.865  -0.182 -19.257
  203   2HD2  LEU  21          2HD2      LEU  21  -7.483   0.960 -20.550
  204   3HD2  LEU  21          3HD2      LEU  21  -9.005   0.047 -20.608
  205    H    GLU  22           H        GLU  22  -4.442  -0.706 -23.185
  206    HA   GLU  22           HA       GLU  22  -6.314  -1.972 -25.018
  207   1HB   GLU  22          1HB       GLU  22  -5.473  -0.264 -26.654
  208   2HB   GLU  22          2HB       GLU  22  -6.224   0.393 -25.192
  209   1HG   GLU  22          1HG       GLU  22  -4.143   0.988 -24.243
  210   2HG   GLU  22          2HG       GLU  22  -3.228   0.069 -25.473
  211    H    TYR  23           H        TYR  23  -2.846  -2.117 -24.398
  212    HA   TYR  23           HA       TYR  23  -2.266  -3.441 -26.935
  213   1HB   TYR  23          1HB       TYR  23  -0.708  -2.530 -24.489
  214   2HB   TYR  23          2HB       TYR  23  -0.025  -3.694 -25.596
  215    HD1  TYR  23           HD1      TYR  23   0.213  -0.355 -24.879
  216    HD2  TYR  23           HD2      TYR  23  -0.488  -2.977 -28.235
  217    HE1  TYR  23           HE1      TYR  23   1.079   1.367 -26.417
  218    HE2  TYR  23           HE2      TYR  23   0.287  -1.209 -29.776
  219    HH   TYR  23           HH       TYR  23   1.417   1.964 -28.610
  220    H    VAL  24           H        VAL  24  -2.989  -4.303 -23.616
  221    HA   VAL  24           HA       VAL  24  -2.074  -7.097 -24.039
  222    HB   VAL  24           HB       VAL  24  -3.278  -5.669 -21.686
  223   1HG1  VAL  24          1HG1      VAL  24  -3.948  -7.991 -21.437
  224   2HG1  VAL  24          2HG1      VAL  24  -2.381  -8.572 -22.033
  225   3HG1  VAL  24          3HG1      VAL  24  -2.494  -7.824 -20.442
  226   1HG2  VAL  24          1HG2      VAL  24  -0.476  -6.801 -22.045
  227   2HG2  VAL  24          2HG2      VAL  24  -0.885  -5.090 -22.273
  228   3HG2  VAL  24          3HG2      VAL  24  -1.081  -5.839 -20.683
  229    H    LYS  25           H        LYS  25  -5.057  -5.228 -24.225
  230    HA   LYS  25           HA       LYS  25  -7.141  -5.797 -24.901
  231   1HB   LYS  25          1HB       LYS  25  -5.533  -8.022 -26.172
  232   2HB   LYS  25          2HB       LYS  25  -7.288  -8.168 -26.132
  233   1HG   LYS  25          1HG       LYS  25  -7.600  -6.067 -27.243
  234   2HG   LYS  25          2HG       LYS  25  -5.849  -5.746 -27.254
  235   1HD   LYS  25          1HD       LYS  25  -5.414  -7.571 -28.724
  236   2HD   LYS  25          2HD       LYS  25  -7.010  -8.300 -28.467
  237   1HE   LYS  25          1HE       LYS  25  -8.131  -6.526 -29.666
  238   2HE   LYS  25          2HE       LYS  25  -6.640  -5.568 -29.770
  239   1HZ   LYS  25          1HZ       LYS  25  -5.704  -7.263 -31.143
  240   2HZ   LYS  25          2HZ       LYS  25  -7.067  -8.185 -31.040
  241   3HZ   LYS  25          3HZ       LYS  25  -7.114  -6.722 -31.801
  242    H    LEU  26           H        LEU  26  -7.167  -5.862 -22.404
  243    HA   LEU  26           HA       LEU  26  -8.778  -8.261 -21.766
  244   1HB   LEU  26          1HB       LEU  26  -6.350  -8.665 -21.102
  245   2HB   LEU  26          2HB       LEU  26  -6.520  -7.286 -20.016
  246    HG   LEU  26           HG       LEU  26  -8.563  -8.616 -19.047
  247   1HD1  LEU  26          1HD1      LEU  26  -8.490 -10.381 -20.895
  248   2HD1  LEU  26          2HD1      LEU  26  -6.955 -10.934 -20.201
  249   3HD1  LEU  26          3HD1      LEU  26  -8.446 -11.021 -19.241
  250   1HD2  LEU  26          1HD2      LEU  26  -5.656  -9.461 -18.661
  251   2HD2  LEU  26          2HD2      LEU  26  -6.495  -8.151 -17.802
  252   3HD2  LEU  26          3HD2      LEU  26  -6.982  -9.830 -17.542
  253    HA   PRO  27           HA       PRO  27 -10.889  -4.657 -19.993
  254   1HB   PRO  27          1HB       PRO  27 -13.171  -5.848 -19.065
  255   2HB   PRO  27          2HB       PRO  27 -12.881  -5.450 -20.782
  256   1HG   PRO  27          1HG       PRO  27 -12.607  -8.127 -19.422
  257   2HG   PRO  27          2HG       PRO  27 -13.270  -7.762 -21.039
  258   1HD   PRO  27          1HD       PRO  27 -10.694  -8.688 -20.578
  259   2HD   PRO  27          2HD       PRO  27 -11.134  -7.696 -21.998
  260    H    VAL  28           H        VAL  28 -10.500  -7.786 -18.283
  261    HA   VAL  28           HA       VAL  28 -10.713  -7.000 -15.616
  262    HB   VAL  28           HB       VAL  28  -8.753  -8.875 -16.847
  263   1HG1  VAL  28          1HG1      VAL  28  -7.813  -8.286 -14.700
  264   2HG1  VAL  28          2HG1      VAL  28  -9.385  -8.540 -13.897
  265   3HG1  VAL  28          3HG1      VAL  28  -8.476  -9.901 -14.568
  266   1HG2  VAL  28          1HG2      VAL  28 -11.171  -9.677 -15.219
  267   2HG2  VAL  28          2HG2      VAL  28 -11.069  -9.765 -17.010
  268   3HG2  VAL  28          3HG2      VAL  28 -10.012 -10.746 -15.993
  269    H    LEU  29           H        LEU  29  -8.151  -6.093 -17.972
  270    HA   LEU  29           HA       LEU  29  -6.244  -5.321 -15.975
  271   1HB   LEU  29          1HB       LEU  29  -6.497  -5.253 -18.879
  272   2HB   LEU  29          2HB       LEU  29  -5.835  -3.740 -18.297
  273    HG   LEU  29           HG       LEU  29  -4.712  -6.311 -17.156
  274   1HD1  LEU  29          1HD1      LEU  29  -4.447  -7.060 -19.276
  275   2HD1  LEU  29          2HD1      LEU  29  -4.546  -5.435 -19.998
  276   3HD1  LEU  29          3HD1      LEU  29  -3.045  -5.975 -19.206
  277   1HD2  LEU  29          1HD2      LEU  29  -3.343  -3.771 -18.109
  278   2HD2  LEU  29          2HD2      LEU  29  -4.140  -3.893 -16.527
  279   3HD2  LEU  29          3HD2      LEU  29  -2.797  -4.993 -16.916
  280    H    ALA  30           H        ALA  30  -8.566  -3.306 -17.885
  281    HA   ALA  30           HA       ALA  30  -8.103  -0.930 -16.265
  282   1HB   ALA  30          1HB       ALA  30  -9.633  -1.431 -18.530
  283   2HB   ALA  30          2HB       ALA  30 -10.863  -1.297 -17.267
  284   3HB   ALA  30          3HB       ALA  30  -9.714   0.028 -17.527
  285    H    LYS  31           H        LYS  31 -10.124  -3.743 -15.700
  286    HA   LYS  31           HA       LYS  31 -11.399  -2.379 -13.454
  287   1HB   LYS  31          1HB       LYS  31 -11.678  -4.897 -14.882
  288   2HB   LYS  31          2HB       LYS  31 -11.644  -5.213 -13.145
  289   1HG   LYS  31          1HG       LYS  31 -13.545  -3.904 -12.738
  290   2HG   LYS  31          2HG       LYS  31 -13.378  -2.961 -14.229
  291   1HD   LYS  31          1HD       LYS  31 -14.121  -4.653 -15.634
  292   2HD   LYS  31          2HD       LYS  31 -13.885  -5.936 -14.436
  293   1HE   LYS  31          1HE       LYS  31 -15.914  -3.692 -14.007
  294   2HE   LYS  31          2HE       LYS  31 -16.308  -5.175 -14.894
  295   1HZ   LYS  31          1HZ       LYS  31 -15.566  -6.412 -12.942
  296   2HZ   LYS  31          2HZ       LYS  31 -15.429  -5.002 -12.102
  297   3HZ   LYS  31          3HZ       LYS  31 -16.899  -5.485 -12.670
  298    H    ILE  32           H        ILE  32  -8.524  -4.370 -13.851
  299    HA   ILE  32           HA       ILE  32  -8.095  -4.684 -10.979
  300    HB   ILE  32           HB       ILE  32  -6.491  -5.138 -13.505
  301   1HG1  ILE  32          2HG1      ILE  32  -7.327  -6.873 -11.128
  302   2HG1  ILE  32          3HG1      ILE  32  -8.080  -6.831 -12.705
  303   1HG2  ILE  32          1HG2      ILE  32  -4.836  -4.090 -12.093
  304   2HG2  ILE  32          2HG2      ILE  32  -5.259  -5.145 -10.740
  305   3HG2  ILE  32          3HG2      ILE  32  -4.515  -5.810 -12.206
  306   1HD1  ILE  32          1HD1      ILE  32  -5.843  -7.614 -13.675
  307   2HD1  ILE  32          2HD1      ILE  32  -5.308  -7.871 -11.997
  308   3HD1  ILE  32          3HD1      ILE  32  -6.689  -8.772 -12.621
  309    H    LEU  33           H        LEU  33  -6.874  -2.520 -13.540
  310    HA   LEU  33           HA       LEU  33  -5.089  -1.156 -11.932
  311   1HB   LEU  33          1HB       LEU  33  -4.646   0.212 -13.590
  312   2HB   LEU  33          2HB       LEU  33  -5.311  -1.217 -14.401
  313    HG   LEU  33           HG       LEU  33  -7.480   0.064 -14.521
  314   1HD1  LEU  33          1HD1      LEU  33  -7.615   1.980 -13.423
  315   2HD1  LEU  33          2HD1      LEU  33  -5.848   2.091 -13.210
  316   3HD1  LEU  33          3HD1      LEU  33  -6.620   2.672 -14.706
  317   1HD2  LEU  33          1HD2      LEU  33  -5.295   1.412 -16.081
  318   2HD2  LEU  33          2HD2      LEU  33  -5.647  -0.314 -16.347
  319   3HD2  LEU  33          3HD2      LEU  33  -6.905   0.904 -16.605
  320    H    GLU  34           H        GLU  34  -8.573  -0.658 -12.619
  321    HA   GLU  34           HA       GLU  34  -8.999   1.868 -11.469
  322   1HB   GLU  34          1HB       GLU  34 -10.560   0.533 -12.907
  323   2HB   GLU  34          2HB       GLU  34 -10.973  -0.453 -11.526
  324   1HG   GLU  34          1HG       GLU  34 -11.189   2.585 -11.397
  325   2HG   GLU  34          2HG       GLU  34 -12.437   1.633 -12.210
  326    H    ASP  35           H        ASP  35  -9.458  -1.355 -10.097
  327    HA   ASP  35           HA       ASP  35 -10.207  -0.602  -7.493
  328   1HB   ASP  35          1HB       ASP  35  -9.657  -3.031  -8.770
  329   2HB   ASP  35          2HB       ASP  35  -8.332  -2.915  -7.615
  330    H    GLU  36           H        GLU  36  -6.956  -1.142  -8.871
  331    HA   GLU  36           HA       GLU  36  -5.442  -0.462  -6.562
  332   1HB   GLU  36          1HB       GLU  36  -4.679  -0.003  -9.470
  333   2HB   GLU  36          2HB       GLU  36  -3.585  -0.061  -8.097
  334   1HG   GLU  36          1HG       GLU  36  -5.334  -2.476  -8.728
  335   2HG   GLU  36          2HG       GLU  36  -3.827  -2.178  -9.597
  336    H    GLU  37           H        GLU  37  -6.736   1.612  -9.171
  337    HA   GLU  37           HA       GLU  37  -5.515   3.967  -8.630
  338   1HB   GLU  37          1HB       GLU  37  -7.534   3.078 -10.271
  339   2HB   GLU  37          2HB       GLU  37  -8.466   4.148  -9.225
  340   1HG   GLU  37          1HG       GLU  37  -5.862   5.068 -10.452
  341   2HG   GLU  37          2HG       GLU  37  -7.270   4.861 -11.486
  342    H    LYS  38           H        LYS  38  -8.277   2.561  -6.867
  343    HA   LYS  38           HA       LYS  38  -8.716   4.857  -5.210
  344   1HB   LYS  38          1HB       LYS  38 -10.323   3.047  -5.558
  345   2HB   LYS  38          2HB       LYS  38  -9.283   1.911  -4.679
  346   1HG   LYS  38          1HG       LYS  38  -9.568   3.047  -2.604
  347   2HG   LYS  38          2HG       LYS  38 -10.055   4.555  -3.395
  348   1HD   LYS  38          1HD       LYS  38 -12.181   3.394  -4.150
  349   2HD   LYS  38          2HD       LYS  38 -11.729   2.039  -3.088
  350   1HE   LYS  38          1HE       LYS  38 -11.553   3.710  -1.177
  351   2HE   LYS  38          2HE       LYS  38 -12.123   4.979  -2.277
  352   1HZ   LYS  38          1HZ       LYS  38 -14.161   3.842  -2.512
  353   2HZ   LYS  38          2HZ       LYS  38 -13.636   2.553  -1.624
  354   3HZ   LYS  38          3HZ       LYS  38 -13.851   4.021  -0.902
  355    H    HIS  39           H        HIS  39  -6.597   2.003  -4.812
  356    HA   HIS  39           HA       HIS  39  -5.678   2.623  -2.160
  357   1HB   HIS  39          1HB       HIS  39  -4.401   1.061  -4.457
  358   2HB   HIS  39          2HB       HIS  39  -3.649   1.294  -2.912
  359    HD1  HIS  39           HD1      HIS  39  -5.788   0.689  -0.856
  360    HD2  HIS  39           HD2      HIS  39  -5.639  -1.273  -4.575
  361    HE1  HIS  39           HE1      HIS  39  -7.151  -1.484  -0.603
  362    HE2  HIS  39           HE2      HIS  39  -7.092  -2.619  -2.909
  363    H    ILE  40           H        ILE  40  -4.557   3.580  -5.401
  364    HA   ILE  40           HA       ILE  40  -2.345   5.176  -4.445
  365    HB   ILE  40           HB       ILE  40  -3.865   5.215  -7.096
  366   1HG1  ILE  40          2HG1      ILE  40  -1.634   4.281  -7.893
  367   2HG1  ILE  40          3HG1      ILE  40  -1.206   4.060  -6.174
  368   1HG2  ILE  40          1HG2      ILE  40  -2.793   7.430  -6.731
  369   2HG2  ILE  40          2HG2      ILE  40  -1.267   6.618  -6.328
  370   3HG2  ILE  40          3HG2      ILE  40  -1.945   6.518  -7.966
  371   1HD1  ILE  40          1HD1      ILE  40  -2.897   2.323  -6.009
  372   2HD1  ILE  40          2HD1      ILE  40  -3.509   2.782  -7.630
  373   3HD1  ILE  40          3HD1      ILE  40  -1.922   2.029  -7.451
  374    H    GLU  41           H        GLU  41  -5.736   5.848  -5.224
  375    HA   GLU  41           HA       GLU  41  -5.729   8.610  -4.936
  376   1HB   GLU  41          1HB       GLU  41  -7.682   7.058  -5.695
  377   2HB   GLU  41          2HB       GLU  41  -8.049   6.941  -3.959
  378   1HG   GLU  41          1HG       GLU  41  -7.931   9.586  -4.067
  379   2HG   GLU  41          2HG       GLU  41  -8.087   9.342  -5.808
  380    H    TRP  42           H        TRP  42  -5.804   6.028  -2.384
  381    HA   TRP  42           HA       TRP  42  -6.483   7.623  -0.224
  382   1HB   TRP  42          1HB       TRP  42  -5.961   5.081  -0.476
  383   2HB   TRP  42          2HB       TRP  42  -4.332   5.539  -0.014
  384    HD1  TRP  42           HD1      TRP  42  -7.869   5.350   1.339
  385    HE1  TRP  42           HE1      TRP  42  -7.867   5.743   3.952
  386    HE3  TRP  42           HE3      TRP  42  -3.065   6.684   1.865
  387    HZ2  TRP  42           HZ2      TRP  42  -5.917   6.439   5.949
  388    HZ3  TRP  42           HZ3      TRP  42  -2.086   7.229   4.138
  389    HH2  TRP  42           HH2      TRP  42  -3.530   7.126   6.158
  390    H    LEU  43           H        LEU  43  -3.411   7.321  -1.945
  391    HA   LEU  43           HA       LEU  43  -1.924   9.092  -0.139
  392   1HB   LEU  43          1HB       LEU  43  -1.174   8.009  -2.886
  393   2HB   LEU  43          2HB       LEU  43  -0.150   8.928  -1.795
  394    HG   LEU  43           HG       LEU  43  -1.143   6.818  -0.179
  395   1HD1  LEU  43          1HD1      LEU  43  -1.935   5.670  -2.187
  396   2HD1  LEU  43          2HD1      LEU  43  -0.329   5.724  -2.909
  397   3HD1  LEU  43          3HD1      LEU  43  -0.606   4.783  -1.441
  398   1HD2  LEU  43          1HD2      LEU  43   1.499   7.318  -1.554
  399   2HD2  LEU  43          2HD2      LEU  43   1.055   7.597   0.133
  400   3HD2  LEU  43          3HD2      LEU  43   1.255   5.945  -0.447
  401    H    GLU  44           H        GLU  44  -3.556   9.354  -3.319
  402    HA   GLU  44           HA       GLU  44  -2.933  12.256  -3.466
  403   1HB   GLU  44          1HB       GLU  44  -4.501  10.449  -5.352
  404   2HB   GLU  44          2HB       GLU  44  -4.293  12.180  -5.551
  405   1HG   GLU  44          1HG       GLU  44  -1.687  11.450  -5.221
  406   2HG   GLU  44          2HG       GLU  44  -2.328  10.019  -6.046
  407    H    THR  45           H        THR  45  -4.630  11.220  -1.195
  408    HA   THR  45           HA       THR  45  -6.583  13.394  -1.473
  409    HB   THR  45           HB       THR  45  -7.546  11.151  -2.341
  410    HG1  THR  45           HG1      THR  45  -8.699  13.056  -0.661
  411   1HG2  THR  45          1HG2      THR  45  -6.984   9.744  -0.384
  412   2HG2  THR  45          2HG2      THR  45  -8.179  10.650   0.566
  413   3HG2  THR  45          3HG2      THR  45  -8.680   9.715  -0.863
  414    H    ILE  46           H        ILE  46  -5.462  10.687   0.450
  415    HA   ILE  46           HA       ILE  46  -5.200  10.347   2.647
  416    HB   ILE  46           HB       ILE  46  -3.113  11.260   1.927
  417   1HG1  ILE  46          2HG1      ILE  46  -2.149  12.027   4.023
  418   2HG1  ILE  46          3HG1      ILE  46  -3.747  12.259   4.732
  419   1HG2  ILE  46          1HG2      ILE  46  -3.623  13.403   1.038
  420   2HG2  ILE  46          2HG2      ILE  46  -4.132  14.027   2.623
  421   3HG2  ILE  46          3HG2      ILE  46  -2.438  13.601   2.321
  422   1HD1  ILE  46          1HD1      ILE  46  -3.218   9.571   3.521
  423   2HD1  ILE  46          2HD1      ILE  46  -2.282   9.975   4.967
  424   3HD1  ILE  46          3HD1      ILE  46  -4.057   9.991   5.031
  425    H    LEU  47           H        LEU  47  -7.554  10.672   2.669
  426    HA   LEU  47           HA       LEU  47  -9.463  11.366   3.696
  427   1HB   LEU  47          1HB       LEU  47  -8.728  10.972   5.764
  428   2HB   LEU  47          2HB       LEU  47  -7.417  12.112   5.744
  429    HG   LEU  47           HG       LEU  47 -10.060  13.460   5.668
  430   1HD1  LEU  47          1HD1      LEU  47 -10.753  11.577   7.018
  431   2HD1  LEU  47          2HD1      LEU  47  -9.289  11.697   8.021
  432   3HD1  LEU  47          3HD1      LEU  47 -10.511  12.984   8.067
  433   1HD2  LEU  47          1HD2      LEU  47  -7.631  13.595   7.533
  434   2HD2  LEU  47          2HD2      LEU  47  -7.850  14.602   6.097
  435   3HD2  LEU  47          3HD2      LEU  47  -8.960  14.770   7.467
  436    H    GLY  48           H        GLY  48  -9.832  12.391   1.726
  437   1HA   GLY  48          1HA       GLY  48  -9.161  14.997   0.963
  438   2HA   GLY  48          2HA       GLY  48 -10.658  14.151   0.529
  439   1HN   NH2  49          1HN       NH2  49  -9.487  16.902   2.060
  440   2HN   NH2  49          2HN       NH2  49 -10.883  17.252   3.114
  441   1H    ACE   0          H1        ACE   0   9.170  -8.461 -22.887
  442   2H    ACE   0          H2        ACE   0   7.669  -9.254 -22.350
  443   3H    ACE   0          H3        ACE   0   9.034  -9.071 -21.227
  444    H    ASP   1           H        ASP   1   8.308  -6.460 -23.379
  445    HA   ASP   1           HA       ASP   1   8.543  -4.454 -21.613
  446   1HB   ASP   1          1HB       ASP   1   8.406  -4.093 -24.026
  447   2HB   ASP   1          2HB       ASP   1   6.681  -4.503 -24.028
  448    H    TYR   2           H        TYR   2   5.245  -5.504 -22.631
  449    HA   TYR   2           HA       TYR   2   3.870  -3.930 -20.871
  450   1HB   TYR   2          1HB       TYR   2   3.109  -6.694 -21.882
  451   2HB   TYR   2          2HB       TYR   2   2.023  -5.453 -21.283
  452    HD1  TYR   2           HD1      TYR   2   2.544  -2.983 -22.510
  453    HD2  TYR   2           HD2      TYR   2   2.958  -6.937 -24.181
  454    HE1  TYR   2           HE1      TYR   2   2.498  -2.029 -24.797
  455    HE2  TYR   2           HE2      TYR   2   2.814  -5.985 -26.470
  456    HH   TYR   2           HH       TYR   2   2.247  -4.074 -27.681
  457    H    LEU   3           H        LEU   3   4.784  -7.379 -20.334
  458    HA   LEU   3           HA       LEU   3   3.697  -7.416 -17.697
  459   1HB   LEU   3          1HB       LEU   3   5.862  -9.105 -19.052
  460   2HB   LEU   3          2HB       LEU   3   5.427  -9.305 -17.355
  461    HG   LEU   3           HG       LEU   3   2.924  -9.348 -18.481
  462   1HD1  LEU   3          1HD1      LEU   3   3.846  -9.335 -20.809
  463   2HD1  LEU   3          2HD1      LEU   3   4.691 -10.858 -20.450
  464   3HD1  LEU   3          3HD1      LEU   3   2.920 -10.795 -20.423
  465   1HD2  LEU   3          1HD2      LEU   3   4.732 -11.769 -18.117
  466   2HD2  LEU   3          2HD2      LEU   3   3.852 -10.933 -16.818
  467   3HD2  LEU   3          3HD2      LEU   3   2.955 -11.750 -18.102
  468    H    ARG   4           H        ARG   4   6.921  -6.433 -18.863
  469    HA   ARG   4           HA       ARG   4   7.779  -5.887 -16.152
  470   1HB   ARG   4          1HB       ARG   4   8.920  -5.208 -18.859
  471   2HB   ARG   4          2HB       ARG   4   9.712  -4.783 -17.322
  472   1HG   ARG   4          1HG       ARG   4   9.640  -7.185 -16.641
  473   2HG   ARG   4          2HG       ARG   4   9.025  -7.625 -18.238
  474   1HD   ARG   4          1HD       ARG   4  11.655  -6.097 -17.900
  475   2HD   ARG   4          2HD       ARG   4  11.556  -7.843 -17.728
  476    HE   ARG   4           HE       ARG   4  11.243  -8.171 -19.936
  477   1HH1  ARG   4          1HH2      ARG   4  10.899  -4.715 -19.317
  478   2HH1  ARG   4          2HH2      ARG   4  11.019  -4.247 -20.985
  479   1HH2  ARG   4          1HH1      ARG   4  11.449  -7.603 -22.102
  480   2HH2  ARG   4          2HH1      ARG   4  11.359  -5.937 -22.611
  481    H    GLU   5           H        GLU   5   5.423  -4.331 -17.831
  482    HA   GLU   5           HA       GLU   5   6.151  -1.635 -16.762
  483   1HB   GLU   5          1HB       GLU   5   4.448  -2.520 -19.081
  484   2HB   GLU   5          2HB       GLU   5   4.047  -1.034 -18.208
  485   1HG   GLU   5          1HG       GLU   5   6.332  -0.180 -18.604
  486   2HG   GLU   5          2HG       GLU   5   6.699  -1.628 -19.566
  487    H    LEU   6           H        LEU   6   3.697  -4.228 -16.644
  488    HA   LEU   6           HA       LEU   6   2.343  -2.663 -14.437
  489   1HB   LEU   6          1HB       LEU   6   1.150  -4.905 -16.012
  490   2HB   LEU   6          2HB       LEU   6   0.373  -3.797 -14.878
  491    HG   LEU   6           HG       LEU   6   0.811  -1.944 -16.641
  492   1HD1  LEU   6          1HD1      LEU   6   2.493  -2.930 -18.094
  493   2HD1  LEU   6          2HD1      LEU   6   1.622  -4.504 -18.111
  494   3HD1  LEU   6          3HD1      LEU   6   1.043  -3.132 -18.989
  495   1HD2  LEU   6          1HD2      LEU   6  -0.791  -4.265 -17.753
  496   2HD2  LEU   6          2HD2      LEU   6  -1.292  -3.453 -16.267
  497   3HD2  LEU   6          3HD2      LEU   6  -1.189  -2.534 -17.764
  498    H    LEU   7           H        LEU   7   4.763  -4.709 -14.557
  499    HA   LEU   7           HA       LEU   7   3.843  -6.154 -12.216
  500   1HB   LEU   7          1HB       LEU   7   3.985  -7.495 -14.458
  501   2HB   LEU   7          2HB       LEU   7   5.731  -7.559 -14.110
  502    HG   LEU   7           HG       LEU   7   3.499  -8.442 -12.251
  503   1HD1  LEU   7          1HD1      LEU   7   3.759  -9.689 -14.486
  504   2HD1  LEU   7          2HD1      LEU   7   5.337 -10.228 -13.896
  505   3HD1  LEU   7          3HD1      LEU   7   3.842 -10.642 -13.020
  506   1HD2  LEU   7          1HD2      LEU   7   6.171  -9.639 -11.840
  507   2HD2  LEU   7          2HD2      LEU   7   6.193  -7.907 -11.581
  508   3HD2  LEU   7          3HD2      LEU   7   5.056  -8.890 -10.677
  509    H    LYS   8           H        LYS   8   6.861  -5.551 -14.137
  510    HA   LYS   8           HA       LYS   8   8.488  -5.539 -11.908
  511   1HB   LYS   8          1HB       LYS   8   9.064  -5.362 -14.509
  512   2HB   LYS   8          2HB       LYS   8   9.067  -3.629 -14.179
  513   1HG   LYS   8          1HG       LYS   8  11.264  -4.133 -13.900
  514   2HG   LYS   8          2HG       LYS   8  10.688  -4.223 -12.238
  515   1HD   LYS   8          1HD       LYS   8  10.349  -6.860 -13.457
  516   2HD   LYS   8          2HD       LYS   8  11.917  -6.241 -13.965
  517   1HE   LYS   8          1HE       LYS   8  11.988  -5.688 -11.240
  518   2HE   LYS   8          2HE       LYS   8  10.965  -7.131 -11.281
  519   1HZ   LYS   8          1HZ       LYS   8  12.729  -8.214 -12.521
  520   2HZ   LYS   8          2HZ       LYS   8  13.643  -6.843 -12.455
  521   3HZ   LYS   8          3HZ       LYS   8  13.276  -7.652 -11.070
  522    H    LEU   9           H        LEU   9   6.874  -2.802 -13.477
  523    HA   LEU   9           HA       LEU   9   7.744  -0.818 -11.551
  524   1HB   LEU   9          1HB       LEU   9   5.587  -0.807 -13.665
  525   2HB   LEU   9          2HB       LEU   9   6.017   0.604 -12.722
  526    HG   LEU   9           HG       LEU   9   8.040  -0.830 -14.454
  527   1HD1  LEU   9          1HD1      LEU   9   5.912   0.272 -15.661
  528   2HD1  LEU   9          2HD1      LEU   9   6.777   1.763 -15.357
  529   3HD1  LEU   9          3HD1      LEU   9   7.550   0.478 -16.299
  530   1HD2  LEU   9          1HD2      LEU   9   7.988   2.079 -13.506
  531   2HD2  LEU   9          2HD2      LEU   9   8.792   0.806 -12.586
  532   3HD2  LEU   9          3HD2      LEU   9   9.347   1.189 -14.220
  533    H    GLU  10           H        GLU  10   5.384  -3.302 -11.370
  534    HA   GLU  10           HA       GLU  10   3.735  -1.799  -9.425
  535   1HB   GLU  10          1HB       GLU  10   3.577  -4.607 -10.583
  536   2HB   GLU  10          2HB       GLU  10   2.704  -4.007  -9.194
  537   1HG   GLU  10          1HG       GLU  10   2.460  -2.801 -11.970
  538   2HG   GLU  10          2HG       GLU  10   1.316  -3.941 -11.255
  539    H    LEU  11           H        LEU  11   6.213  -4.385  -9.656
  540    HA   LEU  11           HA       LEU  11   6.036  -5.141  -6.888
  541   1HB   LEU  11          1HB       LEU  11   7.706  -5.853  -9.161
  542   2HB   LEU  11          2HB       LEU  11   8.767  -5.373  -7.841
  543    HG   LEU  11           HG       LEU  11   7.385  -6.947  -6.330
  544   1HD1  LEU  11          1HD1      LEU  11   5.467  -7.215  -7.950
  545   2HD1  LEU  11          2HD1      LEU  11   6.576  -8.052  -9.056
  546   3HD1  LEU  11          3HD1      LEU  11   6.193  -8.762  -7.477
  547   1HD2  LEU  11          1HD2      LEU  11   9.092  -8.028  -8.611
  548   2HD2  LEU  11          2HD2      LEU  11   9.650  -7.492  -7.009
  549   3HD2  LEU  11          3HD2      LEU  11   8.646  -8.946  -7.156
  550    H    GLN  12           H        GLN  12   7.928  -2.680  -8.615
  551    HA   GLN  12           HA       GLN  12   9.509  -1.766  -6.516
  552   1HB   GLN  12          1HB       GLN  12   9.924   0.139  -7.752
  553   2HB   GLN  12          2HB       GLN  12   9.374  -0.975  -9.015
  554   1HG   GLN  12          1HG       GLN  12   7.055   0.033  -8.638
  555   2HG   GLN  12          2HG       GLN  12   7.807   1.275  -7.653
  556   1HE2  GLN  12          2HE2      GLN  12   6.332   1.704 -10.074
  557   2HE2  GLN  12          1HE2      GLN  12   7.437   2.532 -11.166
  558    H    LEU  13           H        LEU  13   6.018  -1.370  -6.888
  559    HA   LEU  13           HA       LEU  13   5.771   0.928  -5.147
  560   1HB   LEU  13          1HB       LEU  13   3.619  -1.085  -5.904
  561   2HB   LEU  13          2HB       LEU  13   3.386   0.559  -5.322
  562    HG   LEU  13           HG       LEU  13   4.666  -0.169  -7.967
  563   1HD1  LEU  13          1HD1      LEU  13   2.268  -0.931  -7.608
  564   2HD1  LEU  13          2HD1      LEU  13   1.811   0.761  -7.482
  565   3HD1  LEU  13          3HD1      LEU  13   2.521   0.124  -8.973
  566   1HD2  LEU  13          1HD2      LEU  13   3.456   2.515  -7.586
  567   2HD2  LEU  13          2HD2      LEU  13   4.891   2.238  -6.611
  568   3HD2  LEU  13          3HD2      LEU  13   4.982   2.057  -8.345
  569    H    ILE  14           H        ILE  14   5.023  -2.588  -4.946
  570    HA   ILE  14           HA       ILE  14   4.307  -2.512  -2.160
  571    HB   ILE  14           HB       ILE  14   5.142  -4.673  -4.123
  572   1HG1  ILE  14          2HG1      ILE  14   2.841  -5.460  -3.604
  573   2HG1  ILE  14          3HG1      ILE  14   2.623  -4.140  -2.460
  574   1HG2  ILE  14          1HG2      ILE  14   6.117  -5.463  -2.024
  575   2HG2  ILE  14          2HG2      ILE  14   4.618  -5.079  -1.145
  576   3HG2  ILE  14          3HG2      ILE  14   4.642  -6.365  -2.366
  577   1HD1  ILE  14          1HD1      ILE  14   2.589  -2.512  -4.229
  578   2HD1  ILE  14          2HD1      ILE  14   3.186  -3.714  -5.408
  579   3HD1  ILE  14          3HD1      ILE  14   1.565  -3.856  -4.707
  580    H    LYS  15           H        LYS  15   7.439  -2.673  -3.769
  581    HA   LYS  15           HA       LYS  15   8.962  -3.126  -1.369
  582   1HB   LYS  15          1HB       LYS  15   9.439  -2.912  -4.190
  583   2HB   LYS  15          2HB       LYS  15  10.277  -1.573  -3.480
  584   1HG   LYS  15          1HG       LYS  15  11.855  -3.247  -3.522
  585   2HG   LYS  15          2HG       LYS  15  11.323  -3.338  -1.842
  586   1HD   LYS  15          1HD       LYS  15  10.204  -5.396  -2.189
  587   2HD   LYS  15          2HD       LYS  15   9.893  -5.061  -3.898
  588   1HE   LYS  15          1HE       LYS  15  12.363  -5.305  -4.366
  589   2HE   LYS  15          2HE       LYS  15  12.584  -5.839  -2.688
  590   1HZ   LYS  15          1HZ       LYS  15  11.027  -7.634  -3.201
  591   2HZ   LYS  15          2HZ       LYS  15  10.936  -7.116  -4.764
  592   3HZ   LYS  15          3HZ       LYS  15  12.365  -7.670  -4.165
  593    H    GLN  16           H        GLN  16   8.088  -0.190  -3.270
  594    HA   GLN  16           HA       GLN  16   9.489   1.643  -1.523
  595   1HB   GLN  16          1HB       GLN  16   7.531   1.879  -3.804
  596   2HB   GLN  16          2HB       GLN  16   7.716   3.269  -2.750
  597   1HG   GLN  16          1HG       GLN  16   9.832   3.751  -3.352
  598   2HG   GLN  16          2HG       GLN  16  10.297   2.059  -3.583
  599   1HE2  GLN  16          2HE2      GLN  16  11.452   3.078  -5.445
  600   2HE2  GLN  16          1HE2      GLN  16  10.558   3.157  -6.955
  601    H    TYR  17           H        TYR  17   6.331   0.208  -1.501
  602    HA   TYR  17           HA       TYR  17   5.102   2.010   0.280
  603   1HB   TYR  17          1HB       TYR  17   4.587  -0.831  -0.698
  604   2HB   TYR  17          2HB       TYR  17   3.695  -0.282   0.679
  605    HD1  TYR  17           HD1      TYR  17   2.884  -0.884  -2.534
  606    HD2  TYR  17           HD2      TYR  17   2.968   2.371   0.249
  607    HE1  TYR  17           HE1      TYR  17   1.192   0.295  -3.867
  608    HE2  TYR  17           HE2      TYR  17   1.104   3.455  -0.960
  609    HH   TYR  17           HH       TYR  17   0.164   2.392  -4.197
  610    H    ARG  18           H        ARG  18   7.293  -0.652   0.674
  611    HA   ARG  18           HA       ARG  18   6.891  -0.894   3.573
  612   1HB   ARG  18          1HB       ARG  18   8.923  -2.131   1.689
  613   2HB   ARG  18          2HB       ARG  18   8.885  -2.393   3.437
  614   1HG   ARG  18          1HG       ARG  18   6.616  -3.284   3.322
  615   2HG   ARG  18          2HG       ARG  18   6.510  -2.938   1.604
  616   1HD   ARG  18          1HD       ARG  18   7.397  -4.887   1.070
  617   2HD   ARG  18          2HD       ARG  18   8.876  -4.539   1.990
  618    HE   ARG  18           HE       ARG  18   6.938  -5.277   3.874
  619   1HH1  ARG  18          1HH2      ARG  18   8.542  -6.753   1.112
  620   2HH1  ARG  18          2HH2      ARG  18   8.410  -8.387   1.706
  621   1HH2  ARG  18          1HH1      ARG  18   6.733  -7.383   4.682
  622   2HH2  ARG  18          2HH1      ARG  18   7.352  -8.753   3.802
  623    H    GLU  19           H        GLU  19   9.074   0.556   1.256
  624    HA   GLU  19           HA       GLU  19  10.917   1.559   3.211
  625   1HB   GLU  19          1HB       GLU  19  11.340   1.189   0.716
  626   2HB   GLU  19          2HB       GLU  19  10.553   2.765   0.465
  627   1HG   GLU  19          1HG       GLU  19  12.219   3.869   1.849
  628   2HG   GLU  19          2HG       GLU  19  12.884   2.315   2.381
  629    H    ALA  20           H        ALA  20   7.913   2.943   1.795
  630    HA   ALA  20           HA       ALA  20   8.413   5.491   3.278
  631   1HB   ALA  20          1HB       ALA  20   7.152   5.292   1.023
  632   2HB   ALA  20          2HB       ALA  20   5.783   4.811   2.090
  633   3HB   ALA  20          3HB       ALA  20   6.574   6.374   2.287
  634    H    LEU  21           H        LEU  21   6.692   2.395   3.789
  635    HA   LEU  21           HA       LEU  21   4.938   3.104   5.728
  636   1HB   LEU  21          1HB       LEU  21   6.146   0.682   4.887
  637   2HB   LEU  21          2HB       LEU  21   6.330   0.666   6.617
  638    HG   LEU  21           HG       LEU  21   3.653   1.435   5.507
  639   1HD1  LEU  21          1HD1      LEU  21   4.084  -0.393   4.038
  640   2HD1  LEU  21          2HD1      LEU  21   4.659  -1.422   5.374
  641   3HD1  LEU  21          3HD1      LEU  21   2.961  -0.934   5.274
  642   1HD2  LEU  21          1HD2      LEU  21   4.416  -0.365   7.831
  643   2HD2  LEU  21          2HD2      LEU  21   3.935   1.348   7.945
  644   3HD2  LEU  21          3HD2      LEU  21   2.776   0.134   7.389
  645    H    GLU  22           H        GLU  22   8.404   2.862   6.210
  646    HA   GLU  22           HA       GLU  22   8.382   3.008   9.067
  647   1HB   GLU  22          1HB       GLU  22  10.766   3.873   8.754
  648   2HB   GLU  22          2HB       GLU  22  10.396   2.230   8.215
  649   1HG   GLU  22          1HG       GLU  22  10.413   2.793   5.957
  650   2HG   GLU  22          2HG       GLU  22  10.266   4.540   6.266
  651    H    TYR  23           H        TYR  23   8.165   5.394   6.527
  652    HA   TYR  23           HA       TYR  23   8.480   7.746   8.272
  653   1HB   TYR  23          1HB       TYR  23   8.534   7.142   5.356
  654   2HB   TYR  23          2HB       TYR  23   7.706   8.608   5.793
  655    HD1  TYR  23           HD1      TYR  23  10.839   6.799   6.848
  656    HD2  TYR  23           HD2      TYR  23   9.033  10.560   5.753
  657    HE1  TYR  23           HE1      TYR  23  12.986   7.940   7.244
  658    HE2  TYR  23           HE2      TYR  23  11.196  11.704   6.150
  659    HH   TYR  23           HH       TYR  23  14.074   9.958   7.333
  660    H    VAL  24           H        VAL  24   5.995   5.857   6.625
  661    HA   VAL  24           HA       VAL  24   3.910   7.870   6.908
  662    HB   VAL  24           HB       VAL  24   3.779   4.916   6.318
  663   1HG1  VAL  24          1HG1      VAL  24   1.602   5.303   6.753
  664   2HG1  VAL  24          2HG1      VAL  24   1.666   7.044   6.395
  665   3HG1  VAL  24          3HG1      VAL  24   1.544   5.858   5.091
  666   1HG2  VAL  24          1HG2      VAL  24   3.290   6.557   3.995
  667   2HG2  VAL  24          2HG2      VAL  24   4.873   6.961   4.695
  668   3HG2  VAL  24          3HG2      VAL  24   4.486   5.301   4.241
  669    H    LYS  25           H        LYS  25   4.809   4.882   8.605
  670    HA   LYS  25           HA       LYS  25   4.272   3.989  10.602
  671   1HB   LYS  25          1HB       LYS  25   3.554   6.836  11.367
  672   2HB   LYS  25          2HB       LYS  25   3.967   5.544  12.480
  673   1HG   LYS  25          1HG       LYS  25   6.245   5.700  12.072
  674   2HG   LYS  25          2HG       LYS  25   6.025   6.106  10.380
  675   1HD   LYS  25          1HD       LYS  25   5.132   8.376  11.112
  676   2HD   LYS  25          2HD       LYS  25   5.761   8.027  12.733
  677   1HE   LYS  25          1HE       LYS  25   7.484   7.774  10.236
  678   2HE   LYS  25          2HE       LYS  25   7.201   9.360  10.935
  679   1HZ   LYS  25          1HZ       LYS  25   8.288   8.695  12.872
  680   2HZ   LYS  25          2HZ       LYS  25   8.302   7.096  12.443
  681   3HZ   LYS  25          3HZ       LYS  25   9.225   8.181  11.619
  682    H    LEU  26           H        LEU  26   2.309   3.449   8.815
  683    HA   LEU  26           HA       LEU  26  -0.138   3.618  10.458
  684   1HB   LEU  26          1HB       LEU  26   0.292   5.376   8.433
  685   2HB   LEU  26          2HB       LEU  26  -0.514   4.111   7.521
  686    HG   LEU  26           HG       LEU  26  -1.857   4.886  10.094
  687   1HD1  LEU  26          1HD1      LEU  26  -0.841   7.043   9.490
  688   2HD1  LEU  26          2HD1      LEU  26  -1.578   6.943   7.874
  689   3HD1  LEU  26          3HD1      LEU  26  -2.602   7.070   9.323
  690   1HD2  LEU  26          1HD2      LEU  26  -2.769   4.750   7.185
  691   2HD2  LEU  26          2HD2      LEU  26  -2.994   3.503   8.442
  692   3HD2  LEU  26          3HD2      LEU  26  -3.824   5.065   8.576
  693    HA   PRO  27           HA       PRO  27   0.057  -0.643   9.215
  694   1HB   PRO  27          1HB       PRO  27  -2.264  -1.631  10.265
  695   2HB   PRO  27          2HB       PRO  27  -0.872  -1.132  11.265
  696   1HG   PRO  27          1HG       PRO  27  -3.380   0.449  10.650
  697   2HG   PRO  27          2HG       PRO  27  -2.565   0.242  12.225
  698   1HD   PRO  27          1HD       PRO  27  -2.198   2.456  10.636
  699   2HD   PRO  27          2HD       PRO  27  -0.896   1.809  11.679
  700    H    VAL  28           H        VAL  28  -2.922   1.223   8.523
  701    HA   VAL  28           HA       VAL  28  -4.150  -0.322   6.572
  702    HB   VAL  28           HB       VAL  28  -3.719   2.641   6.512
  703   1HG1  VAL  28          1HG1      VAL  28  -4.385   1.941   4.314
  704   2HG1  VAL  28          2HG1      VAL  28  -5.717   0.959   4.969
  705   3HG1  VAL  28          3HG1      VAL  28  -5.750   2.733   5.083
  706   1HG2  VAL  28          1HG2      VAL  28  -6.087   1.006   7.524
  707   2HG2  VAL  28          2HG2      VAL  28  -4.984   1.971   8.540
  708   3HG2  VAL  28          3HG2      VAL  28  -6.059   2.772   7.384
  709    H    LEU  29           H        LEU  29  -1.046   1.416   6.360
  710    HA   LEU  29           HA       LEU  29  -0.935   1.468   3.544
  711   1HB   LEU  29          1HB       LEU  29   0.667   2.401   5.634
  712   2HB   LEU  29          2HB       LEU  29   1.663   1.141   4.893
  713    HG   LEU  29           HG       LEU  29   0.380   3.556   3.574
  714   1HD1  LEU  29          1HD1      LEU  29   2.497   3.723   5.021
  715   2HD1  LEU  29          2HD1      LEU  29   3.347   2.867   3.731
  716   3HD1  LEU  29          3HD1      LEU  29   2.558   4.414   3.373
  717   1HD2  LEU  29          1HD2      LEU  29   2.229   1.531   2.241
  718   2HD2  LEU  29          2HD2      LEU  29   0.487   1.607   1.917
  719   3HD2  LEU  29          3HD2      LEU  29   1.474   3.015   1.565
  720    H    ALA  30           H        ALA  30   0.218  -0.961   5.954
  721    HA   ALA  30           HA       ALA  30   1.479  -2.665   3.899
  722   1HB   ALA  30          1HB       ALA  30   2.033  -2.706   6.417
  723   2HB   ALA  30          2HB       ALA  30   0.458  -3.491   6.659
  724   3HB   ALA  30          3HB       ALA  30   1.702  -4.278   5.664
  725    H    LYS  31           H        LYS  31  -1.784  -2.159   5.147
  726    HA   LYS  31           HA       LYS  31  -2.713  -4.702   4.042
  727   1HB   LYS  31          1HB       LYS  31  -3.641  -2.994   5.974
  728   2HB   LYS  31          2HB       LYS  31  -4.669  -2.499   4.620
  729   1HG   LYS  31          1HG       LYS  31  -5.425  -4.823   4.340
  730   2HG   LYS  31          2HG       LYS  31  -4.248  -5.390   5.549
  731   1HD   LYS  31          1HD       LYS  31  -5.337  -3.988   7.287
  732   2HD   LYS  31          2HD       LYS  31  -6.539  -3.461   6.101
  733   1HE   LYS  31          1HE       LYS  31  -7.801  -5.253   6.609
  734   2HE   LYS  31          2HE       LYS  31  -6.559  -6.310   5.934
  735   1HZ   LYS  31          1HZ       LYS  31  -5.999  -6.966   7.936
  736   2HZ   LYS  31          2HZ       LYS  31  -5.951  -5.448   8.574
  737   3HZ   LYS  31          3HZ       LYS  31  -7.380  -6.257   8.481
  738    H    ILE  32           H        ILE  32  -2.850  -1.341   3.085
  739    HA   ILE  32           HA       ILE  32  -4.204  -1.572   0.588
  740    HB   ILE  32           HB       ILE  32  -2.146   0.389   1.709
  741   1HG1  ILE  32          2HG1      ILE  32  -5.093   0.601   0.933
  742   2HG1  ILE  32          3HG1      ILE  32  -4.466   0.439   2.558
  743   1HG2  ILE  32          1HG2      ILE  32  -1.585   0.376  -0.613
  744   2HG2  ILE  32          2HG2      ILE  32  -3.287   0.254  -1.073
  745   3HG2  ILE  32          3HG2      ILE  32  -2.630   1.766  -0.407
  746   1HD1  ILE  32          1HD1      ILE  32  -3.241   2.649   2.224
  747   2HD1  ILE  32          2HD1      ILE  32  -4.141   2.837   0.698
  748   3HD1  ILE  32          3HD1      ILE  32  -5.015   2.749   2.219
  749    H    LEU  33           H        LEU  33  -0.698  -1.722   1.455
  750    HA   LEU  33           HA       LEU  33  -0.037  -1.949  -1.157
  751   1HB   LEU  33          1HB       LEU  33   2.223  -2.303  -0.546
  752   2HB   LEU  33          2HB       LEU  33   1.451  -1.308   0.701
  753    HG   LEU  33           HG       LEU  33   1.173  -3.388   1.999
  754   1HD1  LEU  33          1HD1      LEU  33   1.610  -5.375   1.145
  755   2HD1  LEU  33          2HD1      LEU  33   2.337  -4.663  -0.308
  756   3HD1  LEU  33          3HD1      LEU  33   3.320  -4.956   1.140
  757   1HD2  LEU  33          1HD2      LEU  33   3.970  -2.472   1.303
  758   2HD2  LEU  33          2HD2      LEU  33   2.841  -1.628   2.390
  759   3HD2  LEU  33          3HD2      LEU  33   3.474  -3.220   2.852
  760    H    GLU  34           H        GLU  34  -0.827  -4.398   1.260
  761    HA   GLU  34           HA       GLU  34  -0.044  -6.755  -0.075
  762   1HB   GLU  34          1HB       GLU  34  -0.784  -6.369   2.360
  763   2HB   GLU  34          2HB       GLU  34  -2.436  -6.520   1.802
  764   1HG   GLU  34          1HG       GLU  34  -1.994  -8.812   1.054
  765   2HG   GLU  34          2HG       GLU  34  -0.251  -8.600   1.291
  766    H    ASP  35           H        ASP  35  -3.087  -5.003   0.046
  767    HA   ASP  35           HA       ASP  35  -4.690  -6.575  -1.646
  768   1HB   ASP  35          1HB       ASP  35  -5.154  -4.323  -0.303
  769   2HB   ASP  35          2HB       ASP  35  -4.774  -3.558  -1.846
  770    H    GLU  36           H        GLU  36  -2.484  -3.867  -2.500
  771    HA   GLU  36           HA       GLU  36  -2.744  -4.134  -5.295
  772   1HB   GLU  36          1HB       GLU  36  -0.307  -3.142  -3.771
  773   2HB   GLU  36          2HB       GLU  36  -0.656  -2.913  -5.485
  774   1HG   GLU  36          1HG       GLU  36  -2.980  -1.959  -4.177
  775   2HG   GLU  36          2HG       GLU  36  -1.677  -1.470  -3.097
  776    H    GLU  37           H        GLU  37  -0.256  -5.643  -3.172
  777    HA   GLU  37           HA       GLU  37   1.194  -7.087  -4.948
  778   1HB   GLU  37          1HB       GLU  37   0.866  -7.002  -2.220
  779   2HB   GLU  37          2HB       GLU  37   0.293  -8.634  -2.547
  780   1HG   GLU  37          1HG       GLU  37   2.922  -7.642  -3.714
  781   2HG   GLU  37          2HG       GLU  37   2.787  -8.028  -2.002
  782    H    LYS  38           H        LYS  38  -2.105  -7.933  -3.882
  783    HA   LYS  38           HA       LYS  38  -2.091 -10.432  -5.361
  784   1HB   LYS  38          1HB       LYS  38  -3.418  -9.915  -3.331
  785   2HB   LYS  38          2HB       LYS  38  -4.408  -8.791  -4.267
  786   1HG   LYS  38          1HG       LYS  38  -5.451 -10.513  -5.528
  787   2HG   LYS  38          2HG       LYS  38  -4.018 -11.525  -5.484
  788   1HD   LYS  38          1HD       LYS  38  -5.209 -12.838  -4.170
  789   2HD   LYS  38          2HD       LYS  38  -4.618 -11.775  -2.891
  790   1HE   LYS  38          1HE       LYS  38  -6.735 -10.476  -2.999
  791   2HE   LYS  38          2HE       LYS  38  -7.298 -11.478  -4.351
  792   1HZ   LYS  38          1HZ       LYS  38  -7.321 -13.358  -2.968
  793   2HZ   LYS  38          2HZ       LYS  38  -6.641 -12.548  -1.706
  794   3HZ   LYS  38          3HZ       LYS  38  -8.167 -12.169  -2.203
  795    H    HIS  39           H        HIS  39  -3.469  -7.193  -6.012
  796    HA   HIS  39           HA       HIS  39  -4.639  -7.820  -8.545
  797   1HB   HIS  39          1HB       HIS  39  -3.590  -5.351  -7.188
  798   2HB   HIS  39          2HB       HIS  39  -3.917  -5.273  -8.912
  799    HD1  HIS  39           HD1      HIS  39  -6.529  -6.156  -9.565
  800    HD2  HIS  39           HD2      HIS  39  -5.693  -4.977  -5.614
  801    HE1  HIS  39           HE1      HIS  39  -8.800  -5.746  -8.443
  802    HE2  HIS  39           HE2      HIS  39  -8.277  -5.036  -6.026
  803    H    ILE  40           H        ILE  40  -1.312  -7.156  -7.602
  804    HA   ILE  40           HA       ILE  40  -0.257  -7.109 -10.315
  805    HB   ILE  40           HB       ILE  40   1.123  -7.439  -7.624
  806   1HG1  ILE  40          2HG1      ILE  40   0.871  -4.945  -9.318
  807   2HG1  ILE  40          3HG1      ILE  40  -0.315  -5.258  -8.113
  808   1HG2  ILE  40          1HG2      ILE  40   2.588  -8.178  -9.451
  809   2HG2  ILE  40          2HG2      ILE  40   2.179  -6.742 -10.407
  810   3HG2  ILE  40          3HG2      ILE  40   3.136  -6.592  -8.926
  811   1HD1  ILE  40          1HD1      ILE  40   1.228  -5.369  -6.309
  812   2HD1  ILE  40          2HD1      ILE  40   2.624  -5.142  -7.346
  813   3HD1  ILE  40          3HD1      ILE  40   1.429  -3.833  -7.162
  814    H    GLU  41           H        GLU  41  -0.529  -9.490  -7.646
  815    HA   GLU  41           HA       GLU  41   0.953 -11.551  -8.733
  816   1HB   GLU  41          1HB       GLU  41  -0.162 -11.518  -6.476
  817   2HB   GLU  41          2HB       GLU  41  -1.683 -11.947  -7.286
  818   1HG   GLU  41          1HG       GLU  41   0.358 -13.759  -8.216
  819   2HG   GLU  41          2HG       GLU  41   0.518 -13.625  -6.465
  820    H    TRP  42           H        TRP  42  -2.399 -10.522  -9.616
  821    HA   TRP  42           HA       TRP  42  -3.088 -12.619 -11.246
  822   1HB   TRP  42          1HB       TRP  42  -4.323 -10.447 -10.611
  823   2HB   TRP  42          2HB       TRP  42  -3.601  -9.766 -12.051
  824    HD1  TRP  42           HD1      TRP  42  -5.920 -12.623 -11.036
  825    HE1  TRP  42           HE1      TRP  42  -6.768 -13.826 -13.435
  826    HE3  TRP  42           HE3      TRP  42  -3.491 -10.028 -14.566
  827    HZ2  TRP  42           HZ2      TRP  42  -7.135 -13.147 -15.924
  828    HZ3  TRP  42           HZ3      TRP  42  -4.008 -10.390 -17.017
  829    HH2  TRP  42           HH2      TRP  42  -5.820 -11.976 -17.684
  830    H    LEU  43           H        LEU  43  -0.855  -9.987 -11.928
  831    HA   LEU  43           HA       LEU  43  -0.408 -10.719 -14.736
  832   1HB   LEU  43          1HB       LEU  43   1.139  -8.820 -12.929
  833   2HB   LEU  43          2HB       LEU  43   1.461  -9.148 -14.625
  834    HG   LEU  43           HG       LEU  43  -1.275  -8.551 -14.666
  835   1HD1  LEU  43          1HD1      LEU  43  -1.290  -7.696 -12.383
  836   2HD1  LEU  43          2HD1      LEU  43   0.132  -6.690 -12.696
  837   3HD1  LEU  43          3HD1      LEU  43  -1.395  -6.331 -13.508
  838   1HD2  LEU  43          1HD2      LEU  43   1.173  -6.844 -15.150
  839   2HD2  LEU  43          2HD2      LEU  43   0.318  -7.834 -16.345
  840   3HD2  LEU  43          3HD2      LEU  43  -0.478  -6.398 -15.676
  841    H    GLU  44           H        GLU  44   1.200 -11.342 -11.590
  842    HA   GLU  44           HA       GLU  44   3.255 -13.038 -12.875
  843   1HB   GLU  44          1HB       GLU  44   2.640 -12.184 -10.048
  844   2HB   GLU  44          2HB       GLU  44   3.483 -13.694 -10.256
  845   1HG   GLU  44          1HG       GLU  44   4.982 -12.090 -11.914
  846   2HG   GLU  44          2HG       GLU  44   4.479 -10.986 -10.615
  847    H    THR  45           H        THR  45   0.351 -13.730 -13.347
  848    HA   THR  45           HA       THR  45   0.803 -16.597 -12.798
  849    HB   THR  45           HB       THR  45  -0.440 -15.313 -10.862
  850    HG1  THR  45           HG1      THR  45  -0.080 -17.495 -10.839
  851   1HG2  THR  45          1HG2      THR  45  -2.214 -14.363 -12.172
  852   2HG2  THR  45          2HG2      THR  45  -2.851 -15.984 -12.521
  853   3HG2  THR  45          3HG2      THR  45  -2.785 -15.370 -10.849
  854    H    ILE  46           H        ILE  46  -1.329 -14.158 -14.068
  855    HA   ILE  46           HA       ILE  46  -2.815 -14.135 -15.761
  856    HB   ILE  46           HB       ILE  46  -0.773 -13.289 -16.636
  857   1HG1  ILE  46          2HG1      ILE  46  -1.022 -13.509 -19.023
  858   2HG1  ILE  46          3HG1      ILE  46  -2.067 -14.916 -18.861
  859   1HG2  ILE  46          1HG2      ILE  46   0.818 -15.026 -16.315
  860   2HG2  ILE  46          2HG2      ILE  46  -0.020 -16.105 -17.456
  861   3HG2  ILE  46          3HG2      ILE  46   0.787 -14.630 -18.028
  862   1HD1  ILE  46          1HD1      ILE  46  -3.751 -13.551 -17.698
  863   2HD1  ILE  46          2HD1      ILE  46  -2.624 -12.166 -17.694
  864   3HD1  ILE  46          3HD1      ILE  46  -3.300 -12.768 -19.223
  865    H    LEU  47           H        LEU  47  -3.560 -16.196 -14.450
  866    HA   LEU  47           HA       LEU  47  -3.677 -18.569 -16.225
  867   1HB   LEU  47          1HB       LEU  47  -3.003 -18.236 -13.545
  868   2HB   LEU  47          2HB       LEU  47  -4.632 -18.865 -13.419
  869    HG   LEU  47           HG       LEU  47  -2.702 -20.212 -15.336
  870   1HD1  LEU  47          1HD1      LEU  47  -1.297 -19.802 -13.408
  871   2HD1  LEU  47          2HD1      LEU  47  -2.508 -20.522 -12.328
  872   3HD1  LEU  47          3HD1      LEU  47  -1.690 -21.523 -13.554
  873   1HD2  LEU  47          1HD2      LEU  47  -4.374 -21.712 -13.358
  874   2HD2  LEU  47          2HD2      LEU  47  -5.252 -20.840 -14.630
  875   3HD2  LEU  47          3HD2      LEU  47  -4.037 -22.055 -15.065
  876    H    GLY  48           H        GLY  48  -5.171 -17.726 -17.653
  877   1HA   GLY  48          1HA       GLY  48  -7.997 -17.727 -16.701
  878   2HA   GLY  48          2HA       GLY  48  -7.390 -16.405 -17.723
  879   1HN   NH2  49          1HN       NH2  49  -9.462 -17.842 -18.743
  880   2HN   NH2  49          2HN       NH2  49  -8.895 -18.940 -20.029
  Start of MODEL    6
    1   1H    ACE   0          H1        ACE   0   2.350 -16.481   2.205
    2   2H    ACE   0          H2        ACE   0   3.834 -17.310   1.681
    3   3H    ACE   0          H3        ACE   0   2.534 -16.985   0.513
    4    H    ASP   1           H        ASP   1   5.054 -15.548   2.477
    5    HA   ASP   1           HA       ASP   1   4.848 -12.964   2.657
    6   1HB   ASP   1          1HB       ASP   1   6.832 -14.290   3.273
    7   2HB   ASP   1          2HB       ASP   1   7.324 -14.399   1.579
    8    H    TYR   2           H        TYR   2   6.319 -14.238  -0.334
    9    HA   TYR   2           HA       TYR   2   6.669 -11.798  -1.639
   10   1HB   TYR   2          1HB       TYR   2   6.323 -14.660  -2.602
   11   2HB   TYR   2          2HB       TYR   2   6.686 -13.320  -3.660
   12    HD1  TYR   2           HD1      TYR   2   8.515 -12.721  -0.628
   13    HD2  TYR   2           HD2      TYR   2   8.499 -14.836  -4.356
   14    HE1  TYR   2           HE1      TYR   2  10.839 -13.482  -0.195
   15    HE2  TYR   2           HE2      TYR   2  10.896 -15.453  -4.019
   16    HH   TYR   2           HH       TYR   2  12.760 -14.981  -2.732
   17    H    LEU   3           H        LEU   3   3.668 -13.580  -1.351
   18    HA   LEU   3           HA       LEU   3   2.486 -11.743  -3.321
   19   1HB   LEU   3          1HB       LEU   3   1.552 -14.564  -2.626
   20   2HB   LEU   3          2HB       LEU   3   0.816 -13.525  -3.850
   21    HG   LEU   3           HG       LEU   3   3.685 -14.563  -4.036
   22   1HD1  LEU   3          1HD1      LEU   3   2.121 -16.454  -4.014
   23   2HD1  LEU   3          2HD1      LEU   3   1.152 -15.687  -5.293
   24   3HD1  LEU   3          3HD1      LEU   3   2.813 -16.220  -5.629
   25   1HD2  LEU   3          1HD2      LEU   3   1.849 -13.482  -6.219
   26   2HD2  LEU   3          2HD2      LEU   3   3.092 -12.509  -5.407
   27   3HD2  LEU   3          3HD2      LEU   3   3.560 -13.922  -6.362
   28    H    ARG   4           H        ARG   4   2.216 -13.080  -0.111
   29    HA   ARG   4           HA       ARG   4  -0.259 -11.776   0.511
   30   1HB   ARG   4          1HB       ARG   4   2.241 -12.217   2.175
   31   2HB   ARG   4          2HB       ARG   4   0.711 -11.623   2.826
   32   1HG   ARG   4          1HG       ARG   4   1.037 -14.326   1.423
   33   2HG   ARG   4          2HG       ARG   4   1.131 -14.070   3.165
   34   1HD   ARG   4          1HD       ARG   4  -1.073 -14.794   2.882
   35   2HD   ARG   4          2HD       ARG   4  -1.233 -13.047   2.988
   36    HE   ARG   4           HE       ARG   4  -1.997 -12.979   0.824
   37   1HH1  ARG   4          1HH2      ARG   4  -0.427 -16.095   1.320
   38   2HH1  ARG   4          2HH2      ARG   4  -1.025 -16.800  -0.157
   39   1HH2  ARG   4          1HH1      ARG   4  -2.750 -13.853  -1.139
   40   2HH2  ARG   4          2HH1      ARG   4  -2.365 -15.487  -1.589
   41    H    GLU   5           H        GLU   5   3.062 -10.556   0.036
   42    HA   GLU   5           HA       GLU   5   2.117  -7.877   0.938
   43   1HB   GLU   5          1HB       GLU   5   4.955  -8.755   0.314
   44   2HB   GLU   5          2HB       GLU   5   4.402  -7.180   0.892
   45   1HG   GLU   5          1HG       GLU   5   3.255  -8.535   2.829
   46   2HG   GLU   5          2HG       GLU   5   4.355  -9.840   2.353
   47    H    LEU   6           H        LEU   6   2.981  -9.586  -2.022
   48    HA   LEU   6           HA       LEU   6   2.588  -7.025  -3.537
   49   1HB   LEU   6          1HB       LEU   6   4.161  -9.443  -4.431
   50   2HB   LEU   6          2HB       LEU   6   3.967  -7.889  -5.214
   51    HG   LEU   6           HG       LEU   6   5.104  -6.923  -2.951
   52   1HD1  LEU   6          1HD1      LEU   6   5.135  -9.362  -1.942
   53   2HD1  LEU   6          2HD1      LEU   6   6.451  -9.620  -3.087
   54   3HD1  LEU   6          3HD1      LEU   6   6.565  -8.353  -1.840
   55   1HD2  LEU   6          1HD2      LEU   6   6.605  -8.349  -5.142
   56   2HD2  LEU   6          2HD2      LEU   6   5.864  -6.741  -5.250
   57   3HD2  LEU   6          3HD2      LEU   6   7.149  -7.004  -4.079
   58    H    LEU   7           H        LEU   7   0.412  -8.820  -2.585
   59    HA   LEU   7           HA       LEU   7  -0.907  -8.784  -5.088
   60   1HB   LEU   7          1HB       LEU   7   0.241 -11.077  -5.147
   61   2HB   LEU   7          2HB       LEU   7  -0.748 -11.538  -3.761
   62    HG   LEU   7           HG       LEU   7  -2.806 -11.234  -5.007
   63   1HD1  LEU   7          1HD1      LEU   7  -2.680  -9.751  -6.731
   64   2HD1  LEU   7          2HD1      LEU   7  -0.940  -9.976  -6.941
   65   3HD1  LEU   7          3HD1      LEU   7  -2.051 -11.109  -7.671
   66   1HD2  LEU   7          1HD2      LEU   7  -0.632 -12.993  -6.192
   67   2HD2  LEU   7          2HD2      LEU   7  -1.691 -13.388  -4.842
   68   3HD2  LEU   7          3HD2      LEU   7  -2.373 -13.238  -6.457
   69    H    LYS   8           H        LYS   8  -1.165 -10.321  -1.851
   70    HA   LYS   8           HA       LYS   8  -3.920  -9.848  -1.729
   71   1HB   LYS   8          1HB       LYS   8  -2.657 -11.520  -0.364
   72   2HB   LYS   8          2HB       LYS   8  -2.095 -10.181   0.665
   73   1HG   LYS   8          1HG       LYS   8  -4.512  -9.568   1.051
   74   2HG   LYS   8          2HG       LYS   8  -4.980 -11.045   0.187
   75   1HD   LYS   8          1HD       LYS   8  -3.878 -12.436   1.856
   76   2HD   LYS   8          2HD       LYS   8  -3.136 -11.020   2.624
   77   1HE   LYS   8          1HE       LYS   8  -4.960 -10.585   3.872
   78   2HE   LYS   8          2HE       LYS   8  -6.039 -10.650   2.475
   79   1HZ   LYS   8          1HZ       LYS   8  -6.109 -13.007   2.671
   80   2HZ   LYS   8          2HZ       LYS   8  -5.095 -12.983   3.972
   81   3HZ   LYS   8          3HZ       LYS   8  -6.589 -12.293   4.076
   82    H    LEU   9           H        LEU   9  -1.138  -8.005  -0.482
   83    HA   LEU   9           HA       LEU   9  -2.689  -5.786   0.553
   84   1HB   LEU   9          1HB       LEU   9   0.160  -5.918  -0.488
   85   2HB   LEU   9          2HB       LEU   9  -0.567  -4.462   0.181
   86    HG   LEU   9           HG       LEU   9  -0.112  -7.054   1.710
   87   1HD1  LEU   9          1HD1      LEU   9   1.932  -5.621   1.161
   88   2HD1  LEU   9          2HD1      LEU   9   1.175  -4.314   2.076
   89   3HD1  LEU   9          3HD1      LEU   9   1.610  -5.833   2.889
   90   1HD2  LEU   9          1HD2      LEU   9  -1.293  -4.383   2.594
   91   2HD2  LEU   9          2HD2      LEU   9  -2.085  -5.976   2.657
   92   3HD2  LEU   9          3HD2      LEU   9  -0.712  -5.634   3.710
   93    H    GLU  10           H        GLU  10  -1.190  -6.490  -2.668
   94    HA   GLU  10           HA       GLU  10  -1.840  -4.105  -3.877
   95   1HB   GLU  10          1HB       GLU  10  -1.932  -6.791  -5.230
   96   2HB   GLU  10          2HB       GLU  10  -1.822  -5.196  -5.941
   97   1HG   GLU  10          1HG       GLU  10   0.320  -6.442  -4.225
   98   2HG   GLU  10          2HG       GLU  10   0.385  -6.264  -5.978
   99    H    LEU  11           H        LEU  11  -3.951  -6.927  -3.427
  100    HA   LEU  11           HA       LEU  11  -6.199  -5.949  -4.924
  101   1HB   LEU  11          1HB       LEU  11  -5.809  -7.880  -2.629
  102   2HB   LEU  11          2HB       LEU  11  -7.449  -7.363  -2.996
  103    HG   LEU  11           HG       LEU  11  -5.687  -8.348  -5.249
  104   1HD1  LEU  11          1HD1      LEU  11  -5.454 -10.096  -3.579
  105   2HD1  LEU  11          2HD1      LEU  11  -7.206 -10.104  -3.273
  106   3HD1  LEU  11          3HD1      LEU  11  -6.566 -10.647  -4.841
  107   1HD2  LEU  11          1HD2      LEU  11  -8.688  -8.554  -4.673
  108   2HD2  LEU  11          2HD2      LEU  11  -7.942  -7.313  -5.699
  109   3HD2  LEU  11          3HD2      LEU  11  -7.871  -9.018  -6.179
  110    H    GLN  12           H        GLN  12  -5.307  -5.419  -1.470
  111    HA   GLN  12           HA       GLN  12  -7.576  -3.868  -0.838
  112   1HB   GLN  12          1HB       GLN  12  -5.897  -4.957   0.735
  113   2HB   GLN  12          2HB       GLN  12  -4.742  -3.694   0.315
  114   1HG   GLN  12          1HG       GLN  12  -7.289  -2.510   1.136
  115   2HG   GLN  12          2HG       GLN  12  -6.699  -3.674   2.321
  116   1HE2  GLN  12          2HE2      GLN  12  -5.380  -0.977   0.269
  117   2HE2  GLN  12          1HE2      GLN  12  -4.292  -0.402   1.527
  118    H    LEU  13           H        LEU  13  -4.725  -3.021  -2.728
  119    HA   LEU  13           HA       LEU  13  -4.963  -0.147  -2.278
  120   1HB   LEU  13          1HB       LEU  13  -3.621  -1.583  -4.580
  121   2HB   LEU  13          2HB       LEU  13  -3.359   0.074  -4.058
  122    HG   LEU  13           HG       LEU  13  -2.734  -2.330  -2.302
  123   1HD1  LEU  13          1HD1      LEU  13  -1.557  -2.170  -4.619
  124   2HD1  LEU  13          2HD1      LEU  13  -0.817  -0.753  -3.958
  125   3HD1  LEU  13          3HD1      LEU  13  -0.575  -2.337  -3.159
  126   1HD2  LEU  13          1HD2      LEU  13  -1.736   0.544  -2.141
  127   2HD2  LEU  13          2HD2      LEU  13  -3.065  -0.090  -1.156
  128   3HD2  LEU  13          3HD2      LEU  13  -1.462  -0.772  -0.969
  129    H    ILE  14           H        ILE  14  -5.645  -2.453  -4.947
  130    HA   ILE  14           HA       ILE  14  -6.952  -0.589  -6.670
  131    HB   ILE  14           HB       ILE  14  -7.425  -3.601  -6.217
  132   1HG1  ILE  14          1HG1      ILE  14  -5.144  -3.311  -6.791
  133   2HG1  ILE  14          2HG1      ILE  14  -5.964  -3.828  -8.249
  134   1HG2  ILE  14          1HG2      ILE  14  -9.322  -2.706  -7.453
  135   2HG2  ILE  14          2HG2      ILE  14  -8.256  -1.823  -8.555
  136   3HG2  ILE  14          3HG2      ILE  14  -8.283  -3.595  -8.567
  137   1HD1  ILE  14          1HD1      ILE  14  -6.086  -1.310  -8.877
  138   2HD1  ILE  14          2HD1      ILE  14  -4.946  -1.054  -7.532
  139   3HD1  ILE  14          3HD1      ILE  14  -4.493  -2.074  -8.901
  140    H    LYS  15           H        LYS  15  -8.212  -2.647  -4.166
  141    HA   LYS  15           HA       LYS  15 -10.897  -1.746  -4.195
  142   1HB   LYS  15          1HB       LYS  15  -9.553  -3.608  -2.737
  143   2HB   LYS  15          2HB       LYS  15  -9.648  -2.345  -1.528
  144   1HG   LYS  15          1HG       LYS  15 -11.466  -3.886  -1.270
  145   2HG   LYS  15          2HG       LYS  15 -12.172  -2.368  -1.847
  146   1HD   LYS  15          1HD       LYS  15 -12.577  -3.255  -4.021
  147   2HD   LYS  15          2HD       LYS  15 -11.368  -4.539  -3.833
  148   1HE   LYS  15          1HE       LYS  15 -12.767  -5.753  -2.275
  149   2HE   LYS  15          2HE       LYS  15 -13.948  -4.428  -2.211
  150   1HZ   LYS  15          1HZ       LYS  15 -14.441  -4.812  -4.495
  151   2HZ   LYS  15          2HZ       LYS  15 -13.300  -5.998  -4.610
  152   3HZ   LYS  15          3HZ       LYS  15 -14.623  -6.216  -3.653
  153    H    GLN  16           H        GLN  16  -8.156  -0.450  -2.224
  154    HA   GLN  16           HA       GLN  16  -9.723   1.640  -1.010
  155   1HB   GLN  16          1HB       GLN  16  -6.742   1.167  -1.380
  156   2HB   GLN  16          2HB       GLN  16  -7.322   2.702  -0.749
  157   1HG   GLN  16          1HG       GLN  16  -8.045   0.025   0.503
  158   2HG   GLN  16          2HG       GLN  16  -6.721   1.067   1.048
  159   1HE2  GLN  16          2HE2      GLN  16  -7.429   3.463   1.506
  160   2HE2  GLN  16          1HE2      GLN  16  -8.980   3.628   2.307
  161    H    TYR  17           H        TYR  17  -8.034   1.411  -4.068
  162    HA   TYR  17           HA       TYR  17  -7.974   4.234  -4.639
  163   1HB   TYR  17          1HB       TYR  17  -7.341   1.667  -6.026
  164   2HB   TYR  17          2HB       TYR  17  -8.060   2.840  -7.058
  165    HD1  TYR  17           HD1      TYR  17  -7.026   4.930  -7.693
  166    HD2  TYR  17           HD2      TYR  17  -5.031   1.992  -5.252
  167    HE1  TYR  17           HE1      TYR  17  -4.824   5.909  -8.301
  168    HE2  TYR  17           HE2      TYR  17  -2.865   2.860  -5.980
  169    HH   TYR  17           HH       TYR  17  -1.743   4.527  -7.119
  170    H    ARG  18           H        ARG  18 -10.378   1.687  -4.878
  171    HA   ARG  18           HA       ARG  18 -12.115   3.274  -6.659
  172   1HB   ARG  18          1HB       ARG  18 -12.688   0.670  -5.208
  173   2HB   ARG  18          2HB       ARG  18 -13.816   1.545  -6.256
  174   1HG   ARG  18          1HG       ARG  18 -12.059   1.434  -8.102
  175   2HG   ARG  18          2HG       ARG  18 -11.141   0.358  -7.055
  176   1HD   ARG  18          1HD       ARG  18 -12.296  -1.083  -8.454
  177   2HD   ARG  18          2HD       ARG  18 -13.303  -1.101  -6.987
  178    HE   ARG  18           HE       ARG  18 -14.341   0.953  -8.543
  179   1HH1  ARG  18          1HH2      ARG  18 -13.826  -2.502  -8.977
  180   2HH1  ARG  18          2HH2      ARG  18 -14.949  -2.669 -10.298
  181   1HH2  ARG  18          1HH1      ARG  18 -15.800   0.787 -10.285
  182   2HH2  ARG  18          2HH1      ARG  18 -16.116  -0.746 -11.048
  183    H    GLU  19           H        GLU  19 -11.815   2.346  -3.295
  184    HA   GLU  19           HA       GLU  19 -14.059   3.733  -2.278
  185   1HB   GLU  19          1HB       GLU  19 -12.458   2.159  -1.000
  186   2HB   GLU  19          2HB       GLU  19 -11.430   3.590  -0.792
  187   1HG   GLU  19          1HG       GLU  19 -13.403   4.782   0.232
  188   2HG   GLU  19          2HG       GLU  19 -14.326   3.277   0.100
  189    H    ALA  20           H        ALA  20 -10.690   4.935  -2.878
  190    HA   ALA  20           HA       ALA  20 -11.519   7.591  -1.875
  191   1HB   ALA  20          1HB       ALA  20  -9.304   6.700  -1.373
  192   2HB   ALA  20          2HB       ALA  20  -8.904   6.718  -3.103
  193   3HB   ALA  20          3HB       ALA  20  -9.262   8.245  -2.233
  194    H    LEU  21           H        LEU  21 -11.089   6.094  -5.073
  195    HA   LEU  21           HA       LEU  21 -11.085   8.204  -6.817
  196   1HB   LEU  21          1HB       LEU  21 -11.095   6.058  -7.725
  197   2HB   LEU  21          2HB       LEU  21 -12.479   5.557  -6.755
  198    HG   LEU  21           HG       LEU  21 -14.016   6.870  -8.170
  199   1HD1  LEU  21          1HD1      LEU  21 -12.353   8.554  -9.051
  200   2HD1  LEU  21          2HD1      LEU  21 -11.584   7.247  -9.966
  201   3HD1  LEU  21          3HD1      LEU  21 -13.252   7.721 -10.330
  202   1HD2  LEU  21          1HD2      LEU  21 -12.228   4.807  -9.488
  203   2HD2  LEU  21          2HD2      LEU  21 -13.672   4.499  -8.512
  204   3HD2  LEU  21          3HD2      LEU  21 -13.834   5.297 -10.086
  205    H    GLU  22           H        GLU  22 -14.004   7.025  -5.087
  206    HA   GLU  22           HA       GLU  22 -15.779   8.865  -6.448
  207   1HB   GLU  22          1HB       GLU  22 -17.389   8.273  -4.622
  208   2HB   GLU  22          2HB       GLU  22 -16.862   6.961  -5.687
  209   1HG   GLU  22          1HG       GLU  22 -15.435   6.021  -4.043
  210   2HG   GLU  22          2HG       GLU  22 -15.525   7.482  -3.035
  211    H    TYR  23           H        TYR  23 -13.933   9.007  -3.422
  212    HA   TYR  23           HA       TYR  23 -15.055  11.517  -2.533
  213   1HB   TYR  23          1HB       TYR  23 -12.680   9.773  -1.824
  214   2HB   TYR  23          2HB       TYR  23 -12.760  11.407  -1.259
  215    HD1  TYR  23           HD1      TYR  23 -14.474   8.115  -1.167
  216    HD2  TYR  23           HD2      TYR  23 -14.263  12.053   0.549
  217    HE1  TYR  23           HE1      TYR  23 -16.000   7.399   0.630
  218    HE2  TYR  23           HE2      TYR  23 -15.699  11.299   2.432
  219    HH   TYR  23           HH       TYR  23 -17.043   7.997   2.584
  220    H    VAL  24           H        VAL  24 -12.387  10.515  -4.654
  221    HA   VAL  24           HA       VAL  24 -11.275  13.220  -4.780
  222    HB   VAL  24           HB       VAL  24 -10.596  10.638  -6.216
  223   1HG1  VAL  24          1HG1      VAL  24  -9.957  12.433  -7.738
  224   2HG1  VAL  24          2HG1      VAL  24  -9.250  13.372  -6.408
  225   3HG1  VAL  24          3HG1      VAL  24  -8.501  11.852  -6.925
  226   1HG2  VAL  24          1HG2      VAL  24  -9.095  12.295  -4.135
  227   2HG2  VAL  24          2HG2      VAL  24 -10.028  10.843  -3.748
  228   3HG2  VAL  24          3HG2      VAL  24  -8.602  10.720  -4.789
  229    H    LYS  25           H        LYS  25 -13.523  11.359  -6.761
  230    HA   LYS  25           HA       LYS  25 -14.789  11.889  -8.561
  231   1HB   LYS  25          1HB       LYS  25 -14.379  14.752  -7.619
  232   2HB   LYS  25          2HB       LYS  25 -15.584  14.213  -8.795
  233   1HG   LYS  25          1HG       LYS  25 -16.644  12.779  -7.066
  234   2HG   LYS  25          2HG       LYS  25 -15.445  13.318  -5.887
  235   1HD   LYS  25          1HD       LYS  25 -16.659  15.131  -5.410
  236   2HD   LYS  25          2HD       LYS  25 -16.494  15.704  -7.073
  237   1HE   LYS  25          1HE       LYS  25 -18.501  14.336  -7.718
  238   2HE   LYS  25          2HE       LYS  25 -18.682  13.852  -6.019
  239   1HZ   LYS  25          1HZ       LYS  25 -18.960  16.159  -5.461
  240   2HZ   LYS  25          2HZ       LYS  25 -18.790  16.606  -7.038
  241   3HZ   LYS  25          3HZ       LYS  25 -20.084  15.697  -6.575
  242    H    LEU  26           H        LEU  26 -12.554  11.125  -9.594
  243    HA   LEU  26           HA       LEU  26 -12.133  12.935 -11.900
  244   1HB   LEU  26          1HB       LEU  26 -10.379  13.655 -10.384
  245   2HB   LEU  26          2HB       LEU  26 -10.020  11.974  -9.984
  246    HG   LEU  26           HG       LEU  26  -9.243  11.629 -12.331
  247   1HD1  LEU  26          1HD1      LEU  26 -10.124  13.767 -13.427
  248   2HD1  LEU  26          2HD1      LEU  26  -8.988  14.682 -12.424
  249   3HD1  LEU  26          3HD1      LEU  26  -8.383  13.546 -13.622
  250   1HD2  LEU  26          1HD2      LEU  26  -7.564  13.683 -10.864
  251   2HD2  LEU  26          2HD2      LEU  26  -7.789  12.044 -10.254
  252   3HD2  LEU  26          3HD2      LEU  26  -7.046  12.292 -11.830
  253    HA   PRO  27           HA       PRO  27 -12.600   8.686 -13.400
  254   1HB   PRO  27          1HB       PRO  27 -12.182   9.036 -16.099
  255   2HB   PRO  27          2HB       PRO  27 -13.701   9.444 -15.254
  256   1HG   PRO  27          1HG       PRO  27 -11.427  11.313 -15.965
  257   2HG   PRO  27          2HG       PRO  27 -13.176  11.564 -16.230
  258   1HD   PRO  27          1HD       PRO  27 -11.921  12.652 -14.103
  259   2HD   PRO  27          2HD       PRO  27 -13.555  11.965 -13.903
  260    H    VAL  28           H        VAL  28  -9.802  10.724 -14.354
  261    HA   VAL  28           HA       VAL  28  -7.989   8.793 -15.160
  262    HB   VAL  28           HB       VAL  28  -7.645  11.370 -13.739
  263   1HG1  VAL  28          1HG1      VAL  28  -5.828  10.101 -12.767
  264   2HG1  VAL  28          2HG1      VAL  28  -5.387   9.451 -14.370
  265   3HG1  VAL  28          3HG1      VAL  28  -5.173  11.169 -14.004
  266   1HG2  VAL  28          1HG2      VAL  28  -6.583  10.417 -16.408
  267   2HG2  VAL  28          2HG2      VAL  28  -8.069  11.378 -16.185
  268   3HG2  VAL  28          3HG2      VAL  28  -6.491  12.053 -15.745
  269    H    LEU  29           H        LEU  29  -9.121   9.332 -11.769
  270    HA   LEU  29           HA       LEU  29  -7.053   7.712 -10.554
  271   1HB   LEU  29          1HB       LEU  29  -9.668   8.948  -9.820
  272   2HB   LEU  29          2HB       LEU  29  -9.390   7.427  -9.036
  273    HG   LEU  29           HG       LEU  29  -8.707   9.791  -8.043
  274   1HD1  LEU  29          1HD1      LEU  29  -8.635   7.590  -6.895
  275   2HD1  LEU  29          2HD1      LEU  29  -7.032   7.310  -7.608
  276   3HD1  LEU  29          3HD1      LEU  29  -7.291   8.665  -6.477
  277   1HD2  LEU  29          1HD2      LEU  29  -5.967   8.919  -9.007
  278   2HD2  LEU  29          2HD2      LEU  29  -6.917  10.091  -9.931
  279   3HD2  LEU  29          3HD2      LEU  29  -6.459  10.436  -8.250
  280    H    ALA  30           H        ALA  30 -10.333   6.929 -11.779
  281    HA   ALA  30           HA       ALA  30 -10.143   4.263 -10.853
  282   1HB   ALA  30          1HB       ALA  30 -12.240   4.011 -11.723
  283   2HB   ALA  30          2HB       ALA  30 -12.179   5.770 -11.991
  284   3HB   ALA  30          3HB       ALA  30 -11.819   4.648 -13.312
  285    H    LYS  31           H        LYS  31  -9.106   6.086 -13.775
  286    HA   LYS  31           HA       LYS  31  -8.532   3.779 -15.457
  287   1HB   LYS  31          1HB       LYS  31  -8.633   6.643 -15.770
  288   2HB   LYS  31          2HB       LYS  31  -7.044   6.092 -16.318
  289   1HG   LYS  31          1HG       LYS  31  -8.056   4.500 -17.851
  290   2HG   LYS  31          2HG       LYS  31  -9.668   4.807 -17.169
  291   1HD   LYS  31          1HD       LYS  31  -9.551   7.166 -17.911
  292   2HD   LYS  31          2HD       LYS  31  -7.967   6.864 -18.660
  293   1HE   LYS  31          1HE       LYS  31  -8.916   5.335 -20.268
  294   2HE   LYS  31          2HE       LYS  31 -10.441   5.220 -19.373
  295   1HZ   LYS  31          1HZ       LYS  31 -10.867   7.500 -19.877
  296   2HZ   LYS  31          2HZ       LYS  31  -9.469   7.621 -20.745
  297   3HZ   LYS  31          3HZ       LYS  31 -10.675   6.618 -21.254
  298    H    ILE  32           H        ILE  32  -6.695   5.751 -13.223
  299    HA   ILE  32           HA       ILE  32  -4.051   4.754 -13.868
  300    HB   ILE  32           HB       ILE  32  -5.317   6.074 -11.421
  301   1HG1  ILE  32          1HG1      ILE  32  -2.996   6.962 -13.176
  302   2HG1  ILE  32          2HG1      ILE  32  -4.656   7.388 -13.520
  303   1HG2  ILE  32          1HG2      ILE  32  -3.760   4.527 -10.438
  304   2HG2  ILE  32          2HG2      ILE  32  -2.559   4.860 -11.692
  305   3HG2  ILE  32          3HG2      ILE  32  -2.942   6.079 -10.458
  306   1HD1  ILE  32          1HD1      ILE  32  -4.812   8.492 -11.269
  307   2HD1  ILE  32          2HD1      ILE  32  -3.082   8.173 -11.019
  308   3HD1  ILE  32          3HD1      ILE  32  -3.597   9.217 -12.342
  309    H    LEU  33           H        LEU  33  -6.681   3.949 -11.486
  310    HA   LEU  33           HA       LEU  33  -5.056   1.889 -10.461
  311   1HB   LEU  33          1HB       LEU  33  -6.916   1.522  -8.952
  312   2HB   LEU  33          2HB       LEU  33  -7.068   3.217  -9.459
  313    HG   LEU  33           HG       LEU  33  -8.719   2.607 -11.046
  314   1HD1  LEU  33          1HD1      LEU  33  -8.923   0.441 -11.664
  315   2HD1  LEU  33          2HD1      LEU  33  -8.112  -0.136 -10.179
  316   3HD1  LEU  33          3HD1      LEU  33  -9.849   0.252 -10.178
  317   1HD2  LEU  33          1HD2      LEU  33  -9.384   1.732  -8.256
  318   2HD2  LEU  33          2HD2      LEU  33  -9.207   3.440  -8.793
  319   3HD2  LEU  33          3HD2      LEU  33 -10.495   2.425  -9.461
  320    H    GLU  34           H        GLU  34  -7.279   1.895 -13.171
  321    HA   GLU  34           HA       GLU  34  -7.598  -0.882 -13.455
  322   1HB   GLU  34          1HB       GLU  34  -8.721   1.025 -14.712
  323   2HB   GLU  34          2HB       GLU  34  -7.304   1.116 -15.740
  324   1HG   GLU  34          1HG       GLU  34  -8.390  -1.646 -15.478
  325   2HG   GLU  34          2HG       GLU  34  -9.528  -0.490 -16.174
  326    H    ASP  35           H        ASP  35  -5.175   1.342 -14.785
  327    HA   ASP  35           HA       ASP  35  -3.588  -0.562 -16.169
  328   1HB   ASP  35          1HB       ASP  35  -3.368   1.965 -16.263
  329   2HB   ASP  35          2HB       ASP  35  -2.482   1.888 -14.733
  330    H    GLU  36           H        GLU  36  -3.182   0.716 -12.840
  331    HA   GLU  36           HA       GLU  36  -1.078  -0.947 -11.984
  332   1HB   GLU  36          1HB       GLU  36  -3.457  -0.051 -10.312
  333   2HB   GLU  36          2HB       GLU  36  -1.886  -0.571  -9.704
  334   1HG   GLU  36          1HG       GLU  36  -2.214   1.910 -11.464
  335   2HG   GLU  36          2HG       GLU  36  -2.302   1.929  -9.704
  336    H    GLU  37           H        GLU  37  -4.609  -1.667 -12.107
  337    HA   GLU  37           HA       GLU  37  -4.622  -4.068 -10.778
  338   1HB   GLU  37          1HB       GLU  37  -6.422  -2.503 -12.142
  339   2HB   GLU  37          2HB       GLU  37  -6.289  -3.834 -13.284
  340   1HG   GLU  37          1HG       GLU  37  -6.775  -4.221 -10.311
  341   2HG   GLU  37          2HG       GLU  37  -8.049  -3.759 -11.434
  342    H    LYS  38           H        LYS  38  -3.662  -3.412 -14.181
  343    HA   LYS  38           HA       LYS  38  -3.376  -6.224 -14.814
  344   1HB   LYS  38          1HB       LYS  38  -3.775  -4.372 -16.452
  345   2HB   LYS  38          2HB       LYS  38  -2.108  -3.826 -16.193
  346   1HG   LYS  38          1HG       LYS  38  -1.237  -6.011 -16.962
  347   2HG   LYS  38          2HG       LYS  38  -2.882  -6.665 -17.042
  348   1HD   LYS  38          1HD       LYS  38  -3.446  -5.001 -18.809
  349   2HD   LYS  38          2HD       LYS  38  -1.767  -4.419 -18.779
  350   1HE   LYS  38          1HE       LYS  38  -0.956  -6.676 -19.420
  351   2HE   LYS  38          2HE       LYS  38  -2.610  -7.311 -19.354
  352   1HZ   LYS  38          1HZ       LYS  38  -3.194  -5.838 -21.128
  353   2HZ   LYS  38          2HZ       LYS  38  -1.656  -5.249 -21.208
  354   3HZ   LYS  38          3HZ       LYS  38  -1.957  -6.828 -21.575
  355    H    HIS  39           H        HIS  39  -1.112  -3.669 -13.779
  356    HA   HIS  39           HA       HIS  39   1.298  -5.170 -13.840
  357   1HB   HIS  39          1HB       HIS  39   0.273  -2.912 -12.071
  358   2HB   HIS  39          2HB       HIS  39   1.802  -3.659 -11.774
  359    HD1  HIS  39           HD1      HIS  39   3.627  -3.406 -13.838
  360    HD2  HIS  39           HD2      HIS  39   0.018  -1.291 -14.201
  361    HE1  HIS  39           HE1      HIS  39   3.928  -1.797 -15.791
  362    HE2  HIS  39           HE2      HIS  39   1.685  -0.525 -16.028
  363    H    ILE  40           H        ILE  40  -1.233  -4.998 -11.398
  364    HA   ILE  40           HA       ILE  40   0.057  -6.812  -9.521
  365    HB   ILE  40           HB       ILE  40  -2.691  -5.541  -9.756
  366   1HG1  ILE  40          1HG1      ILE  40  -0.574  -5.103  -7.630
  367   2HG1  ILE  40          2HG1      ILE  40  -0.436  -4.255  -9.137
  368   1HG2  ILE  40          1HG2      ILE  40  -2.999  -7.671  -8.563
  369   2HG2  ILE  40          2HG2      ILE  40  -1.616  -7.303  -7.515
  370   3HG2  ILE  40          3HG2      ILE  40  -3.111  -6.336  -7.432
  371   1HD1  ILE  40          1HD1      ILE  40  -2.565  -3.186  -8.929
  372   2HD1  ILE  40          2HD1      ILE  40  -2.948  -4.047  -7.438
  373   3HD1  ILE  40          3HD1      ILE  40  -1.612  -2.873  -7.474
  374    H    GLU  41           H        GLU  41  -2.270  -7.047 -12.211
  375    HA   GLU  41           HA       GLU  41  -3.420  -9.508 -11.553
  376   1HB   GLU  41          1HB       GLU  41  -4.202  -7.967 -13.360
  377   2HB   GLU  41          2HB       GLU  41  -2.819  -8.459 -14.360
  378   1HG   GLU  41          1HG       GLU  41  -4.323 -10.758 -13.319
  379   2HG   GLU  41          2HG       GLU  41  -5.358  -9.623 -14.192
  380    H    TRP  42           H        TRP  42  -0.338  -8.638 -13.080
  381    HA   TRP  42           HA       TRP  42   0.459 -11.110 -14.084
  382   1HB   TRP  42          1HB       TRP  42   1.514  -8.704 -14.086
  383   2HB   TRP  42          2HB       TRP  42   2.319  -9.221 -12.613
  384    HD1  TRP  42           HD1      TRP  42   2.007 -10.082 -16.330
  385    HE1  TRP  42           HE1      TRP  42   4.020 -11.473 -17.071
  386    HE3  TRP  42           HE3      TRP  42   4.183 -10.653 -11.835
  387    HZ2  TRP  42           HZ2      TRP  42   6.383 -12.667 -15.835
  388    HZ3  TRP  42           HZ3      TRP  42   6.346 -11.952 -11.583
  389    HH2  TRP  42           HH2      TRP  42   7.402 -12.988 -13.585
  390    H    LEU  43           H        LEU  43   0.594  -9.861 -10.734
  391    HA   LEU  43           HA       LEU  43   1.905 -12.231  -9.687
  392   1HB   LEU  43          1HB       LEU  43   0.590  -9.831  -8.426
  393   2HB   LEU  43          2HB       LEU  43   1.318 -11.121  -7.472
  394    HG   LEU  43           HG       LEU  43   3.156 -10.086  -9.544
  395   1HD1  LEU  43          1HD1      LEU  43   2.342  -7.914  -9.350
  396   2HD1  LEU  43          2HD1      LEU  43   1.853  -8.092  -7.669
  397   3HD1  LEU  43          3HD1      LEU  43   3.561  -7.942  -8.066
  398   1HD2  LEU  43          1HD2      LEU  43   3.362 -10.279  -6.508
  399   2HD2  LEU  43          2HD2      LEU  43   3.880 -11.509  -7.668
  400   3HD2  LEU  43          3HD2      LEU  43   4.693  -9.934  -7.612
  401    H    GLU  44           H        GLU  44  -1.419 -11.554 -10.487
  402    HA   GLU  44           HA       GLU  44  -2.521 -13.631  -8.613
  403   1HB   GLU  44          1HB       GLU  44  -3.715 -11.649 -10.581
  404   2HB   GLU  44          2HB       GLU  44  -4.567 -13.145 -10.267
  405   1HG   GLU  44          1HG       GLU  44  -3.915 -12.189  -7.684
  406   2HG   GLU  44          2HG       GLU  44  -4.420 -10.761  -8.597
  407    H    THR  45           H        THR  45  -1.606 -13.135 -11.634
  408    HA   THR  45           HA       THR  45  -2.684 -15.485 -13.023
  409    HB   THR  45           HB       THR  45  -1.582 -13.067 -13.861
  410    HG1  THR  45           HG1      THR  45  -2.517 -13.581 -15.690
  411   1HG2  THR  45          1HG2      THR  45   0.705 -13.969 -14.046
  412   2HG2  THR  45          2HG2      THR  45   0.104 -15.184 -15.189
  413   3HG2  THR  45          3HG2      THR  45   0.003 -13.450 -15.573
  414    H    ILE  46           H        ILE  46   0.309 -14.757 -11.528
  415    HA   ILE  46           HA       ILE  46   1.966 -16.470 -13.063
  416    HB   ILE  46           HB       ILE  46   2.679 -14.495 -11.933
  417   1HG1  ILE  46          1HG1      ILE  46   4.394 -16.497 -10.497
  418   2HG1  ILE  46          2HG1      ILE  46   4.224 -16.696 -12.256
  419   1HG2  ILE  46          1HG2      ILE  46   1.256 -14.621  -9.987
  420   2HG2  ILE  46          2HG2      ILE  46   2.234 -15.892  -9.291
  421   3HG2  ILE  46          3HG2      ILE  46   2.902 -14.250  -9.561
  422   1HD1  ILE  46          1HD1      ILE  46   4.761 -14.396 -12.665
  423   2HD1  ILE  46          2HD1      ILE  46   4.891 -14.069 -10.918
  424   3HD1  ILE  46          3HD1      ILE  46   6.066 -15.159 -11.720
  425    H    LEU  47           H        LEU  47   0.133 -17.138 -10.138
  426    HA   LEU  47           HA       LEU  47   0.759 -19.989 -10.441
  427   1HB   LEU  47          1HB       LEU  47   2.459 -18.831  -8.846
  428   2HB   LEU  47          2HB       LEU  47   1.136 -18.762  -7.686
  429    HG   LEU  47           HG       LEU  47   2.283 -21.248  -9.064
  430   1HD1  LEU  47          1HD1      LEU  47   3.789 -20.237  -7.396
  431   2HD1  LEU  47          2HD1      LEU  47   2.495 -20.297  -6.179
  432   3HD1  LEU  47          3HD1      LEU  47   3.172 -21.802  -6.840
  433   1HD2  LEU  47          1HD2      LEU  47   0.082 -21.017  -6.965
  434   2HD2  LEU  47          2HD2      LEU  47  -0.041 -21.721  -8.596
  435   3HD2  LEU  47          3HD2      LEU  47   0.925 -22.527  -7.361
  436    H    GLY  48           H        GLY  48  -1.427 -19.594 -11.287
  437   1HA   GLY  48          1HA       GLY  48  -3.604 -18.778  -9.682
  438   2HA   GLY  48          2HA       GLY  48  -3.703 -19.838 -11.098
  439   1HN   NH2  49          1HN       NH2  49  -1.865 -21.893  -9.781
  440   2HN   NH2  49          2HN       NH2  49  -2.944 -22.754  -8.651
  441   1H    ACE   0          H1        ACE   0  -4.644  16.890   2.739
  442   2H    ACE   0          H2        ACE   0  -5.612  16.678   1.263
  443   3H    ACE   0          H3        ACE   0  -6.413  16.936   2.830
  444    H    ASP   1           H        ASP   1  -7.568  15.008   2.914
  445    HA   ASP   1           HA       ASP   1  -6.231  12.807   4.081
  446   1HB   ASP   1          1HB       ASP   1  -8.565  13.270   4.569
  447   2HB   ASP   1          2HB       ASP   1  -9.026  12.998   2.877
  448    H    TYR   2           H        TYR   2  -7.777  13.022   0.850
  449    HA   TYR   2           HA       TYR   2  -7.275  10.470  -0.049
  450   1HB   TYR   2          1HB       TYR   2  -7.180  12.883  -1.863
  451   2HB   TYR   2          2HB       TYR   2  -7.873  11.290  -2.137
  452    HD1  TYR   2           HD1      TYR   2  -9.647  10.829   0.161
  453    HD2  TYR   2           HD2      TYR   2  -8.907  14.472  -2.040
  454    HE1  TYR   2           HE1      TYR   2 -11.630  11.857   1.190
  455    HE2  TYR   2           HE2      TYR   2 -10.969  15.454  -1.084
  456    HH   TYR   2           HH       TYR   2 -13.002  13.713   1.276
  457    H    LEU   3           H        LEU   3  -5.200  13.343  -0.457
  458    HA   LEU   3           HA       LEU   3  -3.125  12.021  -1.906
  459   1HB   LEU   3          1HB       LEU   3  -2.933  14.463  -0.105
  460   2HB   LEU   3          2HB       LEU   3  -1.781  13.978  -1.356
  461    HG   LEU   3           HG       LEU   3  -4.678  14.853  -1.826
  462   1HD1  LEU   3          1HD1      LEU   3  -3.173  16.689  -1.179
  463   2HD1  LEU   3          2HD1      LEU   3  -2.046  16.229  -2.474
  464   3HD1  LEU   3          3HD1      LEU   3  -3.670  16.821  -2.875
  465   1HD2  LEU   3          1HD2      LEU   3  -2.511  14.064  -3.824
  466   2HD2  LEU   3          2HD2      LEU   3  -4.059  13.228  -3.562
  467   3HD2  LEU   3          3HD2      LEU   3  -4.042  14.855  -4.241
  468    H    ARG   4           H        ARG   4  -3.784  12.406   1.593
  469    HA   ARG   4           HA       ARG   4  -1.322  10.956   2.337
  470   1HB   ARG   4          1HB       ARG   4  -3.686  11.984   3.930
  471   2HB   ARG   4          2HB       ARG   4  -2.288  11.192   4.644
  472   1HG   ARG   4          1HG       ARG   4  -1.885  13.682   2.939
  473   2HG   ARG   4          2HG       ARG   4  -2.475  13.792   4.594
  474   1HD   ARG   4          1HD       ARG   4  -0.153  14.072   4.753
  475   2HD   ARG   4          2HD       ARG   4  -0.492  12.443   5.371
  476    HE   ARG   4           HE       ARG   4   0.148  12.367   2.565
  477   1HH1  ARG   4          1HH2      ARG   4   1.617  12.883   5.720
  478   2HH1  ARG   4          2HH2      ARG   4   3.243  12.523   5.209
  479   1HH2  ARG   4          1HH1      ARG   4   2.270  11.890   1.845
  480   2HH2  ARG   4          2HH1      ARG   4   3.619  11.935   2.943
  481    H    GLU   5           H        GLU   5  -3.646   9.762   0.631
  482    HA   GLU   5           HA       GLU   5  -3.666   7.204   2.178
  483   1HB   GLU   5          1HB       GLU   5  -5.878   8.355   2.159
  484   2HB   GLU   5          2HB       GLU   5  -5.923   8.271   0.402
  485   1HG   GLU   5          1HG       GLU   5  -6.528   6.075   0.405
  486   2HG   GLU   5          2HG       GLU   5  -5.369   5.653   1.676
  487    H    LEU   6           H        LEU   6  -4.238   8.501  -1.127
  488    HA   LEU   6           HA       LEU   6  -3.266   5.963  -2.271
  489   1HB   LEU   6          1HB       LEU   6  -4.150   8.455  -3.695
  490   2HB   LEU   6          2HB       LEU   6  -3.903   6.862  -4.381
  491    HG   LEU   6           HG       LEU   6  -5.990   6.304  -2.668
  492   1HD1  LEU   6          1HD1      LEU   6  -6.723   8.388  -1.892
  493   2HD1  LEU   6          2HD1      LEU   6  -5.996   9.305  -3.221
  494   3HD1  LEU   6          3HD1      LEU   6  -7.480   8.445  -3.499
  495   1HD2  LEU   6          1HD2      LEU   6  -5.874   7.272  -5.508
  496   2HD2  LEU   6          2HD2      LEU   6  -5.825   5.623  -4.870
  497   3HD2  LEU   6          3HD2      LEU   6  -7.330   6.546  -4.777
  498    H    LEU   7           H        LEU   7  -1.387   7.807  -0.866
  499    HA   LEU   7           HA       LEU   7   0.600   7.675  -2.967
  500   1HB   LEU   7          1HB       LEU   7  -0.170   9.990  -3.073
  501   2HB   LEU   7          2HB       LEU   7   0.266  10.242  -1.383
  502    HG   LEU   7           HG       LEU   7   2.341   9.413  -3.442
  503   1HD1  LEU   7          1HD1      LEU   7   1.291  11.375  -4.353
  504   2HD1  LEU   7          2HD1      LEU   7   1.305  12.199  -2.781
  505   3HD1  LEU   7          3HD1      LEU   7   2.827  11.877  -3.643
  506   1HD2  LEU   7          1HD2      LEU   7   2.405  10.712  -0.680
  507   2HD2  LEU   7          2HD2      LEU   7   3.246   9.243  -1.228
  508   3HD2  LEU   7          3HD2      LEU   7   3.772  10.822  -1.801
  509    H    LYS   8           H        LYS   8   0.173   8.556   0.489
  510    HA   LYS   8           HA       LYS   8   2.689   7.634   1.209
  511   1HB   LYS   8          1HB       LYS   8   1.932   7.600   3.518
  512   2HB   LYS   8          2HB       LYS   8   1.531   9.071   2.644
  513   1HG   LYS   8          1HG       LYS   8  -0.435   8.815   3.713
  514   2HG   LYS   8          2HG       LYS   8  -0.810   7.919   2.251
  515   1HD   LYS   8          1HD       LYS   8  -1.674   6.587   3.885
  516   2HD   LYS   8          2HD       LYS   8  -0.124   5.779   3.645
  517   1HE   LYS   8          1HE       LYS   8  -0.741   7.829   5.838
  518   2HE   LYS   8          2HE       LYS   8  -0.867   6.078   6.028
  519   1HZ   LYS   8          1HZ       LYS   8   1.192   6.794   6.854
  520   2HZ   LYS   8          2HZ       LYS   8   1.469   5.913   5.489
  521   3HZ   LYS   8          3HZ       LYS   8   1.590   7.558   5.452
  522    H    LEU   9           H        LEU   9  -0.375   5.826   0.914
  523    HA   LEU   9           HA       LEU   9   0.729   3.319   1.903
  524   1HB   LEU   9          1HB       LEU   9  -1.595   3.890   0.013
  525   2HB   LEU   9          2HB       LEU   9  -1.191   2.299   0.653
  526    HG   LEU   9           HG       LEU   9  -1.941   4.679   2.403
  527   1HD1  LEU   9          1HD1      LEU   9  -3.811   3.975   0.938
  528   2HD1  LEU   9          2HD1      LEU   9  -3.649   2.312   1.538
  529   3HD1  LEU   9          3HD1      LEU   9  -4.124   3.616   2.647
  530   1HD2  LEU   9          1HD2      LEU   9  -1.672   1.694   3.014
  531   2HD2  LEU   9          2HD2      LEU   9  -0.610   2.977   3.630
  532   3HD2  LEU   9          3HD2      LEU   9  -2.299   2.915   4.136
  533    H    GLU  10           H        GLU  10   0.578   5.035  -1.242
  534    HA   GLU  10           HA       GLU  10   1.296   2.821  -2.789
  535   1HB   GLU  10          1HB       GLU  10   1.885   5.699  -3.430
  536   2HB   GLU  10          2HB       GLU  10   1.801   4.272  -4.469
  537   1HG   GLU  10          1HG       GLU  10  -0.584   5.386  -2.971
  538   2HG   GLU  10          2HG       GLU  10  -0.238   5.691  -4.676
  539    H    LEU  11           H        LEU  11   3.243   5.276  -1.115
  540    HA   LEU  11           HA       LEU  11   5.804   4.570  -2.186
  541   1HB   LEU  11          1HB       LEU  11   4.767   5.958   0.254
  542   2HB   LEU  11          2HB       LEU  11   6.350   5.222   0.478
  543    HG   LEU  11           HG       LEU  11   5.767   6.989  -1.923
  544   1HD1  LEU  11          1HD1      LEU  11   5.268   8.294   0.109
  545   2HD1  LEU  11          2HD1      LEU  11   6.842   7.845   0.802
  546   3HD1  LEU  11          3HD1      LEU  11   6.763   8.857  -0.658
  547   1HD2  LEU  11          1HD2      LEU  11   8.346   6.246  -0.440
  548   2HD2  LEU  11          2HD2      LEU  11   7.827   5.535  -1.978
  549   3HD2  LEU  11          3HD2      LEU  11   8.233   7.256  -1.896
  550    H    GLN  12           H        GLN  12   3.928   3.050   0.451
  551    HA   GLN  12           HA       GLN  12   5.958   1.299   1.328
  552   1HB   GLN  12          1HB       GLN  12   3.516   1.887   2.287
  553   2HB   GLN  12          2HB       GLN  12   2.998   0.581   1.209
  554   1HG   GLN  12          1HG       GLN  12   4.830  -0.825   2.367
  555   2HG   GLN  12          2HG       GLN  12   4.868   0.451   3.590
  556   1HE2  GLN  12          2HE2      GLN  12   2.683  -1.899   1.942
  557   2HE2  GLN  12          1HE2      GLN  12   1.577  -2.033   3.298
  558    H    LEU  13           H        LEU  13   3.968   1.256  -1.533
  559    HA   LEU  13           HA       LEU  13   4.192  -1.571  -2.134
  560   1HB   LEU  13          1HB       LEU  13   3.750   0.655  -4.168
  561   2HB   LEU  13          2HB       LEU  13   3.280  -1.034  -4.243
  562    HG   LEU  13           HG       LEU  13   2.122   0.980  -2.285
  563   1HD1  LEU  13          1HD1      LEU  13   1.702   1.479  -4.702
  564   2HD1  LEU  13          2HD1      LEU  13   1.046  -0.142  -4.911
  565   3HD1  LEU  13          3HD1      LEU  13   0.237   1.045  -3.836
  566   1HD2  LEU  13          1HD2      LEU  13   1.502  -1.901  -2.867
  567   2HD2  LEU  13          2HD2      LEU  13   2.074  -1.208  -1.342
  568   3HD2  LEU  13          3HD2      LEU  13   0.475  -0.785  -1.910
  569    H    ILE  14           H        ILE  14   5.637   1.468  -3.385
  570    HA   ILE  14           HA       ILE  14   7.442   0.151  -5.162
  571    HB   ILE  14           HB       ILE  14   7.697   2.862  -3.696
  572   1HG1  ILE  14          1HG1      ILE  14   5.591   2.973  -4.723
  573   2HG1  ILE  14          2HG1      ILE  14   6.672   3.776  -5.836
  574   1HG2  ILE  14          1HG2      ILE  14   9.802   2.207  -4.886
  575   2HG2  ILE  14          2HG2      ILE  14   8.883   2.040  -6.390
  576   3HG2  ILE  14          3HG2      ILE  14   9.022   3.619  -5.612
  577   1HD1  ILE  14          1HD1      ILE  14   6.802   1.548  -7.125
  578   2HD1  ILE  14          2HD1      ILE  14   5.481   0.981  -6.080
  579   3HD1  ILE  14          3HD1      ILE  14   5.237   2.368  -7.137
  580    H    LYS  15           H        LYS  15   7.762   1.046  -1.810
  581    HA   LYS  15           HA       LYS  15  10.404   0.057  -1.391
  582   1HB   LYS  15          1HB       LYS  15   8.498   1.370   0.155
  583   2HB   LYS  15          2HB       LYS  15   8.454  -0.244   0.839
  584   1HG   LYS  15          1HG       LYS  15  10.059   1.045   2.068
  585   2HG   LYS  15          2HG       LYS  15  10.980  -0.085   1.074
  586   1HD   LYS  15          1HD       LYS  15  12.149   1.691   0.296
  587   2HD   LYS  15          2HD       LYS  15  10.705   2.189  -0.596
  588   1HE   LYS  15          1HE       LYS  15   9.978   3.616   1.249
  589   2HE   LYS  15          2HE       LYS  15  11.311   3.038   2.273
  590   1HZ   LYS  15          1HZ       LYS  15  12.848   3.983   0.727
  591   2HZ   LYS  15          2HZ       LYS  15  11.625   4.540  -0.227
  592   3HZ   LYS  15          3HZ       LYS  15  11.819   5.134   1.297
  593    H    GLN  16           H        GLN  16   7.200  -1.595  -0.918
  594    HA   GLN  16           HA       GLN  16   8.378  -4.097  -0.120
  595   1HB   GLN  16          1HB       GLN  16   5.659  -3.239  -1.171
  596   2HB   GLN  16          2HB       GLN  16   6.020  -4.947  -1.000
  597   1HG   GLN  16          1HG       GLN  16   6.323  -2.946   1.273
  598   2HG   GLN  16          2HG       GLN  16   4.887  -3.951   1.004
  599   1HE2  GLN  16          2HE2      GLN  16   6.683  -4.009   3.380
  600   2HE2  GLN  16          1HE2      GLN  16   7.307  -5.652   3.397
  601    H    TYR  17           H        TYR  17   7.626  -2.744  -3.234
  602    HA   TYR  17           HA       TYR  17   7.872  -5.135  -4.807
  603   1HB   TYR  17          1HB       TYR  17   7.698  -2.137  -5.285
  604   2HB   TYR  17          2HB       TYR  17   8.239  -3.161  -6.563
  605    HD1  TYR  17           HD1      TYR  17   6.748  -5.365  -6.927
  606    HD2  TYR  17           HD2      TYR  17   5.380  -1.525  -5.606
  607    HE1  TYR  17           HE1      TYR  17   4.508  -5.829  -7.896
  608    HE2  TYR  17           HE2      TYR  17   3.092  -2.082  -6.351
  609    HH   TYR  17           HH       TYR  17   1.720  -3.693  -7.315
  610    H    ARG  18           H        ARG  18  10.081  -2.819  -3.452
  611    HA   ARG  18           HA       ARG  18  12.315  -3.639  -5.187
  612   1HB   ARG  18          1HB       ARG  18  12.082  -1.686  -2.880
  613   2HB   ARG  18          2HB       ARG  18  13.643  -2.325  -3.422
  614   1HG   ARG  18          1HG       ARG  18  13.169  -1.594  -5.728
  615   2HG   ARG  18          2HG       ARG  18  11.652  -0.857  -5.196
  616   1HD   ARG  18          1HD       ARG  18  12.737   0.967  -4.279
  617   2HD   ARG  18          2HD       ARG  18  14.017  -0.028  -3.593
  618    HE   ARG  18           HE       ARG  18  15.364   0.385  -5.355
  619   1HH1  ARG  18          1HH2      ARG  18  12.059   1.072  -6.320
  620   2HH1  ARG  18          2HH2      ARG  18  12.465   1.659  -7.910
  621   1HH2  ARG  18          1HH1      ARG  18  15.947   1.071  -7.453
  622   2HH2  ARG  18          2HH1      ARG  18  14.739   1.636  -8.573
  623    H    GLU  19           H        GLU  19  11.123  -4.025  -1.913
  624    HA   GLU  19           HA       GLU  19  13.092  -5.772  -0.924
  625   1HB   GLU  19          1HB       GLU  19  11.041  -4.777   0.334
  626   2HB   GLU  19          2HB       GLU  19  10.170  -6.194  -0.279
  627   1HG   GLU  19          1HG       GLU  19  12.017  -7.636   0.729
  628   2HG   GLU  19          2HG       GLU  19  12.637  -6.170   1.503
  629    H    ALA  20           H        ALA  20  10.054  -6.586  -2.753
  630    HA   ALA  20           HA       ALA  20  10.799  -9.385  -2.688
  631   1HB   ALA  20          1HB       ALA  20   8.482  -8.310  -2.856
  632   2HB   ALA  20          2HB       ALA  20   8.796  -8.275  -4.613
  633   3HB   ALA  20          3HB       ALA  20   8.767  -9.815  -3.732
  634    H    LEU  21           H        LEU  21  11.619  -6.769  -4.864
  635    HA   LEU  21           HA       LEU  21  11.798  -7.832  -7.329
  636   1HB   LEU  21          1HB       LEU  21  12.432  -5.529  -6.381
  637   2HB   LEU  21          2HB       LEU  21  14.065  -6.135  -6.218
  638    HG   LEU  21           HG       LEU  21  12.427  -5.942  -8.795
  639   1HD1  LEU  21          1HD1      LEU  21  12.786  -3.752  -8.044
  640   2HD1  LEU  21          2HD1      LEU  21  14.401  -4.112  -7.405
  641   3HD1  LEU  21          3HD1      LEU  21  14.153  -4.004  -9.142
  642   1HD2  LEU  21          1HD2      LEU  21  15.369  -6.599  -8.375
  643   2HD2  LEU  21          2HD2      LEU  21  14.122  -7.649  -9.097
  644   3HD2  LEU  21          3HD2      LEU  21  14.627  -6.191  -9.939
  645    H    GLU  22           H        GLU  22  14.532  -7.981  -5.027
  646    HA   GLU  22           HA       GLU  22  16.053  -9.713  -6.829
  647   1HB   GLU  22          1HB       GLU  22  16.726  -8.659  -4.047
  648   2HB   GLU  22          2HB       GLU  22  17.766  -9.685  -5.044
  649   1HG   GLU  22          1HG       GLU  22  17.607  -7.921  -6.881
  650   2HG   GLU  22          2HG       GLU  22  16.858  -6.851  -5.681
  651    H    TYR  23           H        TYR  23  14.195  -9.956  -3.826
  652    HA   TYR  23           HA       TYR  23  14.922 -12.611  -3.167
  653   1HB   TYR  23          1HB       TYR  23  12.779 -10.661  -2.476
  654   2HB   TYR  23          2HB       TYR  23  12.266 -12.314  -2.348
  655    HD1  TYR  23           HD1      TYR  23  14.621 -13.760  -1.286
  656    HD2  TYR  23           HD2      TYR  23  12.933  -9.927  -0.235
  657    HE1  TYR  23           HE1      TYR  23  15.499 -14.002   0.992
  658    HE2  TYR  23           HE2      TYR  23  13.772 -10.208   2.075
  659    HH   TYR  23           HH       TYR  23  15.574 -13.119   3.103
  660    H    VAL  24           H        VAL  24  12.700 -11.343  -5.563
  661    HA   VAL  24           HA       VAL  24  11.754 -14.055  -6.316
  662    HB   VAL  24           HB       VAL  24  11.088 -11.271  -7.320
  663   1HG1  VAL  24          1HG1      VAL  24  10.763 -12.790  -9.194
  664   2HG1  VAL  24          2HG1      VAL  24   9.970 -13.987  -8.148
  665   3HG1  VAL  24          3HG1      VAL  24   9.175 -12.444  -8.499
  666   1HG2  VAL  24          1HG2      VAL  24   9.348 -13.284  -5.845
  667   2HG2  VAL  24          2HG2      VAL  24  10.204 -11.982  -5.002
  668   3HG2  VAL  24          3HG2      VAL  24   8.959 -11.596  -6.197
  669    H    LYS  25           H        LYS  25  13.983 -11.539  -7.397
  670    HA   LYS  25           HA       LYS  25  15.548 -11.409  -8.992
  671   1HB   LYS  25          1HB       LYS  25  15.397 -14.456  -8.993
  672   2HB   LYS  25          2HB       LYS  25  16.394 -13.531 -10.107
  673   1HG   LYS  25          1HG       LYS  25  17.242 -12.324  -7.889
  674   2HG   LYS  25          2HG       LYS  25  16.707 -13.821  -7.127
  675   1HD   LYS  25          1HD       LYS  25  18.551 -13.684  -9.575
  676   2HD   LYS  25          2HD       LYS  25  19.158 -13.680  -7.916
  677   1HE   LYS  25          1HE       LYS  25  18.299 -15.875  -7.467
  678   2HE   LYS  25          2HE       LYS  25  17.359 -15.909  -8.969
  679   1HZ   LYS  25          1HZ       LYS  25  19.344 -15.960 -10.209
  680   2HZ   LYS  25          2HZ       LYS  25  20.290 -15.770  -8.872
  681   3HZ   LYS  25          3HZ       LYS  25  19.422 -17.156  -9.080
  682    H    LEU  26           H        LEU  26  13.688 -10.257  -9.944
  683    HA   LEU  26           HA       LEU  26  13.347 -11.264 -12.712
  684   1HB   LEU  26          1HB       LEU  26  11.466 -12.180 -11.427
  685   2HB   LEU  26          2HB       LEU  26  11.129 -10.571 -10.780
  686    HG   LEU  26           HG       LEU  26  10.757  -9.852 -13.228
  687   1HD1  LEU  26          1HD1      LEU  26  11.719 -11.876 -14.334
  688   2HD1  LEU  26          2HD1      LEU  26  10.477 -12.874 -13.559
  689   3HD1  LEU  26          3HD1      LEU  26  10.015 -11.655 -14.760
  690   1HD2  LEU  26          1HD2      LEU  26   8.420 -10.649 -13.127
  691   2HD2  LEU  26          2HD2      LEU  26   8.882 -11.794 -11.845
  692   3HD2  LEU  26          3HD2      LEU  26   8.980 -10.041 -11.572
  693    HA   PRO  27           HA       PRO  27  14.001  -6.765 -12.974
  694   1HB   PRO  27          1HB       PRO  27  14.209  -6.461 -15.676
  695   2HB   PRO  27          2HB       PRO  27  15.511  -7.145 -14.664
  696   1HG   PRO  27          1HG       PRO  27  13.457  -8.659 -16.290
  697   2HG   PRO  27          2HG       PRO  27  15.222  -8.924 -16.231
  698   1HD   PRO  27          1HD       PRO  27  13.478 -10.411 -14.760
  699   2HD   PRO  27          2HD       PRO  27  15.081  -9.972 -14.106
  700    H    VAL  28           H        VAL  28  11.531  -8.586 -14.839
  701    HA   VAL  28           HA       VAL  28   9.803  -6.526 -15.574
  702    HB   VAL  28           HB       VAL  28   9.270  -9.323 -14.699
  703   1HG1  VAL  28          1HG1      VAL  28   7.244  -8.246 -14.069
  704   2HG1  VAL  28          2HG1      VAL  28   7.209  -7.284 -15.571
  705   3HG1  VAL  28          3HG1      VAL  28   6.940  -9.040 -15.609
  706   1HG2  VAL  28          1HG2      VAL  28   8.908  -8.028 -17.409
  707   2HG2  VAL  28          2HG2      VAL  28  10.310  -9.027 -16.931
  708   3HG2  VAL  28          3HG2      VAL  28   8.689  -9.735 -17.001
  709    H    LEU  29           H        LEU  29  10.327  -7.896 -12.318
  710    HA   LEU  29           HA       LEU  29   8.079  -6.658 -11.030
  711   1HB   LEU  29          1HB       LEU  29  10.419  -8.238 -10.296
  712   2HB   LEU  29          2HB       LEU  29  10.321  -6.860  -9.212
  713    HG   LEU  29           HG       LEU  29   7.844  -8.511  -9.785
  714   1HD1  LEU  29          1HD1      LEU  29   9.534 -10.166  -9.181
  715   2HD1  LEU  29          2HD1      LEU  29  10.008  -9.209  -7.762
  716   3HD1  LEU  29          3HD1      LEU  29   8.389  -9.932  -7.853
  717   1HD2  LEU  29          1HD2      LEU  29   8.852  -7.044  -7.299
  718   2HD2  LEU  29          2HD2      LEU  29   7.809  -6.324  -8.547
  719   3HD2  LEU  29          3HD2      LEU  29   7.223  -7.699  -7.577
  720    H    ALA  30           H        ALA  30  11.475  -5.615 -10.883
  721    HA   ALA  30           HA       ALA  30  11.139  -3.036 -10.193
  722   1HB   ALA  30          1HB       ALA  30  13.304  -4.367 -11.068
  723   2HB   ALA  30          2HB       ALA  30  12.964  -3.522 -12.573
  724   3HB   ALA  30          3HB       ALA  30  13.273  -2.583 -11.104
  725    H    LYS  31           H        LYS  31  10.473  -4.248 -13.468
  726    HA   LYS  31           HA       LYS  31  10.019  -1.524 -14.472
  727   1HB   LYS  31          1HB       LYS  31   9.383  -4.212 -15.715
  728   2HB   LYS  31          2HB       LYS  31   9.103  -2.639 -16.484
  729   1HG   LYS  31          1HG       LYS  31  11.489  -2.055 -16.222
  730   2HG   LYS  31          2HG       LYS  31  11.817  -3.645 -15.508
  731   1HD   LYS  31          1HD       LYS  31  11.027  -4.747 -17.592
  732   2HD   LYS  31          2HD       LYS  31  10.710  -3.164 -18.321
  733   1HE   LYS  31          1HE       LYS  31  13.448  -4.169 -17.387
  734   2HE   LYS  31          2HE       LYS  31  12.881  -4.133 -19.065
  735   1HZ   LYS  31          1HZ       LYS  31  12.688  -1.751 -18.883
  736   2HZ   LYS  31          2HZ       LYS  31  13.265  -1.788 -17.341
  737   3HZ   LYS  31          3HZ       LYS  31  14.229  -2.251 -18.591
  738    H    ILE  32           H        ILE  32   8.029  -3.949 -12.881
  739    HA   ILE  32           HA       ILE  32   5.517  -2.747 -13.682
  740    HB   ILE  32           HB       ILE  32   6.402  -4.835 -11.647
  741   1HG1  ILE  32          1HG1      ILE  32   4.354  -5.141 -13.871
  742   2HG1  ILE  32          2HG1      ILE  32   6.080  -5.358 -14.146
  743   1HG2  ILE  32          1HG2      ILE  32   4.767  -3.887 -10.354
  744   2HG2  ILE  32          2HG2      ILE  32   3.860  -3.290 -11.739
  745   3HG2  ILE  32          3HG2      ILE  32   3.772  -5.008 -11.297
  746   1HD1  ILE  32          1HD1      ILE  32   6.130  -7.116 -12.384
  747   2HD1  ILE  32          2HD1      ILE  32   4.379  -6.941 -12.163
  748   3HD1  ILE  32          3HD1      ILE  32   5.012  -7.500 -13.712
  749    H    LEU  33           H        LEU  33   7.722  -2.762 -10.851
  750    HA   LEU  33           HA       LEU  33   6.087  -1.054  -9.233
  751   1HB   LEU  33          1HB       LEU  33   7.724  -1.230  -7.706
  752   2HB   LEU  33          2HB       LEU  33   8.025  -2.661  -8.718
  753    HG   LEU  33           HG       LEU  33   9.838  -1.457  -9.788
  754   1HD1  LEU  33          1HD1      LEU  33  10.073   0.731  -9.567
  755   2HD1  LEU  33          2HD1      LEU  33   8.842   0.787  -8.276
  756   3HD1  LEU  33          3HD1      LEU  33  10.529   0.448  -7.878
  757   1HD2  LEU  33          1HD2      LEU  33   9.983  -1.721  -6.773
  758   2HD2  LEU  33          2HD2      LEU  33  10.144  -3.060  -7.935
  759   3HD2  LEU  33          3HD2      LEU  33  11.369  -1.777  -7.887
  760    H    GLU  34           H        GLU  34   8.657  -0.379 -11.687
  761    HA   GLU  34           HA       GLU  34   8.910   2.387 -11.296
  762   1HB   GLU  34          1HB       GLU  34  10.203   0.833 -12.928
  763   2HB   GLU  34          2HB       GLU  34   8.879   1.118 -14.049
  764   1HG   GLU  34          1HG       GLU  34   9.327   3.682 -13.495
  765   2HG   GLU  34          2HG       GLU  34  10.895   3.088 -12.943
  766    H    ASP  35           H        ASP  35   6.713   0.627 -13.492
  767    HA   ASP  35           HA       ASP  35   5.397   2.884 -14.583
  768   1HB   ASP  35          1HB       ASP  35   5.165   0.487 -15.364
  769   2HB   ASP  35          2HB       ASP  35   4.070   0.219 -13.990
  770    H    GLU  36           H        GLU  36   4.566   0.905 -11.708
  771    HA   GLU  36           HA       GLU  36   2.350   2.443 -10.882
  772   1HB   GLU  36          1HB       GLU  36   4.310   1.061  -9.008
  773   2HB   GLU  36          2HB       GLU  36   2.644   1.545  -8.697
  774   1HG   GLU  36          1HG       GLU  36   2.475  -0.103 -11.009
  775   2HG   GLU  36          2HG       GLU  36   3.694  -0.884 -10.002
  776    H    GLU  37           H        GLU  37   5.867   2.945 -10.241
  777    HA   GLU  37           HA       GLU  37   5.703   5.037  -8.429
  778   1HB   GLU  37          1HB       GLU  37   7.662   3.648  -9.784
  779   2HB   GLU  37          2HB       GLU  37   7.837   5.243 -10.516
  780   1HG   GLU  37          1HG       GLU  37   7.706   4.826  -7.510
  781   2HG   GLU  37          2HG       GLU  37   9.158   4.468  -8.437
  782    H    LYS  38           H        LYS  38   5.610   5.208 -12.015
  783    HA   LYS  38           HA       LYS  38   5.296   8.082 -12.107
  784   1HB   LYS  38          1HB       LYS  38   5.972   6.651 -14.044
  785   2HB   LYS  38          2HB       LYS  38   4.342   5.955 -14.070
  786   1HG   LYS  38          1HG       LYS  38   3.395   8.264 -14.420
  787   2HG   LYS  38          2HG       LYS  38   5.040   8.914 -14.467
  788   1HD   LYS  38          1HD       LYS  38   5.518   7.667 -16.506
  789   2HD   LYS  38          2HD       LYS  38   3.999   6.753 -16.360
  790   1HE   LYS  38          1HE       LYS  38   2.683   8.837 -16.617
  791   2HE   LYS  38          2HE       LYS  38   4.176   9.785 -16.748
  792   1HZ   LYS  38          1HZ       LYS  38   4.690   8.593 -18.739
  793   2HZ   LYS  38          2HZ       LYS  38   3.341   7.655 -18.593
  794   3HZ   LYS  38          3HZ       LYS  38   3.194   9.273 -18.870
  795    H    HIS  39           H        HIS  39   2.864   5.421 -12.039
  796    HA   HIS  39           HA       HIS  39   0.647   7.212 -12.254
  797   1HB   HIS  39          1HB       HIS  39   0.994   4.402 -11.183
  798   2HB   HIS  39          2HB       HIS  39  -0.505   5.267 -10.891
  799    HD1  HIS  39           HD1      HIS  39  -1.080   6.690 -13.538
  800    HD2  HIS  39           HD2      HIS  39   0.609   2.843 -13.288
  801    HE1  HIS  39           HE1      HIS  39  -1.588   5.530 -15.772
  802    HE2  HIS  39           HE2      HIS  39  -0.492   3.208 -15.627
  803    H    ILE  40           H        ILE  40   2.484   6.176  -9.418
  804    HA   ILE  40           HA       ILE  40   0.806   7.518  -7.507
  805    HB   ILE  40           HB       ILE  40   3.710   6.643  -7.364
  806   1HG1  ILE  40          1HG1      ILE  40   1.280   5.247  -6.217
  807   2HG1  ILE  40          2HG1      ILE  40   1.723   4.900  -7.836
  808   1HG2  ILE  40          1HG2      ILE  40   3.162   8.281  -5.572
  809   2HG2  ILE  40          2HG2      ILE  40   1.719   7.347  -5.149
  810   3HG2  ILE  40          3HG2      ILE  40   3.340   6.669  -4.891
  811   1HD1  ILE  40          1HD1      ILE  40   3.973   4.225  -7.265
  812   2HD1  ILE  40          2HD1      ILE  40   3.698   4.527  -5.553
  813   3HD1  ILE  40          3HD1      ILE  40   2.783   3.250  -6.395
  814    H    GLU  41           H        GLU  41   3.783   8.410  -9.271
  815    HA   GLU  41           HA       GLU  41   4.301  10.934  -8.229
  816   1HB   GLU  41          1HB       GLU  41   5.616   9.648 -10.030
  817   2HB   GLU  41          2HB       GLU  41   4.415  10.252 -11.184
  818   1HG   GLU  41          1HG       GLU  41   5.119  12.592  -9.982
  819   2HG   GLU  41          2HG       GLU  41   6.620  11.679  -9.806
  820    H    TRP  42           H        TRP  42   1.765   9.945 -10.597
  821    HA   TRP  42           HA       TRP  42   0.962  12.460 -11.400
  822   1HB   TRP  42          1HB       TRP  42   0.219  10.065 -12.049
  823   2HB   TRP  42          2HB       TRP  42  -1.036  10.285 -10.836
  824    HD1  TRP  42           HD1      TRP  42   0.222  11.798 -14.083
  825    HE1  TRP  42           HE1      TRP  42  -1.613  13.212 -15.205
  826    HE3  TRP  42           HE3      TRP  42  -3.032  11.638 -10.313
  827    HZ2  TRP  42           HZ2      TRP  42  -4.240  14.291 -14.363
  828    HZ3  TRP  42           HZ3      TRP  42  -5.167  12.977 -10.355
  829    HH2  TRP  42           HH2      TRP  42  -5.755  14.303 -12.390
  830    H    LEU  43           H        LEU  43   0.293  10.774  -8.406
  831    HA   LEU  43           HA       LEU  43  -1.697  12.670  -7.409
  832   1HB   LEU  43          1HB       LEU  43  -0.301  10.344  -6.039
  833   2HB   LEU  43          2HB       LEU  43  -1.472  11.407  -5.293
  834    HG   LEU  43           HG       LEU  43  -2.774  10.586  -7.656
  835   1HD1  LEU  43          1HD1      LEU  43  -1.176   8.760  -7.975
  836   2HD1  LEU  43          2HD1      LEU  43  -1.386   8.221  -6.305
  837   3HD1  LEU  43          3HD1      LEU  43  -2.729   8.092  -7.446
  838   1HD2  LEU  43          1HD2      LEU  43  -2.898   9.729  -4.753
  839   2HD2  LEU  43          2HD2      LEU  43  -3.893  10.971  -5.520
  840   3HD2  LEU  43          3HD2      LEU  43  -4.149   9.262  -5.932
  841    H    GLU  44           H        GLU  44   1.668  12.979  -7.750
  842    HA   GLU  44           HA       GLU  44   1.799  14.751  -5.404
  843   1HB   GLU  44          1HB       GLU  44   4.010  14.326  -5.215
  844   2HB   GLU  44          2HB       GLU  44   3.576  12.836  -6.060
  845   1HG   GLU  44          1HG       GLU  44   4.174  14.085  -8.238
  846   2HG   GLU  44          2HG       GLU  44   4.721  15.396  -7.217
  847    H    THR  45           H        THR  45   1.726  14.680  -8.831
  848    HA   THR  45           HA       THR  45   2.628  17.386  -9.267
  849    HB   THR  45           HB       THR  45   1.134  16.625 -11.435
  850    HG1  THR  45           HG1      THR  45   0.547  14.648 -10.515
  851   1HG2  THR  45          1HG2      THR  45   3.571  17.151 -11.548
  852   2HG2  THR  45          2HG2      THR  45   3.917  15.545 -10.837
  853   3HG2  THR  45          3HG2      THR  45   3.173  15.666 -12.442
  854    H    ILE  46           H        ILE  46  -0.480  15.737  -9.237
  855    HA   ILE  46           HA       ILE  46  -2.415  17.405  -9.792
  856    HB   ILE  46           HB       ILE  46  -2.731  15.201  -8.876
  857   1HG1  ILE  46          1HG1      ILE  46  -4.668  15.516  -7.381
  858   2HG1  ILE  46          2HG1      ILE  46  -4.276  17.231  -7.197
  859   1HG2  ILE  46          1HG2      ILE  46  -0.986  15.377  -7.083
  860   2HG2  ILE  46          2HG2      ILE  46  -2.153  16.227  -6.071
  861   3HG2  ILE  46          3HG2      ILE  46  -2.494  14.584  -6.600
  862   1HD1  ILE  46          1HD1      ILE  46  -4.620  17.593  -9.607
  863   2HD1  ILE  46          2HD1      ILE  46  -4.814  15.842  -9.862
  864   3HD1  ILE  46          3HD1      ILE  46  -6.028  16.753  -8.934
  865    H    LEU  47           H        LEU  47  -2.745  19.533  -9.532
  866    HA   LEU  47           HA       LEU  47  -2.100  20.818  -6.916
  867   1HB   LEU  47          1HB       LEU  47  -1.074  21.522  -9.312
  868   2HB   LEU  47          2HB       LEU  47  -2.618  22.367  -9.437
  869    HG   LEU  47           HG       LEU  47  -2.004  23.348  -7.077
  870   1HD1  LEU  47          1HD1      LEU  47  -0.092  21.757  -6.633
  871   2HD1  LEU  47          2HD1      LEU  47   0.761  22.437  -8.026
  872   3HD1  LEU  47          3HD1      LEU  47   0.421  23.450  -6.611
  873   1HD2  LEU  47          1HD2      LEU  47  -0.377  24.092  -9.548
  874   2HD2  LEU  47          2HD2      LEU  47  -2.003  24.686  -9.141
  875   3HD2  LEU  47          3HD2      LEU  47  -0.621  25.120  -8.119
  876    H    GLY  48           H        GLY  48  -3.757  22.055  -5.936
  877   1HA   GLY  48          1HA       GLY  48  -5.854  23.012  -5.680
  878   2HA   GLY  48          2HA       GLY  48  -6.324  22.479  -7.298
  879   1HN   NH2  49          1HN       NH2  49  -6.156  19.780  -7.339
  880   2HN   NH2  49          2HN       NH2  49  -7.153  19.049  -6.053
  Start of MODEL    7
    1   1H    ACE   0          H1        ACE   0  -7.860  16.640   5.992
    2   2H    ACE   0          H2        ACE   0  -7.107  17.131   4.460
    3   3H    ACE   0          H3        ACE   0  -8.285  15.798   4.487
    4    H    ASP   1           H        ASP   1  -7.677  13.921   5.936
    5    HA   ASP   1           HA       ASP   1  -5.015  13.698   6.896
    6   1HB   ASP   1          1HB       ASP   1  -7.468  12.305   7.230
    7   2HB   ASP   1          2HB       ASP   1  -6.349  11.092   6.635
    8    H    TYR   2           H        TYR   2  -5.889  13.505   3.754
    9    HA   TYR   2           HA       TYR   2  -5.262  11.544   2.259
   10   1HB   TYR   2          1HB       TYR   2  -3.948  14.264   2.021
   11   2HB   TYR   2          2HB       TYR   2  -4.187  13.084   0.741
   12    HD1  TYR   2           HD1      TYR   2  -6.657  12.213   0.378
   13    HD2  TYR   2           HD2      TYR   2  -5.637  15.928   2.316
   14    HE1  TYR   2           HE1      TYR   2  -8.955  13.027   0.013
   15    HE2  TYR   2           HE2      TYR   2  -7.987  16.676   2.081
   16    HH   TYR   2           HH       TYR   2 -10.464  14.729   0.408
   17    H    LEU   3           H        LEU   3  -2.499  13.345   3.670
   18    HA   LEU   3           HA       LEU   3  -0.548  11.648   2.524
   19   1HB   LEU   3          1HB       LEU   3  -0.508  13.297   5.104
   20   2HB   LEU   3          2HB       LEU   3   0.948  12.586   4.405
   21    HG   LEU   3           HG       LEU   3  -0.788  14.503   2.787
   22   1HD1  LEU   3          1HD1      LEU   3  -0.236  15.667   4.869
   23   2HD1  LEU   3          2HD1      LEU   3   1.477  15.231   4.685
   24   3HD1  LEU   3          3HD1      LEU   3   0.703  16.326   3.519
   25   1HD2  LEU   3          1HD2      LEU   3   2.180  13.790   2.685
   26   2HD2  LEU   3          2HD2      LEU   3   0.941  13.172   1.574
   27   3HD2  LEU   3          3HD2      LEU   3   1.328  14.899   1.593
   28    H    ARG   4           H        ARG   4  -1.972  11.436   5.793
   29    HA   ARG   4           HA       ARG   4  -0.542   8.907   6.283
   30   1HB   ARG   4          1HB       ARG   4  -2.610  10.452   7.881
   31   2HB   ARG   4          2HB       ARG   4  -1.876   8.927   8.395
   32   1HG   ARG   4          1HG       ARG   4   0.384   9.933   8.246
   33   2HG   ARG   4          2HG       ARG   4  -0.327  11.499   7.821
   34   1HD   ARG   4          1HD       ARG   4  -0.885   9.964  10.403
   35   2HD   ARG   4          2HD       ARG   4   0.291  11.285  10.219
   36    HE   ARG   4           HE       ARG   4  -2.346  12.061   9.311
   37   1HH1  ARG   4          1HH2      ARG   4  -0.497  11.466  12.247
   38   2HH1  ARG   4          2HH2      ARG   4  -1.308  12.685  13.194
   39   1HH2  ARG   4          1HH1      ARG   4  -3.411  13.658  10.489
   40   2HH2  ARG   4          2HH1      ARG   4  -3.014  13.984  12.157
   41    H    GLU   5           H        GLU   5  -2.967   9.580   4.180
   42    HA   GLU   5           HA       GLU   5  -4.520   7.095   4.866
   43   1HB   GLU   5          1HB       GLU   5  -5.253   9.605   3.384
   44   2HB   GLU   5          2HB       GLU   5  -5.973   8.073   2.878
   45   1HG   GLU   5          1HG       GLU   5  -5.985   8.960   5.786
   46   2HG   GLU   5          2HG       GLU   5  -7.258   9.433   4.644
   47    H    LEU   6           H        LEU   6  -3.295   8.767   1.883
   48    HA   LEU   6           HA       LEU   6  -3.248   6.497   0.258
   49   1HB   LEU   6          1HB       LEU   6  -1.489   8.957   0.392
   50   2HB   LEU   6          2HB       LEU   6  -1.253   7.708  -0.826
   51    HG   LEU   6           HG       LEU   6  -3.379   8.210  -1.930
   52   1HD1  LEU   6          1HD1      LEU   6  -4.755   8.565   0.152
   53   2HD1  LEU   6          2HD1      LEU   6  -4.103  10.229   0.168
   54   3HD1  LEU   6          3HD1      LEU   6  -5.017   9.591  -1.220
   55   1HD2  LEU   6          1HD2      LEU   6  -2.066  10.811  -1.157
   56   2HD2  LEU   6          2HD2      LEU   6  -1.351   9.623  -2.267
   57   3HD2  LEU   6          3HD2      LEU   6  -2.883  10.378  -2.677
   58    H    LEU   7           H        LEU   7  -0.953   7.480   2.783
   59    HA   LEU   7           HA       LEU   7   1.180   5.795   1.939
   60   1HB   LEU   7          1HB       LEU   7   1.675   7.787   3.197
   61   2HB   LEU   7          2HB       LEU   7   0.593   7.300   4.510
   62    HG   LEU   7           HG       LEU   7   2.078   5.488   5.170
   63   1HD1  LEU   7          1HD1      LEU   7   3.044   4.829   3.010
   64   2HD1  LEU   7          2HD1      LEU   7   3.868   6.399   2.868
   65   3HD1  LEU   7          3HD1      LEU   7   4.328   5.249   4.143
   66   1HD2  LEU   7          1HD2      LEU   7   3.584   8.106   4.782
   67   2HD2  LEU   7          2HD2      LEU   7   2.430   7.755   6.088
   68   3HD2  LEU   7          3HD2      LEU   7   3.947   6.844   5.979
   69    H    LYS   8           H        LYS   8  -1.273   5.695   4.496
   70    HA   LYS   8           HA       LYS   8  -0.438   3.297   5.712
   71   1HB   LYS   8          1HB       LYS   8  -1.632   4.983   6.948
   72   2HB   LYS   8          2HB       LYS   8  -2.970   4.981   5.786
   73   1HG   LYS   8          1HG       LYS   8  -3.782   2.888   6.519
   74   2HG   LYS   8          2HG       LYS   8  -2.336   2.556   7.497
   75   1HD   LYS   8          1HD       LYS   8  -2.859   4.223   9.092
   76   2HD   LYS   8          2HD       LYS   8  -3.976   5.069   8.018
   77   1HE   LYS   8          1HE       LYS   8  -4.537   2.265   9.090
   78   2HE   LYS   8          2HE       LYS   8  -5.056   3.753   9.903
   79   1HZ   LYS   8          1HZ       LYS   8  -6.261   4.367   7.949
   80   2HZ   LYS   8          2HZ       LYS   8  -5.812   2.986   7.175
   81   3HZ   LYS   8          3HZ       LYS   8  -6.774   2.907   8.511
   82    H    LEU   9           H        LEU   9  -2.661   4.256   3.183
   83    HA   LEU   9           HA       LEU   9  -3.999   1.663   2.945
   84   1HB   LEU   9          1HB       LEU   9  -3.815   4.067   1.106
   85   2HB   LEU   9          2HB       LEU   9  -4.741   2.605   0.758
   86    HG   LEU   9           HG       LEU   9  -5.237   4.199   3.298
   87   1HD1  LEU   9          1HD1      LEU   9  -5.567   5.699   1.347
   88   2HD1  LEU   9          2HD1      LEU   9  -6.657   4.502   0.618
   89   3HD1  LEU   9          3HD1      LEU   9  -7.097   5.299   2.142
   90   1HD2  LEU   9          1HD2      LEU   9  -6.959   2.234   1.725
   91   2HD2  LEU   9          2HD2      LEU   9  -6.170   1.904   3.280
   92   3HD2  LEU   9          3HD2      LEU   9  -7.452   3.114   3.184
   93    H    GLU  10           H        GLU  10  -1.301   3.309   1.280
   94    HA   GLU  10           HA       GLU  10  -0.655   1.190  -0.583
   95   1HB   GLU  10          1HB       GLU  10   0.918   3.413   0.674
   96   2HB   GLU  10          2HB       GLU  10   1.604   2.160  -0.355
   97   1HG   GLU  10          1HG       GLU  10  -0.644   4.002  -1.188
   98   2HG   GLU  10          2HG       GLU  10   1.071   4.171  -1.625
   99    H    LEU  11           H        LEU  11   0.448   1.837   2.785
  100    HA   LEU  11           HA       LEU  11   2.330  -0.215   2.878
  101   1HB   LEU  11          1HB       LEU  11   1.401   1.666   4.676
  102   2HB   LEU  11          2HB       LEU  11   0.726   0.206   5.377
  103    HG   LEU  11           HG       LEU  11   2.816   0.677   6.411
  104   1HD1  LEU  11          1HD1      LEU  11   2.401  -1.733   5.885
  105   2HD1  LEU  11          2HD1      LEU  11   3.431  -1.568   4.444
  106   3HD1  LEU  11          3HD1      LEU  11   4.117  -1.319   6.054
  107   1HD2  LEU  11          1HD2      LEU  11   4.166   0.758   3.676
  108   2HD2  LEU  11          2HD2      LEU  11   3.756   2.164   4.676
  109   3HD2  LEU  11          3HD2      LEU  11   4.934   0.976   5.255
  110    H    GLN  12           H        GLN  12  -1.188  -0.389   3.408
  111    HA   GLN  12           HA       GLN  12  -1.258  -3.136   4.229
  112   1HB   GLN  12          1HB       GLN  12  -3.344  -1.310   3.009
  113   2HB   GLN  12          2HB       GLN  12  -3.680  -2.975   3.491
  114   1HG   GLN  12          1HG       GLN  12  -3.208  -2.574   5.774
  115   2HG   GLN  12          2HG       GLN  12  -2.407  -1.032   5.451
  116   1HE2  GLN  12          2HE2      GLN  12  -3.651   0.814   4.920
  117   2HE2  GLN  12          1HE2      GLN  12  -5.387   0.875   5.265
  118    H    LEU  13           H        LEU  13  -0.689  -1.768   1.049
  119    HA   LEU  13           HA       LEU  13  -1.522  -4.127  -0.441
  120   1HB   LEU  13          1HB       LEU  13   0.476  -1.971  -1.281
  121   2HB   LEU  13          2HB       LEU  13  -0.244  -3.238  -2.248
  122    HG   LEU  13           HG       LEU  13  -1.549  -0.738  -1.173
  123   1HD1  LEU  13          1HD1      LEU  13  -0.315  -0.595  -3.292
  124   2HD1  LEU  13          2HD1      LEU  13  -1.149  -2.000  -3.934
  125   3HD1  LEU  13          3HD1      LEU  13  -2.048  -0.504  -3.660
  126   1HD2  LEU  13          1HD2      LEU  13  -2.945  -3.175  -2.293
  127   2HD2  LEU  13          2HD2      LEU  13  -3.207  -2.423  -0.708
  128   3HD2  LEU  13          3HD2      LEU  13  -3.688  -1.569  -2.178
  129    H    ILE  14           H        ILE  14   1.583  -2.679   0.682
  130    HA   ILE  14           HA       ILE  14   3.180  -4.964  -0.109
  131    HB   ILE  14           HB       ILE  14   3.598  -2.561   1.697
  132   1HG1  ILE  14          1HG1      ILE  14   5.233  -1.941   0.023
  133   2HG1  ILE  14          2HG1      ILE  14   5.116  -3.507  -0.786
  134   1HG2  ILE  14          1HG2      ILE  14   4.977  -4.302   2.773
  135   2HG2  ILE  14          2HG2      ILE  14   5.674  -4.742   1.195
  136   3HG2  ILE  14          3HG2      ILE  14   5.990  -3.152   1.893
  137   1HD1  ILE  14          1HD1      ILE  14   2.887  -2.958  -1.618
  138   2HD1  ILE  14          2HD1      ILE  14   2.858  -1.482  -0.627
  139   3HD1  ILE  14          3HD1      ILE  14   4.007  -1.660  -1.972
  140    H    LYS  15           H        LYS  15   1.314  -4.249   2.860
  141    HA   LYS  15           HA       LYS  15   2.303  -6.558   4.231
  142   1HB   LYS  15          1HB       LYS  15   0.699  -4.394   4.902
  143   2HB   LYS  15          2HB       LYS  15  -0.484  -5.686   4.786
  144   1HG   LYS  15          1HG       LYS  15   0.243  -5.576   7.041
  145   2HG   LYS  15          2HG       LYS  15   1.001  -7.030   6.372
  146   1HD   LYS  15          1HD       LYS  15   3.148  -5.769   6.084
  147   2HD   LYS  15          2HD       LYS  15   2.350  -4.279   6.606
  148   1HE   LYS  15          1HE       LYS  15   1.965  -5.235   8.845
  149   2HE   LYS  15          2HE       LYS  15   2.670  -6.781   8.332
  150   1HZ   LYS  15          1HZ       LYS  15   4.739  -5.653   7.968
  151   2HZ   LYS  15          2HZ       LYS  15   4.089  -4.210   8.422
  152   3HZ   LYS  15          3HZ       LYS  15   4.232  -5.429   9.521
  153    H    GLN  16           H        GLN  16  -0.595  -6.011   2.130
  154    HA   GLN  16           HA       GLN  16  -1.482  -8.744   2.501
  155   1HB   GLN  16          1HB       GLN  16  -2.362  -6.437   0.804
  156   2HB   GLN  16          2HB       GLN  16  -2.692  -8.040   0.175
  157   1HG   GLN  16          1HG       GLN  16  -4.590  -7.358   1.403
  158   2HG   GLN  16          2HG       GLN  16  -3.835  -8.717   2.231
  159   1HE2  GLN  16          2HE2      GLN  16  -5.636  -6.305   3.052
  160   2HE2  GLN  16          1HE2      GLN  16  -4.827  -5.721   4.499
  161    H    TYR  17           H        TYR  17   0.645  -7.205   0.195
  162    HA   TYR  17           HA       TYR  17   0.857  -9.366  -1.677
  163   1HB   TYR  17          1HB       TYR  17   2.616  -7.022  -0.825
  164   2HB   TYR  17          2HB       TYR  17   3.177  -8.121  -2.030
  165    HD1  TYR  17           HD1      TYR  17   2.790  -5.101  -2.205
  166    HD2  TYR  17           HD2      TYR  17   0.574  -8.484  -3.662
  167    HE1  TYR  17           HE1      TYR  17   2.226  -3.848  -4.225
  168    HE2  TYR  17           HE2      TYR  17   0.155  -7.291  -5.767
  169    HH   TYR  17           HH       TYR  17   0.736  -5.420  -7.054
  170    H    ARG  18           H        ARG  18   2.420  -8.616   1.393
  171    HA   ARG  18           HA       ARG  18   4.471 -10.699   1.066
  172   1HB   ARG  18          1HB       ARG  18   3.598  -9.019   3.436
  173   2HB   ARG  18          2HB       ARG  18   4.775 -10.344   3.553
  174   1HG   ARG  18          1HG       ARG  18   6.278  -9.262   1.974
  175   2HG   ARG  18          2HG       ARG  18   5.106  -7.985   1.665
  176   1HD   ARG  18          1HD       ARG  18   6.706  -7.077   3.158
  177   2HD   ARG  18          2HD       ARG  18   5.259  -7.322   4.116
  178    HE   ARG  18           HE       ARG  18   7.863  -8.731   4.236
  179   1HH1  ARG  18          1HH2      ARG  18   4.527  -8.764   5.389
  180   2HH1  ARG  18          2HH2      ARG  18   4.869  -9.730   6.798
  181   1HH2  ARG  18          1HH1      ARG  18   8.331  -9.995   6.035
  182   2HH2  ARG  18          2HH1      ARG  18   7.092 -10.459   7.165
  183    H    GLU  19           H        GLU  19   1.471 -10.213   2.805
  184    HA   GLU  19           HA       GLU  19   1.134 -12.720   3.998
  185   1HB   GLU  19          1HB       GLU  19  -0.319 -10.651   4.254
  186   2HB   GLU  19          2HB       GLU  19  -1.075 -11.097   2.716
  187   1HG   GLU  19          1HG       GLU  19  -1.835 -13.227   3.678
  188   2HG   GLU  19          2HG       GLU  19  -1.007 -12.847   5.200
  189    H    ALA  20           H        ALA  20   0.229 -11.676   0.630
  190    HA   ALA  20           HA       ALA  20  -0.629 -14.454   0.120
  191   1HB   ALA  20          1HB       ALA  20  -2.065 -12.891  -0.737
  192   2HB   ALA  20          2HB       ALA  20  -0.754 -11.918  -1.421
  193   3HB   ALA  20          3HB       ALA  20  -1.191 -13.479  -2.164
  194    H    LEU  21           H        LEU  21   2.400 -12.788  -0.184
  195    HA   LEU  21           HA       LEU  21   3.506 -13.838  -2.433
  196   1HB   LEU  21          1HB       LEU  21   4.630 -12.312  -0.779
  197   2HB   LEU  21          2HB       LEU  21   4.902 -13.708   0.267
  198    HG   LEU  21           HG       LEU  21   6.345 -14.726  -1.509
  199   1HD1  LEU  21          1HD1      LEU  21   5.418 -13.617  -3.549
  200   2HD1  LEU  21          2HD1      LEU  21   5.953 -12.042  -2.899
  201   3HD1  LEU  21          3HD1      LEU  21   7.138 -13.267  -3.375
  202   1HD2  LEU  21          1HD2      LEU  21   7.104 -11.873  -0.729
  203   2HD2  LEU  21          2HD2      LEU  21   7.335 -13.320   0.279
  204   3HD2  LEU  21          3HD2      LEU  21   8.225 -13.146  -1.246
  205    H    GLU  22           H        GLU  22   2.879 -15.605   0.557
  206    HA   GLU  22           HA       GLU  22   4.263 -18.025  -0.306
  207   1HB   GLU  22          1HB       GLU  22   2.595 -17.257   2.117
  208   2HB   GLU  22          2HB       GLU  22   3.054 -18.936   1.813
  209   1HG   GLU  22          1HG       GLU  22   5.146 -16.726   1.909
  210   2HG   GLU  22          2HG       GLU  22   4.599 -17.597   3.347
  211    H    TYR  23           H        TYR  23   0.958 -16.760  -0.292
  212    HA   TYR  23           HA       TYR  23  -0.356 -19.254  -0.920
  213   1HB   TYR  23          1HB       TYR  23  -1.075 -16.420  -0.746
  214   2HB   TYR  23          2HB       TYR  23  -1.723 -17.118  -2.208
  215    HD1  TYR  23           HD1      TYR  23  -3.152 -19.223  -2.062
  216    HD2  TYR  23           HD2      TYR  23  -2.125 -16.834   1.377
  217    HE1  TYR  23           HE1      TYR  23  -5.159 -20.071  -0.865
  218    HE2  TYR  23           HE2      TYR  23  -4.119 -17.683   2.565
  219    HH   TYR  23           HH       TYR  23  -6.035 -18.944   2.405
  220    H    VAL  24           H        VAL  24   1.254 -16.702  -2.787
  221    HA   VAL  24           HA       VAL  24   0.524 -18.067  -5.321
  222    HB   VAL  24           HB       VAL  24   2.029 -15.460  -4.979
  223   1HG1  VAL  24          1HG1      VAL  24   2.138 -16.526  -7.255
  224   2HG1  VAL  24          2HG1      VAL  24   0.373 -16.629  -7.277
  225   3HG1  VAL  24          3HG1      VAL  24   1.174 -15.047  -7.276
  226   1HG2  VAL  24          1HG2      VAL  24  -0.949 -16.058  -5.210
  227   2HG2  VAL  24          2HG2      VAL  24  -0.164 -15.204  -3.878
  228   3HG2  VAL  24          3HG2      VAL  24  -0.251 -14.443  -5.465
  229    H    LYS  25           H        LYS  25   3.423 -17.540  -3.362
  230    HA   LYS  25           HA       LYS  25   5.578 -18.128  -3.560
  231   1HB   LYS  25          1HB       LYS  25   4.506 -20.474  -5.163
  232   2HB   LYS  25          2HB       LYS  25   6.126 -20.319  -4.474
  233   1HG   LYS  25          1HG       LYS  25   4.980 -20.009  -2.185
  234   2HG   LYS  25          2HG       LYS  25   3.500 -20.597  -2.957
  235   1HD   LYS  25          1HD       LYS  25   6.173 -22.078  -3.010
  236   2HD   LYS  25          2HD       LYS  25   4.950 -22.349  -1.765
  237   1HE   LYS  25          1HE       LYS  25   3.456 -23.394  -3.204
  238   2HE   LYS  25          2HE       LYS  25   4.064 -22.582  -4.648
  239   1HZ   LYS  25          1HZ       LYS  25   6.003 -23.899  -4.582
  240   2HZ   LYS  25          2HZ       LYS  25   5.527 -24.663  -3.200
  241   3HZ   LYS  25          3HZ       LYS  25   4.676 -24.871  -4.598
  242    H    LEU  26           H        LEU  26   5.332 -16.065  -5.034
  243    HA   LEU  26           HA       LEU  26   6.525 -16.698  -7.711
  244   1HB   LEU  26          1HB       LEU  26   4.203 -16.152  -7.942
  245   2HB   LEU  26          2HB       LEU  26   4.403 -14.700  -6.960
  246    HG   LEU  26           HG       LEU  26   6.109 -13.963  -8.803
  247   1HD1  LEU  26          1HD1      LEU  26   6.245 -16.170  -9.975
  248   2HD1  LEU  26          2HD1      LEU  26   4.517 -16.052 -10.354
  249   3HD1  LEU  26          3HD1      LEU  26   5.660 -14.888 -11.046
  250   1HD2  LEU  26          1HD2      LEU  26   3.153 -14.114  -9.444
  251   2HD2  LEU  26          2HD2      LEU  26   3.927 -12.905  -8.399
  252   3HD2  LEU  26          3HD2      LEU  26   4.349 -12.970 -10.107
  253    HA   PRO  27           HA       PRO  27   9.534 -13.812  -5.885
  254   1HB   PRO  27          1HB       PRO  27  11.485 -13.903  -7.795
  255   2HB   PRO  27          2HB       PRO  27  11.225 -15.187  -6.583
  256   1HG   PRO  27          1HG       PRO  27  10.227 -15.127  -9.440
  257   2HG   PRO  27          2HG       PRO  27  11.050 -16.469  -8.593
  258   1HD   PRO  27          1HD       PRO  27   8.351 -16.361  -8.855
  259   2HD   PRO  27          2HD       PRO  27   9.087 -17.002  -7.358
  260    H    VAL  28           H        VAL  28   8.237 -13.621  -9.247
  261    HA   VAL  28           HA       VAL  28   8.817 -10.895  -9.742
  262    HB   VAL  28           HB       VAL  28   6.623 -12.710 -10.597
  263   1HG1  VAL  28          1HG1      VAL  28   5.385 -10.624 -10.372
  264   2HG1  VAL  28          2HG1      VAL  28   6.705  -9.721 -11.158
  265   3HG1  VAL  28          3HG1      VAL  28   5.739 -10.888 -12.076
  266   1HG2  VAL  28          1HG2      VAL  28   8.626 -11.061 -12.171
  267   2HG2  VAL  28          2HG2      VAL  28   8.830 -12.780 -11.745
  268   3HG2  VAL  28          3HG2      VAL  28   7.510 -12.274 -12.819
  269    H    LEU  29           H        LEU  29   6.505 -12.349  -7.456
  270    HA   LEU  29           HA       LEU  29   4.989  -9.918  -7.085
  271   1HB   LEU  29          1HB       LEU  29   4.813 -12.619  -6.155
  272   2HB   LEU  29          2HB       LEU  29   4.916 -11.585  -4.734
  273    HG   LEU  29           HG       LEU  29   2.981 -11.005  -6.988
  274   1HD1  LEU  29          1HD1      LEU  29   2.521 -13.283  -6.241
  275   2HD1  LEU  29          2HD1      LEU  29   2.540 -12.771  -4.541
  276   3HD1  LEU  29          3HD1      LEU  29   1.267 -12.191  -5.636
  277   1HD2  LEU  29          1HD2      LEU  29   2.951 -10.325  -4.003
  278   2HD2  LEU  29          2HD2      LEU  29   3.451  -9.201  -5.285
  279   3HD2  LEU  29          3HD2      LEU  29   1.783  -9.798  -5.230
  280    H    ALA  30           H        ALA  30   7.560 -11.546  -5.150
  281    HA   ALA  30           HA       ALA  30   8.458  -9.362  -3.580
  282   1HB   ALA  30          1HB       ALA  30   9.424 -11.651  -3.490
  283   2HB   ALA  30          2HB       ALA  30  10.347 -11.248  -4.956
  284   3HB   ALA  30          3HB       ALA  30  10.579 -10.309  -3.480
  285    H    LYS  31           H        LYS  31   9.251  -9.669  -6.977
  286    HA   LYS  31           HA       LYS  31  10.727  -7.133  -6.632
  287   1HB   LYS  31          1HB       LYS  31  10.147  -8.885  -8.989
  288   2HB   LYS  31          2HB       LYS  31  10.709  -7.224  -9.248
  289   1HG   LYS  31          1HG       LYS  31  12.710  -7.502  -8.108
  290   2HG   LYS  31          2HG       LYS  31  12.171  -8.914  -7.198
  291   1HD   LYS  31          1HD       LYS  31  12.428  -9.052 -10.215
  292   2HD   LYS  31          2HD       LYS  31  13.855  -9.242  -9.175
  293   1HE   LYS  31          1HE       LYS  31  12.877 -11.109  -7.983
  294   2HE   LYS  31          2HE       LYS  31  11.314 -10.883  -8.783
  295   1HZ   LYS  31          1HZ       LYS  31  12.308 -11.465 -10.841
  296   2HZ   LYS  31          2HZ       LYS  31  13.798 -11.624 -10.150
  297   3HZ   LYS  31          3HZ       LYS  31  12.583 -12.659  -9.738
  298    H    ILE  32           H        ILE  32   7.380  -7.851  -7.452
  299    HA   ILE  32           HA       ILE  32   6.858  -5.161  -8.491
  300    HB   ILE  32           HB       ILE  32   5.140  -7.483  -7.525
  301   1HG1  ILE  32          1HG1      ILE  32   5.355  -6.077 -10.228
  302   2HG1  ILE  32          2HG1      ILE  32   6.266  -7.520  -9.791
  303   1HG2  ILE  32          1HG2      ILE  32   3.926  -5.543  -6.773
  304   2HG2  ILE  32          2HG2      ILE  32   4.250  -4.689  -8.288
  305   3HG2  ILE  32          3HG2      ILE  32   3.151  -6.084  -8.251
  306   1HD1  ILE  32          1HD1      ILE  32   4.083  -8.719  -9.378
  307   2HD1  ILE  32          2HD1      ILE  32   3.244  -7.314 -10.079
  308   3HD1  ILE  32          3HD1      ILE  32   4.386  -8.238 -11.060
  309    H    LEU  33           H        LEU  33   6.749  -6.923  -5.390
  310    HA   LEU  33           HA       LEU  33   5.282  -4.849  -4.081
  311   1HB   LEU  33          1HB       LEU  33   4.937  -6.385  -2.527
  312   2HB   LEU  33          2HB       LEU  33   5.450  -7.455  -3.817
  313    HG   LEU  33           HG       LEU  33   7.632  -7.645  -2.740
  314   1HD1  LEU  33          1HD1      LEU  33   7.812  -5.692  -1.363
  315   2HD1  LEU  33          2HD1      LEU  33   6.211  -6.016  -0.643
  316   3HD1  LEU  33          3HD1      LEU  33   7.606  -7.082  -0.287
  317   1HD2  LEU  33          1HD2      LEU  33   5.136  -8.184  -1.029
  318   2HD2  LEU  33          2HD2      LEU  33   5.545  -9.157  -2.448
  319   3HD2  LEU  33          3HD2      LEU  33   6.605  -9.167  -1.022
  320    H    GLU  34           H        GLU  34   8.699  -5.824  -4.267
  321    HA   GLU  34           HA       GLU  34   9.873  -3.867  -2.573
  322   1HB   GLU  34          1HB       GLU  34  10.907  -5.886  -3.822
  323   2HB   GLU  34          2HB       GLU  34  11.057  -4.819  -5.203
  324   1HG   GLU  34          1HG       GLU  34  12.184  -4.190  -2.422
  325   2HG   GLU  34          2HG       GLU  34  13.100  -5.016  -3.687
  326    H    ASP  35           H        ASP  35   9.257  -3.748  -6.096
  327    HA   ASP  35           HA       ASP  35  10.181  -1.127  -6.469
  328   1HB   ASP  35          1HB       ASP  35   9.585  -2.773  -8.275
  329   2HB   ASP  35          2HB       ASP  35   7.878  -2.384  -8.011
  330    H    GLU  36           H        GLU  36   6.807  -2.194  -5.861
  331    HA   GLU  36           HA       GLU  36   5.546   0.301  -5.620
  332   1HB   GLU  36          1HB       GLU  36   5.078  -2.226  -3.997
  333   2HB   GLU  36          2HB       GLU  36   4.015  -0.816  -4.054
  334   1HG   GLU  36          1HG       GLU  36   4.602  -1.796  -6.764
  335   2HG   GLU  36          2HG       GLU  36   3.928  -3.067  -5.744
  336    H    GLU  37           H        GLU  37   7.401  -1.558  -3.038
  337    HA   GLU  37           HA       GLU  37   6.825   0.129  -0.967
  338   1HB   GLU  37          1HB       GLU  37   8.128  -2.199  -1.286
  339   2HB   GLU  37          2HB       GLU  37   9.561  -1.189  -1.179
  340   1HG   GLU  37          1HG       GLU  37   7.242  -1.080   0.781
  341   2HG   GLU  37          2HG       GLU  37   8.467  -2.343   0.828
  342    H    LYS  38           H        LYS  38   9.328   0.532  -3.491
  343    HA   LYS  38           HA       LYS  38  10.476   2.878  -2.278
  344   1HB   LYS  38          1HB       LYS  38  11.490   1.405  -4.128
  345   2HB   LYS  38          2HB       LYS  38  10.353   2.175  -5.237
  346   1HG   LYS  38          1HG       LYS  38  12.355   3.419  -5.500
  347   2HG   LYS  38          2HG       LYS  38  11.338   4.437  -4.478
  348   1HD   LYS  38          1HD       LYS  38  12.608   3.212  -2.474
  349   2HD   LYS  38          2HD       LYS  38  13.760   2.762  -3.733
  350   1HE   LYS  38          1HE       LYS  38  14.006   5.225  -4.284
  351   2HE   LYS  38          2HE       LYS  38  12.878   5.591  -2.958
  352   1HZ   LYS  38          1HZ       LYS  38  14.395   4.565  -1.444
  353   2HZ   LYS  38          2HZ       LYS  38  15.463   4.241  -2.662
  354   3HZ   LYS  38          3HZ       LYS  38  15.126   5.803  -2.251
  355    H    HIS  39           H        HIS  39   7.882   2.503  -4.733
  356    HA   HIS  39           HA       HIS  39   7.458   5.299  -5.180
  357   1HB   HIS  39          1HB       HIS  39   5.585   2.895  -5.263
  358   2HB   HIS  39          2HB       HIS  39   5.044   4.516  -5.603
  359    HD1  HIS  39           HD1      HIS  39   6.455   5.758  -7.741
  360    HD2  HIS  39           HD2      HIS  39   6.712   1.586  -7.225
  361    HE1  HIS  39           HE1      HIS  39   7.349   4.799  -9.950
  362    HE2  HIS  39           HE2      HIS  39   7.510   2.242  -9.601
  363    H    ILE  40           H        ILE  40   6.219   3.086  -2.694
  364    HA   ILE  40           HA       ILE  40   4.510   5.089  -1.547
  365    HB   ILE  40           HB       ILE  40   5.535   2.462  -0.392
  366   1HG1  ILE  40          1HG1      ILE  40   2.885   2.941  -1.803
  367   2HG1  ILE  40          2HG1      ILE  40   4.235   2.454  -2.733
  368   1HG2  ILE  40          1HG2      ILE  40   4.478   3.888   1.336
  369   2HG2  ILE  40          2HG2      ILE  40   3.064   4.129   0.292
  370   3HG2  ILE  40          3HG2      ILE  40   3.422   2.529   0.971
  371   1HD1  ILE  40          1HD1      ILE  40   4.634   0.461  -1.459
  372   2HD1  ILE  40          2HD1      ILE  40   3.278   0.790  -0.386
  373   3HD1  ILE  40          3HD1      ILE  40   2.989   0.490  -2.115
  374    H    GLU  41           H        GLU  41   7.805   3.926  -0.912
  375    HA   GLU  41           HA       GLU  41   8.352   5.330   1.425
  376   1HB   GLU  41          1HB       GLU  41   9.859   3.648   0.189
  377   2HB   GLU  41          2HB       GLU  41  10.304   4.991  -0.879
  378   1HG   GLU  41          1HG       GLU  41  10.707   6.086   1.637
  379   2HG   GLU  41          2HG       GLU  41  11.110   4.389   1.902
  380    H    TRP  42           H        TRP  42   8.221   6.465  -2.001
  381    HA   TRP  42           HA       TRP  42   9.311   8.960  -1.739
  382   1HB   TRP  42          1HB       TRP  42   8.209   7.710  -3.742
  383   2HB   TRP  42          2HB       TRP  42   6.737   8.543  -3.245
  384    HD1  TRP  42           HD1      TRP  42  10.179   9.195  -4.671
  385    HE1  TRP  42           HE1      TRP  42  10.394  11.667  -5.411
  386    HE3  TRP  42           HE3      TRP  42   5.787  10.849  -2.869
  387    HZ2  TRP  42           HZ2      TRP  42   8.751  14.068  -5.270
  388    HZ3  TRP  42           HZ3      TRP  42   5.075  13.252  -3.152
  389    HH2  TRP  42           HH2      TRP  42   6.595  14.860  -4.291
  390    H    LEU  43           H        LEU  43   6.015   7.930  -0.780
  391    HA   LEU  43           HA       LEU  43   5.166  10.574   0.041
  392   1HB   LEU  43          1HB       LEU  43   4.102   7.750   0.608
  393   2HB   LEU  43          2HB       LEU  43   3.422   9.183   1.353
  394    HG   LEU  43           HG       LEU  43   3.545   9.899  -1.338
  395   1HD1  LEU  43          1HD1      LEU  43   4.054   7.542  -1.920
  396   2HD1  LEU  43          2HD1      LEU  43   2.528   7.048  -1.150
  397   3HD1  LEU  43          3HD1      LEU  43   2.517   8.121  -2.577
  398   1HD2  LEU  43          1HD2      LEU  43   1.213   8.691   0.252
  399   2HD2  LEU  43          2HD2      LEU  43   1.677  10.404   0.235
  400   3HD2  LEU  43          3HD2      LEU  43   1.047   9.643  -1.235
  401    H    GLU  44           H        GLU  44   6.853   7.928   1.734
  402    HA   GLU  44           HA       GLU  44   6.325   9.297   4.264
  403   1HB   GLU  44          1HB       GLU  44   6.904   7.391   5.360
  404   2HB   GLU  44          2HB       GLU  44   6.317   6.740   3.820
  405   1HG   GLU  44          1HG       GLU  44   8.751   6.735   3.073
  406   2HG   GLU  44          2HG       GLU  44   9.183   7.177   4.728
  407    H    THR  45           H        THR  45   8.854   9.174   1.977
  408    HA   THR  45           HA       THR  45  10.840  10.351   3.828
  409    HB   THR  45           HB       THR  45  11.162   8.499   1.999
  410    HG1  THR  45           HG1      THR  45  13.278   8.937   2.109
  411   1HG2  THR  45          1HG2      THR  45  10.474   9.777   0.015
  412   2HG2  THR  45          2HG2      THR  45  11.812  10.923   0.297
  413   3HG2  THR  45          3HG2      THR  45  12.145   9.225  -0.074
  414    H    ILE  46           H        ILE  46   9.121  11.031   0.796
  415    HA   ILE  46           HA       ILE  46   8.571  12.923  -0.269
  416    HB   ILE  46           HB       ILE  46   6.803  12.443   1.116
  417   1HG1  ILE  46          1HG1      ILE  46   5.599  14.439   1.499
  418   2HG1  ILE  46          2HG1      ILE  46   7.046  15.438   1.449
  419   1HG2  ILE  46          1HG2      ILE  46   7.726  12.093   3.247
  420   2HG2  ILE  46          2HG2      ILE  46   8.180  13.800   3.426
  421   3HG2  ILE  46          3HG2      ILE  46   6.468  13.289   3.417
  422   1HD1  ILE  46          1HD1      ILE  46   7.408  14.788  -0.924
  423   2HD1  ILE  46          2HD1      ILE  46   6.056  13.638  -0.814
  424   3HD1  ILE  46          3HD1      ILE  46   5.752  15.386  -0.713
  425    H    LEU  47           H        LEU  47  11.198  12.981   0.297
  426    HA   LEU  47           HA       LEU  47  11.818  15.889   0.185
  427   1HB   LEU  47          1HB       LEU  47  12.975  13.709   1.943
  428   2HB   LEU  47          2HB       LEU  47  14.055  14.970   1.351
  429    HG   LEU  47           HG       LEU  47  11.456  15.772   2.679
  430   1HD1  LEU  47          1HD1      LEU  47  12.462  14.222   4.263
  431   2HD1  LEU  47          2HD1      LEU  47  14.039  15.029   4.111
  432   3HD1  LEU  47          3HD1      LEU  47  12.659  15.884   4.839
  433   1HD2  LEU  47          1HD2      LEU  47  14.237  17.039   2.548
  434   2HD2  LEU  47          2HD2      LEU  47  12.879  17.476   1.492
  435   3HD2  LEU  47          3HD2      LEU  47  12.778  17.777   3.234
  436    H    GLY  48           H        GLY  48  11.447  15.261  -2.085
  437   1HA   GLY  48          1HA       GLY  48  12.453  15.008  -4.161
  438   2HA   GLY  48          2HA       GLY  48  13.956  14.482  -3.391
  439   1HN   NH2  49          1HN       NH2  49  12.663  10.981  -2.984
  440   2HN   NH2  49          2HN       NH2  49  13.420  12.278  -2.025
  441   1H    ACE   0          H1        ACE   0  -7.898 -18.543  -6.158
  442   2H    ACE   0          H2        ACE   0  -8.351 -19.780  -4.965
  443   3H    ACE   0          H3        ACE   0  -6.701 -19.112  -4.975
  444    H    ASP   1           H        ASP   1  -7.646 -18.929  -2.582
  445    HA   ASP   1           HA       ASP   1  -9.493 -16.942  -1.862
  446   1HB   ASP   1          1HB       ASP   1  -8.553 -18.554  -0.256
  447   2HB   ASP   1          2HB       ASP   1  -6.952 -17.813  -0.428
  448    H    TYR   2           H        TYR   2  -5.934 -16.624  -2.174
  449    HA   TYR   2           HA       TYR   2  -5.516 -13.980  -1.656
  450   1HB   TYR   2          1HB       TYR   2  -3.544 -14.228  -2.826
  451   2HB   TYR   2          2HB       TYR   2  -3.887 -15.784  -2.115
  452    HD1  TYR   2           HD1      TYR   2  -3.374 -13.905  -5.210
  453    HD2  TYR   2           HD2      TYR   2  -4.536 -17.720  -3.565
  454    HE1  TYR   2           HE1      TYR   2  -2.884 -14.984  -7.369
  455    HE2  TYR   2           HE2      TYR   2  -4.080 -18.793  -5.748
  456    HH   TYR   2           HH       TYR   2  -2.996 -16.930  -8.598
  457    H    LEU   3           H        LEU   3  -6.644 -15.359  -4.708
  458    HA   LEU   3           HA       LEU   3  -6.516 -12.984  -6.247
  459   1HB   LEU   3          1HB       LEU   3  -7.694 -15.707  -6.555
  460   2HB   LEU   3          2HB       LEU   3  -8.532 -14.478  -7.481
  461    HG   LEU   3           HG       LEU   3  -5.531 -14.883  -7.637
  462   1HD1  LEU   3          1HD1      LEU   3  -6.663 -16.971  -8.291
  463   2HD1  LEU   3          2HD1      LEU   3  -7.732 -16.065  -9.384
  464   3HD1  LEU   3          3HD1      LEU   3  -5.989 -16.162  -9.716
  465   1HD2  LEU   3          1HD2      LEU   3  -7.541 -13.482  -9.461
  466   2HD2  LEU   3          2HD2      LEU   3  -6.287 -12.697  -8.479
  467   3HD2  LEU   3          3HD2      LEU   3  -5.824 -13.730  -9.835
  468    H    ARG   4           H        ARG   4  -8.885 -13.714  -3.796
  469    HA   ARG   4           HA       ARG   4 -10.925 -11.935  -4.903
  470   1HB   ARG   4          1HB       ARG   4 -10.272 -12.988  -2.140
  471   2HB   ARG   4          2HB       ARG   4 -11.455 -11.712  -2.347
  472   1HG   ARG   4          1HG       ARG   4 -11.648 -14.363  -3.851
  473   2HG   ARG   4          2HG       ARG   4 -12.343 -14.078  -2.250
  474   1HD   ARG   4          1HD       ARG   4 -14.209 -13.430  -3.389
  475   2HD   ARG   4          2HD       ARG   4 -13.375 -11.900  -3.493
  476    HE   ARG   4           HE       ARG   4 -12.930 -12.207  -5.742
  477   1HH1  ARG   4          1HH2      ARG   4 -14.231 -15.188  -4.402
  478   2HH1  ARG   4          2HH2      ARG   4 -14.803 -15.814  -5.925
  479   1HH2  ARG   4          1HH1      ARG   4 -13.592 -13.013  -7.756
  480   2HH2  ARG   4          2HH1      ARG   4 -14.394 -14.554  -7.891
  481    H    GLU   5           H        GLU   5  -7.832 -11.528  -3.359
  482    HA   GLU   5           HA       GLU   5  -8.200  -8.576  -3.185
  483   1HB   GLU   5          1HB       GLU   5  -6.577 -10.404  -1.355
  484   2HB   GLU   5          2HB       GLU   5  -6.563  -8.630  -1.313
  485   1HG   GLU   5          1HG       GLU   5  -9.004  -8.622  -0.818
  486   2HG   GLU   5          2HG       GLU   5  -8.997 -10.392  -0.793
  487    H    LEU   6           H        LEU   6  -5.375  -8.177  -2.823
  488    HA   LEU   6           HA       LEU   6  -3.671  -7.641  -4.227
  489   1HB   LEU   6          1HB       LEU   6  -3.914 -10.549  -5.064
  490   2HB   LEU   6          2HB       LEU   6  -2.632  -9.427  -5.481
  491    HG   LEU   6           HG       LEU   6  -2.365  -9.168  -2.788
  492   1HD1  LEU   6          1HD1      LEU   6  -4.405 -10.583  -2.367
  493   2HD1  LEU   6          2HD1      LEU   6  -3.481 -11.954  -2.989
  494   3HD1  LEU   6          3HD1      LEU   6  -2.926 -11.040  -1.556
  495   1HD2  LEU   6          1HD2      LEU   6  -1.408 -11.699  -4.162
  496   2HD2  LEU   6          2HD2      LEU   6  -0.793 -10.116  -4.657
  497   3HD2  LEU   6          3HD2      LEU   6  -0.551 -10.636  -3.017
  498    H    LEU   7           H        LEU   7  -6.061  -6.751  -5.082
  499    HA   LEU   7           HA       LEU   7  -5.487  -5.794  -7.550
  500   1HB   LEU   7          1HB       LEU   7  -7.386  -6.691  -8.931
  501   2HB   LEU   7          2HB       LEU   7  -5.916  -7.644  -8.840
  502    HG   LEU   7           HG       LEU   7  -7.671  -8.672  -6.805
  503   1HD1  LEU   7          1HD1      LEU   7  -9.540  -7.530  -8.010
  504   2HD1  LEU   7          2HD1      LEU   7  -9.066  -8.383  -9.494
  505   3HD1  LEU   7          3HD1      LEU   7  -9.640  -9.298  -8.085
  506   1HD2  LEU   7          1HD2      LEU   7  -6.913  -9.716  -9.571
  507   2HD2  LEU   7          2HD2      LEU   7  -6.020  -9.994  -8.062
  508   3HD2  LEU   7          3HD2      LEU   7  -7.635 -10.677  -8.269
  509    H    LYS   8           H        LYS   8  -8.525  -6.943  -5.995
  510    HA   LYS   8           HA       LYS   8  -9.898  -4.677  -6.730
  511   1HB   LYS   8          1HB       LYS   8 -10.515  -7.098  -5.509
  512   2HB   LYS   8          2HB       LYS   8 -10.892  -5.973  -4.210
  513   1HG   LYS   8          1HG       LYS   8 -11.920  -5.710  -7.079
  514   2HG   LYS   8          2HG       LYS   8 -12.760  -6.627  -5.826
  515   1HD   LYS   8          1HD       LYS   8 -13.096  -4.683  -4.450
  516   2HD   LYS   8          2HD       LYS   8 -12.063  -3.672  -5.483
  517   1HE   LYS   8          1HE       LYS   8 -13.607  -3.826  -7.341
  518   2HE   LYS   8          2HE       LYS   8 -14.614  -5.012  -6.486
  519   1HZ   LYS   8          1HZ       LYS   8 -15.153  -3.358  -4.889
  520   2HZ   LYS   8          2HZ       LYS   8 -14.164  -2.248  -5.601
  521   3HZ   LYS   8          3HZ       LYS   8 -15.503  -2.791  -6.395
  522    H    LEU   9           H        LEU   9  -8.188  -5.309  -3.713
  523    HA   LEU   9           HA       LEU   9  -8.963  -2.781  -2.481
  524   1HB   LEU   9          1HB       LEU   9  -6.858  -4.866  -1.779
  525   2HB   LEU   9          2HB       LEU   9  -7.131  -3.412  -0.821
  526    HG   LEU   9           HG       LEU   9  -9.272  -5.523  -1.335
  527   1HD1  LEU   9          1HD1      LEU   9  -7.371  -6.383   0.003
  528   2HD1  LEU   9          2HD1      LEU   9  -7.527  -5.010   1.117
  529   3HD1  LEU   9          3HD1      LEU   9  -8.832  -6.209   0.994
  530   1HD2  LEU   9          1HD2      LEU   9  -9.152  -3.111   0.546
  531   2HD2  LEU   9          2HD2      LEU   9 -10.277  -3.325  -0.811
  532   3HD2  LEU   9          3HD2      LEU   9 -10.395  -4.373   0.603
  533    H    GLU  10           H        GLU  10  -6.612  -3.729  -4.811
  534    HA   GLU  10           HA       GLU  10  -4.756  -1.540  -4.278
  535   1HB   GLU  10          1HB       GLU  10  -5.069  -3.487  -6.614
  536   2HB   GLU  10          2HB       GLU  10  -3.868  -2.242  -6.431
  537   1HG   GLU  10          1HG       GLU  10  -3.028  -4.521  -5.967
  538   2HG   GLU  10          2HG       GLU  10  -2.726  -3.342  -4.710
  539    H    LEU  11           H        LEU  11  -7.380  -2.378  -6.578
  540    HA   LEU  11           HA       LEU  11  -7.151  -0.204  -8.348
  541   1HB   LEU  11          1HB       LEU  11  -8.662  -2.228  -8.597
  542   2HB   LEU  11          2HB       LEU  11  -9.678  -1.583  -7.310
  543    HG   LEU  11           HG       LEU  11  -9.950   0.524  -8.868
  544   1HD1  LEU  11          1HD1      LEU  11  -8.183  -0.153 -10.504
  545   2HD1  LEU  11          2HD1      LEU  11  -9.129  -1.603 -10.900
  546   3HD1  LEU  11          3HD1      LEU  11  -9.777   0.009 -11.263
  547   1HD2  LEU  11          1HD2      LEU  11 -11.218  -2.159  -9.534
  548   2HD2  LEU  11          2HD2      LEU  11 -11.761  -1.012  -8.288
  549   3HD2  LEU  11          3HD2      LEU  11 -11.846  -0.562  -9.999
  550    H    GLN  12           H        GLN  12  -9.091  -0.398  -5.345
  551    HA   GLN  12           HA       GLN  12 -10.227   2.194  -5.516
  552   1HB   GLN  12          1HB       GLN  12 -10.371   2.012  -2.985
  553   2HB   GLN  12          2HB       GLN  12 -11.169   0.730  -3.907
  554   1HG   GLN  12          1HG       GLN  12  -9.547  -0.854  -3.393
  555   2HG   GLN  12          2HG       GLN  12  -8.315   0.372  -3.056
  556   1HE2  GLN  12          2HE2      GLN  12  -7.774  -0.759  -1.145
  557   2HE2  GLN  12          1HE2      GLN  12  -8.767  -0.562   0.303
  558    H    LEU  13           H        LEU  13  -6.880   1.338  -4.708
  559    HA   LEU  13           HA       LEU  13  -6.396   3.762  -3.169
  560   1HB   LEU  13          1HB       LEU  13  -4.369   1.831  -4.381
  561   2HB   LEU  13          2HB       LEU  13  -4.084   3.151  -3.262
  562    HG   LEU  13           HG       LEU  13  -5.258   0.452  -2.760
  563   1HD1  LEU  13          1HD1      LEU  13  -2.873   1.057  -2.322
  564   2HD1  LEU  13          2HD1      LEU  13  -3.406   2.268  -1.159
  565   3HD1  LEU  13          3HD1      LEU  13  -3.736   0.545  -0.857
  566   1HD2  LEU  13          1HD2      LEU  13  -5.903   2.901  -1.066
  567   2HD2  LEU  13          2HD2      LEU  13  -7.071   1.824  -1.835
  568   3HD2  LEU  13          3HD2      LEU  13  -6.084   1.213  -0.515
  569    H    ILE  14           H        ILE  14  -5.658   2.487  -6.438
  570    HA   ILE  14           HA       ILE  14  -4.418   4.867  -7.455
  571    HB   ILE  14           HB       ILE  14  -5.858   2.456  -8.606
  572   1HG1  ILE  14          1HG1      ILE  14  -3.763   2.047  -9.648
  573   2HG1  ILE  14          2HG1      ILE  14  -3.184   3.695  -9.378
  574   1HG2  ILE  14          1HG2      ILE  14  -6.755   4.227 -10.048
  575   2HG2  ILE  14          2HG2      ILE  14  -5.126   4.912 -10.264
  576   3HG2  ILE  14          3HG2      ILE  14  -5.526   3.308 -10.907
  577   1HD1  ILE  14          1HD1      ILE  14  -2.925   3.276  -6.978
  578   2HD1  ILE  14          2HD1      ILE  14  -3.683   1.675  -7.156
  579   3HD1  ILE  14          3HD1      ILE  14  -2.112   2.028  -7.901
  580    H    LYS  15           H        LYS  15  -7.875   3.939  -7.278
  581    HA   LYS  15           HA       LYS  15  -8.841   6.323  -8.447
  582   1HB   LYS  15          1HB       LYS  15  -9.919   3.946  -7.347
  583   2HB   LYS  15          2HB       LYS  15 -10.482   5.192  -6.268
  584   1HG   LYS  15          1HG       LYS  15 -12.168   5.101  -7.892
  585   2HG   LYS  15          2HG       LYS  15 -11.185   6.444  -8.491
  586   1HD   LYS  15          1HD       LYS  15  -9.928   4.680  -9.935
  587   2HD   LYS  15          2HD       LYS  15 -11.119   3.505  -9.370
  588   1HE   LYS  15          1HE       LYS  15 -11.876   4.226 -11.510
  589   2HE   LYS  15          2HE       LYS  15 -12.946   5.001 -10.331
  590   1HZ   LYS  15          1HZ       LYS  15 -11.606   6.991 -10.565
  591   2HZ   LYS  15          2HZ       LYS  15 -10.633   6.241 -11.664
  592   3HZ   LYS  15          3HZ       LYS  15 -12.218   6.518 -12.020
  593    H    GLN  16           H        GLN  16  -8.164   5.492  -5.019
  594    HA   GLN  16           HA       GLN  16  -9.122   8.041  -4.023
  595   1HB   GLN  16          1HB       GLN  16  -7.769   5.641  -2.816
  596   2HB   GLN  16          2HB       GLN  16  -7.570   7.180  -1.989
  597   1HG   GLN  16          1HG       GLN  16  -9.460   6.100  -1.032
  598   2HG   GLN  16          2HG       GLN  16  -9.998   7.533  -1.903
  599   1HE2  GLN  16          2HE2      GLN  16 -10.489   4.158  -1.479
  600   2HE2  GLN  16          1HE2      GLN  16 -11.592   3.954  -2.828
  601    H    TYR  17           H        TYR  17  -6.072   6.949  -5.288
  602    HA   TYR  17           HA       TYR  17  -4.416   9.061  -4.238
  603   1HB   TYR  17          1HB       TYR  17  -4.194   6.838  -6.193
  604   2HB   TYR  17          2HB       TYR  17  -3.423   8.288  -6.728
  605    HD1  TYR  17           HD1      TYR  17  -1.238   8.816  -6.113
  606    HD2  TYR  17           HD2      TYR  17  -3.564   6.035  -3.762
  607    HE1  TYR  17           HE1      TYR  17   0.816   8.031  -4.988
  608    HE2  TYR  17           HE2      TYR  17  -1.557   5.425  -2.512
  609    HH   TYR  17           HH       TYR  17   0.679   5.864  -2.193
  610    H    ARG  18           H        ARG  18  -6.533   8.638  -7.042
  611    HA   ARG  18           HA       ARG  18  -5.613  11.065  -8.408
  612   1HB   ARG  18          1HB       ARG  18  -8.195   9.479  -8.759
  613   2HB   ARG  18          2HB       ARG  18  -7.692  10.851  -9.755
  614   1HG   ARG  18          1HG       ARG  18  -5.655   9.591 -10.463
  615   2HG   ARG  18          2HG       ARG  18  -6.195   8.227  -9.483
  616   1HD   ARG  18          1HD       ARG  18  -8.424   8.428 -10.887
  617   2HD   ARG  18          2HD       ARG  18  -7.402   9.358 -12.009
  618    HE   ARG  18           HE       ARG  18  -6.245   6.813 -11.186
  619   1HH1  ARG  18          1HH2      ARG  18  -8.479   8.312 -13.468
  620   2HH1  ARG  18          2HH2      ARG  18  -8.468   6.978 -14.587
  621   1HH2  ARG  18          1HH1      ARG  18  -6.238   5.043 -12.607
  622   2HH2  ARG  18          2HH1      ARG  18  -7.162   5.064 -14.079
  623    H    GLU  19           H        GLU  19  -8.312  10.065  -6.430
  624    HA   GLU  19           HA       GLU  19  -9.606  12.531  -6.076
  625   1HB   GLU  19          1HB       GLU  19 -10.396  10.239  -5.311
  626   2HB   GLU  19          2HB       GLU  19  -9.315  10.432  -3.918
  627   1HG   GLU  19          1HG       GLU  19 -10.524  12.493  -3.265
  628   2HG   GLU  19          2HG       GLU  19 -11.591  12.308  -4.669
  629    H    ALA  20           H        ALA  20  -6.815  11.148  -4.164
  630    HA   ALA  20           HA       ALA  20  -6.831  13.469  -2.413
  631   1HB   ALA  20          1HB       ALA  20  -6.013  11.394  -1.649
  632   2HB   ALA  20          2HB       ALA  20  -4.799  11.302  -2.945
  633   3HB   ALA  20          3HB       ALA  20  -4.643  12.526  -1.656
  634    H    LEU  21           H        LEU  21  -5.150  12.716  -5.470
  635    HA   LEU  21           HA       LEU  21  -3.194  14.694  -5.345
  636   1HB   LEU  21          1HB       LEU  21  -3.748  12.813  -7.084
  637   2HB   LEU  21          2HB       LEU  21  -4.593  14.080  -7.966
  638    HG   LEU  21           HG       LEU  21  -1.697  14.373  -7.012
  639   1HD1  LEU  21          1HD1      LEU  21  -1.816  12.264  -8.231
  640   2HD1  LEU  21          2HD1      LEU  21  -2.757  13.037  -9.518
  641   3HD1  LEU  21          3HD1      LEU  21  -1.058  13.514  -9.247
  642   1HD2  LEU  21          1HD2      LEU  21  -3.172  15.566  -9.405
  643   2HD2  LEU  21          2HD2      LEU  21  -2.619  16.457  -7.964
  644   3HD2  LEU  21          3HD2      LEU  21  -1.442  15.754  -9.064
  645    H    GLU  22           H        GLU  22  -6.635  15.064  -5.951
  646    HA   GLU  22           HA       GLU  22  -6.588  17.681  -7.148
  647   1HB   GLU  22          1HB       GLU  22  -8.676  16.335  -5.373
  648   2HB   GLU  22          2HB       GLU  22  -8.949  17.801  -6.313
  649   1HG   GLU  22          1HG       GLU  22  -8.096  15.206  -7.681
  650   2HG   GLU  22          2HG       GLU  22  -9.774  15.538  -7.263
  651    H    TYR  23           H        TYR  23  -6.550  16.460  -3.834
  652    HA   TYR  23           HA       TYR  23  -6.726  19.127  -2.630
  653   1HB   TYR  23          1HB       TYR  23  -7.162  16.391  -1.805
  654   2HB   TYR  23          2HB       TYR  23  -5.900  17.043  -0.792
  655    HD1  TYR  23           HD1      TYR  23  -6.349  19.022   0.666
  656    HD2  TYR  23           HD2      TYR  23  -9.444  17.266  -1.767
  657    HE1  TYR  23           HE1      TYR  23  -8.068  20.171   2.024
  658    HE2  TYR  23           HE2      TYR  23 -11.164  18.436  -0.417
  659    HH   TYR  23           HH       TYR  23 -10.310  20.554   2.331
  660    H    VAL  24           H        VAL  24  -4.301  16.620  -3.261
  661    HA   VAL  24           HA       VAL  24  -2.325  18.014  -1.597
  662    HB   VAL  24           HB       VAL  24  -2.123  15.419  -3.156
  663   1HG1  VAL  24          1HG1      VAL  24   0.135  16.245  -2.764
  664   2HG1  VAL  24          2HG1      VAL  24  -0.276  16.733  -1.106
  665   3HG1  VAL  24          3HG1      VAL  24  -0.193  15.018  -1.533
  666   1HG2  VAL  24          1HG2      VAL  24  -2.554  15.960  -0.178
  667   2HG2  VAL  24          2HG2      VAL  24  -3.808  15.376  -1.281
  668   3HG2  VAL  24          3HG2      VAL  24  -2.400  14.367  -0.946
  669    H    LYS  25           H        LYS  25  -3.042  17.870  -4.998
  670    HA   LYS  25           HA       LYS  25  -2.090  18.797  -6.834
  671   1HB   LYS  25          1HB       LYS  25  -1.530  20.894  -4.709
  672   2HB   LYS  25          2HB       LYS  25  -1.365  21.160  -6.445
  673   1HG   LYS  25          1HG       LYS  25  -3.970  19.957  -5.873
  674   2HG   LYS  25          2HG       LYS  25  -3.744  21.382  -4.869
  675   1HD   LYS  25          1HD       LYS  25  -3.277  21.316  -7.889
  676   2HD   LYS  25          2HD       LYS  25  -4.809  21.786  -7.139
  677   1HE   LYS  25          1HE       LYS  25  -3.806  23.690  -6.028
  678   2HE   LYS  25          2HE       LYS  25  -2.172  23.211  -6.502
  679   1HZ   LYS  25          1HZ       LYS  25  -2.766  23.558  -8.773
  680   2HZ   LYS  25          2HZ       LYS  25  -4.295  24.016  -8.354
  681   3HZ   LYS  25          3HZ       LYS  25  -3.001  24.928  -7.891
  682    H    LEU  26           H        LEU  26  -0.413  16.890  -6.510
  683    HA   LEU  26           HA       LEU  26   2.240  18.169  -6.923
  684   1HB   LEU  26          1HB       LEU  26   1.813  17.066  -4.604
  685   2HB   LEU  26          2HB       LEU  26   2.036  15.533  -5.444
  686    HG   LEU  26           HG       LEU  26   4.041  17.847  -5.529
  687   1HD1  LEU  26          1HD1      LEU  26   3.687  17.123  -3.181
  688   2HD1  LEU  26          2HD1      LEU  26   4.046  15.447  -3.649
  689   3HD1  LEU  26          3HD1      LEU  26   5.298  16.703  -3.769
  690   1HD2  LEU  26          1HD2      LEU  26   4.358  14.859  -6.031
  691   2HD2  LEU  26          2HD2      LEU  26   4.368  16.112  -7.296
  692   3HD2  LEU  26          3HD2      LEU  26   5.669  16.057  -6.111
  693    HA   PRO  27           HA       PRO  27   1.128  15.900 -10.635
  694   1HB   PRO  27          1HB       PRO  27   3.462  16.182 -12.117
  695   2HB   PRO  27          2HB       PRO  27   2.192  17.424 -11.953
  696   1HG   PRO  27          1HG       PRO  27   4.770  17.201 -10.389
  697   2HG   PRO  27          2HG       PRO  27   4.059  18.657 -11.140
  698   1HD   PRO  27          1HD       PRO  27   3.768  18.163  -8.505
  699   2HD   PRO  27          2HD       PRO  27   2.391  18.821  -9.435
  700    H    VAL  28           H        VAL  28   4.330  15.316  -9.140
  701    HA   VAL  28           HA       VAL  28   4.855  12.801 -10.179
  702    HB   VAL  28           HB       VAL  28   5.554  13.708  -7.420
  703   1HG1  VAL  28          1HG1      VAL  28   5.989  11.362  -7.633
  704   2HG1  VAL  28          2HG1      VAL  28   6.778  11.591  -9.210
  705   3HG1  VAL  28          3HG1      VAL  28   7.528  12.207  -7.720
  706   1HG2  VAL  28          1HG2      VAL  28   7.118  14.044 -10.009
  707   2HG2  VAL  28          2HG2      VAL  28   6.380  15.369  -9.073
  708   3HG2  VAL  28          3HG2      VAL  28   7.707  14.435  -8.383
  709    H    LEU  29           H        LEU  29   2.266  13.562  -7.778
  710    HA   LEU  29           HA       LEU  29   2.151  10.910  -6.685
  711   1HB   LEU  29          1HB       LEU  29   0.338  13.317  -6.842
  712   2HB   LEU  29          2HB       LEU  29  -0.356  11.775  -6.477
  713    HG   LEU  29           HG       LEU  29   1.926  12.937  -4.851
  714   1HD1  LEU  29          1HD1      LEU  29  -0.048  14.420  -4.737
  715   2HD1  LEU  29          2HD1      LEU  29  -1.100  13.027  -4.404
  716   3HD1  LEU  29          3HD1      LEU  29   0.132  13.513  -3.222
  717   1HD2  LEU  29          1HD2      LEU  29  -0.091  10.690  -4.326
  718   2HD2  LEU  29          2HD2      LEU  29   1.649  10.468  -4.594
  719   3HD2  LEU  29          3HD2      LEU  29   1.083  11.302  -3.147
  720    H    ALA  30           H        ALA  30   0.801  12.515  -9.612
  721    HA   ALA  30           HA       ALA  30  -1.080  10.341 -10.064
  722   1HB   ALA  30          1HB       ALA  30  -1.548  12.485 -11.220
  723   2HB   ALA  30          2HB       ALA  30   0.062  12.494 -11.958
  724   3HB   ALA  30          3HB       ALA  30  -1.142  11.290 -12.438
  725    H    LYS  31           H        LYS  31   2.280  11.372 -10.926
  726    HA   LYS  31           HA       LYS  31   2.605   9.384 -12.964
  727   1HB   LYS  31          1HB       LYS  31   3.986  11.602 -12.547
  728   2HB   LYS  31          2HB       LYS  31   4.942  10.594 -11.441
  729   1HG   LYS  31          1HG       LYS  31   5.226   8.963 -13.421
  730   2HG   LYS  31          2HG       LYS  31   4.462  10.205 -14.424
  731   1HD   LYS  31          1HD       LYS  31   6.313  11.813 -13.574
  732   2HD   LYS  31          2HD       LYS  31   7.063  10.392 -12.827
  733   1HE   LYS  31          1HE       LYS  31   8.150  10.742 -14.949
  734   2HE   LYS  31          2HE       LYS  31   7.139   9.297 -15.111
  735   1HZ   LYS  31          1HZ       LYS  31   5.493  10.662 -16.193
  736   2HZ   LYS  31          2HZ       LYS  31   6.424  12.008 -16.008
  737   3HZ   LYS  31          3HZ       LYS  31   6.933  10.778 -16.978
  738    H    ILE  32           H        ILE  32   3.077   9.384  -9.490
  739    HA   ILE  32           HA       ILE  32   4.613   6.903  -9.394
  740    HB   ILE  32           HB       ILE  32   2.977   8.479  -7.347
  741   1HG1  ILE  32          1HG1      ILE  32   5.929   7.758  -7.250
  742   2HG1  ILE  32          2HG1      ILE  32   5.380   9.169  -8.150
  743   1HG2  ILE  32          1HG2      ILE  32   2.655   6.204  -6.690
  744   2HG2  ILE  32          2HG2      ILE  32   4.281   5.757  -7.218
  745   3HG2  ILE  32          3HG2      ILE  32   4.056   6.712  -5.738
  746   1HD1  ILE  32          1HD1      ILE  32   4.343  10.111  -6.115
  747   2HD1  ILE  32          2HD1      ILE  32   4.861   8.699  -5.172
  748   3HD1  ILE  32          3HD1      ILE  32   6.067   9.781  -5.876
  749    H    LEU  33           H        LEU  33   1.179   7.992  -9.007
  750    HA   LEU  33           HA       LEU  33   0.411   5.381  -8.478
  751   1HB   LEU  33          1HB       LEU  33  -1.811   6.228  -8.281
  752   2HB   LEU  33          2HB       LEU  33  -0.773   7.626  -7.990
  753    HG   LEU  33           HG       LEU  33  -1.102   8.264 -10.348
  754   1HD1  LEU  33          1HD1      LEU  33  -1.941   6.688 -11.722
  755   2HD1  LEU  33          2HD1      LEU  33  -2.801   5.860 -10.397
  756   3HD1  LEU  33          3HD1      LEU  33  -3.473   7.329 -11.159
  757   1HD2  LEU  33          1HD2      LEU  33  -3.640   8.101  -8.789
  758   2HD2  LEU  33          2HD2      LEU  33  -2.288   9.221  -8.390
  759   3HD2  LEU  33          3HD2      LEU  33  -3.150   9.370  -9.931
  760    H    GLU  34           H        GLU  34   0.827   6.997 -11.541
  761    HA   GLU  34           HA       GLU  34  -0.524   5.175 -13.208
  762   1HB   GLU  34          1HB       GLU  34   0.716   7.393 -13.766
  763   2HB   GLU  34          2HB       GLU  34   2.196   6.463 -13.764
  764   1HG   GLU  34          1HG       GLU  34   1.195   4.954 -15.539
  765   2HG   GLU  34          2HG       GLU  34  -0.202   6.043 -15.603
  766    H    ASP  35           H        ASP  35   2.775   5.160 -11.932
  767    HA   ASP  35           HA       ASP  35   3.633   2.694 -13.070
  768   1HB   ASP  35          1HB       ASP  35   5.007   4.534 -11.839
  769   2HB   ASP  35          2HB       ASP  35   4.582   3.662 -10.356
  770    H    GLU  36           H        GLU  36   2.163   3.432  -9.891
  771    HA   GLU  36           HA       GLU  36   1.962   0.791  -8.926
  772   1HB   GLU  36          1HB       GLU  36  -0.058   3.003  -8.456
  773   2HB   GLU  36          2HB       GLU  36   0.200   1.563  -7.464
  774   1HG   GLU  36          1HG       GLU  36   2.310   3.738  -7.860
  775   2HG   GLU  36          2HG       GLU  36   1.207   3.661  -6.509
  776    H    GLU  37           H        GLU  37  -0.454   2.606 -10.950
  777    HA   GLU  37           HA       GLU  37  -2.370   0.703 -11.255
  778   1HB   GLU  37          1HB       GLU  37  -1.835   3.202 -12.244
  779   2HB   GLU  37          2HB       GLU  37  -1.493   2.268 -13.690
  780   1HG   GLU  37          1HG       GLU  37  -4.032   1.998 -12.024
  781   2HG   GLU  37          2HG       GLU  37  -3.781   3.227 -13.263
  782    H    LYS  38           H        LYS  38   0.741   0.973 -13.021
  783    HA   LYS  38           HA       LYS  38   0.193  -1.209 -14.773
  784   1HB   LYS  38          1HB       LYS  38   2.005   0.663 -14.922
  785   2HB   LYS  38          2HB       LYS  38   2.950  -0.351 -13.829
  786   1HG   LYS  38          1HG       LYS  38   3.707  -0.969 -15.983
  787   2HG   LYS  38          2HG       LYS  38   2.587  -2.263 -15.530
  788   1HD   LYS  38          1HD       LYS  38   0.771  -0.862 -16.818
  789   2HD   LYS  38          2HD       LYS  38   2.131   0.074 -17.442
  790   1HE   LYS  38          1HE       LYS  38   3.100  -2.024 -18.399
  791   2HE   LYS  38          2HE       LYS  38   1.759  -2.955 -17.698
  792   1HZ   LYS  38          1HZ       LYS  38   0.243  -1.708 -19.031
  793   2HZ   LYS  38          2HZ       LYS  38   1.474  -0.845 -19.711
  794   3HZ   LYS  38          3HZ       LYS  38   1.357  -2.469 -19.973
  795    H    HIS  39           H        HIS  39   1.933  -1.085 -11.631
  796    HA   HIS  39           HA       HIS  39   2.573  -3.867 -11.502
  797   1HB   HIS  39          1HB       HIS  39   1.953  -1.822  -9.354
  798   2HB   HIS  39          2HB       HIS  39   2.466  -3.457  -8.984
  799    HD1  HIS  39           HD1      HIS  39   4.911  -4.058 -10.561
  800    HD2  HIS  39           HD2      HIS  39   3.967  -0.148  -9.292
  801    HE1  HIS  39           HE1      HIS  39   7.108  -2.721 -10.577
  802    HE2  HIS  39           HE2      HIS  39   6.496  -0.339  -9.805
  803    H    ILE  40           H        ILE  40  -0.424  -2.132 -10.734
  804    HA   ILE  40           HA       ILE  40  -1.685  -4.453  -9.534
  805    HB   ILE  40           HB       ILE  40  -2.787  -1.787 -10.467
  806   1HG1  ILE  40          1HG1      ILE  40  -2.230  -2.772  -7.636
  807   2HG1  ILE  40          2HG1      ILE  40  -0.994  -1.951  -8.536
  808   1HG2  ILE  40          1HG2      ILE  40  -4.611  -3.439 -10.367
  809   2HG2  ILE  40          2HG2      ILE  40  -4.065  -3.987  -8.772
  810   3HG2  ILE  40          3HG2      ILE  40  -4.744  -2.362  -8.983
  811   1HD1  ILE  40          1HD1      ILE  40  -2.324   0.010  -8.899
  812   2HD1  ILE  40          2HD1      ILE  40  -3.688  -0.662  -8.000
  813   3HD1  ILE  40          3HD1      ILE  40  -2.150  -0.337  -7.164
  814    H    GLU  41           H        GLU  41  -1.784  -2.862 -12.695
  815    HA   GLU  41           HA       GLU  41  -3.691  -4.314 -14.086
  816   1HB   GLU  41          1HB       GLU  41  -2.218  -2.391 -14.945
  817   2HB   GLU  41          2HB       GLU  41  -0.929  -3.589 -15.150
  818   1HG   GLU  41          1HG       GLU  41  -2.673  -4.892 -16.581
  819   2HG   GLU  41          2HG       GLU  41  -3.534  -3.343 -16.628
  820    H    TRP  42           H        TRP  42  -0.248  -5.165 -13.394
  821    HA   TRP  42           HA       TRP  42  -0.009  -7.529 -14.736
  822   1HB   TRP  42          1HB       TRP  42   1.625  -6.164 -13.268
  823   2HB   TRP  42          2HB       TRP  42   1.015  -7.110 -11.917
  824    HD1  TRP  42           HD1      TRP  42   2.816  -7.566 -15.225
  825    HE1  TRP  42           HE1      TRP  42   3.854  -9.928 -15.342
  826    HE3  TRP  42           HE3      TRP  42   1.023  -9.356 -10.875
  827    HZ2  TRP  42           HZ2      TRP  42   3.750 -12.374 -13.757
  828    HZ3  TRP  42           HZ3      TRP  42   1.453 -11.736 -10.167
  829    HH2  TRP  42           HH2      TRP  42   2.690 -13.266 -11.697
  830    H    LEU  43           H        LEU  43  -1.651  -6.936 -11.694
  831    HA   LEU  43           HA       LEU  43  -2.034  -9.755 -10.983
  832   1HB   LEU  43          1HB       LEU  43  -3.445  -7.332  -9.824
  833   2HB   LEU  43          2HB       LEU  43  -3.290  -8.941  -9.133
  834    HG   LEU  43           HG       LEU  43  -0.832  -7.215  -9.656
  835   1HD1  LEU  43          1HD1      LEU  43  -2.656  -6.062  -8.154
  836   2HD1  LEU  43          2HD1      LEU  43  -2.145  -7.245  -6.940
  837   3HD1  LEU  43          3HD1      LEU  43  -0.975  -6.121  -7.630
  838   1HD2  LEU  43          1HD2      LEU  43  -1.384  -9.414  -7.622
  839   2HD2  LEU  43          2HD2      LEU  43  -0.509  -9.638  -9.144
  840   3HD2  LEU  43          3HD2      LEU  43   0.161  -8.578  -7.891
  841    H    GLU  44           H        GLU  44  -3.999  -6.990 -12.143
  842    HA   GLU  44           HA       GLU  44  -6.351  -8.684 -12.635
  843   1HB   GLU  44          1HB       GLU  44  -5.822  -5.753 -13.305
  844   2HB   GLU  44          2HB       GLU  44  -7.363  -6.606 -13.489
  845   1HG   GLU  44          1HG       GLU  44  -7.299  -7.188 -11.068
  846   2HG   GLU  44          2HG       GLU  44  -5.882  -6.130 -10.870
  847    H    THR  45           H        THR  45  -4.007  -9.522 -14.026
  848    HA   THR  45           HA       THR  45  -5.271  -9.838 -16.622
  849    HB   THR  45           HB       THR  45  -3.828  -7.661 -16.563
  850    HG1  THR  45           HG1      THR  45  -4.788  -8.481 -18.403
  851   1HG2  THR  45          1HG2      THR  45  -1.755  -8.569 -15.735
  852   2HG2  THR  45          2HG2      THR  45  -1.576  -9.557 -17.204
  853   3HG2  THR  45          3HG2      THR  45  -1.581  -7.779 -17.296
  854    H    ILE  46           H        ILE  46  -2.296 -10.221 -14.769
  855    HA   ILE  46           HA       ILE  46  -0.832 -11.895 -14.535
  856    HB   ILE  46           HB       ILE  46  -2.603 -12.262 -12.918
  857   1HG1  ILE  46          1HG1      ILE  46  -2.014 -14.899 -12.647
  858   2HG1  ILE  46          2HG1      ILE  46  -0.720 -14.398 -13.748
  859   1HG2  ILE  46          1HG2      ILE  46  -4.529 -12.802 -14.125
  860   2HG2  ILE  46          2HG2      ILE  46  -3.831 -14.293 -14.776
  861   3HG2  ILE  46          3HG2      ILE  46  -4.165 -14.134 -13.042
  862   1HD1  ILE  46          1HD1      ILE  46  -0.247 -12.470 -12.230
  863   2HD1  ILE  46          2HD1      ILE  46  -1.413 -13.143 -11.072
  864   3HD1  ILE  46          3HD1      ILE  46   0.047 -14.065 -11.494
  865    H    LEU  47           H        LEU  47  -1.947 -14.814 -15.302
  866    HA   LEU  47           HA       LEU  47  -1.158 -16.271 -16.899
  867   1HB   LEU  47          1HB       LEU  47  -3.152 -14.413 -18.204
  868   2HB   LEU  47          2HB       LEU  47  -2.589 -15.857 -19.045
  869    HG   LEU  47           HG       LEU  47  -3.667 -16.127 -16.230
  870   1HD1  LEU  47          1HD1      LEU  47  -5.389 -14.893 -17.455
  871   2HD1  LEU  47          2HD1      LEU  47  -5.309 -16.062 -18.793
  872   3HD1  LEU  47          3HD1      LEU  47  -5.895 -16.572 -17.193
  873   1HD2  LEU  47          1HD2      LEU  47  -3.640 -17.988 -18.651
  874   2HD2  LEU  47          2HD2      LEU  47  -2.498 -18.070 -17.296
  875   3HD2  LEU  47          3HD2      LEU  47  -4.217 -18.389 -17.023
  876    H    GLY  48           H        GLY  48   0.874 -14.367 -16.599
  877   1HA   GLY  48          1HA       GLY  48   1.823 -13.481 -19.184
  878   2HA   GLY  48          2HA       GLY  48   2.726 -13.524 -17.663
  879   1HN   NH2  49          1HN       NH2  49   2.716 -16.924 -20.126
  880   2HN   NH2  49          2HN       NH2  49   1.336 -15.795 -20.062
  Start of MODEL    8
    1   1H    ACE   0          H1        ACE   0   2.879 -19.749  -6.773
    2   2H    ACE   0          H2        ACE   0   4.292 -20.818  -6.891
    3   3H    ACE   0          H3        ACE   0   3.059 -20.905  -8.162
    4    H    ASP   1           H        ASP   1   5.915 -20.069  -7.963
    5    HA   ASP   1           HA       ASP   1   6.176 -17.580  -8.945
    6   1HB   ASP   1          1HB       ASP   1   8.198 -18.909  -8.654
    7   2HB   ASP   1          2HB       ASP   1   7.452 -20.352  -9.308
    8    H    TYR   2           H        TYR   2   4.965 -20.326 -10.635
    9    HA   TYR   2           HA       TYR   2   4.489 -18.877 -13.051
   10   1HB   TYR   2          1HB       TYR   2   3.954 -20.731 -13.930
   11   2HB   TYR   2          2HB       TYR   2   4.968 -21.351 -12.653
   12    HD1  TYR   2           HD1      TYR   2   3.446 -21.853 -10.389
   13    HD2  TYR   2           HD2      TYR   2   1.611 -20.942 -14.004
   14    HE1  TYR   2           HE1      TYR   2   1.426 -23.113  -9.705
   15    HE2  TYR   2           HE2      TYR   2  -0.194 -22.633 -13.644
   16    HH   TYR   2           HH       TYR   2  -0.618 -23.962 -10.360
   17    H    LEU   3           H        LEU   3   2.179 -20.232 -10.622
   18    HA   LEU   3           HA       LEU   3   0.585 -17.974 -10.510
   19   1HB   LEU   3          1HB       LEU   3  -0.987 -18.070 -12.010
   20   2HB   LEU   3          2HB       LEU   3   0.062 -19.217 -12.824
   21    HG   LEU   3           HG       LEU   3  -1.035 -20.951 -11.421
   22   1HD1  LEU   3          1HD1      LEU   3  -2.556 -19.178 -10.166
   23   2HD1  LEU   3          2HD1      LEU   3  -3.384 -18.953 -11.692
   24   3HD1  LEU   3          3HD1      LEU   3  -3.451 -20.530 -10.883
   25   1HD2  LEU   3          1HD2      LEU   3  -1.208 -20.706 -13.951
   26   2HD2  LEU   3          2HD2      LEU   3  -2.643 -21.441 -13.212
   27   3HD2  LEU   3          3HD2      LEU   3  -2.660 -19.740 -13.723
   28    H    ARG   4           H        ARG   4   1.712 -18.636  -8.529
   29    HA   ARG   4           HA       ARG   4  -0.787 -18.718  -7.145
   30   1HB   ARG   4          1HB       ARG   4  -0.172 -20.368  -5.263
   31   2HB   ARG   4          2HB       ARG   4  -0.993 -20.870  -6.740
   32   1HG   ARG   4          1HG       ARG   4   1.178 -21.563  -7.681
   33   2HG   ARG   4          2HG       ARG   4   1.888 -21.328  -6.026
   34   1HD   ARG   4          1HD       ARG   4   0.688 -23.134  -5.174
   35   2HD   ARG   4          2HD       ARG   4  -0.214 -23.352  -6.699
   36    HE   ARG   4           HE       ARG   4   2.341 -23.389  -7.583
   37   1HH1  ARG   4          1HH2      ARG   4   0.857 -25.247  -4.981
   38   2HH1  ARG   4          2HH2      ARG   4   1.984 -26.571  -5.105
   39   1HH2  ARG   4          1HH1      ARG   4   3.779 -25.080  -7.788
   40   2HH2  ARG   4          2HH1      ARG   4   3.685 -26.478  -6.759
   41    H    GLU   5           H        GLU   5   2.278 -17.592  -7.423
   42    HA   GLU   5           HA       GLU   5   2.414 -16.436  -4.709
   43   1HB   GLU   5          1HB       GLU   5   4.098 -16.305  -7.218
   44   2HB   GLU   5          2HB       GLU   5   4.120 -14.942  -6.115
   45   1HG   GLU   5          1HG       GLU   5   5.924 -16.476  -5.569
   46   2HG   GLU   5          2HG       GLU   5   4.775 -16.332  -4.235
   47    H    LEU   6           H        LEU   6   1.274 -15.624  -7.934
   48    HA   LEU   6           HA       LEU   6   0.863 -12.851  -7.433
   49   1HB   LEU   6          1HB       LEU   6  -0.700 -14.147  -9.602
   50   2HB   LEU   6          2HB       LEU   6   0.066 -12.568  -9.467
   51    HG   LEU   6           HG       LEU   6   2.328 -13.954  -9.631
   52   1HD1  LEU   6          1HD1      LEU   6   0.599 -16.098  -9.569
   53   2HD1  LEU   6          2HD1      LEU   6   0.595 -15.774 -11.300
   54   3HD1  LEU   6          3HD1      LEU   6   2.128 -16.132 -10.470
   55   1HD2  LEU   6          1HD2      LEU   6   0.224 -13.234 -11.682
   56   2HD2  LEU   6          2HD2      LEU   6   1.746 -12.441 -11.234
   57   3HD2  LEU   6          3HD2      LEU   6   1.766 -13.892 -12.228
   58    H    LEU   7           H        LEU   7  -0.638 -15.089  -5.796
   59    HA   LEU   7           HA       LEU   7  -3.086 -13.552  -5.613
   60   1HB   LEU   7          1HB       LEU   7  -4.151 -15.863  -4.872
   61   2HB   LEU   7          2HB       LEU   7  -4.291 -15.237  -6.501
   62    HG   LEU   7           HG       LEU   7  -1.993 -17.079  -5.863
   63   1HD1  LEU   7          1HD1      LEU   7  -3.912 -18.202  -4.866
   64   2HD1  LEU   7          2HD1      LEU   7  -4.846 -17.981  -6.362
   65   3HD1  LEU   7          3HD1      LEU   7  -3.413 -19.032  -6.350
   66   1HD2  LEU   7          1HD2      LEU   7  -3.789 -16.721  -8.316
   67   2HD2  LEU   7          2HD2      LEU   7  -2.159 -16.062  -8.166
   68   3HD2  LEU   7          3HD2      LEU   7  -2.420 -17.808  -8.229
   69    H    LYS   8           H        LYS   8  -1.069 -16.099  -4.090
   70    HA   LYS   8           HA       LYS   8  -2.039 -15.508  -1.559
   71   1HB   LYS   8          1HB       LYS   8  -0.888 -17.607  -2.408
   72   2HB   LYS   8          2HB       LYS   8   0.665 -16.767  -2.254
   73   1HG   LYS   8          1HG       LYS   8   0.315 -16.546   0.184
   74   2HG   LYS   8          2HG       LYS   8  -1.327 -17.208   0.016
   75   1HD   LYS   8          1HD       LYS   8  -0.376 -19.320  -0.905
   76   2HD   LYS   8          2HD       LYS   8   1.264 -18.700  -0.648
   77   1HE   LYS   8          1HE       LYS   8   0.991 -18.709   1.745
   78   2HE   LYS   8          2HE       LYS   8  -0.769 -18.895   1.623
   79   1HZ   LYS   8          1HZ       LYS   8  -0.458 -21.057   0.724
   80   2HZ   LYS   8          2HZ       LYS   8   1.184 -20.925   0.807
   81   3HZ   LYS   8          3HZ       LYS   8   0.284 -20.943   2.189
   82    H    LEU   9           H        LEU   9   0.892 -14.347  -3.251
   83    HA   LEU   9           HA       LEU   9   1.808 -12.795  -0.957
   84   1HB   LEU   9          1HB       LEU   9   2.561 -12.489  -3.875
   85   2HB   LEU   9          2HB       LEU   9   3.341 -11.756  -2.470
   86    HG   LEU   9           HG       LEU   9   3.244 -14.732  -3.108
   87   1HD1  LEU   9          1HD1      LEU   9   4.834 -13.404  -4.502
   88   2HD1  LEU   9          2HD1      LEU   9   5.586 -12.778  -3.016
   89   3HD1  LEU   9          3HD1      LEU   9   5.695 -14.490  -3.397
   90   1HD2  LEU   9          1HD2      LEU   9   4.878 -14.929  -1.192
   91   2HD2  LEU   9          2HD2      LEU   9   4.466 -13.263  -0.736
   92   3HD2  LEU   9          3HD2      LEU   9   3.228 -14.548  -0.701
   93    H    GLU  10           H        GLU  10  -0.223 -12.262  -3.850
   94    HA   GLU  10           HA       GLU  10  -0.469  -9.464  -3.555
   95   1HB   GLU  10          1HB       GLU  10  -2.570 -11.393  -4.596
   96   2HB   GLU  10          2HB       GLU  10  -2.454  -9.654  -4.800
   97   1HG   GLU  10          1HG       GLU  10  -0.595 -11.689  -5.951
   98   2HG   GLU  10          2HG       GLU  10  -1.717 -10.659  -6.858
   99    H    LEU  11           H        LEU  11  -2.387 -12.131  -2.041
  100    HA   LEU  11           HA       LEU  11  -4.236 -10.363  -0.719
  101   1HB   LEU  11          1HB       LEU  11  -4.580 -12.770  -0.996
  102   2HB   LEU  11          2HB       LEU  11  -3.208 -13.152   0.041
  103    HG   LEU  11           HG       LEU  11  -5.329 -11.380   1.230
  104   1HD1  LEU  11          1HD1      LEU  11  -6.717 -12.974   0.020
  105   2HD1  LEU  11          2HD1      LEU  11  -5.796 -14.339   0.687
  106   3HD1  LEU  11          3HD1      LEU  11  -6.783 -13.316   1.754
  107   1HD2  LEU  11          1HD2      LEU  11  -3.828 -13.840   2.257
  108   2HD2  LEU  11          2HD2      LEU  11  -3.374 -12.156   2.584
  109   3HD2  LEU  11          3HD2      LEU  11  -4.898 -12.801   3.213
  110    H    GLN  12           H        GLN  12  -0.969 -11.523   0.220
  111    HA   GLN  12           HA       GLN  12  -1.015 -10.309   2.810
  112   1HB   GLN  12          1HB       GLN  12   1.345 -10.947   1.004
  113   2HB   GLN  12          2HB       GLN  12   1.470 -10.302   2.638
  114   1HG   GLN  12          1HG       GLN  12   0.205 -12.231   3.532
  115   2HG   GLN  12          2HG       GLN  12   0.163 -12.953   1.915
  116   1HE2  GLN  12          2HE2      GLN  12   2.399 -13.237   0.864
  117   2HE2  GLN  12          1HE2      GLN  12   3.722 -13.685   1.932
  118    H    LEU  13           H        LEU  13  -0.887  -8.766  -0.336
  119    HA   LEU  13           HA       LEU  13   0.454  -6.359   0.581
  120   1HB   LEU  13          1HB       LEU  13  -1.438  -6.707  -1.795
  121   2HB   LEU  13          2HB       LEU  13  -0.387  -5.351  -1.452
  122    HG   LEU  13           HG       LEU  13   0.534  -8.167  -2.125
  123   1HD1  LEU  13          1HD1      LEU  13  -0.576  -6.934  -3.945
  124   2HD1  LEU  13          2HD1      LEU  13   0.475  -5.544  -3.693
  125   3HD1  LEU  13          3HD1      LEU  13   1.141  -7.075  -4.284
  126   1HD2  LEU  13          1HD2      LEU  13   1.921  -5.759  -1.059
  127   2HD2  LEU  13          2HD2      LEU  13   2.293  -7.469  -0.847
  128   3HD2  LEU  13          3HD2      LEU  13   2.752  -6.631  -2.343
  129    H    ILE  14           H        ILE  14  -2.937  -7.179  -0.295
  130    HA   ILE  14           HA       ILE  14  -4.108  -4.797   0.812
  131    HB   ILE  14           HB       ILE  14  -5.117  -7.640   0.192
  132   1HG1  ILE  14          1HG1      ILE  14  -6.591  -6.034  -1.338
  133   2HG1  ILE  14          2HG1      ILE  14  -5.335  -4.854  -1.038
  134   1HG2  ILE  14          1HG2      ILE  14  -6.492  -6.884   2.103
  135   2HG2  ILE  14          2HG2      ILE  14  -6.777  -5.323   1.300
  136   3HG2  ILE  14          3HG2      ILE  14  -7.427  -6.824   0.614
  137   1HD1  ILE  14          1HD1      ILE  14  -3.674  -6.332  -2.083
  138   2HD1  ILE  14          2HD1      ILE  14  -4.883  -7.636  -2.211
  139   3HD1  ILE  14          3HD1      ILE  14  -5.068  -6.138  -3.143
  140    H    LYS  15           H        LYS  15  -3.370  -7.895   2.211
  141    HA   LYS  15           HA       LYS  15  -4.326  -7.299   4.839
  142   1HB   LYS  15          1HB       LYS  15  -3.182  -9.509   3.766
  143   2HB   LYS  15          2HB       LYS  15  -1.770  -8.868   4.580
  144   1HG   LYS  15          1HG       LYS  15  -2.550 -10.089   6.326
  145   2HG   LYS  15          2HG       LYS  15  -3.642  -8.727   6.611
  146   1HD   LYS  15          1HD       LYS  15  -5.357  -9.864   5.141
  147   2HD   LYS  15          2HD       LYS  15  -4.209 -11.190   4.881
  148   1HE   LYS  15          1HE       LYS  15  -4.203 -11.621   7.368
  149   2HE   LYS  15          2HE       LYS  15  -5.507 -10.429   7.529
  150   1HZ   LYS  15          1HZ       LYS  15  -6.814 -11.790   6.037
  151   2HZ   LYS  15          2HZ       LYS  15  -5.590 -12.884   5.910
  152   3HZ   LYS  15          3HZ       LYS  15  -6.341 -12.657   7.356
  153    H    GLN  16           H        GLN  16  -0.996  -6.796   3.535
  154    HA   GLN  16           HA       GLN  16   0.007  -5.637   5.989
  155   1HB   GLN  16          1HB       GLN  16   0.943  -5.641   3.092
  156   2HB   GLN  16          2HB       GLN  16   1.796  -4.698   4.306
  157   1HG   GLN  16          1HG       GLN  16   1.265  -7.664   4.719
  158   2HG   GLN  16          2HG       GLN  16   2.676  -7.053   3.837
  159   1HE2  GLN  16          2HE2      GLN  16   3.721  -8.341   5.733
  160   2HE2  GLN  16          1HE2      GLN  16   4.056  -7.368   7.162
  161    H    TYR  17           H        TYR  17  -1.583  -4.354   3.150
  162    HA   TYR  17           HA       TYR  17  -1.012  -1.592   3.581
  163   1HB   TYR  17          1HB       TYR  17  -3.117  -3.195   2.074
  164   2HB   TYR  17          2HB       TYR  17  -3.262  -1.477   2.161
  165    HD1  TYR  17           HD1      TYR  17  -0.487  -0.506   1.781
  166    HD2  TYR  17           HD2      TYR  17  -2.812  -3.459  -0.311
  167    HE1  TYR  17           HE1      TYR  17   0.794  -0.060  -0.271
  168    HE2  TYR  17           HE2      TYR  17  -1.532  -2.999  -2.368
  169    HH   TYR  17           HH       TYR  17   1.217  -0.750  -2.460
  170    H    ARG  18           H        ARG  18  -3.263  -3.808   5.065
  171    HA   ARG  18           HA       ARG  18  -4.953  -1.642   6.145
  172   1HB   ARG  18          1HB       ARG  18  -4.906  -4.655   6.569
  173   2HB   ARG  18          2HB       ARG  18  -5.859  -3.565   7.585
  174   1HG   ARG  18          1HG       ARG  18  -7.050  -2.688   5.644
  175   2HG   ARG  18          2HG       ARG  18  -6.100  -3.717   4.551
  176   1HD   ARG  18          1HD       ARG  18  -7.028  -5.723   5.490
  177   2HD   ARG  18          2HD       ARG  18  -7.809  -4.820   6.817
  178    HE   ARG  18           HE       ARG  18  -8.745  -3.761   4.370
  179   1HH1  ARG  18          1HH2      ARG  18  -8.915  -6.758   6.199
  180   2HH1  ARG  18          2HH2      ARG  18 -10.517  -7.189   5.661
  181   1HH2  ARG  18          1HH1      ARG  18 -10.847  -4.266   3.656
  182   2HH2  ARG  18          2HH1      ARG  18 -11.646  -5.726   4.167
  183    H    GLU  19           H        GLU  19  -2.348  -3.741   7.163
  184    HA   GLU  19           HA       GLU  19  -2.186  -2.838   9.868
  185   1HB   GLU  19          1HB       GLU  19  -1.017  -4.850   8.786
  186   2HB   GLU  19          2HB       GLU  19   0.181  -3.700   8.181
  187   1HG   GLU  19          1HG       GLU  19   0.659  -2.972  10.501
  188   2HG   GLU  19          2HG       GLU  19  -0.563  -4.102  11.109
  189    H    ALA  20           H        ALA  20  -0.561  -1.709   6.843
  190    HA   ALA  20           HA       ALA  20   0.829   0.368   8.418
  191   1HB   ALA  20          1HB       ALA  20   2.163  -0.585   6.789
  192   2HB   ALA  20          2HB       ALA  20   0.887  -0.484   5.575
  193   3HB   ALA  20          3HB       ALA  20   1.745   0.992   6.106
  194    H    LEU  21           H        LEU  21  -2.169   0.269   6.560
  195    HA   LEU  21           HA       LEU  21  -2.652   2.911   5.972
  196   1HB   LEU  21          1HB       LEU  21  -4.288   1.221   5.514
  197   2HB   LEU  21          2HB       LEU  21  -4.435   0.814   7.229
  198    HG   LEU  21           HG       LEU  21  -5.536   2.976   7.678
  199   1HD1  LEU  21          1HD1      LEU  21  -4.521   4.341   5.821
  200   2HD1  LEU  21          2HD1      LEU  21  -5.417   3.352   4.656
  201   3HD1  LEU  21          3HD1      LEU  21  -6.287   4.392   5.796
  202   1HD2  LEU  21          1HD2      LEU  21  -6.753   1.356   5.401
  203   2HD2  LEU  21          2HD2      LEU  21  -6.837   0.958   7.127
  204   3HD2  LEU  21          3HD2      LEU  21  -7.638   2.418   6.520
  205    H    GLU  22           H        GLU  22  -2.681   1.444   9.236
  206    HA   GLU  22           HA       GLU  22  -3.781   3.828  10.471
  207   1HB   GLU  22          1HB       GLU  22  -2.458   1.383  11.734
  208   2HB   GLU  22          2HB       GLU  22  -3.284   2.697  12.588
  209   1HG   GLU  22          1HG       GLU  22  -5.343   2.162  11.113
  210   2HG   GLU  22          2HG       GLU  22  -4.508   0.659  10.682
  211    H    TYR  23           H        TYR  23  -0.522   2.373  10.133
  212    HA   TYR  23           HA       TYR  23   0.850   4.298  11.720
  213   1HB   TYR  23          1HB       TYR  23   1.586   2.346   9.513
  214   2HB   TYR  23          2HB       TYR  23   2.737   3.518  10.073
  215    HD1  TYR  23           HD1      TYR  23   1.610   0.214  10.628
  216    HD2  TYR  23           HD2      TYR  23   3.037   3.713  12.709
  217    HE1  TYR  23           HE1      TYR  23   2.328  -1.200  12.526
  218    HE2  TYR  23           HE2      TYR  23   3.715   2.301  14.617
  219    HH   TYR  23           HH       TYR  23   3.832   0.172  15.465
  220    H    VAL  24           H        VAL  24  -0.186   4.263   8.322
  221    HA   VAL  24           HA       VAL  24   1.365   6.731   7.795
  222    HB   VAL  24           HB       VAL  24  -0.297   4.985   5.968
  223   1HG1  VAL  24          1HG1      VAL  24  -0.166   7.218   4.995
  224   2HG1  VAL  24          2HG1      VAL  24   1.557   7.350   5.408
  225   3HG1  VAL  24          3HG1      VAL  24   1.025   6.210   4.164
  226   1HG2  VAL  24          1HG2      VAL  24   2.731   5.254   6.314
  227   2HG2  VAL  24          2HG2      VAL  24   1.777   3.872   6.874
  228   3HG2  VAL  24          3HG2      VAL  24   1.901   4.207   5.145
  229    H    LYS  25           H        LYS  25  -2.001   5.861   8.390
  230    HA   LYS  25           HA       LYS  25  -3.925   7.037   8.421
  231   1HB   LYS  25          1HB       LYS  25  -2.055   9.254   9.354
  232   2HB   LYS  25          2HB       LYS  25  -3.814   9.343   9.366
  233   1HG   LYS  25          1HG       LYS  25  -3.358   6.918  10.657
  234   2HG   LYS  25          2HG       LYS  25  -2.010   7.915  11.213
  235   1HD   LYS  25          1HD       LYS  25  -3.683   9.731  11.796
  236   2HD   LYS  25          2HD       LYS  25  -4.985   8.645  11.263
  237   1HE   LYS  25          1HE       LYS  25  -4.219   6.976  13.008
  238   2HE   LYS  25          2HE       LYS  25  -3.077   8.197  13.599
  239   1HZ   LYS  25          1HZ       LYS  25  -4.965   9.642  13.996
  240   2HZ   LYS  25          2HZ       LYS  25  -6.003   8.471  13.478
  241   3HZ   LYS  25          3HZ       LYS  25  -5.106   8.231  14.839
  242    H    LEU  26           H        LEU  26  -3.504   6.677   5.932
  243    HA   LEU  26           HA       LEU  26  -4.116   9.304   4.627
  244   1HB   LEU  26          1HB       LEU  26  -1.869   8.667   4.019
  245   2HB   LEU  26          2HB       LEU  26  -2.401   7.036   3.633
  246    HG   LEU  26           HG       LEU  26  -3.923   8.153   1.857
  247   1HD1  LEU  26          1HD1      LEU  26  -3.609  10.538   2.560
  248   2HD1  LEU  26          2HD1      LEU  26  -1.875  10.391   2.205
  249   3HD1  LEU  26          3HD1      LEU  26  -3.058  10.268   0.901
  250   1HD2  LEU  26          1HD2      LEU  26  -0.912   8.165   1.494
  251   2HD2  LEU  26          2HD2      LEU  26  -1.979   6.757   1.294
  252   3HD2  LEU  26          3HD2      LEU  26  -2.125   8.130   0.201
  253    HA   PRO  27           HA       PRO  27  -7.770   6.683   3.874
  254   1HB   PRO  27          1HB       PRO  27  -9.281   8.434   2.379
  255   2HB   PRO  27          2HB       PRO  27  -9.158   8.479   4.160
  256   1HG   PRO  27          1HG       PRO  27  -7.617  10.143   2.157
  257   2HG   PRO  27          2HG       PRO  27  -8.437  10.695   3.645
  258   1HD   PRO  27          1HD       PRO  27  -5.772  10.236   3.573
  259   2HD   PRO  27          2HD       PRO  27  -6.713   9.796   5.027
  260    H    VAL  28           H        VAL  28  -6.096   8.591   1.311
  261    HA   VAL  28           HA       VAL  28  -6.773   7.060  -0.924
  262    HB   VAL  28           HB       VAL  28  -4.370   8.640  -0.199
  263   1HG1  VAL  28          1HG1      VAL  28  -3.313   6.759  -1.380
  264   2HG1  VAL  28          2HG1      VAL  28  -4.527   6.887  -2.676
  265   3HG1  VAL  28          3HG1      VAL  28  -3.350   8.183  -2.413
  266   1HG2  VAL  28          1HG2      VAL  28  -6.212   8.751  -2.600
  267   2HG2  VAL  28          2HG2      VAL  28  -6.381   9.749  -1.132
  268   3HG2  VAL  28          3HG2      VAL  28  -4.952   9.916  -2.169
  269    H    LEU  29           H        LEU  29  -4.609   6.098   1.791
  270    HA   LEU  29           HA       LEU  29  -3.475   3.860   0.360
  271   1HB   LEU  29          1HB       LEU  29  -3.124   5.087   2.898
  272   2HB   LEU  29          2HB       LEU  29  -3.656   3.452   3.260
  273    HG   LEU  29           HG       LEU  29  -1.431   4.046   1.287
  274   1HD1  LEU  29          1HD1      LEU  29  -1.194   3.567   4.283
  275   2HD1  LEU  29          2HD1      LEU  29   0.156   3.666   3.135
  276   3HD1  LEU  29          3HD1      LEU  29  -0.862   5.088   3.425
  277   1HD2  LEU  29          1HD2      LEU  29  -2.075   1.588   3.007
  278   2HD2  LEU  29          2HD2      LEU  29  -2.433   1.729   1.271
  279   3HD2  LEU  29          3HD2      LEU  29  -0.752   1.750   1.835
  280    H    ALA  30           H        ALA  30  -6.182   4.260   2.691
  281    HA   ALA  30           HA       ALA  30  -6.900   1.591   2.659
  282   1HB   ALA  30          1HB       ALA  30  -7.836   3.242   4.263
  283   2HB   ALA  30          2HB       ALA  30  -8.811   3.964   2.968
  284   3HB   ALA  30          3HB       ALA  30  -9.120   2.296   3.488
  285    H    LYS  31           H        LYS  31  -7.606   4.204   0.320
  286    HA   LYS  31           HA       LYS  31  -9.599   2.629  -1.211
  287   1HB   LYS  31          1HB       LYS  31  -8.361   5.358  -1.500
  288   2HB   LYS  31          2HB       LYS  31  -9.030   4.550  -2.914
  289   1HG   LYS  31          1HG       LYS  31 -10.675   5.993  -2.002
  290   2HG   LYS  31          2HG       LYS  31 -11.222   4.326  -1.897
  291   1HD   LYS  31          1HD       LYS  31  -9.838   5.554   0.497
  292   2HD   LYS  31          2HD       LYS  31 -11.457   6.128   0.121
  293   1HE   LYS  31          1HE       LYS  31 -10.785   3.184   0.606
  294   2HE   LYS  31          2HE       LYS  31 -11.427   4.297   1.811
  295   1HZ   LYS  31          1HZ       LYS  31 -13.347   4.606   0.430
  296   2HZ   LYS  31          2HZ       LYS  31 -12.758   3.559  -0.699
  297   3HZ   LYS  31          3HZ       LYS  31 -13.139   3.016   0.805
  298    H    ILE  32           H        ILE  32  -6.160   3.300  -1.399
  299    HA   ILE  32           HA       ILE  32  -5.719   2.218  -4.052
  300    HB   ILE  32           HB       ILE  32  -3.975   2.708  -1.618
  301   1HG1  ILE  32          1HG1      ILE  32  -3.810   3.662  -4.517
  302   2HG1  ILE  32          2HG1      ILE  32  -4.596   4.541  -3.217
  303   1HG2  ILE  32          1HG2      ILE  32  -3.102   0.587  -2.402
  304   2HG2  ILE  32          2HG2      ILE  32  -3.106   1.152  -4.079
  305   3HG2  ILE  32          3HG2      ILE  32  -1.995   1.847  -2.884
  306   1HD1  ILE  32          1HD1      ILE  32  -2.369   4.559  -1.983
  307   2HD1  ILE  32          2HD1      ILE  32  -1.623   3.927  -3.470
  308   3HD1  ILE  32          3HD1      ILE  32  -2.423   5.497  -3.490
  309    H    LEU  33           H        LEU  33  -5.745   0.892  -0.671
  310    HA   LEU  33           HA       LEU  33  -4.870  -1.631  -1.608
  311   1HB   LEU  33          1HB       LEU  33  -4.996  -2.232   0.658
  312   2HB   LEU  33          2HB       LEU  33  -4.708  -0.477   0.661
  313    HG   LEU  33           HG       LEU  33  -6.927  -0.063   1.273
  314   1HD1  LEU  33          1HD1      LEU  33  -8.394  -1.708   0.604
  315   2HD1  LEU  33          2HD1      LEU  33  -7.235  -3.021   0.959
  316   3HD1  LEU  33          3HD1      LEU  33  -8.123  -2.204   2.274
  317   1HD2  LEU  33          1HD2      LEU  33  -5.408  -2.114   2.920
  318   2HD2  LEU  33          2HD2      LEU  33  -5.108  -0.362   2.885
  319   3HD2  LEU  33          3HD2      LEU  33  -6.614  -0.983   3.581
  320    H    GLU  34           H        GLU  34  -8.006  -0.135  -1.664
  321    HA   GLU  34           HA       GLU  34  -9.545  -2.562  -1.799
  322   1HB   GLU  34          1HB       GLU  34 -10.298  -0.201  -1.079
  323   2HB   GLU  34          2HB       GLU  34 -10.320   0.215  -2.779
  324   1HG   GLU  34          1HG       GLU  34 -11.733  -2.289  -2.514
  325   2HG   GLU  34          2HG       GLU  34 -12.321  -1.200  -1.253
  326    H    ASP  35           H        ASP  35  -8.462  -0.058  -4.102
  327    HA   ASP  35           HA       ASP  35  -9.542  -1.260  -6.446
  328   1HB   ASP  35          1HB       ASP  35  -8.686   1.077  -6.353
  329   2HB   ASP  35          2HB       ASP  35  -7.027   0.447  -6.289
  330    H    GLU  36           H        GLU  36  -6.307  -1.587  -4.962
  331    HA   GLU  36           HA       GLU  36  -5.172  -3.442  -6.764
  332   1HB   GLU  36          1HB       GLU  36  -4.898  -3.214  -3.735
  333   2HB   GLU  36          2HB       GLU  36  -3.843  -4.191  -4.760
  334   1HG   GLU  36          1HG       GLU  36  -4.139  -1.217  -5.322
  335   2HG   GLU  36          2HG       GLU  36  -3.052  -1.816  -4.064
  336    H    GLU  37           H        GLU  37  -7.316  -4.053  -3.885
  337    HA   GLU  37           HA       GLU  37  -7.345  -6.759  -3.944
  338   1HB   GLU  37          1HB       GLU  37  -8.562  -4.791  -2.497
  339   2HB   GLU  37          2HB       GLU  37  -9.963  -5.293  -3.425
  340   1HG   GLU  37          1HG       GLU  37  -8.198  -7.339  -2.068
  341   2HG   GLU  37          2HG       GLU  37  -9.257  -6.302  -1.114
  342    H    LYS  38           H        LYS  38  -9.483  -4.585  -5.856
  343    HA   LYS  38           HA       LYS  38 -10.846  -6.730  -7.211
  344   1HB   LYS  38          1HB       LYS  38 -11.560  -4.290  -7.084
  345   2HB   LYS  38          2HB       LYS  38 -10.182  -3.891  -8.097
  346   1HG   LYS  38          1HG       LYS  38 -11.852  -3.835  -9.623
  347   2HG   LYS  38          2HG       LYS  38 -11.259  -5.466  -9.898
  348   1HD   LYS  38          1HD       LYS  38 -13.690  -4.715  -8.180
  349   2HD   LYS  38          2HD       LYS  38 -13.752  -5.184  -9.884
  350   1HE   LYS  38          1HE       LYS  38 -12.675  -7.405  -9.228
  351   2HE   LYS  38          2HE       LYS  38 -12.960  -6.945  -7.533
  352   1HZ   LYS  38          1HZ       LYS  38 -15.261  -6.801  -7.978
  353   2HZ   LYS  38          2HZ       LYS  38 -15.044  -7.172  -9.574
  354   3HZ   LYS  38          3HZ       LYS  38 -14.692  -8.284  -8.412
  355    H    HIS  39           H        HIS  39  -7.943  -4.897  -8.168
  356    HA   HIS  39           HA       HIS  39  -7.513  -6.248 -10.629
  357   1HB   HIS  39          1HB       HIS  39  -5.936  -4.567  -8.744
  358   2HB   HIS  39          2HB       HIS  39  -4.970  -5.729  -9.624
  359    HD1  HIS  39           HD1      HIS  39  -4.397  -5.118 -12.039
  360    HD2  HIS  39           HD2      HIS  39  -7.533  -2.860 -10.376
  361    HE1  HIS  39           HE1      HIS  39  -4.897  -3.274 -13.697
  362    HE2  HIS  39           HE2      HIS  39  -6.836  -1.892 -12.704
  363    H    ILE  40           H        ILE  40  -6.746  -7.207  -7.347
  364    HA   ILE  40           HA       ILE  40  -5.256  -9.615  -8.149
  365    HB   ILE  40           HB       ILE  40  -5.922  -8.173  -5.575
  366   1HG1  ILE  40          1HG1      ILE  40  -3.214  -9.031  -6.650
  367   2HG1  ILE  40          2HG1      ILE  40  -3.986  -7.638  -7.331
  368   1HG2  ILE  40          1HG2      ILE  40  -6.132 -10.527  -4.971
  369   2HG2  ILE  40          2HG2      ILE  40  -4.597 -10.902  -5.785
  370   3HG2  ILE  40          3HG2      ILE  40  -4.641  -9.879  -4.325
  371   1HD1  ILE  40          1HD1      ILE  40  -4.085  -6.448  -5.277
  372   2HD1  ILE  40          2HD1      ILE  40  -3.525  -7.831  -4.333
  373   3HD1  ILE  40          3HD1      ILE  40  -2.435  -7.034  -5.486
  374    H    GLU  41           H        GLU  41  -8.540  -8.712  -7.343
  375    HA   GLU  41           HA       GLU  41  -9.487 -11.178  -6.345
  376   1HB   GLU  41          1HB       GLU  41 -10.754  -8.951  -6.448
  377   2HB   GLU  41          2HB       GLU  41 -11.011  -9.278  -8.178
  378   1HG   GLU  41          1HG       GLU  41 -11.946 -11.577  -7.339
  379   2HG   GLU  41          2HG       GLU  41 -12.024 -10.783  -5.756
  380    H    TRP  42           H        TRP  42  -8.975  -9.815  -9.572
  381    HA   TRP  42           HA       TRP  42  -9.896 -11.804 -11.264
  382   1HB   TRP  42          1HB       TRP  42  -8.712  -9.485 -11.608
  383   2HB   TRP  42          2HB       TRP  42  -7.238 -10.417 -11.669
  384    HD1  TRP  42           HD1      TRP  42 -10.474  -9.916 -13.592
  385    HE1  TRP  42           HE1      TRP  42 -10.298 -10.998 -15.930
  386    HE3  TRP  42           HE3      TRP  42  -6.051 -12.215 -12.984
  387    HZ2  TRP  42           HZ2      TRP  42  -8.424 -12.759 -17.327
  388    HZ3  TRP  42           HZ3      TRP  42  -5.052 -13.661 -14.799
  389    HH2  TRP  42           HH2      TRP  42  -6.277 -13.959 -16.939
  390    H    LEU  43           H        LEU  43  -7.135 -11.873  -9.155
  391    HA   LEU  43           HA       LEU  43  -6.134 -14.364 -10.406
  392   1HB   LEU  43          1HB       LEU  43  -4.827 -12.341  -8.500
  393   2HB   LEU  43          2HB       LEU  43  -4.074 -13.885  -8.876
  394    HG   LEU  43           HG       LEU  43  -4.857 -12.022 -11.119
  395   1HD1  LEU  43          1HD1      LEU  43  -3.420 -10.758  -9.426
  396   2HD1  LEU  43          2HD1      LEU  43  -2.126 -11.905  -9.808
  397   3HD1  LEU  43          3HD1      LEU  43  -2.794 -10.886 -11.079
  398   1HD2  LEU  43          1HD2      LEU  43  -2.673 -14.138 -10.717
  399   2HD2  LEU  43          2HD2      LEU  43  -4.150 -14.354 -11.671
  400   3HD2  LEU  43          3HD2      LEU  43  -2.917 -13.190 -12.187
  401    H    GLU  44           H        GLU  44  -7.592 -13.201  -7.437
  402    HA   GLU  44           HA       GLU  44  -7.043 -15.703  -5.978
  403   1HB   GLU  44          1HB       GLU  44  -8.867 -13.326  -5.543
  404   2HB   GLU  44          2HB       GLU  44  -8.974 -14.771  -4.531
  405   1HG   GLU  44          1HG       GLU  44  -6.239 -13.548  -4.924
  406   2HG   GLU  44          2HG       GLU  44  -7.398 -12.694  -3.901
  407    H    THR  45           H        THR  45  -9.858 -14.269  -7.087
  408    HA   THR  45           HA       THR  45 -11.786 -16.221  -6.784
  409    HB   THR  45           HB       THR  45 -11.995 -13.823  -7.704
  410    HG1  THR  45           HG1      THR  45 -13.716 -15.878  -8.601
  411   1HG2  THR  45          1HG2      THR  45 -10.890 -14.131  -9.955
  412   2HG2  THR  45          2HG2      THR  45 -12.266 -15.148 -10.426
  413   3HG2  THR  45          3HG2      THR  45 -12.518 -13.454  -9.999
  414    H    ILE  46           H        ILE  46  -9.784 -15.808  -9.464
  415    HA   ILE  46           HA       ILE  46 -10.891 -17.105 -11.500
  416    HB   ILE  46           HB       ILE  46  -9.051 -15.680 -11.720
  417   1HG1  ILE  46          1HG1      ILE  46  -7.525 -18.059 -12.646
  418   2HG1  ILE  46          2HG1      ILE  46  -9.168 -17.868 -13.308
  419   1HG2  ILE  46          1HG2      ILE  46  -8.003 -15.641  -9.894
  420   2HG2  ILE  46          2HG2      ILE  46  -7.582 -17.335  -9.770
  421   3HG2  ILE  46          3HG2      ILE  46  -6.749 -16.306 -10.948
  422   1HD1  ILE  46          1HD1      ILE  46  -8.750 -15.566 -13.925
  423   2HD1  ILE  46          2HD1      ILE  46  -7.118 -15.636 -13.226
  424   3HD1  ILE  46          3HD1      ILE  46  -7.521 -16.626 -14.661
  425    H    LEU  47           H        LEU  47  -8.602 -18.812  -9.332
  426    HA   LEU  47           HA       LEU  47  -9.858 -21.353  -9.956
  427   1HB   LEU  47          1HB       LEU  47  -8.131 -21.172 -11.729
  428   2HB   LEU  47          2HB       LEU  47  -6.868 -21.002 -10.510
  429    HG   LEU  47           HG       LEU  47  -8.673 -23.349 -10.090
  430   1HD1  LEU  47          1HD1      LEU  47  -8.661 -23.336 -12.550
  431   2HD1  LEU  47          2HD1      LEU  47  -6.882 -23.301 -12.548
  432   3HD1  LEU  47          3HD1      LEU  47  -7.751 -24.710 -11.900
  433   1HD2  LEU  47          1HD2      LEU  47  -5.639 -23.126 -10.335
  434   2HD2  LEU  47          2HD2      LEU  47  -6.552 -23.087  -8.815
  435   3HD2  LEU  47          3HD2      LEU  47  -6.543 -24.554  -9.792
  436    H    GLY  48           H        GLY  48 -10.546 -20.920  -7.832
  437   1HA   GLY  48          1HA       GLY  48  -8.832 -21.777  -5.702
  438   2HA   GLY  48          2HA       GLY  48  -9.064 -20.005  -5.709
  439   1HN   NH2  49          1HN       NH2  49 -10.191 -20.768  -3.555
  440   2HN   NH2  49          2HN       NH2  49 -11.934 -21.123  -3.695
  441   1H    ACE   0          H1        ACE   0  11.297   4.657   5.251
  442   2H    ACE   0          H2        ACE   0  10.306   4.913   6.705
  443   3H    ACE   0          H3        ACE   0  11.962   4.280   6.854
  444    H    ASP   1           H        ASP   1  10.359   2.746   8.145
  445    HA   ASP   1           HA       ASP   1  10.754   0.259   7.071
  446   1HB   ASP   1          1HB       ASP   1  10.178   0.939   9.497
  447   2HB   ASP   1          2HB       ASP   1   8.481   0.711   9.030
  448    H    TYR   2           H        TYR   2   7.638   2.028   7.073
  449    HA   TYR   2           HA       TYR   2   5.952   0.332   5.622
  450   1HB   TYR   2          1HB       TYR   2   6.130   3.321   5.243
  451   2HB   TYR   2          2HB       TYR   2   4.717   2.278   5.246
  452    HD1  TYR   2           HD1      TYR   2   5.041   0.746   7.809
  453    HD2  TYR   2           HD2      TYR   2   5.741   4.918   6.931
  454    HE1  TYR   2           HE1      TYR   2   5.115   1.254  10.227
  455    HE2  TYR   2           HE2      TYR   2   5.750   5.420   9.346
  456    HH   TYR   2           HH       TYR   2   5.580   4.568  11.475
  457    H    LEU   3           H        LEU   3   8.345   2.622   4.241
  458    HA   LEU   3           HA       LEU   3   7.608   1.941   1.545
  459   1HB   LEU   3          1HB       LEU   3  10.234   3.079   2.592
  460   2HB   LEU   3          2HB       LEU   3   9.680   3.122   0.922
  461    HG   LEU   3           HG       LEU   3   8.276   4.533   3.249
  462   1HD1  LEU   3          1HD1      LEU   3  10.497   5.484   2.805
  463   2HD1  LEU   3          2HD1      LEU   3  10.087   5.659   1.083
  464   3HD1  LEU   3          3HD1      LEU   3   9.204   6.591   2.312
  465   1HD2  LEU   3          1HD2      LEU   3   7.844   4.698   0.230
  466   2HD2  LEU   3          2HD2      LEU   3   6.702   4.025   1.415
  467   3HD2  LEU   3          3HD2      LEU   3   7.082   5.750   1.437
  468    H    ARG   4           H        ARG   4  10.016   0.790   3.868
  469    HA   ARG   4           HA       ARG   4  11.087  -1.241   2.070
  470   1HB   ARG   4          1HB       ARG   4  11.493  -0.509   4.966
  471   2HB   ARG   4          2HB       ARG   4  12.191  -1.990   4.312
  472   1HG   ARG   4          1HG       ARG   4  12.580   0.658   2.872
  473   2HG   ARG   4          2HG       ARG   4  13.605   0.229   4.241
  474   1HD   ARG   4          1HD       ARG   4  14.712  -1.410   3.149
  475   2HD   ARG   4          2HD       ARG   4  13.300  -1.950   2.222
  476    HE   ARG   4           HE       ARG   4  13.819   0.471   1.091
  477   1HH1  ARG   4          1HH2      ARG   4  15.790  -2.391   1.700
  478   2HH1  ARG   4          2HH2      ARG   4  16.714  -2.254   0.231
  479   1HH2  ARG   4          1HH1      ARG   4  14.974   0.648  -0.858
  480   2HH2  ARG   4          2HH1      ARG   4  16.232  -0.483  -1.264
  481    H    GLU   5           H        GLU   5   8.059  -1.090   3.193
  482    HA   GLU   5           HA       GLU   5   7.854  -4.077   3.215
  483   1HB   GLU   5          1HB       GLU   5   6.229  -2.041   4.794
  484   2HB   GLU   5          2HB       GLU   5   5.749  -3.730   4.551
  485   1HG   GLU   5          1HG       GLU   5   7.769  -4.511   5.692
  486   2HG   GLU   5          2HG       GLU   5   8.334  -2.853   5.907
  487    H    LEU   6           H        LEU   6   5.637  -1.296   2.929
  488    HA   LEU   6           HA       LEU   6   3.939  -2.600   1.029
  489   1HB   LEU   6          1HB       LEU   6   4.124   0.256   2.062
  490   2HB   LEU   6          2HB       LEU   6   2.897  -0.318   0.932
  491    HG   LEU   6           HG       LEU   6   1.875  -1.770   2.574
  492   1HD1  LEU   6          1HD1      LEU   6   3.832  -2.400   3.925
  493   2HD1  LEU   6          2HD1      LEU   6   3.927  -0.738   4.563
  494   3HD1  LEU   6          3HD1      LEU   6   2.524  -1.790   4.888
  495   1HD2  LEU   6          1HD2      LEU   6   2.314   0.976   3.782
  496   2HD2  LEU   6          2HD2      LEU   6   1.523   0.801   2.215
  497   3HD2  LEU   6          3HD2      LEU   6   0.798   0.049   3.605
  498    H    LEU   7           H        LEU   7   6.947  -1.478   0.391
  499    HA   LEU   7           HA       LEU   7   6.244  -1.018  -2.382
  500   1HB   LEU   7          1HB       LEU   7   6.779   1.133  -2.106
  501   2HB   LEU   7          2HB       LEU   7   7.740   0.862  -0.682
  502    HG   LEU   7           HG       LEU   7   9.617  -0.006  -2.185
  503   1HD1  LEU   7          1HD1      LEU   7   8.242  -0.535  -4.202
  504   2HD1  LEU   7          2HD1      LEU   7   7.798   1.172  -4.339
  505   3HD1  LEU   7          3HD1      LEU   7   9.484   0.670  -4.570
  506   1HD2  LEU   7          1HD2      LEU   7   8.581   2.828  -2.479
  507   2HD2  LEU   7          2HD2      LEU   7   9.646   2.200  -1.209
  508   3HD2  LEU   7          3HD2      LEU   7  10.237   2.289  -2.874
  509    H    LYS   8           H        LYS   8   8.994  -1.677  -0.186
  510    HA   LYS   8           HA       LYS   8  10.508  -3.052  -2.031
  511   1HB   LYS   8          1HB       LYS   8  11.441  -2.326   0.011
  512   2HB   LYS   8          2HB       LYS   8  10.320  -3.307   0.968
  513   1HG   LYS   8          1HG       LYS   8  12.102  -4.804  -0.914
  514   2HG   LYS   8          2HG       LYS   8  12.889  -4.000   0.453
  515   1HD   LYS   8          1HD       LYS   8  11.544  -5.152   2.086
  516   2HD   LYS   8          2HD       LYS   8  10.455  -5.788   0.863
  517   1HE   LYS   8          1HE       LYS   8  11.947  -7.538   1.626
  518   2HE   LYS   8          2HE       LYS   8  12.216  -7.198  -0.090
  519   1HZ   LYS   8          1HZ       LYS   8  14.120  -5.892   0.537
  520   2HZ   LYS   8          2HZ       LYS   8  13.852  -6.188   2.138
  521   3HZ   LYS   8          3HZ       LYS   8  14.259  -7.425   1.127
  522    H    LEU   9           H        LEU   9   7.976  -4.408   0.122
  523    HA   LEU   9           HA       LEU   9   8.430  -7.131  -0.843
  524   1HB   LEU   9          1HB       LEU   9   6.123  -5.941   0.761
  525   2HB   LEU   9          2HB       LEU   9   6.287  -7.637   0.369
  526    HG   LEU   9           HG       LEU   9   8.389  -6.155   1.993
  527   1HD1  LEU   9          1HD1      LEU   9   6.224  -6.089   3.165
  528   2HD1  LEU   9          2HD1      LEU   9   6.023  -7.837   2.929
  529   3HD1  LEU   9          3HD1      LEU   9   7.331  -7.219   3.962
  530   1HD2  LEU   9          1HD2      LEU   9   7.767  -9.124   1.569
  531   2HD2  LEU   9          2HD2      LEU   9   9.184  -8.267   0.931
  532   3HD2  LEU   9          3HD2      LEU   9   8.997  -8.484   2.674
  533    H    GLU  10           H        GLU  10   6.866  -4.351  -2.191
  534    HA   GLU  10           HA       GLU  10   4.933  -5.924  -3.728
  535   1HB   GLU  10          1HB       GLU  10   5.881  -3.139  -4.362
  536   2HB   GLU  10          2HB       GLU  10   4.362  -3.956  -4.701
  537   1HG   GLU  10          1HG       GLU  10   5.183  -3.136  -1.876
  538   2HG   GLU  10          2HG       GLU  10   4.343  -2.064  -2.987
  539    H    LEU  11           H        LEU  11   8.108  -4.334  -4.025
  540    HA   LEU  11           HA       LEU  11   8.507  -4.425  -6.750
  541   1HB   LEU  11          1HB       LEU  11  10.144  -3.945  -4.452
  542   2HB   LEU  11          2HB       LEU  11  10.975  -5.213  -5.337
  543    HG   LEU  11           HG       LEU  11  10.610  -3.675  -7.438
  544   1HD1  LEU  11          1HD1      LEU  11   9.046  -2.095  -6.256
  545   2HD1  LEU  11          2HD1      LEU  11  10.363  -1.660  -5.148
  546   3HD1  LEU  11          3HD1      LEU  11  10.489  -1.269  -6.874
  547   1HD2  LEU  11          1HD2      LEU  11  12.547  -2.958  -5.195
  548   2HD2  LEU  11          2HD2      LEU  11  12.804  -4.164  -6.476
  549   3HD2  LEU  11          3HD2      LEU  11  12.696  -2.445  -6.891
  550    H    GLN  12           H        GLN  12   9.343  -7.003  -4.447
  551    HA   GLN  12           HA       GLN  12  10.379  -8.889  -6.287
  552   1HB   GLN  12          1HB       GLN  12   9.570 -10.599  -4.568
  553   2HB   GLN  12          2HB       GLN  12  10.680  -9.360  -3.964
  554   1HG   GLN  12          1HG       GLN  12   8.962  -8.168  -2.854
  555   2HG   GLN  12          2HG       GLN  12   7.685  -8.992  -3.763
  556   1HE2  GLN  12          2HE2      GLN  12   6.749  -9.215  -1.618
  557   2HE2  GLN  12          1HE2      GLN  12   7.215 -10.626  -0.663
  558    H    LEU  13           H        LEU  13   7.014  -7.987  -5.721
  559    HA   LEU  13           HA       LEU  13   5.902 -10.433  -6.825
  560   1HB   LEU  13          1HB       LEU  13   4.451  -7.803  -6.367
  561   2HB   LEU  13          2HB       LEU  13   3.789  -9.428  -6.525
  562    HG   LEU  13           HG       LEU  13   5.490  -8.345  -4.271
  563   1HD1  LEU  13          1HD1      LEU  13   3.206  -7.612  -4.275
  564   2HD1  LEU  13          2HD1      LEU  13   2.603  -9.285  -4.338
  565   3HD1  LEU  13          3HD1      LEU  13   3.487  -8.719  -2.906
  566   1HD2  LEU  13          1HD2      LEU  13   4.366 -11.134  -4.640
  567   2HD2  LEU  13          2HD2      LEU  13   6.095 -10.724  -4.567
  568   3HD2  LEU  13          3HD2      LEU  13   5.095 -10.507  -3.131
  569    H    ILE  14           H        ILE  14   6.269  -6.978  -7.805
  570    HA   ILE  14           HA       ILE  14   5.197  -7.344 -10.438
  571    HB   ILE  14           HB       ILE  14   7.017  -5.345  -9.094
  572   1HG1  ILE  14          1HG1      ILE  14   5.224  -3.836  -9.535
  573   2HG1  ILE  14          2HG1      ILE  14   4.488  -4.906 -10.735
  574   1HG2  ILE  14          1HG2      ILE  14   8.050  -5.469 -11.313
  575   2HG2  ILE  14          2HG2      ILE  14   6.455  -5.360 -12.091
  576   3HG2  ILE  14          3HG2      ILE  14   7.098  -3.991 -11.170
  577   1HD1  ILE  14          1HD1      ILE  14   3.756  -6.448  -8.958
  578   2HD1  ILE  14          2HD1      ILE  14   4.588  -5.445  -7.742
  579   3HD1  ILE  14          3HD1      ILE  14   3.208  -4.812  -8.663
  580    H    LYS  15           H        LYS  15   8.479  -8.034  -9.191
  581    HA   LYS  15           HA       LYS  15   9.474  -8.863 -11.750
  582   1HB   LYS  15          1HB       LYS  15  10.455  -8.519  -9.067
  583   2HB   LYS  15          2HB       LYS  15  10.644 -10.211  -9.443
  584   1HG   LYS  15          1HG       LYS  15  12.658  -9.113 -10.165
  585   2HG   LYS  15          2HG       LYS  15  11.747  -9.448 -11.647
  586   1HD   LYS  15          1HD       LYS  15  10.740  -7.024 -11.287
  587   2HD   LYS  15          2HD       LYS  15  12.055  -6.814 -10.126
  588   1HE   LYS  15          1HE       LYS  15  13.696  -7.367 -11.965
  589   2HE   LYS  15          2HE       LYS  15  12.331  -7.523 -13.091
  590   1HZ   LYS  15          1HZ       LYS  15  11.783  -5.238 -12.640
  591   2HZ   LYS  15          2HZ       LYS  15  13.082  -5.087 -11.637
  592   3HZ   LYS  15          3HZ       LYS  15  13.309  -5.379 -13.244
  593    H    GLN  16           H        GLN  16   7.994 -10.667  -8.991
  594    HA   GLN  16           HA       GLN  16   8.306 -13.215 -10.332
  595   1HB   GLN  16          1HB       GLN  16   6.899 -12.272  -7.846
  596   2HB   GLN  16          2HB       GLN  16   6.363 -13.781  -8.583
  597   1HG   GLN  16          1HG       GLN  16   8.013 -14.317  -6.938
  598   2HG   GLN  16          2HG       GLN  16   8.634 -14.695  -8.540
  599   1HE2  GLN  16          2HE2      GLN  16   9.247 -12.982  -5.599
  600   2HE2  GLN  16          1HE2      GLN  16  10.696 -12.168  -6.166
  601    H    TYR  17           H        TYR  17   5.945 -10.709 -10.592
  602    HA   TYR  17           HA       TYR  17   3.825 -12.186 -11.832
  603   1HB   TYR  17          1HB       TYR  17   4.627  -9.307 -11.432
  604   2HB   TYR  17          2HB       TYR  17   3.688  -9.642 -12.833
  605    HD1  TYR  17           HD1      TYR  17   1.396 -10.517 -12.788
  606    HD2  TYR  17           HD2      TYR  17   3.437  -8.882  -9.373
  607    HE1  TYR  17           HE1      TYR  17  -0.768 -10.039 -11.713
  608    HE2  TYR  17           HE2      TYR  17   1.284  -8.352  -8.333
  609    HH   TYR  17           HH       TYR  17  -1.839  -9.346  -9.747
  610    H    ARG  18           H        ARG  18   6.926 -10.881 -12.898
  611    HA   ARG  18           HA       ARG  18   6.259 -11.100 -15.748
  612   1HB   ARG  18          1HB       ARG  18   8.957 -10.719 -14.403
  613   2HB   ARG  18          2HB       ARG  18   8.657 -10.769 -16.143
  614   1HG   ARG  18          1HG       ARG  18   7.056  -8.825 -15.875
  615   2HG   ARG  18          2HG       ARG  18   7.539  -8.756 -14.177
  616   1HD   ARG  18          1HD       ARG  18   9.969  -8.550 -15.032
  617   2HD   ARG  18          2HD       ARG  18   9.246  -8.307 -16.642
  618    HE   ARG  18           HE       ARG  18   8.182  -6.592 -14.516
  619   1HH1  ARG  18          1HH2      ARG  18  10.686  -6.889 -16.987
  620   2HH1  ARG  18          2HH2      ARG  18  11.024  -5.182 -17.064
  621   1HH2  ARG  18          1HH1      ARG  18   8.623  -4.373 -14.565
  622   2HH2  ARG  18          2HH1      ARG  18   9.827  -3.711 -15.634
  623    H    GLU  19           H        GLU  19   8.092 -12.783 -13.296
  624    HA   GLU  19           HA       GLU  19   8.979 -15.017 -14.759
  625   1HB   GLU  19          1HB       GLU  19   9.522 -14.259 -12.352
  626   2HB   GLU  19          2HB       GLU  19   8.090 -15.196 -11.877
  627   1HG   GLU  19          1HG       GLU  19   9.093 -17.235 -12.728
  628   2HG   GLU  19          2HG       GLU  19  10.420 -16.336 -13.476
  629    H    ALA  20           H        ALA  20   5.848 -14.499 -13.032
  630    HA   ALA  20           HA       ALA  20   4.785 -17.035 -13.872
  631   1HB   ALA  20          1HB       ALA  20   3.732 -16.121 -12.004
  632   2HB   ALA  20          2HB       ALA  20   3.743 -14.492 -12.687
  633   3HB   ALA  20          3HB       ALA  20   2.591 -15.710 -13.302
  634    H    LEU  21           H        LEU  21   4.389 -13.738 -15.144
  635    HA   LEU  21           HA       LEU  21   2.565 -14.189 -17.169
  636   1HB   LEU  21          1HB       LEU  21   3.361 -11.984 -16.606
  637   2HB   LEU  21          2HB       LEU  21   5.011 -12.425 -17.053
  638    HG   LEU  21           HG       LEU  21   4.301 -12.621 -19.448
  639   1HD1  LEU  21          1HD1      LEU  21   1.845 -12.939 -19.056
  640   2HD1  LEU  21          2HD1      LEU  21   1.763 -11.290 -18.402
  641   3HD1  LEU  21          3HD1      LEU  21   2.180 -11.552 -20.105
  642   1HD2  LEU  21          1HD2      LEU  21   3.974  -9.999 -17.947
  643   2HD2  LEU  21          2HD2      LEU  21   5.471 -10.685 -18.595
  644   3HD2  LEU  21          3HD2      LEU  21   4.209 -10.138 -19.712
  645    H    GLU  22           H        GLU  22   6.041 -15.050 -17.202
  646    HA   GLU  22           HA       GLU  22   5.956 -15.588 -20.041
  647   1HB   GLU  22          1HB       GLU  22   8.176 -16.563 -19.840
  648   2HB   GLU  22          2HB       GLU  22   8.053 -14.886 -19.281
  649   1HG   GLU  22          1HG       GLU  22   8.077 -15.569 -16.990
  650   2HG   GLU  22          2HG       GLU  22   8.015 -17.293 -17.424
  651    H    TYR  23           H        TYR  23   5.576 -17.503 -17.096
  652    HA   TYR  23           HA       TYR  23   5.456 -20.083 -18.421
  653   1HB   TYR  23          1HB       TYR  23   4.976 -18.967 -15.701
  654   2HB   TYR  23          2HB       TYR  23   3.857 -20.233 -16.147
  655    HD1  TYR  23           HD1      TYR  23   4.716 -22.482 -16.941
  656    HD2  TYR  23           HD2      TYR  23   7.201 -19.551 -14.979
  657    HE1  TYR  23           HE1      TYR  23   6.337 -24.259 -16.333
  658    HE2  TYR  23           HE2      TYR  23   8.814 -21.322 -14.379
  659    HH   TYR  23           HH       TYR  23   9.363 -23.543 -14.582
  660    H    VAL  24           H        VAL  24   3.109 -17.603 -17.466
  661    HA   VAL  24           HA       VAL  24   0.900 -19.408 -18.233
  662    HB   VAL  24           HB       VAL  24   0.997 -16.853 -16.582
  663   1HG1  VAL  24          1HG1      VAL  24  -1.220 -16.919 -17.675
  664   2HG1  VAL  24          2HG1      VAL  24  -1.366 -18.659 -17.349
  665   3HG1  VAL  24          3HG1      VAL  24  -1.397 -17.495 -16.016
  666   1HG2  VAL  24          1HG2      VAL  24   0.459 -19.763 -15.902
  667   2HG2  VAL  24          2HG2      VAL  24   1.942 -18.851 -15.525
  668   3HG2  VAL  24          3HG2      VAL  24   0.407 -18.369 -14.803
  669    H    LYS  25           H        LYS  25   2.455 -16.640 -19.623
  670    HA   LYS  25           HA       LYS  25   2.019 -15.407 -21.470
  671   1HB   LYS  25          1HB       LYS  25   1.131 -18.200 -22.281
  672   2HB   LYS  25          2HB       LYS  25   1.301 -16.895 -23.453
  673   1HG   LYS  25          1HG       LYS  25   3.575 -17.788 -21.639
  674   2HG   LYS  25          2HG       LYS  25   3.279 -18.442 -23.251
  675   1HD   LYS  25          1HD       LYS  25   3.412 -16.123 -24.214
  676   2HD   LYS  25          2HD       LYS  25   3.855 -15.508 -22.606
  677   1HE   LYS  25          1HE       LYS  25   5.843 -16.986 -22.579
  678   2HE   LYS  25          2HE       LYS  25   5.438 -17.557 -24.208
  679   1HZ   LYS  25          1HZ       LYS  25   5.651 -15.299 -24.977
  680   2HZ   LYS  25          2HZ       LYS  25   6.026 -14.776 -23.458
  681   3HZ   LYS  25          3HZ       LYS  25   7.046 -15.797 -24.252
  682    H    LEU  26           H        LEU  26   0.279 -14.433 -19.945
  683    HA   LEU  26           HA       LEU  26  -2.242 -14.310 -21.530
  684   1HB   LEU  26          1HB       LEU  26  -2.213 -15.755 -19.413
  685   2HB   LEU  26          2HB       LEU  26  -2.182 -14.251 -18.495
  686    HG   LEU  26           HG       LEU  26  -4.298 -14.926 -20.601
  687   1HD1  LEU  26          1HD1      LEU  26  -4.280 -16.697 -18.886
  688   2HD1  LEU  26          2HD1      LEU  26  -4.354 -15.479 -17.598
  689   3HD1  LEU  26          3HD1      LEU  26  -5.720 -15.684 -18.718
  690   1HD2  LEU  26          1HD2      LEU  26  -4.270 -13.013 -18.221
  691   2HD2  LEU  26          2HD2      LEU  26  -4.215 -12.544 -19.936
  692   3HD2  LEU  26          3HD2      LEU  26  -5.667 -13.306 -19.280
  693    HA   PRO  27           HA       PRO  27  -0.521 -10.186 -21.541
  694   1HB   PRO  27          1HB       PRO  27  -2.667  -8.723 -22.545
  695   2HB   PRO  27          2HB       PRO  27  -1.549  -9.711 -23.521
  696   1HG   PRO  27          1HG       PRO  27  -4.272 -10.498 -22.467
  697   2HG   PRO  27          2HG       PRO  27  -3.615 -10.744 -24.108
  698   1HD   PRO  27          1HD       PRO  27  -3.606 -12.740 -22.300
  699   2HD   PRO  27          2HD       PRO  27  -2.183 -12.508 -23.357
  700    H    VAL  28           H        VAL  28  -3.798 -10.617 -20.218
  701    HA   VAL  28           HA       VAL  28  -4.024  -8.282 -18.766
  702    HB   VAL  28           HB       VAL  28  -5.140 -10.932 -17.955
  703   1HG1  VAL  28          1HG1      VAL  28  -5.416  -9.246 -16.211
  704   2HG1  VAL  28          2HG1      VAL  28  -6.079  -8.097 -17.388
  705   3HG1  VAL  28          3HG1      VAL  28  -6.969  -9.577 -16.976
  706   1HG2  VAL  28          1HG2      VAL  28  -6.220  -8.825 -19.881
  707   2HG2  VAL  28          2HG2      VAL  28  -5.773 -10.492 -20.305
  708   3HG2  VAL  28          3HG2      VAL  28  -7.160 -10.195 -19.261
  709    H    LEU  29           H        LEU  29  -2.025 -11.155 -17.868
  710    HA   LEU  29           HA       LEU  29  -1.719 -10.529 -15.103
  711   1HB   LEU  29          1HB       LEU  29  -0.096 -11.955 -17.265
  712   2HB   LEU  29          2HB       LEU  29   0.565 -11.706 -15.684
  713    HG   LEU  29           HG       LEU  29  -2.077 -13.154 -16.143
  714   1HD1  LEU  29          1HD1      LEU  29  -0.795 -15.220 -15.821
  715   2HD1  LEU  29          2HD1      LEU  29  -0.166 -14.359 -17.242
  716   3HD1  LEU  29          3HD1      LEU  29   0.718 -14.309 -15.700
  717   1HD2  LEU  29          1HD2      LEU  29  -0.122 -12.928 -13.818
  718   2HD2  LEU  29          2HD2      LEU  29  -1.774 -12.287 -13.846
  719   3HD2  LEU  29          3HD2      LEU  29  -1.504 -14.041 -13.839
  720    H    ALA  30           H        ALA  30   0.228  -9.659 -17.971
  721    HA   ALA  30           HA       ALA  30   2.020  -8.023 -16.510
  722   1HB   ALA  30          1HB       ALA  30   2.689  -7.140 -18.699
  723   2HB   ALA  30          2HB       ALA  30   2.315  -8.862 -18.928
  724   3HB   ALA  30          3HB       ALA  30   1.149  -7.635 -19.430
  725    H    LYS  31           H        LYS  31  -1.224  -7.433 -17.811
  726    HA   LYS  31           HA       LYS  31  -0.971  -4.549 -17.560
  727   1HB   LYS  31          1HB       LYS  31  -2.467  -5.647 -19.179
  728   2HB   LYS  31          2HB       LYS  31  -3.467  -6.238 -17.846
  729   1HG   LYS  31          1HG       LYS  31  -2.894  -3.286 -17.898
  730   2HG   LYS  31          2HG       LYS  31  -3.889  -3.880 -19.226
  731   1HD   LYS  31          1HD       LYS  31  -4.517  -4.541 -16.317
  732   2HD   LYS  31          2HD       LYS  31  -5.113  -3.077 -17.107
  733   1HE   LYS  31          1HE       LYS  31  -6.351  -4.320 -18.755
  734   2HE   LYS  31          2HE       LYS  31  -5.594  -5.851 -18.298
  735   1HZ   LYS  31          1HZ       LYS  31  -6.653  -5.706 -16.181
  736   2HZ   LYS  31          2HZ       LYS  31  -7.371  -4.277 -16.582
  737   3HZ   LYS  31          3HZ       LYS  31  -7.767  -5.657 -17.392
  738    H    ILE  32           H        ILE  32  -1.841  -7.183 -15.380
  739    HA   ILE  32           HA       ILE  32  -3.087  -5.411 -13.442
  740    HB   ILE  32           HB       ILE  32  -2.254  -8.340 -13.367
  741   1HG1  ILE  32          1HG1      ILE  32  -5.049  -7.162 -13.091
  742   2HG1  ILE  32          2HG1      ILE  32  -4.371  -7.511 -14.680
  743   1HG2  ILE  32          1HG2      ILE  32  -1.977  -7.386 -11.123
  744   2HG2  ILE  32          2HG2      ILE  32  -3.543  -6.589 -11.224
  745   3HG2  ILE  32          3HG2      ILE  32  -3.460  -8.348 -11.135
  746   1HD1  ILE  32          1HD1      ILE  32  -4.059  -9.880 -14.074
  747   2HD1  ILE  32          2HD1      ILE  32  -4.738  -9.574 -12.460
  748   3HD1  ILE  32          3HD1      ILE  32  -5.751  -9.371 -13.889
  749    H    LEU  33           H        LEU  33  -0.006  -7.226 -13.904
  750    HA   LEU  33           HA       LEU  33   1.245  -6.235 -11.519
  751   1HB   LEU  33          1HB       LEU  33   3.130  -7.256 -12.236
  752   2HB   LEU  33          2HB       LEU  33   1.910  -8.083 -13.217
  753    HG   LEU  33           HG       LEU  33   2.478  -6.570 -15.081
  754   1HD1  LEU  33          1HD1      LEU  33   3.718  -4.782 -14.648
  755   2HD1  LEU  33          2HD1      LEU  33   4.353  -5.481 -13.134
  756   3HD1  LEU  33          3HD1      LEU  33   5.083  -5.894 -14.709
  757   1HD2  LEU  33          1HD2      LEU  33   4.764  -8.278 -14.098
  758   2HD2  LEU  33          2HD2      LEU  33   3.273  -8.926 -14.846
  759   3HD2  LEU  33          3HD2      LEU  33   4.359  -7.892 -15.784
  760    H    GLU  34           H        GLU  34   0.911  -4.761 -14.799
  761    HA   GLU  34           HA       GLU  34   2.627  -2.558 -14.327
  762   1HB   GLU  34          1HB       GLU  34   1.557  -3.349 -16.502
  763   2HB   GLU  34          2HB       GLU  34   0.118  -2.453 -16.041
  764   1HG   GLU  34          1HG       GLU  34   2.935  -1.283 -16.296
  765   2HG   GLU  34          2HG       GLU  34   1.725  -1.265 -17.586
  766    H    ASP  35           H        ASP  35  -0.910  -2.834 -14.005
  767    HA   ASP  35           HA       ASP  35  -1.410  -0.268 -12.909
  768   1HB   ASP  35          1HB       ASP  35  -3.200  -1.729 -13.625
  769   2HB   ASP  35          2HB       ASP  35  -2.803  -2.901 -12.345
  770    H    GLU  36           H        GLU  36  -0.725  -3.337 -11.191
  771    HA   GLU  36           HA       GLU  36  -0.585  -2.366  -8.554
  772   1HB   GLU  36          1HB       GLU  36   1.124  -4.495  -9.877
  773   2HB   GLU  36          2HB       GLU  36   0.982  -4.241  -8.143
  774   1HG   GLU  36          1HG       GLU  36  -1.495  -4.843  -9.817
  775   2HG   GLU  36          2HG       GLU  36  -0.407  -6.136  -9.297
  776    H    GLU  37           H        GLU  37   2.038  -2.468 -11.123
  777    HA   GLU  37           HA       GLU  37   4.081  -1.347  -9.650
  778   1HB   GLU  37          1HB       GLU  37   3.675  -2.146 -12.261
  779   2HB   GLU  37          2HB       GLU  37   3.842  -0.408 -12.475
  780   1HG   GLU  37          1HG       GLU  37   5.792  -2.078 -10.842
  781   2HG   GLU  37          2HG       GLU  37   5.818  -2.013 -12.600
  782    H    LYS  38           H        LYS  38   1.418   0.347 -11.368
  783    HA   LYS  38           HA       LYS  38   2.421   2.962 -10.761
  784   1HB   LYS  38          1HB       LYS  38   0.673   2.378 -12.491
  785   2HB   LYS  38          2HB       LYS  38  -0.463   2.108 -11.169
  786   1HG   LYS  38          1HG       LYS  38   0.551   4.623 -10.525
  787   2HG   LYS  38          2HG       LYS  38   0.611   4.673 -12.281
  788   1HD   LYS  38          1HD       LYS  38  -1.782   4.268 -12.432
  789   2HD   LYS  38          2HD       LYS  38  -1.878   3.823 -10.715
  790   1HE   LYS  38          1HE       LYS  38  -1.249   6.097 -10.026
  791   2HE   LYS  38          2HE       LYS  38  -1.110   6.603 -11.722
  792   1HZ   LYS  38          1HZ       LYS  38  -3.435   6.153 -11.981
  793   2HZ   LYS  38          2HZ       LYS  38  -3.562   5.625 -10.424
  794   3HZ   LYS  38          3HZ       LYS  38  -3.206   7.205 -10.733
  795    H    HIS  39           H        HIS  39   0.031   0.861  -9.031
  796    HA   HIS  39           HA       HIS  39  -0.529   2.748  -6.951
  797   1HB   HIS  39          1HB       HIS  39  -0.609  -0.277  -7.045
  798   2HB   HIS  39          2HB       HIS  39  -1.033   0.626  -5.594
  799    HD1  HIS  39           HD1      HIS  39  -3.152   2.398  -5.883
  800    HD2  HIS  39           HD2      HIS  39  -2.536  -0.540  -8.822
  801    HE1  HIS  39           HE1      HIS  39  -5.381   2.156  -7.152
  802    HE2  HIS  39           HE2      HIS  39  -4.996   0.333  -8.921
  803    H    ILE  40           H        ILE  40   2.011   0.293  -7.235
  804    HA   ILE  40           HA       ILE  40   3.260   0.699  -4.685
  805    HB   ILE  40           HB       ILE  40   4.312  -0.337  -7.342
  806   1HG1  ILE  40          1HG1      ILE  40   3.459  -1.942  -4.917
  807   2HG1  ILE  40          2HG1      ILE  40   2.283  -1.522  -6.106
  808   1HG2  ILE  40          1HG2      ILE  40   6.191   0.303  -5.894
  809   2HG2  ILE  40          2HG2      ILE  40   5.471  -0.575  -4.531
  810   3HG2  ILE  40          3HG2      ILE  40   6.074  -1.449  -5.954
  811   1HD1  ILE  40          1HD1      ILE  40   3.565  -2.600  -7.896
  812   2HD1  ILE  40          2HD1      ILE  40   4.795  -3.112  -6.742
  813   3HD1  ILE  40          3HD1      ILE  40   3.123  -3.713  -6.597
  814    H    GLU  41           H        GLU  41   3.781   2.072  -7.929
  815    HA   GLU  41           HA       GLU  41   5.993   3.698  -7.417
  816   1HB   GLU  41          1HB       GLU  41   5.029   3.172  -9.661
  817   2HB   GLU  41          2HB       GLU  41   3.678   4.254  -9.332
  818   1HG   GLU  41          1HG       GLU  41   6.475   5.311  -9.080
  819   2HG   GLU  41          2HG       GLU  41   5.787   5.016 -10.689
  820    H    TRP  42           H        TRP  42   2.499   4.258  -6.755
  821    HA   TRP  42           HA       TRP  42   2.624   6.925  -6.061
  822   1HB   TRP  42          1HB       TRP  42   0.689   5.147  -6.171
  823   2HB   TRP  42          2HB       TRP  42   1.015   4.943  -4.455
  824    HD1  TRP  42           HD1      TRP  42  -0.332   7.468  -6.928
  825    HE1  TRP  42           HE1      TRP  42  -1.360   9.465  -5.697
  826    HE3  TRP  42           HE3      TRP  42   1.125   6.193  -2.278
  827    HZ2  TRP  42           HZ2      TRP  42  -1.338  10.487  -2.888
  828    HZ3  TRP  42           HZ3      TRP  42   0.576   7.632  -0.304
  829    HH2  TRP  42           HH2      TRP  42  -0.521   9.840  -0.638
  830    H    LEU  43           H        LEU  43   3.676   4.078  -4.236
  831    HA   LEU  43           HA       LEU  43   4.234   5.534  -1.766
  832   1HB   LEU  43          1HB       LEU  43   5.192   2.797  -2.695
  833   2HB   LEU  43          2HB       LEU  43   5.574   3.551  -1.163
  834    HG   LEU  43           HG       LEU  43   2.802   3.824  -1.220
  835   1HD1  LEU  43          1HD1      LEU  43   2.608   2.406  -3.201
  836   2HD1  LEU  43          2HD1      LEU  43   3.555   1.125  -2.430
  837   3HD1  LEU  43          3HD1      LEU  43   1.953   1.551  -1.798
  838   1HD2  LEU  43          1HD2      LEU  43   4.529   1.592  -0.062
  839   2HD2  LEU  43          2HD2      LEU  43   4.150   3.136   0.718
  840   3HD2  LEU  43          3HD2      LEU  43   2.858   1.956   0.432
  841    H    GLU  44           H        GLU  44   5.987   5.053  -4.841
  842    HA   GLU  44           HA       GLU  44   8.435   6.243  -3.617
  843   1HB   GLU  44          1HB       GLU  44   7.904   5.210  -6.432
  844   2HB   GLU  44          2HB       GLU  44   9.397   5.974  -5.870
  845   1HG   GLU  44          1HG       GLU  44   9.545   4.240  -4.053
  846   2HG   GLU  44          2HG       GLU  44   8.230   3.364  -4.870
  847    H    THR  45           H        THR  45   5.754   7.681  -3.848
  848    HA   THR  45           HA       THR  45   7.083  10.115  -4.891
  849    HB   THR  45           HB       THR  45   5.518   8.807  -6.597
  850    HG1  THR  45           HG1      THR  45   6.598  10.670  -7.080
  851   1HG2  THR  45          1HG2      THR  45   3.452   8.879  -5.290
  852   2HG2  THR  45          2HG2      THR  45   3.477  10.656  -5.360
  853   3HG2  THR  45          3HG2      THR  45   3.334   9.687  -6.846
  854    H    ILE  46           H        ILE  46   4.262   8.766  -3.353
  855    HA   ILE  46           HA       ILE  46   2.974   9.404  -1.633
  856    HB   ILE  46           HB       ILE  46   4.812   8.228  -0.671
  857   1HG1  ILE  46          1HG1      ILE  46   4.700   8.765   1.611
  858   2HG1  ILE  46          2HG1      ILE  46   4.231  10.439   1.321
  859   1HG2  ILE  46          1HG2      ILE  46   6.768   9.477  -1.271
  860   2HG2  ILE  46          2HG2      ILE  46   6.237  10.884  -0.314
  861   3HG2  ILE  46          3HG2      ILE  46   6.706   9.368   0.483
  862   1HD1  ILE  46          1HD1      ILE  46   2.065   9.682   0.409
  863   2HD1  ILE  46          2HD1      ILE  46   2.609   7.984   0.553
  864   3HD1  ILE  46          3HD1      ILE  46   2.332   8.970   2.008
  865    H    LEU  47           H        LEU  47   3.097  11.473  -3.427
  866    HA   LEU  47           HA       LEU  47   3.672  13.953  -2.052
  867   1HB   LEU  47          1HB       LEU  47   4.089  13.363  -4.473
  868   2HB   LEU  47          2HB       LEU  47   2.361  13.560  -4.767
  869    HG   LEU  47           HG       LEU  47   3.511  15.862  -3.294
  870   1HD1  LEU  47          1HD1      LEU  47   5.566  15.224  -4.478
  871   2HD1  LEU  47          2HD1      LEU  47   4.692  15.217  -6.025
  872   3HD1  LEU  47          3HD1      LEU  47   4.901  16.735  -5.122
  873   1HD2  LEU  47          1HD2      LEU  47   2.175  15.655  -6.029
  874   2HD2  LEU  47          2HD2      LEU  47   1.326  15.898  -4.487
  875   3HD2  LEU  47          3HD2      LEU  47   2.437  17.140  -5.090
  876    H    GLY  48           H        GLY  48   0.857  11.963  -2.281
  877   1HA   GLY  48          1HA       GLY  48  -1.228  12.283  -1.318
  878   2HA   GLY  48          2HA       GLY  48  -0.756  13.905  -0.811
  879   1HN   NH2  49          1HN       NH2  49  -1.092  15.703  -2.246
  880   2HN   NH2  49          2HN       NH2  49  -2.092  15.542  -3.715
  Start of MODEL    9
    1   1H    ACE   0          H1        ACE   0  -5.885   5.134   9.528
    2   2H    ACE   0          H2        ACE   0  -6.521   3.768  10.474
    3   3H    ACE   0          H3        ACE   0  -5.843   5.188  11.307
    4    H    ASP   1           H        ASP   1  -4.839   1.834  10.531
    5    HA   ASP   1           HA       ASP   1  -2.289   2.063   9.925
    6   1HB   ASP   1          1HB       ASP   1  -1.982   3.923  11.309
    7   2HB   ASP   1          2HB       ASP   1  -2.721   3.012  12.646
    8    H    TYR   2           H        TYR   2  -4.389   1.045  12.616
    9    HA   TYR   2           HA       TYR   2  -3.585  -1.784  12.194
   10   1HB   TYR   2          1HB       TYR   2  -5.418  -0.264  14.103
   11   2HB   TYR   2          2HB       TYR   2  -5.639  -1.962  13.786
   12    HD1  TYR   2           HD1      TYR   2  -3.927   0.363  15.866
   13    HD2  TYR   2           HD2      TYR   2  -3.521  -3.523  14.029
   14    HE1  TYR   2           HE1      TYR   2  -2.172  -0.234  17.502
   15    HE2  TYR   2           HE2      TYR   2  -1.706  -4.077  15.610
   16    HH   TYR   2           HH       TYR   2  -0.808  -1.908  18.293
   17    H    LEU   3           H        LEU   3  -6.395   0.426  12.109
   18    HA   LEU   3           HA       LEU   3  -8.050  -1.387  10.854
   19   1HB   LEU   3          1HB       LEU   3  -8.365   1.631  10.657
   20   2HB   LEU   3          2HB       LEU   3  -9.625   0.412  10.545
   21    HG   LEU   3           HG       LEU   3  -8.398  -0.064  13.076
   22   1HD1  LEU   3          1HD1      LEU   3  -7.335   2.156  12.921
   23   2HD1  LEU   3          2HD1      LEU   3  -8.912   2.911  12.611
   24   3HD1  LEU   3          3HD1      LEU   3  -8.580   2.147  14.179
   25   1HD2  LEU   3          1HD2      LEU   3 -10.990   1.349  12.352
   26   2HD2  LEU   3          2HD2      LEU   3 -10.737  -0.392  12.655
   27   3HD2  LEU   3          3HD2      LEU   3 -10.555   0.770  13.975
   28    H    ARG   4           H        ARG   4  -5.543   0.304   9.260
   29    HA   ARG   4           HA       ARG   4  -6.570   0.509   6.628
   30   1HB   ARG   4          1HB       ARG   4  -4.260   0.021   5.878
   31   2HB   ARG   4          2HB       ARG   4  -4.369   1.339   7.052
   32   1HG   ARG   4          1HG       ARG   4  -3.494   0.003   8.809
   33   2HG   ARG   4          2HG       ARG   4  -3.641  -1.493   7.919
   34   1HD   ARG   4          1HD       ARG   4  -1.627  -1.310   7.047
   35   2HD   ARG   4          2HD       ARG   4  -2.017   0.268   6.332
   36    HE   ARG   4           HE       ARG   4  -1.360   0.264   9.202
   37   1HH1  ARG   4          1HH2      ARG   4   0.061   0.134   5.995
   38   2HH1  ARG   4          2HH2      ARG   4   1.522   0.976   6.432
   39   1HH2  ARG   4          1HH1      ARG   4   0.499   1.486   9.797
   40   2HH2  ARG   4          2HH1      ARG   4   1.786   1.725   8.655
   41    H    GLU   5           H        GLU   5  -5.609  -2.346   8.521
   42    HA   GLU   5           HA       GLU   5  -5.824  -4.142   6.169
   43   1HB   GLU   5          1HB       GLU   5  -5.024  -4.506   9.080
   44   2HB   GLU   5          2HB       GLU   5  -5.295  -5.871   7.996
   45   1HG   GLU   5          1HG       GLU   5  -3.584  -5.156   6.452
   46   2HG   GLU   5          2HG       GLU   5  -3.390  -3.603   7.264
   47    H    LEU   6           H        LEU   6  -8.061  -2.560   7.921
   48    HA   LEU   6           HA       LEU   6  -9.989  -4.796   7.855
   49   1HB   LEU   6          1HB       LEU   6  -9.689  -2.588   9.887
   50   2HB   LEU   6          2HB       LEU   6 -11.106  -3.643   9.751
   51    HG   LEU   6           HG       LEU   6  -8.309  -4.759  10.234
   52   1HD1  LEU   6          1HD1      LEU   6  -8.873  -3.351  12.093
   53   2HD1  LEU   6          2HD1      LEU   6 -10.544  -3.927  12.080
   54   3HD1  LEU   6          3HD1      LEU   6  -9.243  -5.022  12.579
   55   1HD2  LEU   6          1HD2      LEU   6 -10.394  -6.372  11.159
   56   2HD2  LEU   6          2HD2      LEU   6 -10.904  -5.922   9.540
   57   3HD2  LEU   6          3HD2      LEU   6  -9.330  -6.702   9.770
   58    H    LEU   7           H        LEU   7  -9.345  -2.999   5.662
   59    HA   LEU   7           HA       LEU   7 -11.995  -2.209   5.153
   60   1HB   LEU   7          1HB       LEU   7 -11.568   0.203   4.566
   61   2HB   LEU   7          2HB       LEU   7 -11.780  -0.201   6.256
   62    HG   LEU   7           HG       LEU   7  -8.996  -0.288   5.966
   63   1HD1  LEU   7          1HD1      LEU   7  -9.202   0.725   3.670
   64   2HD1  LEU   7          2HD1      LEU   7 -10.052   2.101   4.392
   65   3HD1  LEU   7          3HD1      LEU   7  -8.362   1.772   4.828
   66   1HD2  LEU   7          1HD2      LEU   7 -10.749   2.080   6.761
   67   2HD2  LEU   7          2HD2      LEU   7 -10.336   0.718   7.816
   68   3HD2  LEU   7          3HD2      LEU   7  -9.061   1.809   7.247
   69    H    LYS   8           H        LYS   8  -8.634  -1.522   4.066
   70    HA   LYS   8           HA       LYS   8  -9.454  -1.322   1.422
   71   1HB   LYS   8          1HB       LYS   8  -7.296  -0.559   2.637
   72   2HB   LYS   8          2HB       LYS   8  -6.638  -2.155   2.258
   73   1HG   LYS   8          1HG       LYS   8  -6.790  -1.703  -0.123
   74   2HG   LYS   8          2HG       LYS   8  -7.818  -0.282   0.154
   75   1HD   LYS   8          1HD       LYS   8  -6.008   0.877   1.337
   76   2HD   LYS   8          2HD       LYS   8  -4.931  -0.517   1.121
   77   1HE   LYS   8          1HE       LYS   8  -4.928  -0.215  -1.296
   78   2HE   LYS   8          2HE       LYS   8  -6.207   1.013  -1.200
   79   1HZ   LYS   8          1HZ       LYS   8  -4.725   2.429  -0.025
   80   2HZ   LYS   8          2HZ       LYS   8  -3.523   1.300  -0.049
   81   3HZ   LYS   8          3HZ       LYS   8  -4.045   1.983  -1.456
   82    H    LEU   9           H        LEU   9  -8.071  -4.016   3.207
   83    HA   LEU   9           HA       LEU   9  -8.126  -6.001   1.119
   84   1HB   LEU   9          1HB       LEU   9  -8.355  -6.310   4.149
   85   2HB   LEU   9          2HB       LEU   9  -8.015  -7.593   2.982
   86    HG   LEU   9           HG       LEU   9  -6.183  -5.200   3.451
   87   1HD1  LEU   9          1HD1      LEU   9  -6.350  -6.646   5.456
   88   2HD1  LEU   9          2HD1      LEU   9  -5.953  -8.064   4.472
   89   3HD1  LEU   9          3HD1      LEU   9  -4.759  -6.769   4.692
   90   1HD2  LEU   9          1HD2      LEU   9  -5.778  -7.832   1.947
   91   2HD2  LEU   9          2HD2      LEU   9  -5.885  -6.218   1.207
   92   3HD2  LEU   9          3HD2      LEU   9  -4.520  -6.620   2.256
   93    H    GLU  10           H        GLU  10 -10.433  -4.968   3.663
   94    HA   GLU  10           HA       GLU  10 -12.427  -6.871   3.200
   95   1HB   GLU  10          1HB       GLU  10 -12.899  -3.957   3.938
   96   2HB   GLU  10          2HB       GLU  10 -13.919  -5.354   4.152
   97   1HG   GLU  10          1HG       GLU  10 -11.378  -4.804   5.663
   98   2HG   GLU  10          2HG       GLU  10 -13.017  -4.842   6.307
   99    H    LEU  11           H        LEU  11 -11.885  -3.700   1.566
  100    HA   LEU  11           HA       LEU  11 -14.283  -3.819  -0.020
  101   1HB   LEU  11          1HB       LEU  11 -12.439  -1.893   0.400
  102   2HB   LEU  11          2HB       LEU  11 -11.694  -2.577  -1.035
  103    HG   LEU  11           HG       LEU  11 -13.002  -0.682  -1.629
  104   1HD1  LEU  11          1HD1      LEU  11 -14.494  -1.477  -3.314
  105   2HD1  LEU  11          2HD1      LEU  11 -13.157  -2.639  -3.210
  106   3HD1  LEU  11          3HD1      LEU  11 -14.743  -3.017  -2.488
  107   1HD2  LEU  11          1HD2      LEU  11 -15.466  -1.943  -0.352
  108   2HD2  LEU  11          2HD2      LEU  11 -14.475  -0.654   0.357
  109   3HD2  LEU  11          3HD2      LEU  11 -15.351  -0.368  -1.152
  110    H    GLN  12           H        GLN  12 -10.971  -5.112  -0.535
  111    HA   GLN  12           HA       GLN  12 -11.299  -6.038  -3.130
  112   1HB   GLN  12          1HB       GLN  12  -9.244  -6.142  -1.380
  113   2HB   GLN  12          2HB       GLN  12  -9.861  -7.791  -1.162
  114   1HG   GLN  12          1HG       GLN  12  -9.855  -7.888  -3.765
  115   2HG   GLN  12          2HG       GLN  12  -8.832  -6.451  -3.681
  116   1HE2  GLN  12          2HE2      GLN  12  -9.050  -9.938  -2.912
  117   2HE2  GLN  12          1HE2      GLN  12  -7.329 -10.133  -2.645
  118    H    LEU  13           H        LEU  13 -12.826  -7.258  -0.210
  119    HA   LEU  13           HA       LEU  13 -13.429  -9.922  -1.133
  120   1HB   LEU  13          1HB       LEU  13 -14.858  -8.306   0.990
  121   2HB   LEU  13          2HB       LEU  13 -14.985 -10.022   0.679
  122    HG   LEU  13           HG       LEU  13 -12.482  -8.591   1.656
  123   1HD1  LEU  13          1HD1      LEU  13 -14.430  -8.606   3.174
  124   2HD1  LEU  13          2HD1      LEU  13 -14.577 -10.356   3.013
  125   3HD1  LEU  13          3HD1      LEU  13 -13.169  -9.631   3.812
  126   1HD2  LEU  13          1HD2      LEU  13 -13.095 -11.474   0.923
  127   2HD2  LEU  13          2HD2      LEU  13 -11.748 -10.456   0.386
  128   3HD2  LEU  13          3HD2      LEU  13 -11.788 -11.071   2.036
  129    H    ILE  14           H        ILE  14 -15.414  -6.967  -0.579
  130    HA   ILE  14           HA       ILE  14 -17.727  -7.974  -1.974
  131    HB   ILE  14           HB       ILE  14 -16.705  -5.185  -1.160
  132   1HG1  ILE  14          1HG1      ILE  14 -19.008  -5.413   0.096
  133   2HG1  ILE  14          2HG1      ILE  14 -18.916  -7.118  -0.278
  134   1HG2  ILE  14          1HG2      ILE  14 -17.979  -4.791  -3.239
  135   2HG2  ILE  14          2HG2      ILE  14 -19.308  -5.810  -2.642
  136   3HG2  ILE  14          3HG2      ILE  14 -18.924  -4.272  -1.848
  137   1HD1  ILE  14          1HD1      ILE  14 -16.863  -7.317   1.041
  138   2HD1  ILE  14          2HD1      ILE  14 -16.771  -5.542   1.218
  139   3HD1  ILE  14          3HD1      ILE  14 -18.081  -6.464   1.979
  140    H    LYS  15           H        LYS  15 -14.839  -6.301  -2.993
  141    HA   LYS  15           HA       LYS  15 -15.739  -5.960  -5.710
  142   1HB   LYS  15          1HB       LYS  15 -13.548  -5.060  -4.428
  143   2HB   LYS  15          2HB       LYS  15 -12.810  -6.461  -5.197
  144   1HG   LYS  15          1HG       LYS  15 -12.490  -4.490  -6.538
  145   2HG   LYS  15          2HG       LYS  15 -13.592  -5.558  -7.425
  146   1HD   LYS  15          1HD       LYS  15 -15.480  -4.166  -6.970
  147   2HD   LYS  15          2HD       LYS  15 -14.688  -3.391  -5.583
  148   1HE   LYS  15          1HE       LYS  15 -13.149  -2.202  -7.084
  149   2HE   LYS  15          2HE       LYS  15 -13.863  -3.008  -8.497
  150   1HZ   LYS  15          1HZ       LYS  15 -15.931  -1.944  -7.983
  151   2HZ   LYS  15          2HZ       LYS  15 -15.293  -1.232  -6.643
  152   3HZ   LYS  15          3HZ       LYS  15 -14.744  -0.812  -8.137
  153    H    GLN  16           H        GLN  16 -13.759  -8.601  -4.258
  154    HA   GLN  16           HA       GLN  16 -13.629  -9.993  -6.799
  155   1HB   GLN  16          1HB       GLN  16 -12.549 -11.800  -5.661
  156   2HB   GLN  16          2HB       GLN  16 -11.900 -10.259  -5.066
  157   1HG   GLN  16          1HG       GLN  16 -13.455 -10.446  -3.144
  158   2HG   GLN  16          2HG       GLN  16 -13.961 -12.028  -3.662
  159   1HE2  GLN  16          2HE2      GLN  16 -13.165 -12.386  -1.307
  160   2HE2  GLN  16          1HE2      GLN  16 -11.467 -12.785  -1.133
  161    H    TYR  17           H        TYR  17 -15.897 -10.020  -4.120
  162    HA   TYR  17           HA       TYR  17 -17.358 -12.393  -4.763
  163   1HB   TYR  17          1HB       TYR  17 -17.909  -9.800  -3.302
  164   2HB   TYR  17          2HB       TYR  17 -19.240 -10.818  -3.728
  165    HD1  TYR  17           HD1      TYR  17 -18.926 -13.439  -3.137
  166    HD2  TYR  17           HD2      TYR  17 -17.417 -10.043  -0.972
  167    HE1  TYR  17           HE1      TYR  17 -18.614 -14.847  -1.113
  168    HE2  TYR  17           HE2      TYR  17 -17.034 -11.458   1.006
  169    HH   TYR  17           HH       TYR  17 -16.777 -13.707   1.678
  170    H    ARG  18           H        ARG  18 -17.260  -9.204  -6.229
  171    HA   ARG  18           HA       ARG  18 -19.816  -9.715  -7.635
  172   1HB   ARG  18          1HB       ARG  18 -17.903  -7.345  -7.601
  173   2HB   ARG  18          2HB       ARG  18 -19.099  -7.571  -8.888
  174   1HG   ARG  18          1HG       ARG  18 -20.871  -7.837  -7.112
  175   2HG   ARG  18          2HG       ARG  18 -19.684  -7.284  -5.915
  176   1HD   ARG  18          1HD       ARG  18 -19.693  -5.100  -6.758
  177   2HD   ARG  18          2HD       ARG  18 -20.154  -5.629  -8.394
  178    HE   ARG  18           HE       ARG  18 -22.236  -6.195  -6.492
  179   1HH1  ARG  18          1HH2      ARG  18 -20.797  -3.549  -8.304
  180   2HH1  ARG  18          2HH2      ARG  18 -22.302  -2.727  -8.615
  181   1HH2  ARG  18          1HH1      ARG  18 -24.229  -5.178  -6.897
  182   2HH2  ARG  18          2HH1      ARG  18 -24.308  -3.676  -7.775
  183    H    GLU  19           H        GLU  19 -16.381  -9.813  -8.207
  184    HA   GLU  19           HA       GLU  19 -16.592 -10.524 -10.982
  185   1HB   GLU  19          1HB       GLU  19 -14.446  -9.901  -9.634
  186   2HB   GLU  19          2HB       GLU  19 -14.435 -11.613  -9.175
  187   1HG   GLU  19          1HG       GLU  19 -14.606 -12.136 -11.691
  188   2HG   GLU  19          2HG       GLU  19 -14.309 -10.415 -11.973
  189    H    ALA  20           H        ALA  20 -16.413 -12.539  -7.951
  190    HA   ALA  20           HA       ALA  20 -16.477 -14.927  -9.596
  191   1HB   ALA  20          1HB       ALA  20 -15.458 -14.508  -7.246
  192   2HB   ALA  20          2HB       ALA  20 -17.054 -15.030  -6.660
  193   3HB   ALA  20          3HB       ALA  20 -16.059 -16.112  -7.644
  194    H    LEU  21           H        LEU  21 -18.981 -13.005  -7.982
  195    HA   LEU  21           HA       LEU  21 -21.200 -14.578  -7.913
  196   1HB   LEU  21          1HB       LEU  21 -21.271 -12.252  -7.324
  197   2HB   LEU  21          2HB       LEU  21 -20.837 -11.765  -8.965
  198    HG   LEU  21           HG       LEU  21 -23.041 -12.543  -9.796
  199   1HD1  LEU  21          1HD1      LEU  21 -23.548 -14.293  -8.127
  200   2HD1  LEU  21          2HD1      LEU  21 -23.570 -13.071  -6.842
  201   3HD1  LEU  21          3HD1      LEU  21 -24.813 -13.057  -8.113
  202   1HD2  LEU  21          1HD2      LEU  21 -23.093 -10.582  -7.467
  203   2HD2  LEU  21          2HD2      LEU  21 -22.671 -10.215  -9.150
  204   3HD2  LEU  21          3HD2      LEU  21 -24.323 -10.714  -8.748
  205    H    GLU  22           H        GLU  22 -19.868 -13.111 -10.928
  206    HA   GLU  22           HA       GLU  22 -22.080 -14.135 -12.502
  207   1HB   GLU  22          1HB       GLU  22 -19.441 -12.873 -13.367
  208   2HB   GLU  22          2HB       GLU  22 -20.776 -13.336 -14.433
  209   1HG   GLU  22          1HG       GLU  22 -22.291 -11.849 -12.958
  210   2HG   GLU  22          2HG       GLU  22 -20.794 -11.197 -12.265
  211    H    TYR  23           H        TYR  23 -18.685 -15.135 -11.913
  212    HA   TYR  23           HA       TYR  23 -18.717 -17.291 -13.798
  213   1HB   TYR  23          1HB       TYR  23 -17.097 -16.541 -11.334
  214   2HB   TYR  23          2HB       TYR  23 -16.855 -18.064 -12.134
  215    HD1  TYR  23           HD1      TYR  23 -15.637 -14.779 -12.025
  216    HD2  TYR  23           HD2      TYR  23 -16.653 -17.897 -14.832
  217    HE1  TYR  23           HE1      TYR  23 -14.111 -13.780 -13.703
  218    HE2  TYR  23           HE2      TYR  23 -15.163 -16.869 -16.511
  219    HH   TYR  23           HH       TYR  23 -13.682 -15.176 -16.963
  220    H    VAL  24           H        VAL  24 -19.871 -16.933 -10.490
  221    HA   VAL  24           HA       VAL  24 -20.301 -19.821 -10.162
  222    HB   VAL  24           HB       VAL  24 -20.829 -17.398  -8.429
  223   1HG1  VAL  24          1HG1      VAL  24 -22.468 -19.086  -7.774
  224   2HG1  VAL  24          2HG1      VAL  24 -21.226 -20.356  -7.784
  225   3HG1  VAL  24          3HG1      VAL  24 -21.171 -19.063  -6.571
  226   1HG2  VAL  24          1HG2      VAL  24 -18.826 -19.698  -8.143
  227   2HG2  VAL  24          2HG2      VAL  24 -18.401 -18.112  -8.791
  228   3HG2  VAL  24          3HG2      VAL  24 -18.937 -18.260  -7.112
  229    H    LYS  25           H        LYS  25 -22.268 -16.975 -10.963
  230    HA   LYS  25           HA       LYS  25 -24.466 -16.701 -11.450
  231   1HB   LYS  25          1HB       LYS  25 -23.998 -19.485 -12.557
  232   2HB   LYS  25          2HB       LYS  25 -25.581 -18.732 -12.648
  233   1HG   LYS  25          1HG       LYS  25 -23.488 -16.891 -13.561
  234   2HG   LYS  25          2HG       LYS  25 -23.491 -18.411 -14.456
  235   1HD   LYS  25          1HD       LYS  25 -25.977 -18.134 -14.839
  236   2HD   LYS  25          2HD       LYS  25 -25.912 -16.597 -13.960
  237   1HE   LYS  25          1HE       LYS  25 -25.899 -16.168 -16.356
  238   2HE   LYS  25          2HE       LYS  25 -24.328 -15.702 -15.677
  239   1HZ   LYS  25          1HZ       LYS  25 -23.436 -17.759 -16.468
  240   2HZ   LYS  25          2HZ       LYS  25 -24.903 -18.242 -17.044
  241   3HZ   LYS  25          3HZ       LYS  25 -24.136 -16.948 -17.718
  242    H    LEU  26           H        LEU  26 -24.385 -16.763  -8.908
  243    HA   LEU  26           HA       LEU  26 -26.841 -18.269  -8.222
  244   1HB   LEU  26          1HB       LEU  26 -24.892 -19.656  -7.494
  245   2HB   LEU  26          2HB       LEU  26 -24.338 -18.291  -6.518
  246    HG   LEU  26           HG       LEU  26 -26.587 -18.430  -5.281
  247   1HD1  LEU  26          1HD1      LEU  26 -27.830 -19.860  -6.919
  248   2HD1  LEU  26          2HD1      LEU  26 -26.675 -21.169  -6.620
  249   3HD1  LEU  26          3HD1      LEU  26 -27.737 -20.600  -5.316
  250   1HD2  LEU  26          1HD2      LEU  26 -24.724 -20.843  -5.152
  251   2HD2  LEU  26          2HD2      LEU  26 -24.400 -19.276  -4.392
  252   3HD2  LEU  26          3HD2      LEU  26 -25.780 -20.254  -3.851
  253    HA   PRO  27           HA       PRO  27 -27.277 -14.046  -6.566
  254   1HB   PRO  27          1HB       PRO  27 -29.948 -13.993  -6.084
  255   2HB   PRO  27          2HB       PRO  27 -29.294 -14.042  -7.739
  256   1HG   PRO  27          1HG       PRO  27 -30.253 -16.391  -6.078
  257   2HG   PRO  27          2HG       PRO  27 -30.759 -15.956  -7.736
  258   1HD   PRO  27          1HD       PRO  27 -28.806 -17.787  -7.238
  259   2HD   PRO  27          2HD       PRO  27 -28.694 -16.693  -8.647
  260    H    VAL  28           H        VAL  28 -26.133 -16.090  -4.942
  261    HA   VAL  28           HA       VAL  28 -27.254 -15.477  -2.251
  262    HB   VAL  28           HB       VAL  28 -25.738 -17.841  -3.245
  263   1HG1  VAL  28          1HG1      VAL  28 -24.524 -17.271  -1.290
  264   2HG1  VAL  28          2HG1      VAL  28 -26.008 -16.882  -0.385
  265   3HG1  VAL  28          3HG1      VAL  28 -25.631 -18.560  -0.818
  266   1HG2  VAL  28          1HG2      VAL  28 -28.261 -17.599  -1.549
  267   2HG2  VAL  28          2HG2      VAL  28 -28.249 -17.932  -3.294
  268   3HG2  VAL  28          3HG2      VAL  28 -27.555 -19.108  -2.163
  269    H    LEU  29           H        LEU  29 -24.337 -15.740  -4.399
  270    HA   LEU  29           HA       LEU  29 -22.500 -14.651  -2.541
  271   1HB   LEU  29          1HB       LEU  29 -22.662 -15.022  -5.549
  272   2HB   LEU  29          2HB       LEU  29 -21.533 -13.859  -4.884
  273    HG   LEU  29           HG       LEU  29 -20.656 -15.655  -3.334
  274   1HD1  LEU  29          1HD1      LEU  29 -22.487 -17.260  -3.417
  275   2HD1  LEU  29          2HD1      LEU  29 -22.298 -17.437  -5.176
  276   3HD1  LEU  29          3HD1      LEU  29 -21.028 -18.011  -4.074
  277   1HD2  LEU  29          1HD2      LEU  29 -20.340 -16.137  -6.323
  278   2HD2  LEU  29          2HD2      LEU  29 -19.462 -14.919  -5.372
  279   3HD2  LEU  29          3HD2      LEU  29 -19.213 -16.642  -5.047
  280    H    ALA  30           H        ALA  30 -24.682 -13.196  -5.004
  281    HA   ALA  30           HA       ALA  30 -23.823 -10.568  -4.506
  282   1HB   ALA  30          1HB       ALA  30 -25.230 -11.174  -6.460
  283   2HB   ALA  30          2HB       ALA  30 -26.606 -11.481  -5.375
  284   3HB   ALA  30          3HB       ALA  30 -25.947  -9.840  -5.540
  285    H    LYS  31           H        LYS  31 -25.854 -12.662  -2.565
  286    HA   LYS  31           HA       LYS  31 -26.996 -10.388  -1.069
  287   1HB   LYS  31          1HB       LYS  31 -27.917 -12.977  -1.556
  288   2HB   LYS  31          2HB       LYS  31 -27.308 -13.082   0.103
  289   1HG   LYS  31          1HG       LYS  31 -28.645 -10.961   0.605
  290   2HG   LYS  31          2HG       LYS  31 -29.317 -11.100  -1.033
  291   1HD   LYS  31          1HD       LYS  31 -30.044 -13.502  -0.346
  292   2HD   LYS  31          2HD       LYS  31 -29.581 -13.049   1.303
  293   1HE   LYS  31          1HE       LYS  31 -31.945 -12.662   1.131
  294   2HE   LYS  31          2HE       LYS  31 -31.179 -11.066   1.113
  295   1HZ   LYS  31          1HZ       LYS  31 -31.394 -11.092  -1.289
  296   2HZ   LYS  31          2HZ       LYS  31 -32.108 -12.573  -1.237
  297   3HZ   LYS  31          3HZ       LYS  31 -32.862 -11.272  -0.566
  298    H    ILE  32           H        ILE  32 -24.554 -12.875  -0.853
  299    HA   ILE  32           HA       ILE  32 -23.910 -12.520   1.974
  300    HB   ILE  32           HB       ILE  32 -22.406 -13.766  -0.364
  301   1HG1  ILE  32          1HG1      ILE  32 -23.566 -14.995   2.183
  302   2HG1  ILE  32          2HG1      ILE  32 -24.420 -14.927   0.646
  303   1HG2  ILE  32          1HG2      ILE  32 -20.647 -12.896   1.007
  304   2HG2  ILE  32          2HG2      ILE  32 -21.481 -13.355   2.496
  305   3HG2  ILE  32          3HG2      ILE  32 -20.770 -14.589   1.441
  306   1HD1  ILE  32          1HD1      ILE  32 -22.546 -16.231  -0.416
  307   2HD1  ILE  32          2HD1      ILE  32 -21.848 -16.464   1.202
  308   3HD1  ILE  32          3HD1      ILE  32 -23.446 -17.105   0.844
  309    H    LEU  33           H        LEU  33 -22.715 -11.202  -1.165
  310    HA   LEU  33           HA       LEU  33 -20.486  -9.922   0.007
  311   1HB   LEU  33          1HB       LEU  33 -20.060  -9.190  -2.133
  312   2HB   LEU  33          2HB       LEU  33 -20.974 -10.690  -2.348
  313    HG   LEU  33           HG       LEU  33 -22.948  -9.378  -2.901
  314   1HD1  LEU  33          1HD1      LEU  33 -22.912  -7.201  -2.282
  315   2HD1  LEU  33          2HD1      LEU  33 -21.130  -7.153  -2.205
  316   3HD1  LEU  33          3HD1      LEU  33 -21.972  -6.965  -3.763
  317   1HD2  LEU  33          1HD2      LEU  33 -20.346  -8.914  -4.429
  318   2HD2  LEU  33          2HD2      LEU  33 -21.349 -10.373  -4.533
  319   3HD2  LEU  33          3HD2      LEU  33 -21.969  -8.833  -5.155
  320    H    GLU  34           H        GLU  34 -23.846  -9.014  -0.537
  321    HA   GLU  34           HA       GLU  34 -23.685  -6.266   0.084
  322   1HB   GLU  34          1HB       GLU  34 -25.613  -7.708  -0.962
  323   2HB   GLU  34          2HB       GLU  34 -26.079  -8.075   0.679
  324   1HG   GLU  34          1HG       GLU  34 -25.777  -5.233  -0.420
  325   2HG   GLU  34          2HG       GLU  34 -27.305  -6.119  -0.347
  326    H    ASP  35           H        ASP  35 -24.571  -9.060   2.126
  327    HA   ASP  35           HA       ASP  35 -24.916  -7.581   4.501
  328   1HB   ASP  35          1HB       ASP  35 -25.484 -10.029   4.164
  329   2HB   ASP  35          2HB       ASP  35 -23.770 -10.403   4.430
  330    H    GLU  36           H        GLU  36 -21.960  -9.270   3.355
  331    HA   GLU  36           HA       GLU  36 -20.187  -8.476   5.371
  332   1HB   GLU  36          1HB       GLU  36 -19.640  -8.806   2.398
  333   2HB   GLU  36          2HB       GLU  36 -18.406  -8.761   3.662
  334   1HG   GLU  36          1HG       GLU  36 -20.599 -10.880   3.697
  335   2HG   GLU  36          2HG       GLU  36 -19.104 -11.069   2.780
  336    H    GLU  37           H        GLU  37 -21.147  -6.616   2.392
  337    HA   GLU  37           HA       GLU  37 -19.437  -4.538   2.645
  338   1HB   GLU  37          1HB       GLU  37 -21.440  -5.240   0.958
  339   2HB   GLU  37          2HB       GLU  37 -22.347  -4.034   1.852
  340   1HG   GLU  37          1HG       GLU  37 -19.566  -3.453   0.817
  341   2HG   GLU  37          2HG       GLU  37 -20.934  -3.549  -0.288
  342    H    LYS  38           H        LYS  38 -22.574  -4.942   4.354
  343    HA   LYS  38           HA       LYS  38 -22.431  -2.374   5.678
  344   1HB   LYS  38          1HB       LYS  38 -24.477  -3.670   5.326
  345   2HB   LYS  38          2HB       LYS  38 -23.893  -4.945   6.389
  346   1HG   LYS  38          1HG       LYS  38 -24.385  -3.825   8.295
  347   2HG   LYS  38          2HG       LYS  38 -23.805  -2.272   7.698
  348   1HD   LYS  38          1HD       LYS  38 -26.425  -3.483   6.736
  349   2HD   LYS  38          2HD       LYS  38 -26.348  -2.492   8.198
  350   1HE   LYS  38          1HE       LYS  38 -25.297  -1.506   5.497
  351   2HE   LYS  38          2HE       LYS  38 -26.960  -1.249   6.039
  352   1HZ   LYS  38          1HZ       LYS  38 -26.126  -0.071   7.925
  353   2HZ   LYS  38          2HZ       LYS  38 -24.563  -0.325   7.468
  354   3HZ   LYS  38          3HZ       LYS  38 -25.544   0.600   6.539
  355    H    HIS  39           H        HIS  39 -21.459  -5.658   6.651
  356    HA   HIS  39           HA       HIS  39 -20.546  -5.098   9.277
  357   1HB   HIS  39          1HB       HIS  39 -19.796  -7.087   7.123
  358   2HB   HIS  39          2HB       HIS  39 -18.863  -7.060   8.546
  359    HD1  HIS  39           HD1      HIS  39 -20.514  -7.597  10.910
  360    HD2  HIS  39           HD2      HIS  39 -22.045  -8.302   7.063
  361    HE1  HIS  39           HE1      HIS  39 -22.669  -9.067  11.114
  362    HE2  HIS  39           HE2      HIS  39 -23.562  -9.407   8.826
  363    H    ILE  40           H        ILE  40 -18.935  -4.670   6.166
  364    HA   ILE  40           HA       ILE  40 -16.403  -3.771   7.320
  365    HB   ILE  40           HB       ILE  40 -17.546  -4.194   4.559
  366   1HG1  ILE  40          1HG1      ILE  40 -15.105  -5.443   5.873
  367   2HG1  ILE  40          2HG1      ILE  40 -16.673  -6.018   6.319
  368   1HG2  ILE  40          1HG2      ILE  40 -16.060  -2.248   4.335
  369   2HG2  ILE  40          2HG2      ILE  40 -14.777  -3.109   5.209
  370   3HG2  ILE  40          3HG2      ILE  40 -15.337  -3.673   3.611
  371   1HD1  ILE  40          1HD1      ILE  40 -17.271  -6.696   4.118
  372   2HD1  ILE  40          2HD1      ILE  40 -15.813  -6.007   3.406
  373   3HD1  ILE  40          3HD1      ILE  40 -15.703  -7.383   4.532
  374    H    GLU  41           H        GLU  41 -19.298  -2.344   5.929
  375    HA   GLU  41           HA       GLU  41 -18.507   0.270   5.426
  376   1HB   GLU  41          1HB       GLU  41 -20.810  -0.764   5.001
  377   2HB   GLU  41          2HB       GLU  41 -21.135  -0.538   6.737
  378   1HG   GLU  41          1HG       GLU  41 -20.555   1.945   6.306
  379   2HG   GLU  41          2HG       GLU  41 -20.690   1.530   4.588
  380    H    TRP  42           H        TRP  42 -19.418  -1.352   8.496
  381    HA   TRP  42           HA       TRP  42 -19.501   0.699  10.276
  382   1HB   TRP  42          1HB       TRP  42 -19.662  -1.856  10.584
  383   2HB   TRP  42          2HB       TRP  42 -17.913  -1.843  10.789
  384    HD1  TRP  42           HD1      TRP  42 -21.126  -0.818  12.422
  385    HE1  TRP  42           HE1      TRP  42 -20.718   0.222  14.763
  386    HE3  TRP  42           HE3      TRP  42 -16.106  -0.643  12.264
  387    HZ2  TRP  42           HZ2      TRP  42 -18.424   1.255  16.233
  388    HZ3  TRP  42           HZ3      TRP  42 -14.772   0.435  14.094
  389    HH2  TRP  42           HH2      TRP  42 -15.948   1.477  16.019
  390    H    LEU  43           H        LEU  43 -16.577  -0.757   8.913
  391    HA   LEU  43           HA       LEU  43 -14.682   0.867  10.478
  392   1HB   LEU  43          1HB       LEU  43 -14.445  -1.074   8.113
  393   2HB   LEU  43          2HB       LEU  43 -13.082  -0.197   8.763
  394    HG   LEU  43           HG       LEU  43 -14.673  -1.550  10.867
  395   1HD1  LEU  43          1HD1      LEU  43 -15.143  -3.188   9.208
  396   2HD1  LEU  43          2HD1      LEU  43 -13.454  -3.308   8.714
  397   3HD1  LEU  43          3HD1      LEU  43 -13.947  -3.844  10.322
  398   1HD2  LEU  43          1HD2      LEU  43 -11.744  -1.487  10.081
  399   2HD2  LEU  43          2HD2      LEU  43 -12.566  -0.470  11.262
  400   3HD2  LEU  43          3HD2      LEU  43 -12.384  -2.205  11.572
  401    H    GLU  44           H        GLU  44 -15.873   0.646   7.151
  402    HA   GLU  44           HA       GLU  44 -14.434   3.068   6.320
  403   1HB   GLU  44          1HB       GLU  44 -16.508   1.417   4.823
  404   2HB   GLU  44          2HB       GLU  44 -15.493   2.695   4.147
  405   1HG   GLU  44          1HG       GLU  44 -13.467   1.387   4.880
  406   2HG   GLU  44          2HG       GLU  44 -14.535   0.023   5.269
  407    H    THR  45           H        THR  45 -16.416   3.394   8.506
  408    HA   THR  45           HA       THR  45 -17.642   5.809   7.410
  409    HB   THR  45           HB       THR  45 -19.173   3.763   7.067
  410    HG1  THR  45           HG1      THR  45 -19.858   6.281   8.087
  411   1HG2  THR  45          1HG2      THR  45 -19.116   2.865   9.385
  412   2HG2  THR  45          2HG2      THR  45 -20.061   4.263   9.902
  413   3HG2  THR  45          3HG2      THR  45 -20.720   3.128   8.711
  414    H    ILE  46           H        ILE  46 -17.374   3.575  10.095
  415    HA   ILE  46           HA       ILE  46 -17.173   3.824  12.313
  416    HB   ILE  46           HB       ILE  46 -14.944   3.985  11.453
  417   1HG1  ILE  46          1HG1      ILE  46 -13.736   4.993  13.284
  418   2HG1  ILE  46          2HG1      ILE  46 -15.171   5.849  13.850
  419   1HG2  ILE  46          1HG2      ILE  46 -14.949   5.923  10.036
  420   2HG2  ILE  46          2HG2      ILE  46 -15.271   7.006  11.412
  421   3HG2  ILE  46          3HG2      ILE  46 -13.725   6.153  11.274
  422   1HD1  ILE  46          1HD1      ILE  46 -16.272   3.687  14.329
  423   2HD1  ILE  46          2HD1      ILE  46 -14.891   2.833  13.592
  424   3HD1  ILE  46          3HD1      ILE  46 -14.681   3.742  15.105
  425    H    LEU  47           H        LEU  47 -19.412   4.968  11.690
  426    HA   LEU  47           HA       LEU  47 -19.492   7.770  12.460
  427   1HB   LEU  47          1HB       LEU  47 -20.955   6.173  10.715
  428   2HB   LEU  47          2HB       LEU  47 -22.108   6.460  12.009
  429    HG   LEU  47           HG       LEU  47 -20.513   8.605  10.537
  430   1HD1  LEU  47          1HD1      LEU  47 -22.109   7.444   9.061
  431   2HD1  LEU  47          2HD1      LEU  47 -23.420   7.744  10.223
  432   3HD1  LEU  47          3HD1      LEU  47 -22.633   9.105   9.391
  433   1HD2  LEU  47          1HD2      LEU  47 -22.877   8.846  12.464
  434   2HD2  LEU  47          2HD2      LEU  47 -21.205   9.325  12.821
  435   3HD2  LEU  47          3HD2      LEU  47 -22.117  10.181  11.573
  436    H    GLY  48           H        GLY  48 -18.983   7.845  14.646
  437   1HA   GLY  48          1HA       GLY  48 -21.183   6.930  16.486
  438   2HA   GLY  48          2HA       GLY  48 -19.475   6.739  16.905
  439   1HN   NH2  49          1HN       NH2  49 -20.836   9.515  15.086
  440   2HN   NH2  49          2HN       NH2  49 -20.579  10.718  16.378
  441   1H    ACE   0          H1        ACE   0 -11.123 -24.605  -7.295
  442   2H    ACE   0          H2        ACE   0 -11.495 -24.046  -8.940
  443   3H    ACE   0          H3        ACE   0  -9.822 -24.461  -8.495
  444    H    ASP   1           H        ASP   1  -9.956 -22.077  -9.598
  445    HA   ASP   1           HA       ASP   1  -8.669 -20.303  -8.129
  446   1HB   ASP   1          1HB       ASP   1 -10.522 -20.135 -10.497
  447   2HB   ASP   1          2HB       ASP   1 -10.034 -18.647  -9.727
  448    H    TYR   2           H        TYR   2 -12.198 -19.888  -8.644
  449    HA   TYR   2           HA       TYR   2 -12.610 -17.806  -6.860
  450   1HB   TYR   2          1HB       TYR   2 -14.529 -20.112  -7.407
  451   2HB   TYR   2          2HB       TYR   2 -14.921 -18.436  -7.075
  452    HD1  TYR   2           HD1      TYR   2 -15.103 -20.717  -9.604
  453    HD2  TYR   2           HD2      TYR   2 -13.435 -16.793  -8.901
  454    HE1  TYR   2           HE1      TYR   2 -14.828 -20.394 -12.032
  455    HE2  TYR   2           HE2      TYR   2 -13.150 -16.490 -11.339
  456    HH   TYR   2           HH       TYR   2 -14.016 -19.022 -13.704
  457    H    LEU   3           H        LEU   3 -12.666 -21.294  -6.056
  458    HA   LEU   3           HA       LEU   3 -13.517 -20.764  -3.363
  459   1HB   LEU   3          1HB       LEU   3 -12.142 -23.184  -4.594
  460   2HB   LEU   3          2HB       LEU   3 -12.824 -23.156  -2.968
  461    HG   LEU   3           HG       LEU   3 -14.550 -22.520  -5.404
  462   1HD1  LEU   3          1HD1      LEU   3 -13.533 -24.705  -5.827
  463   2HD1  LEU   3          2HD1      LEU   3 -14.018 -25.265  -4.210
  464   3HD1  LEU   3          3HD1      LEU   3 -15.252 -24.874  -5.428
  465   1HD2  LEU   3          1HD2      LEU   3 -15.213 -23.629  -2.636
  466   2HD2  LEU   3          2HD2      LEU   3 -15.477 -21.953  -3.158
  467   3HD2  LEU   3          3HD2      LEU   3 -16.372 -23.270  -3.928
  468    H    ARG   4           H        ARG   4 -10.328 -21.242  -4.903
  469    HA   ARG   4           HA       ARG   4  -8.968 -20.817  -2.326
  470   1HB   ARG   4          1HB       ARG   4  -6.923 -21.086  -3.477
  471   2HB   ARG   4          2HB       ARG   4  -8.023 -22.370  -3.994
  472   1HG   ARG   4          1HG       ARG   4  -8.463 -21.195  -6.092
  473   2HG   ARG   4          2HG       ARG   4  -7.505 -19.798  -5.578
  474   1HD   ARG   4          1HD       ARG   4  -6.108 -20.996  -7.020
  475   2HD   ARG   4          2HD       ARG   4  -5.517 -21.347  -5.382
  476    HE   ARG   4           HE       ARG   4  -7.473 -23.289  -6.261
  477   1HH1  ARG   4          1HH2      ARG   4  -4.109 -22.335  -6.637
  478   2HH1  ARG   4          2HH2      ARG   4  -3.564 -23.872  -7.253
  479   1HH2  ARG   4          1HH1      ARG   4  -6.826 -25.300  -7.122
  480   2HH2  ARG   4          2HH1      ARG   4  -5.163 -25.607  -7.548
  481    H    GLU   5           H        GLU   5 -10.736 -18.682  -3.856
  482    HA   GLU   5           HA       GLU   5  -8.795 -16.416  -3.428
  483   1HB   GLU   5          1HB       GLU   5 -10.961 -16.877  -5.474
  484   2HB   GLU   5          2HB       GLU   5 -10.464 -15.230  -5.045
  485   1HG   GLU   5          1HG       GLU   5  -8.309 -15.517  -5.937
  486   2HG   GLU   5          2HG       GLU   5  -8.374 -17.280  -5.806
  487    H    LEU   6           H        LEU   6 -12.302 -17.045  -3.659
  488    HA   LEU   6           HA       LEU   6 -12.906 -14.862  -1.904
  489   1HB   LEU   6          1HB       LEU   6 -14.623 -17.048  -3.145
  490   2HB   LEU   6          2HB       LEU   6 -15.234 -15.747  -2.116
  491    HG   LEU   6           HG       LEU   6 -14.101 -14.112  -3.815
  492   1HD1  LEU   6          1HD1      LEU   6 -12.919 -15.975  -5.120
  493   2HD1  LEU   6          2HD1      LEU   6 -14.521 -16.443  -5.702
  494   3HD1  LEU   6          3HD1      LEU   6 -13.826 -14.825  -6.029
  495   1HD2  LEU   6          1HD2      LEU   6 -16.579 -15.679  -4.507
  496   2HD2  LEU   6          2HD2      LEU   6 -16.459 -14.328  -3.357
  497   3HD2  LEU   6          3HD2      LEU   6 -16.085 -14.044  -5.054
  498    H    LEU   7           H        LEU   7 -11.683 -17.806  -1.019
  499    HA   LEU   7           HA       LEU   7 -12.897 -17.578   1.612
  500   1HB   LEU   7          1HB       LEU   7 -13.738 -19.590   1.424
  501   2HB   LEU   7          2HB       LEU   7 -13.043 -19.801  -0.168
  502    HG   LEU   7           HG       LEU   7 -10.953 -20.731   0.934
  503   1HD1  LEU   7          1HD1      LEU   7 -12.738 -20.447   3.402
  504   2HD1  LEU   7          2HD1      LEU   7 -11.432 -21.642   3.303
  505   3HD1  LEU   7          3HD1      LEU   7 -11.054 -19.925   3.228
  506   1HD2  LEU   7          1HD2      LEU   7 -13.646 -22.046   1.394
  507   2HD2  LEU   7          2HD2      LEU   7 -12.672 -22.112  -0.083
  508   3HD2  LEU   7          3HD2      LEU   7 -12.074 -22.888   1.389
  509    H    LYS   8           H        LYS   8 -10.031 -18.814  -0.171
  510    HA   LYS   8           HA       LYS   8  -8.364 -18.852   2.037
  511   1HB   LYS   8          1HB       LYS   8  -7.757 -19.965   0.041
  512   2HB   LYS   8          2HB       LYS   8  -7.791 -18.467  -0.896
  513   1HG   LYS   8          1HG       LYS   8  -5.892 -18.530   1.416
  514   2HG   LYS   8          2HG       LYS   8  -5.512 -19.606   0.062
  515   1HD   LYS   8          1HD       LYS   8  -5.287 -17.877  -1.499
  516   2HD   LYS   8          2HD       LYS   8  -6.240 -16.735  -0.568
  517   1HE   LYS   8          1HE       LYS   8  -3.862 -16.134  -0.520
  518   2HE   LYS   8          2HE       LYS   8  -4.507 -16.450   1.097
  519   1HZ   LYS   8          1HZ       LYS   8  -3.526 -18.624   1.002
  520   2HZ   LYS   8          2HZ       LYS   8  -2.934 -18.343  -0.513
  521   3HZ   LYS   8          3HZ       LYS   8  -2.380 -17.466   0.769
  522    H    LEU   9           H        LEU   9  -9.118 -16.136  -0.170
  523    HA   LEU   9           HA       LEU   9  -7.218 -14.346   1.127
  524   1HB   LEU   9          1HB       LEU   9  -9.486 -13.709  -0.806
  525   2HB   LEU   9          2HB       LEU   9  -8.242 -12.591  -0.293
  526    HG   LEU   9           HG       LEU   9  -7.562 -15.167  -1.770
  527   1HD1  LEU   9          1HD1      LEU   9  -9.026 -13.830  -3.198
  528   2HD1  LEU   9          2HD1      LEU   9  -8.041 -12.385  -2.904
  529   3HD1  LEU   9          3HD1      LEU   9  -7.362 -13.765  -3.794
  530   1HD2  LEU   9          1HD2      LEU   9  -6.033 -12.561  -1.304
  531   2HD2  LEU   9          2HD2      LEU   9  -5.681 -14.116  -0.522
  532   3HD2  LEU   9          3HD2      LEU   9  -5.461 -13.936  -2.268
  533    H    GLU  10           H        GLU  10 -10.279 -15.565   2.065
  534    HA   GLU  10           HA       GLU  10 -11.017 -13.162   3.609
  535   1HB   GLU  10          1HB       GLU  10 -12.127 -16.000   3.619
  536   2HB   GLU  10          2HB       GLU  10 -12.672 -14.630   4.531
  537   1HG   GLU  10          1HG       GLU  10 -12.633 -14.460   1.477
  538   2HG   GLU  10          2HG       GLU  10 -13.888 -15.374   2.304
  539    H    LEU  11           H        LEU  11  -9.693 -16.450   3.945
  540    HA   LEU  11           HA       LEU  11  -9.748 -16.636   6.778
  541   1HB   LEU  11          1HB       LEU  11  -9.248 -18.327   4.798
  542   2HB   LEU  11          2HB       LEU  11  -7.559 -17.912   5.058
  543    HG   LEU  11           HG       LEU  11  -9.420 -18.914   7.270
  544   1HD1  LEU  11          1HD1      LEU  11  -9.447 -20.545   5.432
  545   2HD1  LEU  11          2HD1      LEU  11  -7.671 -20.557   5.390
  546   3HD1  LEU  11          3HD1      LEU  11  -8.542 -21.179   6.810
  547   1HD2  LEU  11          1HD2      LEU  11  -6.376 -18.956   6.956
  548   2HD2  LEU  11          2HD2      LEU  11  -7.301 -17.963   8.104
  549   3HD2  LEU  11          3HD2      LEU  11  -7.287 -19.722   8.274
  550    H    GLN  12           H        GLN  12  -7.146 -15.325   4.716
  551    HA   GLN  12           HA       GLN  12  -5.368 -14.682   6.881
  552   1HB   GLN  12          1HB       GLN  12  -4.569 -12.862   5.212
  553   2HB   GLN  12          2HB       GLN  12  -4.593 -14.487   4.516
  554   1HG   GLN  12          1HG       GLN  12  -6.642 -14.056   3.327
  555   2HG   GLN  12          2HG       GLN  12  -6.912 -12.537   4.188
  556   1HE2  GLN  12          2HE2      GLN  12  -7.254 -11.696   2.049
  557   2HE2  GLN  12          1HE2      GLN  12  -5.841 -11.134   1.153
  558    H    LEU  13           H        LEU  13  -8.359 -13.184   6.021
  559    HA   LEU  13           HA       LEU  13  -7.742 -10.603   7.145
  560   1HB   LEU  13          1HB       LEU  13 -10.504 -11.706   6.574
  561   2HB   LEU  13          2HB       LEU  13  -9.994 -10.053   6.874
  562    HG   LEU  13           HG       LEU  13  -9.297 -11.712   4.446
  563   1HD1  LEU  13          1HD1      LEU  13 -11.544 -10.999   4.362
  564   2HD1  LEU  13          2HD1      LEU  13 -11.174  -9.403   5.028
  565   3HD1  LEU  13          3HD1      LEU  13 -10.657  -9.790   3.384
  566   1HD2  LEU  13          1HD2      LEU  13  -8.559  -8.822   5.049
  567   2HD2  LEU  13          2HD2      LEU  13  -7.407 -10.178   4.956
  568   3HD2  LEU  13          3HD2      LEU  13  -8.299  -9.701   3.516
  569    H    ILE  14           H        ILE  14  -9.228 -13.740   8.066
  570    HA   ILE  14           HA       ILE  14 -10.352 -12.735  10.491
  571    HB   ILE  14           HB       ILE  14  -9.583 -15.597   9.639
  572   1HG1  ILE  14          1HG1      ILE  14 -10.992 -14.863   7.975
  573   2HG1  ILE  14          2HG1      ILE  14 -12.072 -15.656   9.100
  574   1HG2  ILE  14          1HG2      ILE  14 -10.165 -15.419  12.125
  575   2HG2  ILE  14          2HG2      ILE  14 -11.699 -14.660  11.671
  576   3HG2  ILE  14          3HG2      ILE  14 -11.370 -16.322  11.191
  577   1HD1  ILE  14          1HD1      ILE  14 -12.550 -13.323  10.086
  578   2HD1  ILE  14          2HD1      ILE  14 -11.686 -12.669   8.676
  579   3HD1  ILE  14          3HD1      ILE  14 -13.139 -13.636   8.445
  580    H    LYS  15           H        LYS  15  -7.121 -14.365  10.148
  581    HA   LYS  15           HA       LYS  15  -5.890 -13.805  12.464
  582   1HB   LYS  15          1HB       LYS  15  -5.311 -14.153   9.512
  583   2HB   LYS  15          2HB       LYS  15  -4.114 -13.378  10.477
  584   1HG   LYS  15          1HG       LYS  15  -3.582 -15.658  10.296
  585   2HG   LYS  15          2HG       LYS  15  -4.042 -15.390  11.981
  586   1HD   LYS  15          1HD       LYS  15  -6.124 -16.538  11.696
  587   2HD   LYS  15          2HD       LYS  15  -6.077 -16.382   9.927
  588   1HE   LYS  15          1HE       LYS  15  -4.212 -17.920   9.738
  589   2HE   LYS  15          2HE       LYS  15  -4.041 -18.028  11.502
  590   1HZ   LYS  15          1HZ       LYS  15  -6.157 -19.079  11.600
  591   2HZ   LYS  15          2HZ       LYS  15  -6.400 -18.890   9.982
  592   3HZ   LYS  15          3HZ       LYS  15  -5.205 -19.885  10.524
  593    H    GLN  16           H        GLN  16  -6.265 -11.606   9.517
  594    HA   GLN  16           HA       GLN  16  -4.645  -9.562  10.809
  595   1HB   GLN  16          1HB       GLN  16  -6.481  -9.502   8.403
  596   2HB   GLN  16          2HB       GLN  16  -5.942  -8.017   9.150
  597   1HG   GLN  16          1HG       GLN  16  -4.430  -8.286   7.466
  598   2HG   GLN  16          2HG       GLN  16  -3.544  -8.803   8.901
  599   1HE2  GLN  16          2HE2      GLN  16  -2.983 -11.062   9.083
  600   2HE2  GLN  16          1HE2      GLN  16  -3.150 -12.137   7.695
  601    H    TYR  17           H        TYR  17  -7.997 -10.411  10.910
  602    HA   TYR  17           HA       TYR  17  -9.047  -7.876  11.824
  603   1HB   TYR  17          1HB       TYR  17 -10.108 -10.660  11.344
  604   2HB   TYR  17          2HB       TYR  17 -10.829  -9.787  12.631
  605    HD1  TYR  17           HD1      TYR  17 -10.847 -10.191   9.045
  606    HD2  TYR  17           HD2      TYR  17 -12.266  -7.865  12.362
  607    HE1  TYR  17           HE1      TYR  17 -12.439  -9.111   7.575
  608    HE2  TYR  17           HE2      TYR  17 -13.897  -6.756  10.860
  609    HH   TYR  17           HH       TYR  17 -14.263  -7.706   7.445
  610    H    ARG  18           H        ARG  18  -7.980 -10.949  13.190
  611    HA   ARG  18           HA       ARG  18  -8.571 -10.267  15.949
  612   1HB   ARG  18          1HB       ARG  18  -6.674 -12.303  14.745
  613   2HB   ARG  18          2HB       ARG  18  -6.991 -12.133  16.484
  614   1HG   ARG  18          1HG       ARG  18  -9.329 -12.696  16.214
  615   2HG   ARG  18          2HG       ARG  18  -9.223 -12.589  14.467
  616   1HD   ARG  18          1HD       ARG  18  -9.224 -14.861  14.824
  617   2HD   ARG  18          2HD       ARG  18  -7.519 -14.547  14.573
  618    HE   ARG  18           HE       ARG  18  -8.957 -15.364  17.017
  619   1HH1  ARG  18          1HH2      ARG  18  -5.890 -14.129  15.789
  620   2HH1  ARG  18          2HH2      ARG  18  -4.964 -14.634  17.176
  621   1HH2  ARG  18          1HH1      ARG  18  -7.801 -15.993  18.834
  622   2HH2  ARG  18          2HH1      ARG  18  -6.090 -15.705  18.968
  623    H    GLU  19           H        GLU  19  -5.752 -10.142  13.903
  624    HA   GLU  19           HA       GLU  19  -3.862  -9.039  15.673
  625   1HB   GLU  19          1HB       GLU  19  -3.510 -10.079  13.343
  626   2HB   GLU  19          2HB       GLU  19  -3.907  -8.465  12.715
  627   1HG   GLU  19          1HG       GLU  19  -2.011  -7.506  13.945
  628   2HG   GLU  19          2HG       GLU  19  -1.666  -9.079  14.683
  629    H    ALA  20           H        ALA  20  -6.549  -7.483  13.901
  630    HA   ALA  20           HA       ALA  20  -5.696  -4.875  15.151
  631   1HB   ALA  20          1HB       ALA  20  -5.450  -4.826  12.751
  632   2HB   ALA  20          2HB       ALA  20  -7.076  -5.477  12.518
  633   3HB   ALA  20          3HB       ALA  20  -6.857  -3.846  13.202
  634    H    LEU  21           H        LEU  21  -7.493  -7.138  16.194
  635    HA   LEU  21           HA       LEU  21 -10.089  -5.732  16.470
  636   1HB   LEU  21          1HB       LEU  21 -10.134  -8.054  15.981
  637   2HB   LEU  21          2HB       LEU  21  -8.973  -8.449  17.237
  638    HG   LEU  21           HG       LEU  21 -11.708  -8.732  17.178
  639   1HD1  LEU  21          1HD1      LEU  21 -10.238 -10.214  18.340
  640   2HD1  LEU  21          2HD1      LEU  21  -9.770  -8.945  19.495
  641   3HD1  LEU  21          3HD1      LEU  21 -11.414  -9.598  19.516
  642   1HD2  LEU  21          1HD2      LEU  21 -11.247  -6.772  19.437
  643   2HD2  LEU  21          2HD2      LEU  21 -11.974  -6.355  17.865
  644   3HD2  LEU  21          3HD2      LEU  21 -12.742  -7.560  18.902
  645    H    GLU  22           H        GLU  22  -7.728  -7.282  18.598
  646    HA   GLU  22           HA       GLU  22  -8.722  -5.714  20.846
  647   1HB   GLU  22          1HB       GLU  22  -7.349  -7.306  22.241
  648   2HB   GLU  22          2HB       GLU  22  -8.661  -8.058  21.329
  649   1HG   GLU  22          1HG       GLU  22  -7.037  -8.795  19.593
  650   2HG   GLU  22          2HG       GLU  22  -5.732  -8.007  20.511
  651    H    TYR  23           H        TYR  23  -5.893  -6.091  18.799
  652    HA   TYR  23           HA       TYR  23  -3.899  -4.821  20.336
  653   1HB   TYR  23          1HB       TYR  23  -4.514  -5.072  17.376
  654   2HB   TYR  23          2HB       TYR  23  -3.145  -4.178  17.972
  655    HD1  TYR  23           HD1      TYR  23  -1.083  -5.190  17.947
  656    HD2  TYR  23           HD2      TYR  23  -4.607  -7.648  18.349
  657    HE1  TYR  23           HE1      TYR  23   0.292  -7.223  17.678
  658    HE2  TYR  23           HE2      TYR  23  -3.215  -9.668  18.185
  659    HH   TYR  23           HH       TYR  23  -1.113 -10.502  17.755
  660    H    VAL  24           H        VAL  24  -6.772  -3.554  18.792
  661    HA   VAL  24           HA       VAL  24  -5.802  -0.757  19.149
  662    HB   VAL  24           HB       VAL  24  -6.687  -1.008  17.091
  663   1HG1  VAL  24          1HG1      VAL  24  -8.009  -3.090  17.285
  664   2HG1  VAL  24          2HG1      VAL  24  -9.392  -2.123  17.830
  665   3HG1  VAL  24          3HG1      VAL  24  -8.676  -1.819  16.260
  666   1HG2  VAL  24          1HG2      VAL  24  -9.078   0.235  18.402
  667   2HG2  VAL  24          2HG2      VAL  24  -7.463   0.989  18.508
  668   3HG2  VAL  24          3HG2      VAL  24  -8.225   0.706  16.931
  669    H    LYS  25           H        LYS  25  -9.009  -1.868  19.577
  670    HA   LYS  25           HA       LYS  25  -9.249  -2.299  22.333
  671   1HB   LYS  25          1HB       LYS  25 -10.041  -0.082  23.219
  672   2HB   LYS  25          2HB       LYS  25  -8.348  -0.105  22.843
  673   1HG   LYS  25          1HG       LYS  25  -9.138   0.864  20.489
  674   2HG   LYS  25          2HG       LYS  25 -10.600   1.291  21.368
  675   1HD   LYS  25          1HD       LYS  25  -7.733   2.057  22.133
  676   2HD   LYS  25          2HD       LYS  25  -8.810   3.067  21.159
  677   1HE   LYS  25          1HE       LYS  25 -10.442   3.160  23.044
  678   2HE   LYS  25          2HE       LYS  25  -9.321   2.213  24.044
  679   1HZ   LYS  25          1HZ       LYS  25  -7.719   3.960  23.798
  680   2HZ   LYS  25          2HZ       LYS  25  -8.740   4.833  22.842
  681   3HZ   LYS  25          3HZ       LYS  25  -9.118   4.566  24.423
  682    H    LEU  26           H        LEU  26 -10.620  -2.981  19.722
  683    HA   LEU  26           HA       LEU  26 -13.326  -1.765  20.248
  684   1HB   LEU  26          1HB       LEU  26 -12.041  -0.888  18.266
  685   2HB   LEU  26          2HB       LEU  26 -12.266  -2.473  17.541
  686    HG   LEU  26           HG       LEU  26 -14.835  -1.863  18.535
  687   1HD1  LEU  26          1HD1      LEU  26 -15.352   0.399  17.947
  688   2HD1  LEU  26          2HD1      LEU  26 -13.976   0.448  19.055
  689   3HD1  LEU  26          3HD1      LEU  26 -13.715   0.684  17.313
  690   1HD2  LEU  26          1HD2      LEU  26 -13.763  -1.336  15.745
  691   2HD2  LEU  26          2HD2      LEU  26 -14.385  -2.876  16.389
  692   3HD2  LEU  26          3HD2      LEU  26 -15.473  -1.498  16.216
  693    HA   PRO  27           HA       PRO  27 -13.572  -6.373  20.670
  694   1HB   PRO  27          1HB       PRO  27 -15.916  -6.449  22.179
  695   2HB   PRO  27          2HB       PRO  27 -14.254  -6.351  22.817
  696   1HG   PRO  27          1HG       PRO  27 -16.192  -4.081  22.349
  697   2HG   PRO  27          2HG       PRO  27 -15.155  -4.367  23.779
  698   1HD   PRO  27          1HD       PRO  27 -14.444  -2.604  21.884
  699   2HD   PRO  27          2HD       PRO  27 -13.196  -3.668  22.589
  700    H    VAL  28           H        VAL  28 -16.123  -4.104  19.679
  701    HA   VAL  28           HA       VAL  28 -17.969  -5.736  18.424
  702    HB   VAL  28           HB       VAL  28 -16.860  -3.069  17.652
  703   1HG1  VAL  28          1HG1      VAL  28 -17.783  -3.923  15.587
  704   2HG1  VAL  28          2HG1      VAL  28 -19.234  -4.524  16.424
  705   3HG1  VAL  28          3HG1      VAL  28 -18.942  -2.779  16.256
  706   1HG2  VAL  28          1HG2      VAL  28 -19.496  -3.886  18.942
  707   2HG2  VAL  28          2HG2      VAL  28 -18.113  -3.172  19.801
  708   3HG2  VAL  28          3HG2      VAL  28 -18.985  -2.227  18.584
  709    H    LEU  29           H        LEU  29 -14.649  -5.115  17.322
  710    HA   LEU  29           HA       LEU  29 -15.113  -5.671  14.557
  711   1HB   LEU  29          1HB       LEU  29 -12.826  -5.113  16.327
  712   2HB   LEU  29          2HB       LEU  29 -12.427  -6.347  15.151
  713    HG   LEU  29           HG       LEU  29 -13.741  -3.696  14.400
  714   1HD1  LEU  29          1HD1      LEU  29 -11.551  -3.315  15.594
  715   2HD1  LEU  29          2HD1      LEU  29 -10.783  -4.390  14.424
  716   3HD1  LEU  29          3HD1      LEU  29 -11.499  -2.852  13.891
  717   1HD2  LEU  29          1HD2      LEU  29 -12.064  -5.690  12.827
  718   2HD2  LEU  29          2HD2      LEU  29 -13.839  -5.585  12.756
  719   3HD2  LEU  29          3HD2      LEU  29 -12.847  -4.242  12.191
  720    H    ALA  30           H        ALA  30 -14.386  -7.651  17.376
  721    HA   ALA  30           HA       ALA  30 -13.960 -10.060  15.879
  722   1HB   ALA  30          1HB       ALA  30 -14.775  -9.540  18.798
  723   2HB   ALA  30          2HB       ALA  30 -14.523 -11.169  18.149
  724   3HB   ALA  30          3HB       ALA  30 -13.181 -10.030  18.199
  725    H    LYS  31           H        LYS  31 -16.859  -8.318  16.880
  726    HA   LYS  31           HA       LYS  31 -18.502 -10.733  16.403
  727   1HB   LYS  31          1HB       LYS  31 -19.108  -7.921  17.259
  728   2HB   LYS  31          2HB       LYS  31 -20.381  -8.886  16.481
  729   1HG   LYS  31          1HG       LYS  31 -20.125 -10.687  18.043
  730   2HG   LYS  31          2HG       LYS  31 -18.722  -9.936  18.816
  731   1HD   LYS  31          1HD       LYS  31 -19.992  -8.422  20.000
  732   2HD   LYS  31          2HD       LYS  31 -21.240  -8.299  18.743
  733   1HE   LYS  31          1HE       LYS  31 -22.179 -10.456  19.330
  734   2HE   LYS  31          2HE       LYS  31 -20.874 -10.783  20.485
  735   1HZ   LYS  31          1HZ       LYS  31 -21.651  -9.003  21.821
  736   2HZ   LYS  31          2HZ       LYS  31 -22.802  -8.579  20.716
  737   3HZ   LYS  31          3HZ       LYS  31 -22.908 -10.021  21.510
  738    H    ILE  32           H        ILE  32 -17.444  -7.966  14.458
  739    HA   ILE  32           HA       ILE  32 -19.196  -8.490  12.293
  740    HB   ILE  32           HB       ILE  32 -16.483  -7.075  12.428
  741   1HG1  ILE  32          1HG1      ILE  32 -19.276  -5.833  12.687
  742   2HG1  ILE  32          2HG1      ILE  32 -18.194  -6.062  14.045
  743   1HG2  ILE  32          1HG2      ILE  32 -17.140  -6.129  10.327
  744   2HG2  ILE  32          2HG2      ILE  32 -17.655  -7.820  10.195
  745   3HG2  ILE  32          3HG2      ILE  32 -18.836  -6.563  10.620
  746   1HD1  ILE  32          1HD1      ILE  32 -16.514  -4.582  13.053
  747   2HD1  ILE  32          2HD1      ILE  32 -17.552  -4.324  11.639
  748   3HD1  ILE  32          3HD1      ILE  32 -18.081  -3.768  13.227
  749    H    LEU  33           H        LEU  33 -15.741  -9.210  13.126
  750    HA   LEU  33           HA       LEU  33 -15.253 -10.700  10.803
  751   1HB   LEU  33          1HB       LEU  33 -13.177 -11.098  11.618
  752   2HB   LEU  33          2HB       LEU  33 -13.683  -9.734  12.615
  753    HG   LEU  33           HG       LEU  33 -14.371 -11.406  14.357
  754   1HD1  LEU  33          1HD1      LEU  33 -14.346 -13.549  13.870
  755   2HD1  LEU  33          2HD1      LEU  33 -13.469 -13.264  12.346
  756   3HD1  LEU  33          3HD1      LEU  33 -12.580 -13.472  13.876
  757   1HD2  LEU  33          1HD2      LEU  33 -11.429 -11.449  13.704
  758   2HD2  LEU  33          2HD2      LEU  33 -12.257  -9.986  14.327
  759   3HD2  LEU  33          3HD2      LEU  33 -12.183 -11.463  15.306
  760    H    GLU  34           H        GLU  34 -16.599 -11.774  13.966
  761    HA   GLU  34           HA       GLU  34 -16.546 -14.541  13.418
  762   1HB   GLU  34          1HB       GLU  34 -17.141 -13.310  15.589
  763   2HB   GLU  34          2HB       GLU  34 -18.771 -13.143  14.958
  764   1HG   GLU  34          1HG       GLU  34 -18.964 -15.600  14.815
  765   2HG   GLU  34          2HG       GLU  34 -17.262 -15.783  15.274
  766    H    ASP  35           H        ASP  35 -19.040 -12.105  12.821
  767    HA   ASP  35           HA       ASP  35 -20.916 -13.745  11.481
  768   1HB   ASP  35          1HB       ASP  35 -21.277 -11.358  12.189
  769   2HB   ASP  35          2HB       ASP  35 -20.351 -10.845  10.769
  770    H    GLU  36           H        GLU  36 -18.306 -11.716   9.923
  771    HA   GLU  36           HA       GLU  36 -18.469 -12.726   7.396
  772   1HB   GLU  36          1HB       GLU  36 -15.825 -12.109   8.756
  773   2HB   GLU  36          2HB       GLU  36 -16.223 -12.092   7.040
  774   1HG   GLU  36          1HG       GLU  36 -18.107 -10.304   8.108
  775   2HG   GLU  36          2HG       GLU  36 -16.673 -10.013   9.080
  776    H    GLU  37           H        GLU  37 -16.674 -14.315  10.179
  777    HA   GLU  37           HA       GLU  37 -15.544 -16.386   8.767
  778   1HB   GLU  37          1HB       GLU  37 -15.660 -15.546  11.354
  779   2HB   GLU  37          2HB       GLU  37 -16.658 -16.998  11.469
  780   1HG   GLU  37          1HG       GLU  37 -13.876 -16.842  10.218
  781   2HG   GLU  37          2HG       GLU  37 -14.215 -17.092  11.926
  782    H    LYS  38           H        LYS  38 -18.953 -16.028   9.753
  783    HA   LYS  38           HA       LYS  38 -19.634 -18.747   8.977
  784   1HB   LYS  38          1HB       LYS  38 -20.858 -17.173  10.613
  785   2HB   LYS  38          2HB       LYS  38 -21.520 -16.378   9.176
  786   1HG   LYS  38          1HG       LYS  38 -22.332 -18.693   8.407
  787   2HG   LYS  38          2HG       LYS  38 -21.769 -19.321   9.963
  788   1HD   LYS  38          1HD       LYS  38 -23.338 -17.631  11.088
  789   2HD   LYS  38          2HD       LYS  38 -23.929 -17.210   9.472
  790   1HE   LYS  38          1HE       LYS  38 -25.473 -18.818  10.415
  791   2HE   LYS  38          2HE       LYS  38 -24.572 -19.638   9.129
  792   1HZ   LYS  38          1HZ       LYS  38 -23.167 -20.590  10.824
  793   2HZ   LYS  38          2HZ       LYS  38 -24.004 -19.813  12.009
  794   3HZ   LYS  38          3HZ       LYS  38 -24.743 -20.972  11.100
  795    H    HIS  39           H        HIS  39 -19.840 -15.538   7.359
  796    HA   HIS  39           HA       HIS  39 -21.065 -16.529   4.950
  797   1HB   HIS  39          1HB       HIS  39 -19.210 -14.170   5.453
  798   2HB   HIS  39          2HB       HIS  39 -19.922 -14.531   3.888
  799    HD1  HIS  39           HD1      HIS  39 -22.796 -14.753   4.038
  800    HD2  HIS  39           HD2      HIS  39 -20.684 -12.631   7.002
  801    HE1  HIS  39           HE1      HIS  39 -24.491 -13.180   5.175
  802    HE2  HIS  39           HE2      HIS  39 -23.158 -11.882   6.964
  803    H    ILE  40           H        ILE  40 -17.695 -16.309   6.005
  804    HA   ILE  40           HA       ILE  40 -16.495 -17.257   3.592
  805    HB   ILE  40           HB       ILE  40 -15.505 -17.331   6.470
  806   1HG1  ILE  40          1HG1      ILE  40 -14.729 -15.386   4.302
  807   2HG1  ILE  40          2HG1      ILE  40 -16.113 -15.015   5.266
  808   1HG2  ILE  40          1HG2      ILE  40 -14.219 -18.888   5.046
  809   2HG2  ILE  40          2HG2      ILE  40 -14.041 -17.640   3.802
  810   3HG2  ILE  40          3HG2      ILE  40 -13.235 -17.461   5.372
  811   1HD1  ILE  40          1HD1      ILE  40 -14.841 -14.988   7.317
  812   2HD1  ILE  40          2HD1      ILE  40 -13.370 -15.498   6.485
  813   3HD1  ILE  40          3HD1      ILE  40 -14.110 -13.914   6.141
  814    H    GLU  41           H        GLU  41 -17.555 -18.867   6.636
  815    HA   GLU  41           HA       GLU  41 -16.888 -21.477   5.983
  816   1HB   GLU  41          1HB       GLU  41 -17.722 -20.645   8.165
  817   2HB   GLU  41          2HB       GLU  41 -19.362 -20.564   7.514
  818   1HG   GLU  41          1HG       GLU  41 -17.823 -23.150   7.333
  819   2HG   GLU  41          2HG       GLU  41 -18.490 -22.632   8.889
  820    H    TRP  42           H        TRP  42 -19.752 -19.575   4.820
  821    HA   TRP  42           HA       TRP  42 -21.119 -21.626   3.606
  822   1HB   TRP  42          1HB       TRP  42 -21.564 -19.078   3.794
  823   2HB   TRP  42          2HB       TRP  42 -20.722 -18.959   2.256
  824    HD1  TRP  42           HD1      TRP  42 -23.836 -20.495   3.766
  825    HE1  TRP  42           HE1      TRP  42 -25.459 -21.225   1.876
  826    HE3  TRP  42           HE3      TRP  42 -20.829 -19.544  -0.139
  827    HZ2  TRP  42           HZ2      TRP  42 -25.321 -21.504  -1.065
  828    HZ3  TRP  42           HZ3      TRP  42 -21.546 -20.028  -2.505
  829    HH2  TRP  42           HH2      TRP  42 -23.722 -21.146  -2.920
  830    H    LEU  43           H        LEU  43 -18.170 -20.005   2.558
  831    HA   LEU  43           HA       LEU  43 -18.092 -21.305  -0.060
  832   1HB   LEU  43          1HB       LEU  43 -15.932 -19.807   1.430
  833   2HB   LEU  43          2HB       LEU  43 -15.749 -20.553  -0.154
  834    HG   LEU  43           HG       LEU  43 -18.095 -19.011  -0.428
  835   1HD1  LEU  43          1HD1      LEU  43 -17.654 -17.766   1.611
  836   2HD1  LEU  43          2HD1      LEU  43 -15.979 -17.456   1.126
  837   3HD1  LEU  43          3HD1      LEU  43 -17.312 -16.716   0.230
  838   1HD2  LEU  43          1HD2      LEU  43 -15.230 -18.347  -1.213
  839   2HD2  LEU  43          2HD2      LEU  43 -16.362 -19.336  -2.156
  840   3HD2  LEU  43          3HD2      LEU  43 -16.694 -17.613  -1.905
  841    H    GLU  44           H        GLU  44 -16.878 -22.140   3.259
  842    HA   GLU  44           HA       GLU  44 -15.709 -24.614   2.078
  843   1HB   GLU  44          1HB       GLU  44 -15.905 -23.689   4.968
  844   2HB   GLU  44          2HB       GLU  44 -15.202 -25.207   4.397
  845   1HG   GLU  44          1HG       GLU  44 -13.705 -23.806   2.867
  846   2HG   GLU  44          2HG       GLU  44 -14.157 -22.415   3.879
  847    H    THR  45           H        THR  45 -18.604 -24.078   1.645
  848    HA   THR  45           HA       THR  45 -19.311 -26.804   2.536
  849    HB   THR  45           HB       THR  45 -20.031 -24.900   4.195
  850    HG1  THR  45           HG1      THR  45 -20.547 -27.008   4.547
  851   1HG2  THR  45          1HG2      THR  45 -21.300 -23.556   2.655
  852   2HG2  THR  45          2HG2      THR  45 -22.473 -24.863   2.448
  853   3HG2  THR  45          3HG2      THR  45 -22.218 -24.095   4.046
  854    H    ILE  46           H        ILE  46 -20.394 -23.954   0.813
  855    HA   ILE  46           HA       ILE  46 -21.679 -23.717  -1.048
  856    HB   ILE  46           HB       ILE  46 -19.397 -23.667  -1.740
  857   1HG1  ILE  46          1HG1      ILE  46 -19.539 -24.083  -4.110
  858   2HG1  ILE  46          2HG1      ILE  46 -20.966 -25.099  -3.926
  859   1HG2  ILE  46          1HG2      ILE  46 -18.536 -25.829  -1.082
  860   2HG2  ILE  46          2HG2      ILE  46 -19.521 -26.652  -2.309
  861   3HG2  ILE  46          3HG2      ILE  46 -18.224 -25.552  -2.791
  862   1HD1  ILE  46          1HD1      ILE  46 -22.262 -23.175  -3.120
  863   2HD1  ILE  46          2HD1      ILE  46 -20.785 -22.173  -3.122
  864   3HD1  ILE  46          3HD1      ILE  46 -21.475 -22.763  -4.650
  865    H    LEU  47           H        LEU  47 -23.380 -25.045   0.082
  866    HA   LEU  47           HA       LEU  47 -25.105 -26.528   0.016
  867   1HB   LEU  47          1HB       LEU  47 -25.408 -25.646  -2.304
  868   2HB   LEU  47          2HB       LEU  47 -24.381 -26.941  -2.905
  869    HG   LEU  47           HG       LEU  47 -26.252 -28.382  -1.436
  870   1HD1  LEU  47          1HD1      LEU  47 -27.616 -26.352  -1.039
  871   2HD1  LEU  47          2HD1      LEU  47 -27.744 -26.105  -2.796
  872   3HD1  LEU  47          3HD1      LEU  47 -28.456 -27.547  -2.043
  873   1HD2  LEU  47          1HD2      LEU  47 -26.386 -27.598  -4.373
  874   2HD2  LEU  47          2HD2      LEU  47 -25.417 -28.917  -3.681
  875   3HD2  LEU  47          3HD2      LEU  47 -27.186 -28.997  -3.619
  876    H    GLY  48           H        GLY  48 -23.305 -27.573   1.422
  877   1HA   GLY  48          1HA       GLY  48 -22.071 -29.997   0.535
  878   2HA   GLY  48          2HA       GLY  48 -22.348 -29.476   2.203
  879   1HN   NH2  49          1HN       NH2  49 -24.168 -30.773  -0.665
  880   2HN   NH2  49          2HN       NH2  49 -25.289 -31.771   0.299
  Start of MODEL   10
    1   1H    ACE   0          H1        ACE   0   6.570  14.609  -3.408
    2   2H    ACE   0          H2        ACE   0   5.492  15.632  -4.377
    3   3H    ACE   0          H3        ACE   0   7.140  15.291  -4.949
    4    H    ASP   1           H        ASP   1   5.474  14.755  -6.824
    5    HA   ASP   1           HA       ASP   1   3.735  12.643  -6.570
    6   1HB   ASP   1          1HB       ASP   1   3.882  14.401  -8.412
    7   2HB   ASP   1          2HB       ASP   1   5.060  13.348  -9.211
    8    H    TYR   2           H        TYR   2   7.099  12.407  -7.123
    9    HA   TYR   2           HA       TYR   2   8.216   9.979  -7.608
   10   1HB   TYR   2          1HB       TYR   2   8.237  11.960  -5.432
   11   2HB   TYR   2          2HB       TYR   2   8.397  10.363  -4.764
   12    HD1  TYR   2           HD1      TYR   2   9.937   8.825  -6.651
   13    HD2  TYR   2           HD2      TYR   2  10.356  12.945  -5.457
   14    HE1  TYR   2           HE1      TYR   2  12.367   8.646  -6.854
   15    HE2  TYR   2           HE2      TYR   2  12.762  12.826  -5.946
   16    HH   TYR   2           HH       TYR   2  14.147  10.055  -7.699
   17    H    LEU   3           H        LEU   3   5.834  10.292  -4.866
   18    HA   LEU   3           HA       LEU   3   5.991   7.597  -4.117
   19   1HB   LEU   3          1HB       LEU   3   3.572   9.471  -3.929
   20   2HB   LEU   3          2HB       LEU   3   3.583   7.827  -3.317
   21    HG   LEU   3           HG       LEU   3   5.771   8.646  -2.014
   22   1HD1  LEU   3          1HD1      LEU   3   5.756  10.955  -2.766
   23   2HD1  LEU   3          2HD1      LEU   3   4.041  11.149  -2.317
   24   3HD1  LEU   3          3HD1      LEU   3   5.271  10.928  -1.064
   25   1HD2  LEU   3          1HD2      LEU   3   2.887   9.137  -1.167
   26   2HD2  LEU   3          2HD2      LEU   3   3.779   7.611  -0.990
   27   3HD2  LEU   3          3HD2      LEU   3   4.269   9.031  -0.058
   28    H    ARG   4           H        ARG   4   4.236   8.820  -6.870
   29    HA   ARG   4           HA       ARG   4   2.571   6.696  -7.511
   30   1HB   ARG   4          1HB       ARG   4   2.727   7.427  -9.766
   31   2HB   ARG   4          2HB       ARG   4   2.848   8.856  -8.733
   32   1HG   ARG   4          1HG       ARG   4   5.438   8.559  -8.986
   33   2HG   ARG   4          2HG       ARG   4   5.038   7.441 -10.308
   34   1HD   ARG   4          1HD       ARG   4   3.715   9.336 -11.364
   35   2HD   ARG   4          2HD       ARG   4   4.320  10.362 -10.047
   36    HE   ARG   4           HE       ARG   4   6.441   8.957 -11.431
   37   1HH1  ARG   4          1HH2      ARG   4   4.377  11.837 -11.545
   38   2HH1  ARG   4          2HH2      ARG   4   5.477  12.747 -12.538
   39   1HH2  ARG   4          1HH1      ARG   4   7.880  10.133 -12.711
   40   2HH2  ARG   4          2HH1      ARG   4   7.517  11.755 -13.227
   41    H    GLU   5           H        GLU   5   6.093   6.866  -7.609
   42    HA   GLU   5           HA       GLU   5   6.484   4.617  -9.421
   43   1HB   GLU   5          1HB       GLU   5   8.423   5.972  -7.488
   44   2HB   GLU   5          2HB       GLU   5   8.849   4.814  -8.747
   45   1HG   GLU   5          1HG       GLU   5   8.090   6.377 -10.494
   46   2HG   GLU   5          2HG       GLU   5   7.543   7.529  -9.266
   47    H    LEU   6           H        LEU   6   5.885   5.058  -6.021
   48    HA   LEU   6           HA       LEU   6   7.087   2.479  -5.259
   49   1HB   LEU   6          1HB       LEU   6   5.924   4.783  -3.631
   50   2HB   LEU   6          2HB       LEU   6   6.631   3.284  -3.004
   51    HG   LEU   6           HG       LEU   6   8.805   3.915  -4.100
   52   1HD1  LEU   6          1HD1      LEU   6   7.422   6.025  -5.315
   53   2HD1  LEU   6          2HD1      LEU   6   8.140   6.800  -3.938
   54   3HD1  LEU   6          3HD1      LEU   6   9.158   5.902  -5.098
   55   1HD2  LEU   6          1HD2      LEU   6   7.609   5.741  -1.951
   56   2HD2  LEU   6          2HD2      LEU   6   8.240   4.125  -1.648
   57   3HD2  LEU   6          3HD2      LEU   6   9.339   5.405  -2.166
   58    H    LEU   7           H        LEU   7   4.154   3.444  -6.560
   59    HA   LEU   7           HA       LEU   7   2.715   1.390  -5.101
   60   1HB   LEU   7          1HB       LEU   7   0.767   2.735  -4.822
   61   2HB   LEU   7          2HB       LEU   7   2.174   3.443  -4.045
   62    HG   LEU   7           HG       LEU   7   2.340   4.824  -6.308
   63   1HD1  LEU   7          1HD1      LEU   7   0.105   3.683  -7.163
   64   2HD1  LEU   7          2HD1      LEU   7  -0.679   4.739  -5.995
   65   3HD1  LEU   7          3HD1      LEU   7   0.279   5.442  -7.297
   66   1HD2  LEU   7          1HD2      LEU   7   0.447   5.506  -4.029
   67   2HD2  LEU   7          2HD2      LEU   7   2.198   5.783  -4.051
   68   3HD2  LEU   7          3HD2      LEU   7   1.152   6.665  -5.173
   69    H    LYS   8           H        LYS   8   2.615   3.534  -7.983
   70    HA   LYS   8           HA       LYS   8   0.630   1.985  -9.174
   71   1HB   LYS   8          1HB       LYS   8   1.302   4.428  -9.545
   72   2HB   LYS   8          2HB       LYS   8   2.526   3.845 -10.673
   73   1HG   LYS   8          1HG       LYS   8   0.928   3.271 -12.272
   74   2HG   LYS   8          2HG       LYS   8  -0.264   2.794 -11.056
   75   1HD   LYS   8          1HD       LYS   8  -0.682   5.128 -10.445
   76   2HD   LYS   8          2HD       LYS   8   0.467   5.699 -11.661
   77   1HE   LYS   8          1HE       LYS   8  -1.817   3.881 -12.505
   78   2HE   LYS   8          2HE       LYS   8  -2.174   5.562 -12.114
   79   1HZ   LYS   8          1HZ       LYS   8  -0.627   6.275 -13.737
   80   2HZ   LYS   8          2HZ       LYS   8  -0.194   4.730 -14.111
   81   3HZ   LYS   8          3HZ       LYS   8  -1.721   5.262 -14.429
   82    H    LEU   9           H        LEU   9   4.139   1.942  -9.300
   83    HA   LEU   9           HA       LEU   9   4.351  -0.193 -11.274
   84   1HB   LEU   9          1HB       LEU   9   6.227   0.977  -9.216
   85   2HB   LEU   9          2HB       LEU   9   6.651  -0.455 -10.148
   86    HG   LEU   9           HG       LEU   9   5.786   2.056 -11.592
   87   1HD1  LEU   9          1HD1      LEU   9   7.659   2.762 -10.167
   88   2HD1  LEU   9          2HD1      LEU   9   8.616   1.366 -10.681
   89   3HD1  LEU   9          3HD1      LEU   9   8.190   2.634 -11.843
   90   1HD2  LEU   9          1HD2      LEU   9   7.624  -0.283 -12.317
   91   2HD2  LEU   9          2HD2      LEU   9   5.948  -0.095 -12.866
   92   3HD2  LEU   9          3HD2      LEU   9   7.181   1.059 -13.387
   93    H    GLU  10           H        GLU  10   4.231  -0.012  -7.643
   94    HA   GLU  10           HA       GLU  10   4.594  -2.720  -7.103
   95   1HB   GLU  10          1HB       GLU  10   2.877  -0.750  -5.657
   96   2HB   GLU  10          2HB       GLU  10   3.226  -2.406  -5.193
   97   1HG   GLU  10          1HG       GLU  10   5.453  -0.366  -5.457
   98   2HG   GLU  10          2HG       GLU  10   4.547  -0.652  -3.979
   99    H    LEU  11           H        LEU  11   1.568  -1.046  -8.019
  100    HA   LEU  11           HA       LEU  11  -0.221  -3.184  -7.705
  101   1HB   LEU  11          1HB       LEU  11  -0.966  -0.982  -8.233
  102   2HB   LEU  11          2HB       LEU  11  -0.132  -0.960  -9.785
  103    HG   LEU  11           HG       LEU  11  -2.140  -3.160  -9.389
  104   1HD1  LEU  11          1HD1      LEU  11  -3.322  -1.269  -8.386
  105   2HD1  LEU  11          2HD1      LEU  11  -2.949  -0.254  -9.796
  106   3HD1  LEU  11          3HD1      LEU  11  -4.018  -1.664  -9.966
  107   1HD2  LEU  11          1HD2      LEU  11  -1.572  -1.224 -11.694
  108   2HD2  LEU  11          2HD2      LEU  11  -0.909  -2.860 -11.571
  109   3HD2  LEU  11          3HD2      LEU  11  -2.649  -2.631 -11.753
  110    H    GLN  12           H        GLN  12   2.076  -2.606 -10.394
  111    HA   GLN  12           HA       GLN  12   1.058  -4.709 -12.073
  112   1HB   GLN  12          1HB       GLN  12   3.888  -3.597 -11.967
  113   2HB   GLN  12          2HB       GLN  12   3.173  -4.581 -13.244
  114   1HG   GLN  12          1HG       GLN  12   1.417  -2.778 -13.569
  115   2HG   GLN  12          2HG       GLN  12   2.364  -1.741 -12.488
  116   1HE2  GLN  12          2HE2      GLN  12   4.969  -2.178 -13.196
  117   2HE2  GLN  12          1HE2      GLN  12   5.211  -1.800 -14.895
  118    H    LEU  13           H        LEU  13   3.118  -4.701  -9.215
  119    HA   LEU  13           HA       LEU  13   4.366  -7.266  -9.735
  120   1HB   LEU  13          1HB       LEU  13   4.133  -5.857  -7.066
  121   2HB   LEU  13          2HB       LEU  13   5.259  -7.110  -7.575
  122    HG   LEU  13           HG       LEU  13   5.170  -4.238  -8.570
  123   1HD1  LEU  13          1HD1      LEU  13   6.206  -5.255  -6.209
  124   2HD1  LEU  13          2HD1      LEU  13   7.594  -5.360  -7.306
  125   3HD1  LEU  13          3HD1      LEU  13   6.799  -3.818  -7.029
  126   1HD2  LEU  13          1HD2      LEU  13   7.069  -6.480  -9.362
  127   2HD2  LEU  13          2HD2      LEU  13   5.935  -5.620 -10.432
  128   3HD2  LEU  13          3HD2      LEU  13   7.295  -4.747  -9.704
  129    H    ILE  14           H        ILE  14   1.703  -6.015  -7.636
  130    HA   ILE  14           HA       ILE  14   1.006  -8.645  -6.606
  131    HB   ILE  14           HB       ILE  14  -0.288  -5.919  -6.669
  132   1HG1  ILE  14          1HG1      ILE  14  -0.223  -6.216  -4.259
  133   2HG1  ILE  14          2HG1      ILE  14   0.192  -7.928  -4.413
  134   1HG2  ILE  14          1HG2      ILE  14  -2.231  -7.325  -7.134
  135   2HG2  ILE  14          2HG2      ILE  14  -1.747  -8.474  -5.864
  136   3HG2  ILE  14          3HG2      ILE  14  -2.254  -6.827  -5.443
  137   1HD1  ILE  14          1HD1      ILE  14   2.423  -7.331  -5.299
  138   2HD1  ILE  14          2HD1      ILE  14   1.968  -5.631  -5.318
  139   3HD1  ILE  14          3HD1      ILE  14   2.115  -6.530  -3.779
  140    H    LYS  15           H        LYS  15  -0.105  -6.780  -9.423
  141    HA   LYS  15           HA       LYS  15  -1.956  -8.723 -10.388
  142   1HB   LYS  15          1HB       LYS  15  -1.949  -6.503 -11.179
  143   2HB   LYS  15          2HB       LYS  15  -0.262  -6.557 -11.661
  144   1HG   LYS  15          1HG       LYS  15  -2.204  -8.449 -13.004
  145   2HG   LYS  15          2HG       LYS  15  -2.247  -6.722 -13.403
  146   1HD   LYS  15          1HD       LYS  15   0.216  -6.760 -13.840
  147   2HD   LYS  15          2HD       LYS  15   0.208  -8.516 -13.617
  148   1HE   LYS  15          1HE       LYS  15  -1.418  -8.762 -15.483
  149   2HE   LYS  15          2HE       LYS  15  -1.444  -6.999 -15.698
  150   1HZ   LYS  15          1HZ       LYS  15   0.888  -7.101 -16.215
  151   2HZ   LYS  15          2HZ       LYS  15   0.888  -8.745 -16.043
  152   3HZ   LYS  15          3HZ       LYS  15   0.009  -8.040 -17.243
  153    H    GLN  16           H        GLN  16   1.595  -8.330 -10.948
  154    HA   GLN  16           HA       GLN  16   1.728 -10.661 -12.636
  155   1HB   GLN  16          1HB       GLN  16   3.792  -8.922 -11.262
  156   2HB   GLN  16          2HB       GLN  16   4.282 -10.464 -11.939
  157   1HG   GLN  16          1HG       GLN  16   2.840  -8.322 -13.541
  158   2HG   GLN  16          2HG       GLN  16   4.594  -8.584 -13.534
  159   1HE2  GLN  16          2HE2      GLN  16   3.152  -8.769 -15.981
  160   2HE2  GLN  16          1HE2      GLN  16   3.100 -10.474 -16.432
  161    H    TYR  17           H        TYR  17   1.921 -10.224  -9.150
  162    HA   TYR  17           HA       TYR  17   2.976 -12.822  -8.575
  163   1HB   TYR  17          1HB       TYR  17   1.503 -10.689  -7.025
  164   2HB   TYR  17          2HB       TYR  17   1.700 -12.245  -6.310
  165    HD1  TYR  17           HD1      TYR  17   2.782  -9.420  -5.488
  166    HD2  TYR  17           HD2      TYR  17   4.412 -13.103  -6.913
  167    HE1  TYR  17           HE1      TYR  17   4.914  -8.914  -4.332
  168    HE2  TYR  17           HE2      TYR  17   6.556 -12.597  -5.811
  169    HH   TYR  17           HH       TYR  17   7.763 -11.033  -4.553
  170    H    ARG  18           H        ARG  18  -0.232 -11.596  -9.388
  171    HA   ARG  18           HA       ARG  18  -1.542 -14.101  -8.527
  172   1HB   ARG  18          1HB       ARG  18  -2.548 -11.707 -10.116
  173   2HB   ARG  18          2HB       ARG  18  -3.423 -13.243  -9.999
  174   1HG   ARG  18          1HG       ARG  18  -3.256 -13.078  -7.483
  175   2HG   ARG  18          2HG       ARG  18  -2.677 -11.418  -7.684
  176   1HD   ARG  18          1HD       ARG  18  -4.820 -10.659  -8.126
  177   2HD   ARG  18          2HD       ARG  18  -5.119 -11.950  -9.274
  178    HE   ARG  18           HE       ARG  18  -6.186 -13.202  -7.722
  179   1HH1  ARG  18          1HH2      ARG  18  -4.365 -10.689  -6.074
  180   2HH1  ARG  18          2HH2      ARG  18  -5.011 -11.023  -4.492
  181   1HH2  ARG  18          1HH1      ARG  18  -7.011 -13.728  -5.658
  182   2HH2  ARG  18          2HH1      ARG  18  -6.540 -12.814  -4.251
  183    H    GLU  19           H        GLU  19  -0.547 -12.557 -11.502
  184    HA   GLU  19           HA       GLU  19  -1.147 -14.588 -13.345
  185   1HB   GLU  19          1HB       GLU  19  -0.278 -12.273 -13.811
  186   2HB   GLU  19          2HB       GLU  19   1.345 -12.861 -13.415
  187   1HG   GLU  19          1HG       GLU  19   1.375 -14.355 -15.271
  188   2HG   GLU  19          2HG       GLU  19  -0.361 -14.152 -15.559
  189    H    ALA  20           H        ALA  20   1.784 -14.205 -11.271
  190    HA   ALA  20           HA       ALA  20   2.860 -16.714 -12.263
  191   1HB   ALA  20          1HB       ALA  20   4.323 -14.860 -11.993
  192   2HB   ALA  20          2HB       ALA  20   3.796 -14.624 -10.351
  193   3HB   ALA  20          3HB       ALA  20   4.792 -16.049 -10.769
  194    H    LEU  21           H        LEU  21   1.060 -15.790  -9.350
  195    HA   LEU  21           HA       LEU  21   1.613 -17.861  -7.626
  196   1HB   LEU  21          1HB       LEU  21   0.144 -16.121  -6.944
  197   2HB   LEU  21          2HB       LEU  21  -0.980 -16.456  -8.268
  198    HG   LEU  21           HG       LEU  21  -1.690 -18.539  -7.181
  199   1HD1  LEU  21          1HD1      LEU  21   0.468 -18.941  -5.817
  200   2HD1  LEU  21          2HD1      LEU  21  -0.110 -17.662  -4.728
  201   3HD1  LEU  21          3HD1      LEU  21  -1.058 -19.125  -4.932
  202   1HD2  LEU  21          1HD2      LEU  21  -1.786 -16.104  -5.341
  203   2HD2  LEU  21          2HD2      LEU  21  -2.852 -16.376  -6.731
  204   3HD2  LEU  21          3HD2      LEU  21  -2.917 -17.474  -5.343
  205    H    GLU  22           H        GLU  22  -0.622 -18.030 -10.405
  206    HA   GLU  22           HA       GLU  22  -1.536 -20.698  -9.776
  207   1HB   GLU  22          1HB       GLU  22  -1.649 -19.015 -12.323
  208   2HB   GLU  22          2HB       GLU  22  -2.340 -20.639 -12.204
  209   1HG   GLU  22          1HG       GLU  22  -3.129 -18.347 -10.349
  210   2HG   GLU  22          2HG       GLU  22  -4.005 -18.803 -11.816
  211    H    TYR  23           H        TYR  23   0.881 -19.389 -12.057
  212    HA   TYR  23           HA       TYR  23   1.596 -21.917 -13.173
  213   1HB   TYR  23          1HB       TYR  23   2.066 -19.446 -13.922
  214   2HB   TYR  23          2HB       TYR  23   3.498 -19.577 -12.912
  215    HD1  TYR  23           HD1      TYR  23   1.674 -20.941 -15.853
  216    HD2  TYR  23           HD2      TYR  23   5.446 -20.764 -13.777
  217    HE1  TYR  23           HE1      TYR  23   2.831 -21.628 -17.916
  218    HE2  TYR  23           HE2      TYR  23   6.608 -21.466 -15.847
  219    HH   TYR  23           HH       TYR  23   4.859 -22.144 -18.888
  220    H    VAL  24           H        VAL  24   2.600 -20.155 -10.290
  221    HA   VAL  24           HA       VAL  24   4.848 -21.942  -9.726
  222    HB   VAL  24           HB       VAL  24   3.651 -19.583  -8.194
  223   1HG1  VAL  24          1HG1      VAL  24   6.152 -21.291  -7.696
  224   2HG1  VAL  24          2HG1      VAL  24   5.890 -19.699  -6.969
  225   3HG1  VAL  24          3HG1      VAL  24   4.797 -21.036  -6.581
  226   1HG2  VAL  24          1HG2      VAL  24   6.281 -19.915  -9.756
  227   2HG2  VAL  24          2HG2      VAL  24   4.865 -19.117 -10.432
  228   3HG2  VAL  24          3HG2      VAL  24   5.667 -18.425  -9.016
  229    H    LYS  25           H        LYS  25   1.453 -21.756  -8.780
  230    HA   LYS  25           HA       LYS  25   0.164 -23.069  -7.481
  231   1HB   LYS  25          1HB       LYS  25   2.152 -24.961  -8.675
  232   2HB   LYS  25          2HB       LYS  25   1.233 -25.591  -7.316
  233   1HG   LYS  25          1HG       LYS  25  -0.883 -24.982  -8.394
  234   2HG   LYS  25          2HG       LYS  25   0.008 -24.393  -9.813
  235   1HD   LYS  25          1HD       LYS  25   0.929 -26.605 -10.233
  236   2HD   LYS  25          2HD       LYS  25   0.261 -27.231  -8.712
  237   1HE   LYS  25          1HE       LYS  25  -2.050 -26.811  -9.548
  238   2HE   LYS  25          2HE       LYS  25  -1.383 -26.220 -11.082
  239   1HZ   LYS  25          1HZ       LYS  25  -0.430 -28.383 -11.423
  240   2HZ   LYS  25          2HZ       LYS  25  -1.028 -28.926  -9.986
  241   3HZ   LYS  25          3HZ       LYS  25  -2.058 -28.507 -11.202
  242    H    LEU  26           H        LEU  26   1.511 -21.358  -5.957
  243    HA   LEU  26           HA       LEU  26   2.247 -22.948  -3.512
  244   1HB   LEU  26          1HB       LEU  26   4.236 -21.989  -4.402
  245   2HB   LEU  26          2HB       LEU  26   3.442 -20.426  -4.614
  246    HG   LEU  26           HG       LEU  26   3.203 -20.223  -2.132
  247   1HD1  LEU  26          1HD1      LEU  26   3.287 -22.509  -1.335
  248   2HD1  LEU  26          2HD1      LEU  26   4.869 -22.772  -2.097
  249   3HD1  LEU  26          3HD1      LEU  26   4.716 -21.678  -0.715
  250   1HD2  LEU  26          1HD2      LEU  26   6.084 -20.599  -2.953
  251   2HD2  LEU  26          2HD2      LEU  26   5.083 -19.208  -3.420
  252   3HD2  LEU  26          3HD2      LEU  26   5.390 -19.516  -1.721
  253    HA   PRO  27           HA       PRO  27  -1.439 -20.469  -2.372
  254   1HB   PRO  27          1HB       PRO  27  -1.792 -21.425   0.212
  255   2HB   PRO  27          2HB       PRO  27  -2.420 -22.192  -1.272
  256   1HG   PRO  27          1HG       PRO  27   0.126 -22.861   0.220
  257   2HG   PRO  27          2HG       PRO  27  -1.109 -23.991  -0.406
  258   1HD   PRO  27          1HD       PRO  27   1.161 -23.543  -1.763
  259   2HD   PRO  27          2HD       PRO  27  -0.374 -23.656  -2.665
  260    H    VAL  28           H        VAL  28   1.524 -20.806  -0.354
  261    HA   VAL  28           HA       VAL  28   1.213 -18.562   1.302
  262    HB   VAL  28           HB       VAL  28   3.674 -19.713   0.061
  263   1HG1  VAL  28          1HG1      VAL  28   4.356 -17.508   0.474
  264   2HG1  VAL  28          2HG1      VAL  28   3.350 -17.364   1.944
  265   3HG1  VAL  28          3HG1      VAL  28   4.805 -18.334   1.968
  266   1HG2  VAL  28          1HG2      VAL  28   2.732 -19.727   2.945
  267   2HG2  VAL  28          2HG2      VAL  28   2.536 -21.101   1.819
  268   3HG2  VAL  28          3HG2      VAL  28   4.157 -20.546   2.283
  269    H    LEU  29           H        LEU  29   1.773 -18.634  -2.178
  270    HA   LEU  29           HA       LEU  29   3.091 -16.073  -2.335
  271   1HB   LEU  29          1HB       LEU  29   2.489 -18.170  -4.199
  272   2HB   LEU  29          2HB       LEU  29   1.812 -16.668  -4.828
  273    HG   LEU  29           HG       LEU  29   4.671 -16.853  -3.855
  274   1HD1  LEU  29          1HD1      LEU  29   4.301 -18.524  -5.659
  275   2HD1  LEU  29          2HD1      LEU  29   3.638 -17.251  -6.697
  276   3HD1  LEU  29          3HD1      LEU  29   5.333 -17.189  -6.189
  277   1HD2  LEU  29          1HD2      LEU  29   3.244 -14.977  -5.803
  278   2HD2  LEU  29          2HD2      LEU  29   3.676 -14.559  -4.132
  279   3HD2  LEU  29          3HD2      LEU  29   4.950 -14.892  -5.319
  280    H    ALA  30           H        ALA  30  -0.339 -17.201  -2.019
  281    HA   ALA  30           HA       ALA  30  -1.275 -14.830  -3.177
  282   1HB   ALA  30          1HB       ALA  30  -2.582 -16.958  -3.157
  283   2HB   ALA  30          2HB       ALA  30  -2.718 -16.854  -1.394
  284   3HB   ALA  30          3HB       ALA  30  -3.491 -15.624  -2.415
  285    H    LYS  31           H        LYS  31  -0.348 -16.086  -0.027
  286    HA   LYS  31           HA       LYS  31  -1.803 -14.075   1.603
  287   1HB   LYS  31          1HB       LYS  31   0.240 -16.249   2.198
  288   2HB   LYS  31          2HB       LYS  31  -0.403 -15.173   3.449
  289   1HG   LYS  31          1HG       LYS  31  -2.564 -15.996   3.291
  290   2HG   LYS  31          2HG       LYS  31  -2.386 -16.544   1.623
  291   1HD   LYS  31          1HD       LYS  31  -1.022 -18.420   2.257
  292   2HD   LYS  31          2HD       LYS  31  -0.972 -17.892   3.956
  293   1HE   LYS  31          1HE       LYS  31  -3.390 -18.207   4.178
  294   2HE   LYS  31          2HE       LYS  31  -3.556 -18.539   2.444
  295   1HZ   LYS  31          1HZ       LYS  31  -2.277 -20.508   2.731
  296   2HZ   LYS  31          2HZ       LYS  31  -2.062 -20.208   4.339
  297   3HZ   LYS  31          3HZ       LYS  31  -3.569 -20.524   3.752
  298    H    ILE  32           H        ILE  32   1.245 -14.679   0.488
  299    HA   ILE  32           HA       ILE  32   2.967 -12.550   1.474
  300    HB   ILE  32           HB       ILE  32   3.035 -14.370  -0.938
  301   1HG1  ILE  32          1HG1      ILE  32   4.993 -13.769   1.320
  302   2HG1  ILE  32          2HG1      ILE  32   3.912 -15.162   1.197
  303   1HG2  ILE  32          1HG2      ILE  32   3.788 -12.169  -1.903
  304   2HG2  ILE  32          2HG2      ILE  32   5.064 -12.129  -0.677
  305   3HG2  ILE  32          3HG2      ILE  32   5.009 -13.402  -1.898
  306   1HD1  ILE  32          1HD1      ILE  32   5.164 -15.764  -0.978
  307   2HD1  ILE  32          2HD1      ILE  32   6.360 -14.528  -0.509
  308   3HD1  ILE  32          3HD1      ILE  32   6.058 -15.905   0.542
  309    H    LEU  33           H        LEU  33   1.175 -12.979  -1.655
  310    HA   LEU  33           HA       LEU  33   1.733 -10.256  -2.316
  311   1HB   LEU  33          1HB       LEU  33   0.777 -10.805  -4.376
  312   2HB   LEU  33          2HB       LEU  33   1.321 -12.366  -3.769
  313    HG   LEU  33           HG       LEU  33  -0.984 -12.787  -3.030
  314   1HD1  LEU  33          1HD1      LEU  33  -2.302 -10.963  -2.895
  315   2HD1  LEU  33          2HD1      LEU  33  -1.347 -10.058  -4.097
  316   3HD1  LEU  33          3HD1      LEU  33  -2.546 -11.264  -4.620
  317   1HD2  LEU  33          1HD2      LEU  33  -0.521 -12.192  -5.966
  318   2HD2  LEU  33          2HD2      LEU  33   0.099 -13.625  -5.114
  319   3HD2  LEU  33          3HD2      LEU  33  -1.648 -13.404  -5.307
  320    H    GLU  34           H        GLU  34  -0.978 -11.681  -0.606
  321    HA   GLU  34           HA       GLU  34  -2.576  -9.335  -0.569
  322   1HB   GLU  34          1HB       GLU  34  -3.047 -11.762   0.246
  323   2HB   GLU  34          2HB       GLU  34  -2.308 -11.268   1.762
  324   1HG   GLU  34          1HG       GLU  34  -3.993  -9.474   2.001
  325   2HG   GLU  34          2HG       GLU  34  -4.689  -9.903   0.427
  326    H    ASP  35           H        ASP  35  -0.039 -10.507   1.627
  327    HA   ASP  35           HA       ASP  35  -0.085  -8.351   3.459
  328   1HB   ASP  35          1HB       ASP  35   1.125 -10.563   3.749
  329   2HB   ASP  35          2HB       ASP  35   2.373  -9.951   2.655
  330    H    GLU  36           H        GLU  36   1.944  -8.833   0.528
  331    HA   GLU  36           HA       GLU  36   3.231  -6.312   0.560
  332   1HB   GLU  36          1HB       GLU  36   2.381  -7.949  -1.856
  333   2HB   GLU  36          2HB       GLU  36   3.562  -6.628  -1.844
  334   1HG   GLU  36          1HG       GLU  36   3.935  -9.193  -0.227
  335   2HG   GLU  36          2HG       GLU  36   4.556  -8.939  -1.851
  336    H    GLU  37           H        GLU  37   0.083  -7.259  -1.066
  337    HA   GLU  37           HA       GLU  37  -0.675  -4.824  -2.001
  338   1HB   GLU  37          1HB       GLU  37  -1.862  -7.299  -1.677
  339   2HB   GLU  37          2HB       GLU  37  -2.840  -6.342  -0.584
  340   1HG   GLU  37          1HG       GLU  37  -2.259  -5.369  -3.396
  341   2HG   GLU  37          2HG       GLU  37  -3.358  -6.717  -3.123
  342    H    LYS  38           H        LYS  38  -1.113  -5.962   1.374
  343    HA   LYS  38           HA       LYS  38  -2.364  -3.566   2.319
  344   1HB   LYS  38          1HB       LYS  38  -2.223  -5.906   3.406
  345   2HB   LYS  38          2HB       LYS  38  -0.559  -5.520   3.799
  346   1HG   LYS  38          1HG       LYS  38  -1.459  -5.030   5.769
  347   2HG   LYS  38          2HG       LYS  38  -1.590  -3.424   5.063
  348   1HD   LYS  38          1HD       LYS  38  -3.851  -5.496   4.990
  349   2HD   LYS  38          2HD       LYS  38  -3.605  -4.407   6.357
  350   1HE   LYS  38          1HE       LYS  38  -3.864  -2.431   4.870
  351   2HE   LYS  38          2HE       LYS  38  -4.183  -3.505   3.500
  352   1HZ   LYS  38          1HZ       LYS  38  -6.083  -4.327   4.609
  353   2HZ   LYS  38          2HZ       LYS  38  -5.797  -3.389   5.936
  354   3HZ   LYS  38          3HZ       LYS  38  -6.162  -2.685   4.490
  355    H    HIS  39           H        HIS  39   1.086  -4.526   2.250
  356    HA   HIS  39           HA       HIS  39   2.060  -2.098   3.393
  357   1HB   HIS  39          1HB       HIS  39   3.249  -4.284   1.689
  358   2HB   HIS  39          2HB       HIS  39   4.123  -2.784   1.866
  359    HD1  HIS  39           HD1      HIS  39   4.621  -2.050   4.518
  360    HD2  HIS  39           HD2      HIS  39   3.357  -5.984   3.758
  361    HE1  HIS  39           HE1      HIS  39   5.066  -3.375   6.668
  362    HE2  HIS  39           HE2      HIS  39   4.341  -5.798   6.161
  363    H    ILE  40           H        ILE  40   1.172  -2.876   0.047
  364    HA   ILE  40           HA       ILE  40   2.225  -0.416  -1.061
  365    HB   ILE  40           HB       ILE  40   0.379  -2.511  -2.221
  366   1HG1  ILE  40          1HG1      ILE  40   3.273  -2.119  -3.007
  367   2HG1  ILE  40          2HG1      ILE  40   2.962  -3.023  -1.552
  368   1HG2  ILE  40          1HG2      ILE  40   0.209  -0.394  -3.535
  369   2HG2  ILE  40          2HG2      ILE  40   1.979  -0.311  -3.614
  370   3HG2  ILE  40          3HG2      ILE  40   1.098  -1.604  -4.445
  371   1HD1  ILE  40          1HD1      ILE  40   1.535  -4.588  -2.739
  372   2HD1  ILE  40          2HD1      ILE  40   1.738  -3.699  -4.241
  373   3HD1  ILE  40          3HD1      ILE  40   3.147  -4.484  -3.478
  374    H    GLU  41           H        GLU  41  -0.903  -1.575   0.148
  375    HA   GLU  41           HA       GLU  41  -2.646   0.392  -0.785
  376   1HB   GLU  41          1HB       GLU  41  -3.268  -1.747   0.386
  377   2HB   GLU  41          2HB       GLU  41  -2.649  -1.062   1.892
  378   1HG   GLU  41          1HG       GLU  41  -4.470   0.865   0.852
  379   2HG   GLU  41          2HG       GLU  41  -5.223  -0.716   0.615
  380    H    TRP  42           H        TRP  42  -0.451   0.243   2.067
  381    HA   TRP  42           HA       TRP  42  -1.062   2.591   3.342
  382   1HB   TRP  42          1HB       TRP  42   0.740   0.739   3.712
  383   2HB   TRP  42          2HB       TRP  42   1.790   1.782   2.769
  384    HD1  TRP  42           HD1      TRP  42   0.008   1.606   6.104
  385    HE1  TRP  42           HE1      TRP  42   0.936   3.426   7.678
  386    HE3  TRP  42           HE3      TRP  42   2.772   4.113   2.733
  387    HZ2  TRP  42           HZ2      TRP  42   2.779   5.699   7.453
  388    HZ3  TRP  42           HZ3      TRP  42   4.043   6.195   3.367
  389    HH2  TRP  42           HH2      TRP  42   4.059   6.952   5.740
  390    H    LEU  43           H        LEU  43   0.714   2.203   0.300
  391    HA   LEU  43           HA       LEU  43   1.383   5.064   0.114
  392   1HB   LEU  43          1HB       LEU  43   1.827   2.857  -1.910
  393   2HB   LEU  43          2HB       LEU  43   2.359   4.543  -1.999
  394    HG   LEU  43           HG       LEU  43   3.427   3.812   0.442
  395   1HD1  LEU  43          1HD1      LEU  43   2.759   1.452   0.103
  396   2HD1  LEU  43          2HD1      LEU  43   3.626   1.413  -1.445
  397   3HD1  LEU  43          3HD1      LEU  43   4.523   1.603   0.076
  398   1HD2  LEU  43          1HD2      LEU  43   4.542   3.549  -2.347
  399   2HD2  LEU  43          2HD2      LEU  43   4.644   4.999  -1.337
  400   3HD2  LEU  43          3HD2      LEU  43   5.574   3.546  -0.898
  401    H    GLU  44           H        GLU  44  -0.908   2.708  -1.342
  402    HA   GLU  44           HA       GLU  44  -2.206   4.860  -2.924
  403   1HB   GLU  44          1HB       GLU  44  -3.051   1.974  -2.457
  404   2HB   GLU  44          2HB       GLU  44  -3.863   3.146  -3.492
  405   1HG   GLU  44          1HG       GLU  44  -1.232   3.334  -4.334
  406   2HG   GLU  44          2HG       GLU  44  -1.397   1.602  -4.020
  407    H    THR  45           H        THR  45  -1.954   5.438  -0.171
  408    HA   THR  45           HA       THR  45  -4.701   6.203   0.333
  409    HB   THR  45           HB       THR  45  -4.086   3.739   1.204
  410    HG1  THR  45           HG1      THR  45  -6.119   4.617   1.231
  411   1HG2  THR  45          1HG2      THR  45  -2.399   4.378   2.744
  412   2HG2  THR  45          2HG2      THR  45  -3.576   5.300   3.702
  413   3HG2  THR  45          3HG2      THR  45  -3.737   3.529   3.503
  414    H    ILE  46           H        ILE  46  -1.333   6.055   1.345
  415    HA   ILE  46           HA       ILE  46  -1.425   8.157   3.172
  416    HB   ILE  46           HB       ILE  46   0.594   6.801   2.649
  417   1HG1  ILE  46          1HG1      ILE  46   2.252   8.646   3.037
  418   2HG1  ILE  46          2HG1      ILE  46   0.915   9.804   2.916
  419   1HG2  ILE  46          1HG2      ILE  46   0.566   7.332   0.123
  420   2HG2  ILE  46          2HG2      ILE  46   1.375   8.840   0.578
  421   3HG2  ILE  46          3HG2      ILE  46   2.124   7.286   0.971
  422   1HD1  ILE  46          1HD1      ILE  46  -0.193   8.739   4.832
  423   2HD1  ILE  46          2HD1      ILE  46   0.991   7.412   4.808
  424   3HD1  ILE  46          3HD1      ILE  46   1.503   9.058   5.249
  425    H    LEU  47           H        LEU  47  -2.851   9.693   2.757
  426    HA   LEU  47           HA       LEU  47  -3.705  11.675   2.148
  427   1HB   LEU  47          1HB       LEU  47  -1.119  12.018   0.605
  428   2HB   LEU  47          2HB       LEU  47  -2.496  12.995   0.170
  429    HG   LEU  47           HG       LEU  47  -0.918  14.069   1.712
  430   1HD1  LEU  47          1HD1      LEU  47  -3.266  14.822   1.517
  431   2HD1  LEU  47          2HD1      LEU  47  -3.713  13.790   2.891
  432   3HD1  LEU  47          3HD1      LEU  47  -2.575  15.127   3.118
  433   1HD2  LEU  47          1HD2      LEU  47  -1.970  12.172   3.850
  434   2HD2  LEU  47          2HD2      LEU  47  -0.351  12.101   3.115
  435   3HD2  LEU  47          3HD2      LEU  47  -0.835  13.517   4.068
  436    H    GLY  48           H        GLY  48  -4.851  12.666   0.228
  437   1HA   GLY  48          1HA       GLY  48  -5.293  11.102  -2.114
  438   2HA   GLY  48          2HA       GLY  48  -6.525  10.756  -0.872
  439   1HN   NH2  49          1HN       NH2  49  -7.513  11.934  -3.106
  440   2HN   NH2  49          2HN       NH2  49  -7.837  13.667  -2.833
  441   1H    ACE   0          H1        ACE   0  13.426 -18.555 -14.979
  442   2H    ACE   0          H2        ACE   0  12.209 -19.169 -16.120
  443   3H    ACE   0          H3        ACE   0  13.650 -18.319 -16.724
  444    H    ASP   1           H        ASP   1  11.333 -17.394 -17.641
  445    HA   ASP   1           HA       ASP   1  11.593 -14.720 -17.278
  446   1HB   ASP   1          1HB       ASP   1  10.427 -15.771 -19.181
  447   2HB   ASP   1          2HB       ASP   1   9.028 -16.120 -18.146
  448    H    TYR   2           H        TYR   2   8.785 -16.495 -15.891
  449    HA   TYR   2           HA       TYR   2   7.512 -14.752 -14.201
  450   1HB   TYR   2          1HB       TYR   2   8.485 -17.629 -13.844
  451   2HB   TYR   2          2HB       TYR   2   7.471 -16.801 -12.689
  452    HD1  TYR   2           HD1      TYR   2   7.594 -18.084 -16.154
  453    HD2  TYR   2           HD2      TYR   2   5.144 -16.586 -12.986
  454    HE1  TYR   2           HE1      TYR   2   5.560 -18.807 -17.373
  455    HE2  TYR   2           HE2      TYR   2   3.092 -17.203 -14.273
  456    HH   TYR   2           HH       TYR   2   3.282 -18.490 -17.596
  457    H    LEU   3           H        LEU   3  10.544 -16.539 -13.412
  458    HA   LEU   3           HA       LEU   3  10.631 -15.301 -10.835
  459   1HB   LEU   3          1HB       LEU   3  12.925 -16.647 -12.369
  460   2HB   LEU   3          2HB       LEU   3  12.908 -16.313 -10.639
  461    HG   LEU   3           HG       LEU   3  11.041 -18.269 -12.065
  462   1HD1  LEU   3          1HD1      LEU   3  13.396 -19.008 -12.081
  463   2HD1  LEU   3          2HD1      LEU   3  13.497 -18.755 -10.325
  464   3HD1  LEU   3          3HD1      LEU   3  12.423 -20.004 -10.987
  465   1HD2  LEU   3          1HD2      LEU   3  11.493 -17.696  -9.096
  466   2HD2  LEU   3          2HD2      LEU   3  10.003 -17.375 -10.013
  467   3HD2  LEU   3          3HD2      LEU   3  10.533 -19.040  -9.746
  468    H    ARG   4           H        ARG   4  12.431 -14.698 -13.839
  469    HA   ARG   4           HA       ARG   4  13.839 -12.440 -12.770
  470   1HB   ARG   4          1HB       ARG   4  12.988 -13.008 -15.637
  471   2HB   ARG   4          2HB       ARG   4  14.094 -11.730 -15.105
  472   1HG   ARG   4          1HG       ARG   4  15.497 -13.567 -13.983
  473   2HG   ARG   4          2HG       ARG   4  14.512 -14.739 -14.876
  474   1HD   ARG   4          1HD       ARG   4  15.204 -13.659 -17.012
  475   2HD   ARG   4          2HD       ARG   4  16.163 -12.479 -16.081
  476    HE   ARG   4           HE       ARG   4  16.873 -15.188 -15.408
  477   1HH1  ARG   4          1HH2      ARG   4  17.310 -12.746 -17.907
  478   2HH1  ARG   4          2HH2      ARG   4  18.883 -13.307 -18.402
  479   1HH2  ARG   4          1HH1      ARG   4  18.899 -15.977 -16.049
  480   2HH2  ARG   4          2HH1      ARG   4  19.801 -15.218 -17.329
  481    H    GLU   5           H        GLU   5  10.444 -12.831 -13.493
  482    HA   GLU   5           HA       GLU   5  10.062  -9.928 -14.030
  483   1HB   GLU   5          1HB       GLU   5   8.139 -12.279 -13.882
  484   2HB   GLU   5          2HB       GLU   5   7.598 -10.605 -13.967
  485   1HG   GLU   5          1HG       GLU   5   8.684 -10.248 -16.087
  486   2HG   GLU   5          2HG       GLU   5   9.513 -11.801 -16.010
  487    H    LEU   6           H        LEU   6   8.735 -12.269 -11.648
  488    HA   LEU   6           HA       LEU   6   8.008 -10.278  -9.724
  489   1HB   LEU   6          1HB       LEU   6   8.458 -13.260  -9.523
  490   2HB   LEU   6          2HB       LEU   6   7.883 -12.244  -8.199
  491    HG   LEU   6           HG       LEU   6   5.715 -11.818  -9.314
  492   1HD1  LEU   6          1HD1      LEU   6   6.445 -11.783 -11.685
  493   2HD1  LEU   6          2HD1      LEU   6   6.695 -13.546 -11.605
  494   3HD1  LEU   6          3HD1      LEU   6   5.089 -12.840 -11.354
  495   1HD2  LEU   6          1HD2      LEU   6   6.434 -14.763  -9.525
  496   2HD2  LEU   6          2HD2      LEU   6   6.457 -13.938  -7.966
  497   3HD2  LEU   6          3HD2      LEU   6   4.973 -13.994  -8.853
  498    H    LEU   7           H        LEU   7  11.164 -11.224 -10.640
  499    HA   LEU   7           HA       LEU   7  12.223 -10.531  -8.024
  500   1HB   LEU   7          1HB       LEU   7  13.146 -12.581  -8.921
  501   2HB   LEU   7          2HB       LEU   7  13.623 -11.740 -10.414
  502    HG   LEU   7           HG       LEU   7  15.240 -10.375  -9.238
  503   1HD1  LEU   7          1HD1      LEU   7  14.232 -10.000  -7.068
  504   2HD1  LEU   7          2HD1      LEU   7  14.186 -11.739  -6.725
  505   3HD1  LEU   7          3HD1      LEU   7  15.740 -10.874  -6.806
  506   1HD2  LEU   7          1HD2      LEU   7  15.468 -13.300  -8.439
  507   2HD2  LEU   7          2HD2      LEU   7  15.847 -12.645 -10.044
  508   3HD2  LEU   7          3HD2      LEU   7  16.803 -12.137  -8.644
  509    H    LYS   8           H        LYS   8  12.962  -9.761 -11.520
  510    HA   LYS   8           HA       LYS   8  14.585  -7.625 -10.704
  511   1HB   LYS   8          1HB       LYS   8  13.379  -8.187 -13.436
  512   2HB   LYS   8          2HB       LYS   8  14.521  -6.892 -13.084
  513   1HG   LYS   8          1HG       LYS   8  16.197  -8.478 -12.278
  514   2HG   LYS   8          2HG       LYS   8  15.115  -9.846 -12.609
  515   1HD   LYS   8          1HD       LYS   8  15.151  -9.436 -14.971
  516   2HD   LYS   8          2HD       LYS   8  15.875  -7.833 -14.770
  517   1HE   LYS   8          1HE       LYS   8  17.968  -8.809 -13.941
  518   2HE   LYS   8          2HE       LYS   8  17.292 -10.444 -14.059
  519   1HZ   LYS   8          1HZ       LYS   8  17.112 -10.141 -16.408
  520   2HZ   LYS   8          2HZ       LYS   8  17.667  -8.592 -16.310
  521   3HZ   LYS   8          3HZ       LYS   8  18.663  -9.849 -15.934
  522    H    LEU   9           H        LEU   9  11.149  -7.835 -11.609
  523    HA   LEU   9           HA       LEU   9  10.782  -4.941 -11.775
  524   1HB   LEU   9          1HB       LEU   9   8.767  -7.157 -11.279
  525   2HB   LEU   9          2HB       LEU   9   8.377  -5.462 -11.529
  526    HG   LEU   9           HG       LEU   9   9.947  -6.964 -13.637
  527   1HD1  LEU   9          1HD1      LEU   9   7.864  -8.220 -13.266
  528   2HD1  LEU   9          2HD1      LEU   9   6.918  -6.726 -13.394
  529   3HD1  LEU   9          3HD1      LEU   9   7.805  -7.347 -14.804
  530   1HD2  LEU   9          1HD2      LEU   9   8.105  -4.520 -13.719
  531   2HD2  LEU   9          2HD2      LEU   9   9.875  -4.452 -13.760
  532   3HD2  LEU   9          3HD2      LEU   9   8.991  -5.201 -15.093
  533    H    GLU  10           H        GLU  10  10.900  -7.352  -9.178
  534    HA   GLU  10           HA       GLU  10   9.778  -5.486  -7.203
  535   1HB   GLU  10          1HB       GLU  10  11.389  -8.089  -6.991
  536   2HB   GLU  10          2HB       GLU  10  10.880  -7.116  -5.648
  537   1HG   GLU  10          1HG       GLU  10   8.952  -8.410  -7.627
  538   2HG   GLU  10          2HG       GLU  10   9.450  -9.131  -6.096
  539    H    LEU  11           H        LEU  11  13.019  -6.616  -8.115
  540    HA   LEU  11           HA       LEU  11  14.466  -5.264  -6.155
  541   1HB   LEU  11          1HB       LEU  11  15.248  -7.052  -7.872
  542   2HB   LEU  11          2HB       LEU  11  15.469  -5.706  -8.990
  543    HG   LEU  11           HG       LEU  11  16.877  -4.678  -6.949
  544   1HD1  LEU  11          1HD1      LEU  11  16.275  -6.538  -5.374
  545   2HD1  LEU  11          2HD1      LEU  11  17.086  -7.686  -6.455
  546   3HD1  LEU  11          3HD1      LEU  11  18.022  -6.417  -5.641
  547   1HD2  LEU  11          1HD2      LEU  11  17.907  -6.912  -8.743
  548   2HD2  LEU  11          2HD2      LEU  11  17.811  -5.183  -9.150
  549   3HD2  LEU  11          3HD2      LEU  11  18.911  -5.730  -7.873
  550    H    GLN  12           H        GLN  12  13.542  -4.175  -9.431
  551    HA   GLN  12           HA       GLN  12  14.857  -1.659  -9.455
  552   1HB   GLN  12          1HB       GLN  12  12.313  -2.716 -10.734
  553   2HB   GLN  12          2HB       GLN  12  12.879  -1.066 -11.022
  554   1HG   GLN  12          1HG       GLN  12  14.947  -1.784 -11.970
  555   2HG   GLN  12          2HG       GLN  12  14.699  -3.463 -11.469
  556   1HE2  GLN  12          2HE2      GLN  12  12.655  -4.487 -12.322
  557   2HE2  GLN  12          1HE2      GLN  12  12.228  -4.164 -14.006
  558    H    LEU  13           H        LEU  13  11.688  -2.595  -8.104
  559    HA   LEU  13           HA       LEU  13  10.791   0.030  -7.520
  560   1HB   LEU  13          1HB       LEU  13   9.980  -2.587  -6.197
  561   2HB   LEU  13          2HB       LEU  13   9.215  -1.030  -6.006
  562    HG   LEU  13           HG       LEU  13   8.783  -3.061  -7.967
  563   1HD1  LEU  13          1HD1      LEU  13   7.144  -1.701  -6.607
  564   2HD1  LEU  13          2HD1      LEU  13   7.461  -0.320  -7.650
  565   3HD1  LEU  13          3HD1      LEU  13   6.733  -1.807  -8.320
  566   1HD2  LEU  13          1HD2      LEU  13   9.282  -0.325  -9.249
  567   2HD2  LEU  13          2HD2      LEU  13  10.200  -1.795  -9.619
  568   3HD2  LEU  13          3HD2      LEU  13   8.505  -1.725 -10.020
  569    H    ILE  14           H        ILE  14  12.317  -2.523  -5.482
  570    HA   ILE  14           HA       ILE  14  12.492  -0.907  -3.124
  571    HB   ILE  14           HB       ILE  14  13.910  -3.348  -4.155
  572   1HG1  ILE  14          1HG1      ILE  14  12.981  -4.337  -2.154
  573   2HG1  ILE  14          2HG1      ILE  14  12.555  -2.758  -1.484
  574   1HG2  ILE  14          1HG2      ILE  14  15.810  -2.200  -3.132
  575   2HG2  ILE  14          2HG2      ILE  14  14.839  -1.840  -1.685
  576   3HG2  ILE  14          3HG2      ILE  14  15.260  -3.510  -2.087
  577   1HD1  ILE  14          1HD1      ILE  14  10.810  -2.447  -3.172
  578   2HD1  ILE  14          2HD1      ILE  14  11.334  -3.926  -4.014
  579   3HD1  ILE  14          3HD1      ILE  14  10.619  -4.010  -2.397
  580    H    LYS  15           H        LYS  15  14.662  -0.920  -6.012
  581    HA   LYS  15           HA       LYS  15  16.414   1.053  -4.885
  582   1HB   LYS  15          1HB       LYS  15  16.097  -0.519  -7.314
  583   2HB   LYS  15          2HB       LYS  15  16.194   1.160  -7.742
  584   1HG   LYS  15          1HG       LYS  15  18.416   0.129  -7.716
  585   2HG   LYS  15          2HG       LYS  15  18.335   1.313  -6.397
  586   1HD   LYS  15          1HD       LYS  15  17.872  -0.554  -4.778
  587   2HD   LYS  15          2HD       LYS  15  17.895  -1.714  -6.109
  588   1HE   LYS  15          1HE       LYS  15  20.259  -1.280  -6.519
  589   2HE   LYS  15          2HE       LYS  15  20.258   0.091  -5.392
  590   1HZ   LYS  15          1HZ       LYS  15  19.812  -1.418  -3.616
  591   2HZ   LYS  15          2HZ       LYS  15  19.780  -2.707  -4.641
  592   3HZ   LYS  15          3HZ       LYS  15  21.181  -1.871  -4.410
  593    H    GLN  16           H        GLN  16  13.399   1.288  -6.869
  594    HA   GLN  16           HA       GLN  16  13.621   4.173  -7.180
  595   1HB   GLN  16          1HB       GLN  16  11.377   2.176  -7.511
  596   2HB   GLN  16          2HB       GLN  16  11.000   3.889  -7.397
  597   1HG   GLN  16          1HG       GLN  16  11.139   3.329  -9.696
  598   2HG   GLN  16          2HG       GLN  16  12.470   4.412  -9.297
  599   1HE2  GLN  16          2HE2      GLN  16  14.670   3.373  -9.024
  600   2HE2  GLN  16          1HE2      GLN  16  14.980   1.898  -9.931
  601    H    TYR  17           H        TYR  17  12.285   2.103  -4.699
  602    HA   TYR  17           HA       TYR  17  10.866   4.063  -3.190
  603   1HB   TYR  17          1HB       TYR  17  11.895   1.263  -2.811
  604   2HB   TYR  17          2HB       TYR  17  11.749   2.188  -1.358
  605    HD1  TYR  17           HD1      TYR  17   9.745   2.277  -0.157
  606    HD2  TYR  17           HD2      TYR  17   9.665   1.236  -4.343
  607    HE1  TYR  17           HE1      TYR  17   7.475   1.334   0.115
  608    HE2  TYR  17           HE2      TYR  17   7.355   0.438  -4.086
  609    HH   TYR  17           HH       TYR  17   5.483   0.602  -2.645
  610    H    ARG  18           H        ARG  18  14.251   3.117  -3.334
  611    HA   ARG  18           HA       ARG  18  14.947   4.599  -0.883
  612   1HB   ARG  18          1HB       ARG  18  16.605   3.209  -3.019
  613   2HB   ARG  18          2HB       ARG  18  17.316   4.363  -1.880
  614   1HG   ARG  18          1HG       ARG  18  16.370   3.052   0.024
  615   2HG   ARG  18          2HG       ARG  18  15.838   1.813  -1.127
  616   1HD   ARG  18          1HD       ARG  18  18.166   1.343  -1.749
  617   2HD   ARG  18          2HD       ARG  18  18.724   2.797  -0.920
  618    HE   ARG  18           HE       ARG  18  18.758   1.755   1.076
  619   1HH1  ARG  18          1HH2      ARG  18  16.784  -0.174  -1.117
  620   2HH1  ARG  18          2HH2      ARG  18  16.661  -1.543  -0.049
  621   1HH2  ARG  18          1HH1      ARG  18  18.550   0.025   2.529
  622   2HH2  ARG  18          2HH1      ARG  18  17.668  -1.411   2.093
  623    H    GLU  19           H        GLU  19  15.119   4.996  -4.345
  624    HA   GLU  19           HA       GLU  19  16.278   7.558  -4.473
  625   1HB   GLU  19          1HB       GLU  19  15.514   5.849  -6.364
  626   2HB   GLU  19          2HB       GLU  19  14.027   6.812  -6.330
  627   1HG   GLU  19          1HG       GLU  19  15.563   8.867  -6.589
  628   2HG   GLU  19          2HG       GLU  19  16.862   7.726  -6.945
  629    H    ALA  20           H        ALA  20  12.833   6.605  -4.007
  630    HA   ALA  20           HA       ALA  20  12.013   9.460  -3.931
  631   1HB   ALA  20          1HB       ALA  20  10.657   7.571  -4.981
  632   2HB   ALA  20          2HB       ALA  20  10.290   7.038  -3.354
  633   3HB   ALA  20          3HB       ALA  20   9.767   8.641  -3.907
  634    H    LEU  21           H        LEU  21  12.785   6.982  -1.540
  635    HA   LEU  21           HA       LEU  21  11.616   7.747   0.719
  636   1HB   LEU  21          1HB       LEU  21  13.474   5.997   0.325
  637   2HB   LEU  21          2HB       LEU  21  14.633   7.271   0.642
  638    HG   LEU  21           HG       LEU  21  14.376   5.824   2.521
  639   1HD1  LEU  21          1HD1      LEU  21  14.633   8.279   3.071
  640   2HD1  LEU  21          2HD1      LEU  21  12.878   8.297   3.418
  641   3HD1  LEU  21          3HD1      LEU  21  13.952   7.250   4.344
  642   1HD2  LEU  21          1HD2      LEU  21  11.428   6.491   2.483
  643   2HD2  LEU  21          2HD2      LEU  21  12.162   4.902   2.146
  644   3HD2  LEU  21          3HD2      LEU  21  12.234   5.615   3.775
  645    H    GLU  22           H        GLU  22  14.504   9.407  -0.531
  646    HA   GLU  22           HA       GLU  22  14.787  11.131   1.770
  647   1HB   GLU  22          1HB       GLU  22  15.990  11.228  -1.036
  648   2HB   GLU  22          2HB       GLU  22  16.425  12.347   0.262
  649   1HG   GLU  22          1HG       GLU  22  16.728   9.313   0.482
  650   2HG   GLU  22          2HG       GLU  22  18.018  10.427   0.018
  651    H    TYR  23           H        TYR  23  13.177  11.405  -1.356
  652    HA   TYR  23           HA       TYR  23  12.612  14.262  -1.083
  653   1HB   TYR  23          1HB       TYR  23  12.091  12.076  -3.026
  654   2HB   TYR  23          2HB       TYR  23  10.756  13.175  -2.852
  655    HD1  TYR  23           HD1      TYR  23  14.465  13.069  -3.412
  656    HD2  TYR  23           HD2      TYR  23  10.822  15.313  -3.945
  657    HE1  TYR  23           HE1      TYR  23  15.627  14.580  -4.989
  658    HE2  TYR  23           HE2      TYR  23  11.993  16.830  -5.523
  659    HH   TYR  23           HH       TYR  23  15.407  16.347  -6.439
  660    H    VAL  24           H        VAL  24  11.058  11.179  -0.284
  661    HA   VAL  24           HA       VAL  24   8.552  12.521   0.429
  662    HB   VAL  24           HB       VAL  24   9.448   9.644   0.709
  663   1HG1  VAL  24          1HG1      VAL  24   7.620  10.043   2.286
  664   2HG1  VAL  24          2HG1      VAL  24   6.707  10.953   1.068
  665   3HG1  VAL  24          3HG1      VAL  24   6.952   9.208   0.881
  666   1HG2  VAL  24          1HG2      VAL  24   7.644  11.054  -1.310
  667   2HG2  VAL  24          2HG2      VAL  24   9.269  10.480  -1.662
  668   3HG2  VAL  24          3HG2      VAL  24   8.003   9.313  -1.281
  669    H    LYS  25           H        LYS  25  11.373  11.433   2.220
  670    HA   LYS  25           HA       LYS  25  11.921  11.399   4.409
  671   1HB   LYS  25          1HB       LYS  25  10.401  14.033   4.334
  672   2HB   LYS  25          2HB       LYS  25  11.367  13.461   5.698
  673   1HG   LYS  25          1HG       LYS  25  13.093  13.129   3.515
  674   2HG   LYS  25          2HG       LYS  25  12.282  14.648   3.159
  675   1HD   LYS  25          1HD       LYS  25  13.675  13.901   5.787
  676   2HD   LYS  25          2HD       LYS  25  14.401  14.876   4.501
  677   1HE   LYS  25          1HE       LYS  25  12.752  16.648   4.807
  678   2HE   LYS  25          2HE       LYS  25  11.844  15.686   5.984
  679   1HZ   LYS  25          1HZ       LYS  25  13.724  15.740   7.429
  680   2HZ   LYS  25          2HZ       LYS  25  14.599  16.624   6.346
  681   3HZ   LYS  25          3HZ       LYS  25  13.254  17.272   7.047
  682    H    LEU  26           H        LEU  26  10.290   9.495   4.312
  683    HA   LEU  26           HA       LEU  26   8.910   9.720   6.928
  684   1HB   LEU  26          1HB       LEU  26   7.646   9.159   4.366
  685   2HB   LEU  26          2HB       LEU  26   7.446   7.788   5.455
  686    HG   LEU  26           HG       LEU  26   6.799  10.609   6.366
  687   1HD1  LEU  26          1HD1      LEU  26   5.534  10.337   4.334
  688   2HD1  LEU  26          2HD1      LEU  26   5.060   8.689   4.767
  689   3HD1  LEU  26          3HD1      LEU  26   4.425  10.068   5.690
  690   1HD2  LEU  26          1HD2      LEU  26   5.250   9.374   7.876
  691   2HD2  LEU  26          2HD2      LEU  26   5.763   7.836   7.164
  692   3HD2  LEU  26          3HD2      LEU  26   6.909   8.808   8.099
  693    HA   PRO  27           HA       PRO  27  11.903   6.310   7.141
  694   1HB   PRO  27          1HB       PRO  27  11.381   5.412   9.696
  695   2HB   PRO  27          2HB       PRO  27  12.376   6.847   9.324
  696   1HG   PRO  27          1HG       PRO  27   9.442   6.778  10.074
  697   2HG   PRO  27          2HG       PRO  27  10.719   7.830  10.747
  698   1HD   PRO  27          1HD       PRO  27   9.058   8.717   8.835
  699   2HD   PRO  27          2HD       PRO  27  10.787   9.154   8.755
  700    H    VAL  28           H        VAL  28   8.423   6.122   7.828
  701    HA   VAL  28           HA       VAL  28   8.085   3.367   7.945
  702    HB   VAL  28           HB       VAL  28   6.223   5.341   6.681
  703   1HG1  VAL  28          1HG1      VAL  28   5.523   3.099   6.134
  704   2HG1  VAL  28          2HG1      VAL  28   5.847   2.522   7.783
  705   3HG1  VAL  28          3HG1      VAL  28   4.498   3.622   7.474
  706   1HG2  VAL  28          1HG2      VAL  28   6.450   4.385   9.570
  707   2HG2  VAL  28          2HG2      VAL  28   6.777   6.035   8.999
  708   3HG2  VAL  28          3HG2      VAL  28   5.137   5.391   8.927
  709    H    LEU  29           H        LEU  29   8.564   5.399   4.989
  710    HA   LEU  29           HA       LEU  29   7.923   3.401   3.076
  711   1HB   LEU  29          1HB       LEU  29   9.477   5.978   3.192
  712   2HB   LEU  29          2HB       LEU  29   9.799   4.845   1.883
  713    HG   LEU  29           HG       LEU  29   7.352   4.841   1.361
  714   1HD1  LEU  29          1HD1      LEU  29   6.482   5.758   3.496
  715   2HD1  LEU  29          2HD1      LEU  29   7.353   7.276   3.173
  716   3HD1  LEU  29          3HD1      LEU  29   6.022   6.778   2.116
  717   1HD2  LEU  29          1HD2      LEU  29   8.863   7.490   1.216
  718   2HD2  LEU  29          2HD2      LEU  29   9.082   6.137   0.101
  719   3HD2  LEU  29          3HD2      LEU  29   7.535   7.004   0.138
  720    H    ALA  30           H        ALA  30  10.970   4.240   4.860
  721    HA   ALA  30           HA       ALA  30  12.479   2.351   3.442
  722   1HB   ALA  30          1HB       ALA  30  13.626   4.108   4.697
  723   2HB   ALA  30          2HB       ALA  30  12.981   3.474   6.230
  724   3HB   ALA  30          3HB       ALA  30  14.133   2.522   5.283
  725    H    LYS  31           H        LYS  31  10.348   2.173   6.223
  726    HA   LYS  31           HA       LYS  31  11.242  -0.447   7.117
  727   1HB   LYS  31          1HB       LYS  31   9.865   1.396   8.404
  728   2HB   LYS  31          2HB       LYS  31   8.464   0.688   7.579
  729   1HG   LYS  31          1HG       LYS  31   9.246  -1.578   8.539
  730   2HG   LYS  31          2HG       LYS  31  10.385  -0.636   9.518
  731   1HD   LYS  31          1HD       LYS  31   8.309   0.740  10.295
  732   2HD   LYS  31          2HD       LYS  31   7.331  -0.481   9.469
  733   1HE   LYS  31          1HE       LYS  31   7.415  -1.098  11.789
  734   2HE   LYS  31          2HE       LYS  31   8.437  -2.252  10.916
  735   1HZ   LYS  31          1HZ       LYS  31  10.343  -0.960  11.604
  736   2HZ   LYS  31          2HZ       LYS  31   9.378   0.117  12.392
  737   3HZ   LYS  31          3HZ       LYS  31   9.473  -1.443  12.916
  738    H    ILE  32           H        ILE  32   8.973   0.766   4.765
  739    HA   ILE  32           HA       ILE  32   7.516  -1.759   4.473
  740    HB   ILE  32           HB       ILE  32   7.455   0.756   2.741
  741   1HG1  ILE  32          1HG1      ILE  32   5.231  -0.268   4.545
  742   2HG1  ILE  32          2HG1      ILE  32   6.440   0.826   5.177
  743   1HG2  ILE  32          1HG2      ILE  32   6.839  -1.152   1.389
  744   2HG2  ILE  32          2HG2      ILE  32   5.970  -1.898   2.735
  745   3HG2  ILE  32          3HG2      ILE  32   5.292  -0.481   1.921
  746   1HD1  ILE  32          1HD1      ILE  32   5.836   2.531   3.513
  747   2HD1  ILE  32          2HD1      ILE  32   4.662   1.436   2.764
  748   3HD1  ILE  32          3HD1      ILE  32   4.405   2.000   4.413
  749    H    LEU  33           H        LEU  33   9.969   0.170   2.689
  750    HA   LEU  33           HA       LEU  33  10.350  -1.757   0.559
  751   1HB   LEU  33          1HB       LEU  33  11.831  -0.288  -0.246
  752   2HB   LEU  33          2HB       LEU  33  10.942   0.759   0.857
  753    HG   LEU  33           HG       LEU  33  12.765   0.513   2.504
  754   1HD1  LEU  33          1HD1      LEU  33  13.980  -1.440   1.833
  755   2HD1  LEU  33          2HD1      LEU  33  14.092  -0.825   0.165
  756   3HD1  LEU  33          3HD1      LEU  33  14.981  -0.030   1.499
  757   1HD2  LEU  33          1HD2      LEU  33  13.498   1.545  -0.269
  758   2HD2  LEU  33          2HD2      LEU  33  12.416   2.416   0.843
  759   3HD2  LEU  33          3HD2      LEU  33  14.121   2.174   1.266
  760    H    GLU  34           H        GLU  34  11.794  -1.474   3.811
  761    HA   GLU  34           HA       GLU  34  13.588  -3.633   3.509
  762   1HB   GLU  34          1HB       GLU  34  13.315  -1.940   5.442
  763   2HB   GLU  34          2HB       GLU  34  12.050  -2.972   6.062
  764   1HG   GLU  34          1HG       GLU  34  14.895  -3.924   5.486
  765   2HG   GLU  34          2HG       GLU  34  14.363  -3.303   7.053
  766    H    ASP  35           H        ASP  35  10.274  -3.626   4.805
  767    HA   ASP  35           HA       ASP  35   9.953  -6.378   5.200
  768   1HB   ASP  35          1HB       ASP  35   8.348  -4.527   5.845
  769   2HB   ASP  35          2HB       ASP  35   7.748  -4.528   4.180
  770    H    GLU  36           H        GLU  36   9.099  -4.513   2.277
  771    HA   GLU  36           HA       GLU  36   8.369  -6.607   0.582
  772   1HB   GLU  36          1HB       GLU  36   9.811  -4.040  -0.125
  773   2HB   GLU  36          2HB       GLU  36   8.967  -5.094  -1.264
  774   1HG   GLU  36          1HG       GLU  36   7.422  -3.932   1.083
  775   2HG   GLU  36          2HG       GLU  36   7.813  -2.915  -0.308
  776    H    GLU  37           H        GLU  37  11.758  -5.181   1.050
  777    HA   GLU  37           HA       GLU  37  13.119  -6.745  -0.701
  778   1HB   GLU  37          1HB       GLU  37  13.730  -4.860   1.185
  779   2HB   GLU  37          2HB       GLU  37  14.362  -6.265   2.006
  780   1HG   GLU  37          1HG       GLU  37  14.960  -5.496  -0.903
  781   2HG   GLU  37          2HG       GLU  37  15.814  -4.871   0.502
  782    H    LYS  38           H        LYS  38  12.078  -7.667   2.598
  783    HA   LYS  38           HA       LYS  38  13.366 -10.241   2.533
  784   1HB   LYS  38          1HB       LYS  38  12.520  -9.003   4.570
  785   2HB   LYS  38          2HB       LYS  38  10.879  -9.378   4.047
  786   1HG   LYS  38          1HG       LYS  38  12.145 -11.888   3.943
  787   2HG   LYS  38          2HG       LYS  38  12.901 -11.129   5.344
  788   1HD   LYS  38          1HD       LYS  38  10.701 -10.756   6.369
  789   2HD   LYS  38          2HD       LYS  38   9.877 -11.287   4.886
  790   1HE   LYS  38          1HE       LYS  38  10.827 -13.551   5.113
  791   2HE   LYS  38          2HE       LYS  38  11.694 -13.065   6.581
  792   1HZ   LYS  38          1HZ       LYS  38   9.590 -12.657   7.618
  793   2HZ   LYS  38          2HZ       LYS  38   8.775 -13.068   6.246
  794   3HZ   LYS  38          3HZ       LYS  38   9.652 -14.206   7.056
  795    H    HIS  39           H        HIS  39  10.009  -9.167   1.754
  796    HA   HIS  39           HA       HIS  39   9.031 -11.767   1.040
  797   1HB   HIS  39          1HB       HIS  39   8.173  -8.964   0.322
  798   2HB   HIS  39          2HB       HIS  39   7.422 -10.371  -0.418
  799    HD1  HIS  39           HD1      HIS  39   5.247 -10.952   0.793
  800    HD2  HIS  39           HD2      HIS  39   8.252  -9.456   3.335
  801    HE1  HIS  39           HE1      HIS  39   4.306 -11.043   3.170
  802    HE2  HIS  39           HE2      HIS  39   6.091  -9.998   4.685
  803    H    ILE  40           H        ILE  40  11.015  -9.461  -0.753
  804    HA   ILE  40           HA       ILE  40  10.734 -10.877  -3.280
  805    HB   ILE  40           HB       ILE  40  12.696  -8.740  -2.413
  806   1HG1  ILE  40          1HG1      ILE  40  10.220  -8.421  -4.125
  807   2HG1  ILE  40          2HG1      ILE  40  10.035  -8.297  -2.430
  808   1HG2  ILE  40          1HG2      ILE  40  13.466  -9.964  -4.449
  809   2HG2  ILE  40          2HG2      ILE  40  11.873  -9.754  -5.192
  810   3HG2  ILE  40          3HG2      ILE  40  12.910  -8.352  -4.896
  811   1HD1  ILE  40          1HD1      ILE  40  11.533  -6.447  -2.197
  812   2HD1  ILE  40          2HD1      ILE  40  12.033  -6.524  -3.883
  813   3HD1  ILE  40          3HD1      ILE  40  10.359  -6.090  -3.461
  814    H    GLU  41           H        GLU  41  13.194 -10.686  -0.680
  815    HA   GLU  41           HA       GLU  41  15.096 -12.456  -1.627
  816   1HB   GLU  41          1HB       GLU  41  15.132 -11.052   0.475
  817   2HB   GLU  41          2HB       GLU  41  14.132 -12.261   1.268
  818   1HG   GLU  41          1HG       GLU  41  16.672 -13.180  -0.087
  819   2HG   GLU  41          2HG       GLU  41  16.798 -12.239   1.401
  820    H    TRP  42           H        TRP  42  11.926 -13.119  -0.171
  821    HA   TRP  42           HA       TRP  42  11.875 -15.790   0.305
  822   1HB   TRP  42          1HB       TRP  42  10.136 -13.806   0.374
  823   2HB   TRP  42          2HB       TRP  42   9.615 -14.509  -1.163
  824    HD1  TRP  42           HD1      TRP  42   9.181 -14.731   2.452
  825    HE1  TRP  42           HE1      TRP  42   7.543 -16.625   3.032
  826    HE3  TRP  42           HE3      TRP  42   9.232 -17.055  -2.007
  827    HZ2  TRP  42           HZ2      TRP  42   6.734 -19.135   1.788
  828    HZ3  TRP  42           HZ3      TRP  42   8.216 -19.361  -2.272
  829    HH2  TRP  42           HH2      TRP  42   7.098 -20.457  -0.343
  830    H    LEU  43           H        LEU  43  11.772 -14.101  -2.851
  831    HA   LEU  43           HA       LEU  43  11.267 -16.521  -4.430
  832   1HB   LEU  43          1HB       LEU  43  11.836 -13.613  -5.178
  833   2HB   LEU  43          2HB       LEU  43  11.602 -14.918  -6.328
  834    HG   LEU  43           HG       LEU  43   9.410 -15.236  -4.589
  835   1HD1  LEU  43          1HD1      LEU  43  10.002 -13.025  -3.598
  836   2HD1  LEU  43          2HD1      LEU  43   9.783 -12.255  -5.181
  837   3HD1  LEU  43          3HD1      LEU  43   8.407 -13.030  -4.359
  838   1HD2  LEU  43          1HD2      LEU  43   9.605 -13.633  -7.203
  839   2HD2  LEU  43          2HD2      LEU  43   9.391 -15.393  -7.096
  840   3HD2  LEU  43          3HD2      LEU  43   8.117 -14.311  -6.506
  841    H    GLU  44           H        GLU  44  14.016 -14.390  -3.609
  842    HA   GLU  44           HA       GLU  44  15.934 -15.972  -5.172
  843   1HB   GLU  44          1HB       GLU  44  16.244 -13.807  -3.065
  844   2HB   GLU  44          2HB       GLU  44  17.596 -14.513  -3.938
  845   1HG   GLU  44          1HG       GLU  44  15.366 -13.364  -5.600
  846   2HG   GLU  44          2HG       GLU  44  16.448 -12.254  -4.749
  847    H    THR  45           H        THR  45  14.268 -17.426  -3.092
  848    HA   THR  45           HA       THR  45  16.539 -18.881  -1.976
  849    HB   THR  45           HB       THR  45  15.823 -16.949  -0.418
  850    HG1  THR  45           HG1      THR  45  16.967 -18.051   0.918
  851   1HG2  THR  45          1HG2      THR  45  13.484 -17.265  -0.258
  852   2HG2  THR  45          2HG2      THR  45  13.686 -18.878   0.479
  853   3HG2  THR  45          3HG2      THR  45  14.242 -17.414   1.316
  854    H    ILE  46           H        ILE  46  13.016 -18.484  -1.880
  855    HA   ILE  46           HA       ILE  46  11.333 -19.913  -2.314
  856    HB   ILE  46           HB       ILE  46  12.134 -19.143  -4.443
  857   1HG1  ILE  46          1HG1      ILE  46  11.082 -20.561  -5.967
  858   2HG1  ILE  46          2HG1      ILE  46  11.245 -21.988  -4.948
  859   1HG2  ILE  46          1HG2      ILE  46  14.378 -19.958  -4.660
  860   2HG2  ILE  46          2HG2      ILE  46  13.837 -21.654  -4.604
  861   3HG2  ILE  46          3HG2      ILE  46  13.444 -20.619  -5.987
  862   1HD1  ILE  46          1HD1      ILE  46   9.650 -21.053  -3.337
  863   2HD1  ILE  46          2HD1      ILE  46   9.628 -19.505  -4.228
  864   3HD1  ILE  46          3HD1      ILE  46   8.952 -20.971  -4.966
  865    H    LEU  47           H        LEU  47  12.925 -20.987  -0.367
  866    HA   LEU  47           HA       LEU  47  14.091 -23.233  -0.184
  867   1HB   LEU  47          1HB       LEU  47  13.335 -22.003   1.770
  868   2HB   LEU  47          2HB       LEU  47  11.665 -22.512   1.500
  869    HG   LEU  47           HG       LEU  47  12.293 -24.875   1.999
  870   1HD1  LEU  47          1HD1      LEU  47  14.680 -24.855   1.368
  871   2HD1  LEU  47          2HD1      LEU  47  15.025 -23.674   2.650
  872   3HD1  LEU  47          3HD1      LEU  47  14.496 -25.318   3.062
  873   1HD2  LEU  47          1HD2      LEU  47  13.071 -22.860   4.139
  874   2HD2  LEU  47          2HD2      LEU  47  11.420 -23.390   3.750
  875   3HD2  LEU  47          3HD2      LEU  47  12.588 -24.549   4.408
  876    H    GLY  48           H        GLY  48  10.517 -23.411  -0.396
  877   1HA   GLY  48          1HA       GLY  48  10.625 -25.928  -1.873
  878   2HA   GLY  48          2HA       GLY  48  10.016 -26.093  -0.213
  879   1HN   NH2  49          1HN       NH2  49   9.722 -23.836  -3.032
  880   2HN   NH2  49          2HN       NH2  49   7.959 -23.604  -2.884
  Start of MODEL   11
    1   1H    ACE   0          H1        ACE   0  11.926   8.610  -5.850
    2   2H    ACE   0          H2        ACE   0  11.110   9.027  -7.362
    3   3H    ACE   0          H3        ACE   0  10.624   7.576  -6.482
    4    H    ASP   1           H        ASP   1   8.769   9.614  -4.025
    5    HA   ASP   1           HA       ASP   1   9.148   6.911  -4.989
    6   1HB   ASP   1          1HB       ASP   1  11.341   7.425  -3.897
    7   2HB   ASP   1          2HB       ASP   1  10.535   7.772  -2.380
    8    H    TYR   2           H        TYR   2   8.789   8.561  -1.927
    9    HA   TYR   2           HA       TYR   2   7.059   7.539  -0.382
   10   1HB   TYR   2          1HB       TYR   2   8.035   9.906  -0.531
   11   2HB   TYR   2          2HB       TYR   2   6.505  10.379  -1.263
   12    HD1  TYR   2           HD1      TYR   2   8.275  10.750   1.574
   13    HD2  TYR   2           HD2      TYR   2   4.399   9.213   0.425
   14    HE1  TYR   2           HE1      TYR   2   7.350  11.389   3.767
   15    HE2  TYR   2           HE2      TYR   2   3.493   9.884   2.592
   16    HH   TYR   2           HH       TYR   2   3.939  10.815   4.655
   17    H    LEU   3           H        LEU   3   5.787   9.158  -3.306
   18    HA   LEU   3           HA       LEU   3   3.498   7.350  -3.242
   19   1HB   LEU   3          1HB       LEU   3   3.282  10.336  -3.875
   20   2HB   LEU   3          2HB       LEU   3   1.953   9.183  -4.013
   21    HG   LEU   3           HG       LEU   3   3.338   9.871  -1.394
   22   1HD1  LEU   3          1HD1      LEU   3   2.245  11.847  -2.376
   23   2HD1  LEU   3          2HD1      LEU   3   0.718  10.935  -2.491
   24   3HD1  LEU   3          3HD1      LEU   3   1.450  11.269  -0.902
   25   1HD2  LEU   3          1HD2      LEU   3   0.680   8.471  -1.967
   26   2HD2  LEU   3          2HD2      LEU   3   2.141   7.657  -1.393
   27   3HD2  LEU   3          3HD2      LEU   3   1.332   8.843  -0.364
   28    H    ARG   4           H        ARG   4   5.741   9.308  -5.120
   29    HA   ARG   4           HA       ARG   4   4.572   8.828  -7.636
   30   1HB   ARG   4          1HB       ARG   4   7.547   8.976  -7.002
   31   2HB   ARG   4          2HB       ARG   4   6.768   9.185  -8.572
   32   1HG   ARG   4          1HG       ARG   4   5.324  11.010  -7.142
   33   2HG   ARG   4          2HG       ARG   4   6.833  11.056  -6.211
   34   1HD   ARG   4          1HD       ARG   4   6.530  11.448  -9.218
   35   2HD   ARG   4          2HD       ARG   4   6.762  12.747  -8.026
   36    HE   ARG   4           HE       ARG   4   8.910  11.145  -7.533
   37   1HH1  ARG   4          1HH2      ARG   4   7.639  12.773 -10.396
   38   2HH1  ARG   4          2HH2      ARG   4   9.188  12.955 -11.169
   39   1HH2  ARG   4          1HH1      ARG   4  10.924  11.355  -8.505
   40   2HH2  ARG   4          2HH1      ARG   4  11.123  12.125 -10.055
   41    H    GLU   5           H        GLU   5   6.163   6.593  -5.478
   42    HA   GLU   5           HA       GLU   5   6.006   4.477  -7.582
   43   1HB   GLU   5          1HB       GLU   5   7.842   4.603  -5.166
   44   2HB   GLU   5          2HB       GLU   5   7.649   3.249  -6.285
   45   1HG   GLU   5          1HG       GLU   5   8.330   4.696  -8.194
   46   2HG   GLU   5          2HG       GLU   5   8.598   6.045  -7.092
   47    H    LEU   6           H        LEU   6   4.903   5.594  -4.420
   48    HA   LEU   6           HA       LEU   6   3.604   2.988  -3.943
   49   1HB   LEU   6          1HB       LEU   6   4.040   5.187  -2.025
   50   2HB   LEU   6          2HB       LEU   6   3.098   3.730  -1.736
   51    HG   LEU   6           HG       LEU   6   6.018   3.825  -2.344
   52   1HD1  LEU   6          1HD1      LEU   6   5.455   4.506  -0.075
   53   2HD1  LEU   6          2HD1      LEU   6   4.337   3.134   0.104
   54   3HD1  LEU   6          3HD1      LEU   6   6.073   2.844   0.015
   55   1HD2  LEU   6          1HD2      LEU   6   4.205   1.420  -1.968
   56   2HD2  LEU   6          2HD2      LEU   6   5.249   1.761  -3.370
   57   3HD2  LEU   6          3HD2      LEU   6   5.971   1.347  -1.833
   58    H    LEU   7           H        LEU   7   2.588   4.867  -6.016
   59    HA   LEU   7           HA       LEU   7  -0.120   4.854  -5.044
   60   1HB   LEU   7          1HB       LEU   7   0.691   7.080  -4.309
   61   2HB   LEU   7          2HB       LEU   7   0.971   7.555  -5.984
   62    HG   LEU   7           HG       LEU   7  -1.763   6.595  -5.112
   63   1HD1  LEU   7          1HD1      LEU   7  -1.104   8.288  -3.463
   64   2HD1  LEU   7          2HD1      LEU   7  -0.663   9.417  -4.754
   65   3HD1  LEU   7          3HD1      LEU   7  -2.357   8.925  -4.530
   66   1HD2  LEU   7          1HD2      LEU   7  -0.849   8.672  -7.164
   67   2HD2  LEU   7          2HD2      LEU   7  -1.478   7.052  -7.553
   68   3HD2  LEU   7          3HD2      LEU   7  -2.530   8.249  -6.813
   69    H    LYS   8           H        LYS   8   1.517   6.461  -7.835
   70    HA   LYS   8           HA       LYS   8  -0.594   5.696  -9.505
   71   1HB   LYS   8          1HB       LYS   8   2.240   6.567 -10.172
   72   2HB   LYS   8          2HB       LYS   8   0.953   6.390 -11.384
   73   1HG   LYS   8          1HG       LYS   8  -0.447   8.046 -10.251
   74   2HG   LYS   8          2HG       LYS   8   0.683   8.134  -8.896
   75   1HD   LYS   8          1HD       LYS   8   2.449   8.892 -10.653
   76   2HD   LYS   8          2HD       LYS   8   1.045   9.213 -11.697
   77   1HE   LYS   8          1HE       LYS   8   0.064  10.633  -9.842
   78   2HE   LYS   8          2HE       LYS   8   1.509  10.310  -8.866
   79   1HZ   LYS   8          1HZ       LYS   8   2.811  11.363 -10.586
   80   2HZ   LYS   8          2HZ       LYS   8   1.438  11.743 -11.419
   81   3HZ   LYS   8          3HZ       LYS   8   1.699  12.383  -9.923
   82    H    LEU   9           H        LEU   9   2.606   4.315  -8.994
   83    HA   LEU   9           HA       LEU   9   2.346   2.187 -10.895
   84   1HB   LEU   9          1HB       LEU   9   4.168   2.338  -8.482
   85   2HB   LEU   9          2HB       LEU   9   4.294   1.197  -9.819
   86    HG   LEU   9           HG       LEU   9   4.687   4.213  -9.946
   87   1HD1  LEU   9          1HD1      LEU   9   6.529   2.788  -8.984
   88   2HD1  LEU   9          2HD1      LEU   9   6.595   1.899 -10.515
   89   3HD1  LEU   9          3HD1      LEU   9   7.000   3.630 -10.472
   90   1HD2  LEU   9          1HD2      LEU   9   4.699   2.165 -12.207
   91   2HD2  LEU   9          2HD2      LEU   9   3.651   3.597 -12.062
   92   3HD2  LEU   9          3HD2      LEU   9   5.383   3.800 -12.332
   93    H    GLU  10           H        GLU  10   1.459   2.569  -7.486
   94    HA   GLU  10           HA       GLU  10   0.763  -0.157  -6.960
   95   1HB   GLU  10          1HB       GLU  10  -0.361   2.480  -5.896
   96   2HB   GLU  10          2HB       GLU  10  -0.818   0.917  -5.348
   97   1HG   GLU  10          1HG       GLU  10   2.032   1.940  -5.245
   98   2HG   GLU  10          2HG       GLU  10   0.841   2.102  -3.921
   99    H    LEU  11           H        LEU  11  -1.146   2.646  -8.133
  100    HA   LEU  11           HA       LEU  11  -3.635   1.245  -8.034
  101   1HB   LEU  11          1HB       LEU  11  -3.116   3.775  -8.135
  102   2HB   LEU  11          2HB       LEU  11  -3.010   3.598  -9.888
  103    HG   LEU  11           HG       LEU  11  -5.439   2.964  -8.132
  104   1HD1  LEU  11          1HD1      LEU  11  -4.830   5.378  -8.209
  105   2HD1  LEU  11          2HD1      LEU  11  -4.909   5.328  -9.983
  106   3HD1  LEU  11          3HD1      LEU  11  -6.372   5.051  -9.010
  107   1HD2  LEU  11          1HD2      LEU  11  -5.115   2.931 -11.157
  108   2HD2  LEU  11          2HD2      LEU  11  -5.756   1.654 -10.088
  109   3HD2  LEU  11          3HD2      LEU  11  -6.687   3.117 -10.352
  110    H    GLN  12           H        GLN  12  -1.346   1.779 -10.771
  111    HA   GLN  12           HA       GLN  12  -3.025   0.499 -12.686
  112   1HB   GLN  12          1HB       GLN  12  -0.927   0.047 -13.977
  113   2HB   GLN  12          2HB       GLN  12  -1.158   1.748 -13.541
  114   1HG   GLN  12          1HG       GLN  12   0.502   1.715 -11.937
  115   2HG   GLN  12          2HG       GLN  12   0.374  -0.027 -11.683
  116   1HE2  GLN  12          2HE2      GLN  12   2.614  -0.278 -11.757
  117   2HE2  GLN  12          1HE2      GLN  12   3.486  -0.190 -13.289
  118    H    LEU  13           H        LEU  13  -1.330  -1.017  -9.977
  119    HA   LEU  13           HA       LEU  13  -1.109  -3.590 -11.340
  120   1HB   LEU  13          1HB       LEU  13  -0.863  -3.015  -8.366
  121   2HB   LEU  13          2HB       LEU  13  -0.506  -4.486  -9.252
  122    HG   LEU  13           HG       LEU  13   1.072  -1.995  -8.983
  123   1HD1  LEU  13          1HD1      LEU  13   1.526  -4.208  -7.865
  124   2HD1  LEU  13          2HD1      LEU  13   1.929  -4.881  -9.445
  125   3HD1  LEU  13          3HD1      LEU  13   2.896  -3.544  -8.785
  126   1HD2  LEU  13          1HD2      LEU  13   1.344  -3.806 -11.456
  127   2HD2  LEU  13          2HD2      LEU  13   0.801  -2.134 -11.534
  128   3HD2  LEU  13          3HD2      LEU  13   2.437  -2.472 -10.998
  129    H    ILE  14           H        ILE  14  -3.192  -2.148  -8.769
  130    HA   ILE  14           HA       ILE  14  -5.088  -4.349  -8.642
  131    HB   ILE  14           HB       ILE  14  -5.179  -1.316  -8.115
  132   1HG1  ILE  14          1HG1      ILE  14  -5.845  -2.087  -5.867
  133   2HG1  ILE  14          2HG1      ILE  14  -5.721  -3.777  -6.370
  134   1HG2  ILE  14          1HG2      ILE  14  -7.419  -1.792  -9.084
  135   2HG2  ILE  14          2HG2      ILE  14  -7.588  -3.203  -8.017
  136   3HG2  ILE  14          3HG2      ILE  14  -7.535  -1.555  -7.360
  137   1HD1  ILE  14          1HD1      ILE  14  -3.285  -3.510  -6.655
  138   2HD1  ILE  14          2HD1      ILE  14  -3.431  -1.758  -6.338
  139   3HD1  ILE  14          3HD1      ILE  14  -3.784  -2.934  -5.061
  140    H    LYS  15           H        LYS  15  -5.195  -1.303 -10.493
  141    HA   LYS  15           HA       LYS  15  -7.274  -2.054 -12.162
  142   1HB   LYS  15          1HB       LYS  15  -5.606   0.102 -12.084
  143   2HB   LYS  15          2HB       LYS  15  -4.946  -0.703 -13.490
  144   1HG   LYS  15          1HG       LYS  15  -6.582   0.832 -14.311
  145   2HG   LYS  15          2HG       LYS  15  -7.422  -0.730 -14.361
  146   1HD   LYS  15          1HD       LYS  15  -8.444  -0.190 -12.103
  147   2HD   LYS  15          2HD       LYS  15  -7.575   1.350 -12.107
  148   1HE   LYS  15          1HE       LYS  15  -8.823   2.063 -14.127
  149   2HE   LYS  15          2HE       LYS  15  -9.683   0.509 -14.148
  150   1HZ   LYS  15          1HZ       LYS  15 -10.573   1.049 -11.997
  151   2HZ   LYS  15          2HZ       LYS  15  -9.774   2.487 -11.978
  152   3HZ   LYS  15          3HZ       LYS  15 -10.960   2.221 -13.089
  153    H    GLN  16           H        GLN  16  -3.869  -2.988 -12.786
  154    HA   GLN  16           HA       GLN  16  -4.531  -4.414 -15.239
  155   1HB   GLN  16          1HB       GLN  16  -2.074  -4.239 -13.474
  156   2HB   GLN  16          2HB       GLN  16  -2.225  -5.637 -14.503
  157   1HG   GLN  16          1HG       GLN  16  -2.429  -2.803 -15.559
  158   2HG   GLN  16          2HG       GLN  16  -0.964  -3.806 -15.603
  159   1HE2  GLN  16          2HE2      GLN  16  -2.370  -2.769 -17.993
  160   2HE2  GLN  16          1HE2      GLN  16  -2.971  -4.202 -18.830
  161    H    TYR  17           H        TYR  17  -4.518  -5.222 -11.830
  162    HA   TYR  17           HA       TYR  17  -4.403  -8.089 -12.207
  163   1HB   TYR  17          1HB       TYR  17  -5.193  -6.184  -9.979
  164   2HB   TYR  17          2HB       TYR  17  -5.698  -7.816  -9.866
  165    HD1  TYR  17           HD1      TYR  17  -3.742  -6.045  -8.123
  166    HD2  TYR  17           HD2      TYR  17  -3.557  -9.507 -10.661
  167    HE1  TYR  17           HE1      TYR  17  -2.130  -7.092  -6.593
  168    HE2  TYR  17           HE2      TYR  17  -1.763 -10.450  -9.244
  169    HH   TYR  17           HH       TYR  17  -0.433 -10.121  -7.389
  170    H    ARG  18           H        ARG  18  -6.889  -5.672 -12.483
  171    HA   ARG  18           HA       ARG  18  -9.139  -7.554 -12.406
  172   1HB   ARG  18          1HB       ARG  18  -8.945  -4.631 -13.244
  173   2HB   ARG  18          2HB       ARG  18 -10.441  -5.572 -13.229
  174   1HG   ARG  18          1HG       ARG  18 -10.252  -5.962 -10.824
  175   2HG   ARG  18          2HG       ARG  18  -8.679  -5.148 -10.774
  176   1HD   ARG  18          1HD       ARG  18  -9.720  -3.040 -11.506
  177   2HD   ARG  18          2HD       ARG  18 -11.320  -3.831 -11.527
  178    HE   ARG  18           HE       ARG  18 -10.185  -4.280  -8.988
  179   1HH1  ARG  18          1HH2      ARG  18 -11.326  -1.554 -10.897
  180   2HH1  ARG  18          2HH2      ARG  18 -11.700  -0.550  -9.516
  181   1HH2  ARG  18          1HH1      ARG  18 -10.692  -3.026  -7.178
  182   2HH2  ARG  18          2HH1      ARG  18 -11.285  -1.404  -7.322
  183    H    GLU  19           H        GLU  19  -7.177  -5.883 -14.774
  184    HA   GLU  19           HA       GLU  19  -8.501  -6.735 -17.137
  185   1HB   GLU  19          1HB       GLU  19  -6.736  -4.946 -16.932
  186   2HB   GLU  19          2HB       GLU  19  -5.527  -6.234 -16.815
  187   1HG   GLU  19          1HG       GLU  19  -6.033  -7.031 -19.025
  188   2HG   GLU  19          2HG       GLU  19  -7.441  -5.957 -19.148
  189    H    ALA  20           H        ALA  20  -5.869  -8.249 -15.163
  190    HA   ALA  20           HA       ALA  20  -5.712 -10.473 -17.113
  191   1HB   ALA  20          1HB       ALA  20  -3.689  -9.846 -16.166
  192   2HB   ALA  20          2HB       ALA  20  -4.367  -9.804 -14.531
  193   3HB   ALA  20          3HB       ALA  20  -4.090 -11.372 -15.350
  194    H    LEU  21           H        LEU  21  -7.481  -9.965 -14.100
  195    HA   LEU  21           HA       LEU  21  -7.801 -12.346 -12.971
  196   1HB   LEU  21          1HB       LEU  21  -8.962 -10.407 -12.194
  197   2HB   LEU  21          2HB       LEU  21  -9.928 -10.301 -13.670
  198    HG   LEU  21           HG       LEU  21 -11.211 -12.268 -13.094
  199   1HD1  LEU  21          1HD1      LEU  21  -9.434 -13.607 -11.915
  200   2HD1  LEU  21          2HD1      LEU  21  -9.483 -12.431 -10.598
  201   3HD1  LEU  21          3HD1      LEU  21 -10.896 -13.457 -10.961
  202   1HD2  LEU  21          1HD2      LEU  21 -10.934 -10.391 -10.710
  203   2HD2  LEU  21          2HD2      LEU  21 -11.861 -10.052 -12.184
  204   3HD2  LEU  21          3HD2      LEU  21 -12.354 -11.380 -11.121
  205    H    GLU  22           H        GLU  22  -9.719 -11.454 -15.821
  206    HA   GLU  22           HA       GLU  22 -11.073 -14.057 -15.907
  207   1HB   GLU  22          1HB       GLU  22 -12.268 -13.149 -17.829
  208   2HB   GLU  22          2HB       GLU  22 -12.372 -12.073 -16.427
  209   1HG   GLU  22          1HG       GLU  22 -10.613 -10.624 -17.387
  210   2HG   GLU  22          2HG       GLU  22 -10.460 -11.734 -18.765
  211    H    TYR  23           H        TYR  23  -8.247 -12.660 -17.451
  212    HA   TYR  23           HA       TYR  23  -8.091 -14.698 -19.527
  213   1HB   TYR  23          1HB       TYR  23  -6.268 -12.581 -18.353
  214   2HB   TYR  23          2HB       TYR  23  -5.591 -13.892 -19.267
  215    HD1  TYR  23           HD1      TYR  23  -8.094 -11.110 -19.434
  216    HD2  TYR  23           HD2      TYR  23  -5.713 -13.932 -21.666
  217    HE1  TYR  23           HE1      TYR  23  -8.860 -10.088 -21.545
  218    HE2  TYR  23           HE2      TYR  23  -6.438 -12.862 -23.782
  219    HH   TYR  23           HH       TYR  23  -8.739 -10.134 -23.838
  220    H    VAL  24           H        VAL  24  -7.082 -14.255 -16.145
  221    HA   VAL  24           HA       VAL  24  -5.668 -16.832 -16.129
  222    HB   VAL  24           HB       VAL  24  -6.350 -14.976 -13.828
  223   1HG1  VAL  24          1HG1      VAL  24  -5.793 -17.200 -12.979
  224   2HG1  VAL  24          2HG1      VAL  24  -4.452 -17.360 -14.126
  225   3HG1  VAL  24          3HG1      VAL  24  -4.343 -16.211 -12.792
  226   1HG2  VAL  24          1HG2      VAL  24  -3.823 -15.282 -15.508
  227   2HG2  VAL  24          2HG2      VAL  24  -4.890 -13.881 -15.559
  228   3HG2  VAL  24          3HG2      VAL  24  -3.994 -14.228 -14.086
  229    H    LYS  25           H        LYS  25  -8.900 -15.716 -15.370
  230    HA   LYS  25           HA       LYS  25 -10.831 -16.812 -15.006
  231   1HB   LYS  25          1HB       LYS  25  -9.376 -19.398 -15.689
  232   2HB   LYS  25          2HB       LYS  25 -11.117 -19.113 -15.685
  233   1HG   LYS  25          1HG       LYS  25 -10.885 -17.486 -17.535
  234   2HG   LYS  25          2HG       LYS  25  -9.131 -17.683 -17.510
  235   1HD   LYS  25          1HD       LYS  25  -9.887 -18.964 -19.312
  236   2HD   LYS  25          2HD       LYS  25  -9.407 -20.111 -18.053
  237   1HE   LYS  25          1HE       LYS  25 -11.795 -20.447 -17.438
  238   2HE   LYS  25          2HE       LYS  25 -12.282 -19.198 -18.603
  239   1HZ   LYS  25          1HZ       LYS  25 -11.404 -20.577 -20.343
  240   2HZ   LYS  25          2HZ       LYS  25 -10.976 -21.742 -19.259
  241   3HZ   LYS  25          3HZ       LYS  25 -12.567 -21.374 -19.489
  242    H    LEU  26           H        LEU  26  -8.951 -16.346 -12.808
  243    HA   LEU  26           HA       LEU  26  -9.605 -18.623 -10.974
  244   1HB   LEU  26          1HB       LEU  26  -7.254 -18.490 -11.538
  245   2HB   LEU  26          2HB       LEU  26  -7.218 -16.797 -11.054
  246    HG   LEU  26           HG       LEU  26  -7.972 -17.622  -8.714
  247   1HD1  LEU  26          1HD1      LEU  26  -8.673 -19.913  -9.324
  248   2HD1  LEU  26          2HD1      LEU  26  -7.021 -20.274  -9.866
  249   3HD1  LEU  26          3HD1      LEU  26  -7.345 -19.949  -8.155
  250   1HD2  LEU  26          1HD2      LEU  26  -5.227 -18.461  -9.692
  251   2HD2  LEU  26          2HD2      LEU  26  -5.689 -16.810  -9.227
  252   3HD2  LEU  26          3HD2      LEU  26  -5.719 -18.095  -8.021
  253    HA   PRO  27           HA       PRO  27 -11.808 -15.063  -9.084
  254   1HB   PRO  27          1HB       PRO  27 -13.260 -16.407  -7.193
  255   2HB   PRO  27          2HB       PRO  27 -13.722 -16.313  -8.916
  256   1HG   PRO  27          1HG       PRO  27 -12.239 -18.553  -7.523
  257   2HG   PRO  27          2HG       PRO  27 -13.638 -18.688  -8.626
  258   1HD   PRO  27          1HD       PRO  27 -11.098 -19.071  -9.480
  259   2HD   PRO  27          2HD       PRO  27 -12.277 -18.243 -10.537
  260    H    VAL  28           H        VAL  28  -9.843 -17.602  -7.473
  261    HA   VAL  28           HA       VAL  28  -9.356 -16.135  -5.082
  262    HB   VAL  28           HB       VAL  28  -7.727 -18.170  -6.532
  263   1HG1  VAL  28          1HG1      VAL  28  -6.052 -16.784  -5.447
  264   2HG1  VAL  28          2HG1      VAL  28  -7.016 -16.711  -3.955
  265   3HG1  VAL  28          3HG1      VAL  28  -6.274 -18.236  -4.476
  266   1HG2  VAL  28          1HG2      VAL  28  -9.143 -18.167  -3.834
  267   2HG2  VAL  28          2HG2      VAL  28  -9.780 -18.908  -5.320
  268   3HG2  VAL  28          3HG2      VAL  28  -8.300 -19.541  -4.575
  269    H    LEU  29           H        LEU  29  -8.047 -15.634  -8.414
  270    HA   LEU  29           HA       LEU  29  -6.000 -13.819  -7.558
  271   1HB   LEU  29          1HB       LEU  29  -6.762 -14.910 -10.012
  272   2HB   LEU  29          2HB       LEU  29  -7.319 -13.249 -10.173
  273    HG   LEU  29           HG       LEU  29  -4.570 -14.212  -9.410
  274   1HD1  LEU  29          1HD1      LEU  29  -5.303 -14.483 -11.798
  275   2HD1  LEU  29          2HD1      LEU  29  -5.490 -12.725 -11.922
  276   3HD1  LEU  29          3HD1      LEU  29  -3.885 -13.433 -11.627
  277   1HD2  LEU  29          1HD2      LEU  29  -5.555 -11.336  -9.842
  278   2HD2  LEU  29          2HD2      LEU  29  -4.898 -11.998  -8.331
  279   3HD2  LEU  29          3HD2      LEU  29  -3.849 -11.810  -9.731
  280    H    ALA  30           H        ALA  30  -9.448 -13.625  -8.519
  281    HA   ALA  30           HA       ALA  30  -9.506 -10.931  -8.474
  282   1HB   ALA  30          1HB       ALA  30 -11.490 -12.346  -9.173
  283   2HB   ALA  30          2HB       ALA  30 -11.899 -12.566  -7.467
  284   3HB   ALA  30          3HB       ALA  30 -11.935 -10.952  -8.181
  285    H    LYS  31           H        LYS  31  -9.790 -13.307  -5.854
  286    HA   LYS  31           HA       LYS  31 -10.472 -11.441  -3.749
  287   1HB   LYS  31          1HB       LYS  31 -10.957 -13.858  -3.563
  288   2HB   LYS  31          2HB       LYS  31  -9.211 -14.190  -3.470
  289   1HG   LYS  31          1HG       LYS  31  -9.039 -12.817  -1.419
  290   2HG   LYS  31          2HG       LYS  31 -10.756 -12.401  -1.528
  291   1HD   LYS  31          1HD       LYS  31 -11.388 -14.743  -1.184
  292   2HD   LYS  31          2HD       LYS  31  -9.682 -15.246  -1.250
  293   1HE   LYS  31          1HE       LYS  31  -9.186 -13.882   0.768
  294   2HE   LYS  31          2HE       LYS  31 -10.878 -13.360   0.844
  295   1HZ   LYS  31          1HZ       LYS  31 -11.502 -15.635   1.183
  296   2HZ   LYS  31          2HZ       LYS  31  -9.933 -16.133   1.077
  297   3HZ   LYS  31          3HZ       LYS  31 -10.409 -15.169   2.324
  298    H    ILE  32           H        ILE  32  -7.414 -12.735  -5.024
  299    HA   ILE  32           HA       ILE  32  -5.776 -11.615  -2.917
  300    HB   ILE  32           HB       ILE  32  -5.208 -12.332  -5.815
  301   1HG1  ILE  32          1HG1      ILE  32  -4.287 -13.665  -3.217
  302   2HG1  ILE  32          2HG1      ILE  32  -5.741 -14.145  -4.065
  303   1HG2  ILE  32          1HG2      ILE  32  -2.834 -12.077  -5.415
  304   2HG2  ILE  32          2HG2      ILE  32  -3.594 -10.537  -5.039
  305   3HG2  ILE  32          3HG2      ILE  32  -3.113 -11.628  -3.734
  306   1HD1  ILE  32          1HD1      ILE  32  -4.342 -14.617  -6.112
  307   2HD1  ILE  32          2HD1      ILE  32  -2.897 -14.300  -5.123
  308   3HD1  ILE  32          3HD1      ILE  32  -3.992 -15.626  -4.696
  309    H    LEU  33           H        LEU  33  -7.001 -10.378  -6.067
  310    HA   LEU  33           HA       LEU  33  -5.449  -8.008  -5.868
  311   1HB   LEU  33          1HB       LEU  33  -6.319  -7.475  -7.880
  312   2HB   LEU  33          2HB       LEU  33  -6.406  -9.257  -7.879
  313    HG   LEU  33           HG       LEU  33  -8.749  -9.146  -7.604
  314   1HD1  LEU  33          1HD1      LEU  33  -9.450  -7.215  -6.551
  315   2HD1  LEU  33          2HD1      LEU  33  -8.240  -6.202  -7.408
  316   3HD1  LEU  33          3HD1      LEU  33  -9.721  -6.776  -8.235
  317   1HD2  LEU  33          1HD2      LEU  33  -7.761  -7.315  -9.793
  318   2HD2  LEU  33          2HD2      LEU  33  -7.520  -9.088  -9.808
  319   3HD2  LEU  33          3HD2      LEU  33  -9.157  -8.405  -9.883
  320    H    GLU  34           H        GLU  34  -8.622  -8.896  -4.651
  321    HA   GLU  34           HA       GLU  34  -9.596  -6.309  -4.152
  322   1HB   GLU  34          1HB       GLU  34 -10.798  -8.576  -4.075
  323   2HB   GLU  34          2HB       GLU  34 -10.165  -8.783  -2.457
  324   1HG   GLU  34          1HG       GLU  34 -11.849  -6.385  -3.334
  325   2HG   GLU  34          2HG       GLU  34 -12.522  -7.846  -2.599
  326    H    ASP  35           H        ASP  35  -7.858  -8.605  -2.091
  327    HA   ASP  35           HA       ASP  35  -7.758  -7.081   0.273
  328   1HB   ASP  35          1HB       ASP  35  -6.992  -9.473  -0.023
  329   2HB   ASP  35          2HB       ASP  35  -5.482  -8.851  -0.718
  330    H    GLU  36           H        GLU  36  -5.386  -7.148  -2.419
  331    HA   GLU  36           HA       GLU  36  -3.596  -5.212  -1.495
  332   1HB   GLU  36          1HB       GLU  36  -4.480  -5.657  -4.361
  333   2HB   GLU  36          2HB       GLU  36  -3.026  -4.831  -3.815
  334   1HG   GLU  36          1HG       GLU  36  -3.161  -7.494  -2.581
  335   2HG   GLU  36          2HG       GLU  36  -3.391  -7.635  -4.323
  336    H    GLU  37           H        GLU  37  -6.733  -4.706  -3.157
  337    HA   GLU  37           HA       GLU  37  -6.471  -2.061  -3.762
  338   1HB   GLU  37          1HB       GLU  37  -8.308  -4.076  -4.119
  339   2HB   GLU  37          2HB       GLU  37  -9.167  -3.261  -2.840
  340   1HG   GLU  37          1HG       GLU  37  -8.051  -1.729  -5.201
  341   2HG   GLU  37          2HG       GLU  37  -9.430  -2.797  -5.441
  342    H    LYS  38           H        LYS  38  -7.432  -3.453  -0.622
  343    HA   LYS  38           HA       LYS  38  -8.037  -0.920   0.604
  344   1HB   LYS  38          1HB       LYS  38  -8.660  -3.185   1.498
  345   2HB   LYS  38          2HB       LYS  38  -6.949  -3.464   1.860
  346   1HG   LYS  38          1HG       LYS  38  -7.048  -1.261   3.249
  347   2HG   LYS  38          2HG       LYS  38  -8.802  -1.339   3.056
  348   1HD   LYS  38          1HD       LYS  38  -8.848  -3.493   4.245
  349   2HD   LYS  38          2HD       LYS  38  -7.071  -3.567   4.240
  350   1HE   LYS  38          1HE       LYS  38  -6.972  -1.474   5.602
  351   2HE   LYS  38          2HE       LYS  38  -8.744  -1.433   5.662
  352   1HZ   LYS  38          1HZ       LYS  38  -8.678  -3.533   6.802
  353   2HZ   LYS  38          2HZ       LYS  38  -7.031  -3.575   6.719
  354   3HZ   LYS  38          3HZ       LYS  38  -7.781  -2.411   7.612
  355    H    HIS  39           H        HIS  39  -5.018  -2.878   0.490
  356    HA   HIS  39           HA       HIS  39  -3.488  -1.183   2.201
  357   1HB   HIS  39          1HB       HIS  39  -2.670  -3.009  -0.091
  358   2HB   HIS  39          2HB       HIS  39  -1.534  -2.213   0.979
  359    HD1  HIS  39           HD1      HIS  39  -2.002  -2.926   3.746
  360    HD2  HIS  39           HD2      HIS  39  -3.576  -5.330   0.676
  361    HE1  HIS  39           HE1      HIS  39  -2.507  -5.233   4.783
  362    HE2  HIS  39           HE2      HIS  39  -3.437  -6.684   2.859
  363    H    ILE  40           H        ILE  40  -4.030  -1.141  -1.309
  364    HA   ILE  40           HA       ILE  40  -2.237   1.122  -1.705
  365    HB   ILE  40           HB       ILE  40  -4.124  -0.466  -3.495
  366   1HG1  ILE  40          1HG1      ILE  40  -1.876  -0.777  -4.675
  367   2HG1  ILE  40          2HG1      ILE  40  -1.113   0.131  -3.350
  368   1HG2  ILE  40          1HG2      ILE  40  -4.291   1.854  -4.299
  369   2HG2  ILE  40          2HG2      ILE  40  -2.526   2.051  -4.205
  370   3HG2  ILE  40          3HG2      ILE  40  -3.247   0.936  -5.383
  371   1HD1  ILE  40          1HD1      ILE  40  -1.599  -1.707  -1.811
  372   2HD1  ILE  40          2HD1      ILE  40  -2.512  -2.546  -3.099
  373   3HD1  ILE  40          3HD1      ILE  40  -0.779  -2.307  -3.247
  374    H    GLU  41           H        GLU  41  -5.732   0.704  -1.149
  375    HA   GLU  41           HA       GLU  41  -6.576   3.330  -1.625
  376   1HB   GLU  41          1HB       GLU  41  -8.023   1.305  -0.897
  377   2HB   GLU  41          2HB       GLU  41  -7.486   1.674   0.754
  378   1HG   GLU  41          1HG       GLU  41  -8.315   4.097   0.188
  379   2HG   GLU  41          2HG       GLU  41  -9.201   3.293  -1.114
  380    H    TRP  42           H        TRP  42  -4.931   1.864   1.263
  381    HA   TRP  42           HA       TRP  42  -5.022   3.972   3.013
  382   1HB   TRP  42          1HB       TRP  42  -3.950   1.584   3.125
  383   2HB   TRP  42          2HB       TRP  42  -2.492   2.379   2.551
  384    HD1  TRP  42           HD1      TRP  42  -4.749   2.193   5.556
  385    HE1  TRP  42           HE1      TRP  42  -3.594   3.299   7.594
  386    HE3  TRP  42           HE3      TRP  42  -0.814   4.188   3.149
  387    HZ2  TRP  42           HZ2      TRP  42  -1.208   4.931   8.060
  388    HZ3  TRP  42           HZ3      TRP  42   0.926   5.550   4.367
  389    HH2  TRP  42           HH2      TRP  42   0.685   5.955   6.808
  390    H    LEU  43           H        LEU  43  -2.990   3.580   0.153
  391    HA   LEU  43           HA       LEU  43  -1.377   5.954   0.863
  392   1HB   LEU  43          1HB       LEU  43  -1.226   3.887  -1.391
  393   2HB   LEU  43          2HB       LEU  43  -0.136   5.265  -1.287
  394    HG   LEU  43           HG       LEU  43  -0.310   3.367   1.063
  395   1HD1  LEU  43          1HD1      LEU  43  -0.009   1.813  -0.670
  396   2HD1  LEU  43          2HD1      LEU  43   1.022   2.896  -1.613
  397   3HD1  LEU  43          3HD1      LEU  43   1.635   2.181  -0.121
  398   1HD2  LEU  43          1HD2      LEU  43   1.921   5.073  -0.159
  399   2HD2  LEU  43          2HD2      LEU  43   0.971   5.497   1.276
  400   3HD2  LEU  43          3HD2      LEU  43   2.053   4.094   1.315
  401    H    GLU  44           H        GLU  44  -4.141   5.223  -1.055
  402    HA   GLU  44           HA       GLU  44  -3.772   7.647  -2.740
  403   1HB   GLU  44          1HB       GLU  44  -6.051   5.649  -2.512
  404   2HB   GLU  44          2HB       GLU  44  -6.035   7.076  -3.567
  405   1HG   GLU  44          1HG       GLU  44  -4.023   6.236  -4.717
  406   2HG   GLU  44          2HG       GLU  44  -3.960   4.826  -3.649
  407    H    THR  45           H        THR  45  -5.987   6.412  -0.525
  408    HA   THR  45           HA       THR  45  -7.708   8.579  -0.148
  409    HB   THR  45           HB       THR  45  -7.816   6.202   0.796
  410    HG1  THR  45           HG1      THR  45  -8.818   8.410   2.252
  411   1HG2  THR  45          1HG2      THR  45  -5.916   6.258   2.379
  412   2HG2  THR  45          2HG2      THR  45  -6.802   7.436   3.374
  413   3HG2  THR  45          3HG2      THR  45  -7.451   5.813   3.123
  414    H    ILE  46           H        ILE  46  -4.857   7.873   1.600
  415    HA   ILE  46           HA       ILE  46  -4.601   9.598   3.661
  416    HB   ILE  46           HB       ILE  46  -3.055   7.891   3.067
  417   1HG1  ILE  46          1HG1      ILE  46  -1.093  10.090   2.934
  418   2HG1  ILE  46          2HG1      ILE  46  -2.258  10.173   4.276
  419   1HG2  ILE  46          1HG2      ILE  46  -3.132   7.902   0.783
  420   2HG2  ILE  46          2HG2      ILE  46  -2.324   9.448   0.597
  421   3HG2  ILE  46          3HG2      ILE  46  -1.443   8.061   1.254
  422   1HD1  ILE  46          1HD1      ILE  46  -1.793   7.872   4.931
  423   2HD1  ILE  46          2HD1      ILE  46  -0.676   7.673   3.568
  424   3HD1  ILE  46          3HD1      ILE  46  -0.281   8.799   4.895
  425    H    LEU  47           H        LEU  47  -4.048  10.588   0.237
  426    HA   LEU  47           HA       LEU  47  -3.285  13.321   1.086
  427   1HB   LEU  47          1HB       LEU  47  -3.261  11.769  -1.438
  428   2HB   LEU  47          2HB       LEU  47  -3.880  13.400  -1.637
  429    HG   LEU  47           HG       LEU  47  -1.465  13.204  -2.051
  430   1HD1  LEU  47          1HD1      LEU  47  -2.489  15.366  -1.408
  431   2HD1  LEU  47          2HD1      LEU  47  -2.092  15.051   0.292
  432   3HD1  LEU  47          3HD1      LEU  47  -0.798  15.226  -0.903
  433   1HD2  LEU  47          1HD2      LEU  47  -1.152  12.735   0.952
  434   2HD2  LEU  47          2HD2      LEU  47  -0.886  11.533  -0.325
  435   3HD2  LEU  47          3HD2      LEU  47   0.129  12.992  -0.233
  436    H    GLY  48           H        GLY  48  -4.896  14.117   2.186
  437   1HA   GLY  48          1HA       GLY  48  -7.447  13.702   2.462
  438   2HA   GLY  48          2HA       GLY  48  -6.816  15.351   2.515
  439   1HN   NH2  49          1HN       NH2  49  -8.389  12.918   0.406
  440   2HN   NH2  49          2HN       NH2  49  -9.149  14.110  -0.683
  441   1H    ACE   0          H1        ACE   0   2.963 -16.460 -23.194
  442   2H    ACE   0          H2        ACE   0   2.953 -16.535 -21.418
  443   3H    ACE   0          H3        ACE   0   1.417 -16.461 -22.317
  444    H    ASP   1           H        ASP   1   1.155 -14.614 -20.721
  445    HA   ASP   1           HA       ASP   1   2.616 -12.125 -21.341
  446   1HB   ASP   1          1HB       ASP   1   0.744 -12.133 -22.919
  447   2HB   ASP   1          2HB       ASP   1  -0.416 -12.428 -21.622
  448    H    TYR   2           H        TYR   2  -0.300 -13.271 -19.662
  449    HA   TYR   2           HA       TYR   2  -0.580 -12.017 -17.348
  450   1HB   TYR   2          1HB       TYR   2  -1.894 -13.924 -17.792
  451   2HB   TYR   2          2HB       TYR   2  -0.488 -14.961 -18.008
  452    HD1  TYR   2           HD1      TYR   2  -1.023 -12.763 -15.010
  453    HD2  TYR   2           HD2      TYR   2  -1.227 -16.752 -16.645
  454    HE1  TYR   2           HE1      TYR   2  -1.235 -13.688 -12.736
  455    HE2  TYR   2           HE2      TYR   2  -1.526 -17.661 -14.367
  456    HH   TYR   2           HH       TYR   2  -1.444 -15.602 -11.454
  457    H    LEU   3           H        LEU   3   1.752 -14.741 -17.359
  458    HA   LEU   3           HA       LEU   3   2.628 -14.030 -14.748
  459   1HB   LEU   3          1HB       LEU   3   3.928 -15.837 -16.837
  460   2HB   LEU   3          2HB       LEU   3   4.401 -15.789 -15.137
  461    HG   LEU   3           HG       LEU   3   1.600 -16.559 -16.079
  462   1HD1  LEU   3          1HD1      LEU   3   3.268 -18.170 -16.903
  463   2HD1  LEU   3          2HD1      LEU   3   3.946 -18.323 -15.266
  464   3HD1  LEU   3          3HD1      LEU   3   2.292 -18.877 -15.603
  465   1HD2  LEU   3          1HD2      LEU   3   3.017 -16.828 -13.383
  466   2HD2  LEU   3          2HD2      LEU   3   1.642 -15.761 -13.736
  467   3HD2  LEU   3          3HD2      LEU   3   1.429 -17.513 -13.777
  468    H    ARG   4           H        ARG   4   3.602 -12.530 -17.671
  469    HA   ARG   4           HA       ARG   4   6.285 -11.799 -16.766
  470   1HB   ARG   4          1HB       ARG   4   4.488 -10.302 -18.703
  471   2HB   ARG   4          2HB       ARG   4   6.239 -10.172 -18.508
  472   1HG   ARG   4          1HG       ARG   4   6.396 -12.618 -19.282
  473   2HG   ARG   4          2HG       ARG   4   4.669 -12.509 -19.665
  474   1HD   ARG   4          1HD       ARG   4   5.410 -10.286 -20.936
  475   2HD   ARG   4          2HD       ARG   4   7.004 -11.079 -20.932
  476    HE   ARG   4           HE       ARG   4   4.874 -12.823 -21.870
  477   1HH1  ARG   4          1HH2      ARG   4   6.927 -10.136 -22.860
  478   2HH1  ARG   4          2HH2      ARG   4   6.596 -10.325 -24.562
  479   1HH2  ARG   4          1HH1      ARG   4   4.354 -13.035 -24.011
  480   2HH2  ARG   4          2HH1      ARG   4   5.100 -12.057 -25.255
  481    H    GLU   5           H        GLU   5   2.968 -10.848 -16.137
  482    HA   GLU   5           HA       GLU   5   3.822  -8.431 -14.627
  483   1HB   GLU   5          1HB       GLU   5   1.457  -7.578 -15.275
  484   2HB   GLU   5          2HB       GLU   5   2.760  -7.488 -16.455
  485   1HG   GLU   5          1HG       GLU   5   1.918  -9.438 -17.655
  486   2HG   GLU   5          2HG       GLU   5   0.665  -9.681 -16.427
  487    H    LEU   6           H        LEU   6   1.557  -7.944 -13.282
  488    HA   LEU   6           HA       LEU   6   0.386  -8.468 -11.424
  489   1HB   LEU   6          1HB       LEU   6   0.191 -11.186 -12.795
  490   2HB   LEU   6          2HB       LEU   6  -0.509 -10.823 -11.237
  491    HG   LEU   6           HG       LEU   6  -1.893  -8.956 -12.309
  492   1HD1  LEU   6          1HD1      LEU   6  -0.533  -8.608 -14.344
  493   2HD1  LEU   6          2HD1      LEU   6  -0.921 -10.260 -14.876
  494   3HD1  LEU   6          3HD1      LEU   6  -2.187  -9.020 -14.711
  495   1HD2  LEU   6          1HD2      LEU   6  -2.444 -11.642 -13.563
  496   2HD2  LEU   6          2HD2      LEU   6  -2.475 -11.481 -11.804
  497   3HD2  LEU   6          3HD2      LEU   6  -3.552 -10.508 -12.764
  498    H    LEU   7           H        LEU   7   3.461  -9.494 -11.818
  499    HA   LEU   7           HA       LEU   7   3.694 -10.508  -9.120
  500   1HB   LEU   7          1HB       LEU   7   3.343 -12.483 -10.548
  501   2HB   LEU   7          2HB       LEU   7   4.604 -11.953 -11.663
  502    HG   LEU   7           HG       LEU   7   6.336 -12.322  -9.977
  503   1HD1  LEU   7          1HD1      LEU   7   3.963 -12.506  -8.144
  504   2HD1  LEU   7          2HD1      LEU   7   5.326 -13.547  -7.790
  505   3HD1  LEU   7          3HD1      LEU   7   5.558 -11.792  -7.866
  506   1HD2  LEU   7          1HD2      LEU   7   5.555 -14.239 -11.341
  507   2HD2  LEU   7          2HD2      LEU   7   6.170 -14.737  -9.758
  508   3HD2  LEU   7          3HD2      LEU   7   4.421 -14.687 -10.050
  509    H    LYS   8           H        LYS   8   5.701 -10.011 -12.068
  510    HA   LYS   8           HA       LYS   8   7.988  -9.189 -10.714
  511   1HB   LYS   8          1HB       LYS   8   7.969  -9.789 -13.096
  512   2HB   LYS   8          2HB       LYS   8   6.916  -8.411 -13.458
  513   1HG   LYS   8          1HG       LYS   8   8.718  -6.861 -12.687
  514   2HG   LYS   8          2HG       LYS   8   9.784  -8.246 -12.419
  515   1HD   LYS   8          1HD       LYS   8   9.780  -8.772 -14.792
  516   2HD   LYS   8          2HD       LYS   8   8.443  -7.647 -15.100
  517   1HE   LYS   8          1HE       LYS   8   9.876  -5.731 -14.395
  518   2HE   LYS   8          2HE       LYS   8  11.229  -6.839 -14.125
  519   1HZ   LYS   8          1HZ       LYS   8  11.165  -7.384 -16.444
  520   2HZ   LYS   8          2HZ       LYS   8   9.865  -6.400 -16.692
  521   3HZ   LYS   8          3HZ       LYS   8  11.316  -5.754 -16.256
  522    H    LEU   9           H        LEU   9   5.282  -7.404 -12.067
  523    HA   LEU   9           HA       LEU   9   5.990  -4.755 -11.371
  524   1HB   LEU   9          1HB       LEU   9   3.205  -5.965 -11.535
  525   2HB   LEU   9          2HB       LEU   9   3.638  -4.252 -11.604
  526    HG   LEU   9           HG       LEU   9   4.406  -6.345 -13.680
  527   1HD1  LEU   9          1HD1      LEU   9   1.993  -5.725 -13.657
  528   2HD1  LEU   9          2HD1      LEU   9   2.442  -4.016 -13.814
  529   3HD1  LEU   9          3HD1      LEU   9   2.816  -5.156 -15.121
  530   1HD2  LEU   9          1HD2      LEU   9   4.936  -3.342 -13.572
  531   2HD2  LEU   9          2HD2      LEU   9   6.147  -4.646 -13.625
  532   3HD2  LEU   9          3HD2      LEU   9   5.116  -4.348 -15.026
  533    H    GLU  10           H        GLU  10   4.290  -7.302  -9.513
  534    HA   GLU  10           HA       GLU  10   3.653  -5.642  -7.261
  535   1HB   GLU  10          1HB       GLU  10   4.156  -8.649  -7.422
  536   2HB   GLU  10          2HB       GLU  10   3.497  -7.729  -6.089
  537   1HG   GLU  10          1HG       GLU  10   2.162  -7.990  -8.805
  538   2HG   GLU  10          2HG       GLU  10   1.755  -8.951  -7.381
  539    H    LEU  11           H        LEU  11   6.420  -7.768  -8.088
  540    HA   LEU  11           HA       LEU  11   7.683  -7.671  -5.579
  541   1HB   LEU  11          1HB       LEU  11   8.267  -9.266  -7.262
  542   2HB   LEU  11          2HB       LEU  11   8.900  -8.030  -8.349
  543    HG   LEU  11           HG       LEU  11  10.089  -8.167  -5.583
  544   1HD1  LEU  11          1HD1      LEU  11   9.952 -10.536  -6.176
  545   2HD1  LEU  11          2HD1      LEU  11  10.698 -10.209  -7.756
  546   3HD1  LEU  11          3HD1      LEU  11  11.628  -9.973  -6.260
  547   1HD2  LEU  11          1HD2      LEU  11  11.291  -7.809  -8.376
  548   2HD2  LEU  11          2HD2      LEU  11  10.916  -6.486  -7.257
  549   3HD2  LEU  11          3HD2      LEU  11  12.165  -7.662  -6.840
  550    H    GLN  12           H        GLN  12   7.923  -5.404  -8.333
  551    HA   GLN  12           HA       GLN  12   9.897  -3.691  -7.113
  552   1HB   GLN  12          1HB       GLN  12   7.678  -3.188  -9.163
  553   2HB   GLN  12          2HB       GLN  12   8.711  -1.899  -8.568
  554   1HG   GLN  12          1HG       GLN  12  10.189  -2.352 -10.139
  555   2HG   GLN  12          2HG       GLN  12  10.592  -3.837  -9.282
  556   1HE2  GLN  12          2HE2      GLN  12   7.776  -2.829 -11.339
  557   2HE2  GLN  12          1HE2      GLN  12   7.988  -4.142 -12.488
  558    H    LEU  13           H        LEU  13   6.461  -3.885  -6.443
  559    HA   LEU  13           HA       LEU  13   6.246  -1.380  -5.064
  560   1HB   LEU  13          1HB       LEU  13   4.668  -3.930  -4.504
  561   2HB   LEU  13          2HB       LEU  13   4.320  -2.289  -3.997
  562    HG   LEU  13           HG       LEU  13   4.233  -3.314  -6.858
  563   1HD1  LEU  13          1HD1      LEU  13   2.396  -4.198  -5.696
  564   2HD1  LEU  13          2HD1      LEU  13   2.235  -2.816  -4.636
  565   3HD1  LEU  13          3HD1      LEU  13   1.719  -2.673  -6.320
  566   1HD2  LEU  13          1HD2      LEU  13   3.700  -0.539  -5.721
  567   2HD2  LEU  13          2HD2      LEU  13   4.889  -0.993  -6.951
  568   3HD2  LEU  13          3HD2      LEU  13   3.164  -1.081  -7.326
  569    H    ILE  14           H        ILE  14   6.891  -4.788  -4.096
  570    HA   ILE  14           HA       ILE  14   7.295  -4.147  -1.312
  571    HB   ILE  14           HB       ILE  14   8.319  -6.502  -3.014
  572   1HG1  ILE  14          1HG1      ILE  14   6.005  -6.561  -3.365
  573   2HG1  ILE  14          2HG1      ILE  14   6.257  -7.692  -2.043
  574   1HG2  ILE  14          1HG2      ILE  14   9.471  -6.656  -0.972
  575   2HG2  ILE  14          2HG2      ILE  14   8.035  -6.201  -0.028
  576   3HG2  ILE  14          3HG2      ILE  14   8.138  -7.785  -0.834
  577   1HD1  ILE  14          1HD1      ILE  14   5.716  -5.696  -0.473
  578   2HD1  ILE  14          2HD1      ILE  14   5.134  -4.883  -1.947
  579   3HD1  ILE  14          3HD1      ILE  14   4.376  -6.379  -1.422
  580    H    LYS  15           H        LYS  15   9.120  -2.864  -3.607
  581    HA   LYS  15           HA       LYS  15  11.734  -3.241  -2.267
  582   1HB   LYS  15          1HB       LYS  15  11.046  -3.815  -4.981
  583   2HB   LYS  15          2HB       LYS  15  11.725  -2.202  -5.022
  584   1HG   LYS  15          1HG       LYS  15  13.464  -3.763  -5.435
  585   2HG   LYS  15          2HG       LYS  15  13.762  -3.140  -3.804
  586   1HD   LYS  15          1HD       LYS  15  12.821  -5.174  -2.799
  587   2HD   LYS  15          2HD       LYS  15  12.254  -5.757  -4.364
  588   1HE   LYS  15          1HE       LYS  15  15.202  -5.309  -3.677
  589   2HE   LYS  15          2HE       LYS  15  14.364  -6.863  -3.522
  590   1HZ   LYS  15          1HZ       LYS  15  13.903  -6.815  -5.846
  591   2HZ   LYS  15          2HZ       LYS  15  14.665  -5.366  -6.028
  592   3HZ   LYS  15          3HZ       LYS  15  15.525  -6.700  -5.586
  593    H    GLN  16           H        GLN  16   9.389  -1.305  -4.162
  594    HA   GLN  16           HA       GLN  16  10.564   1.262  -3.563
  595   1HB   GLN  16          1HB       GLN  16   7.837   0.329  -4.544
  596   2HB   GLN  16          2HB       GLN  16   8.319   2.031  -4.451
  597   1HG   GLN  16          1HG       GLN  16  10.086   1.750  -6.021
  598   2HG   GLN  16          2HG       GLN  16  10.051   0.003  -5.954
  599   1HE2  GLN  16          2HE2      GLN  16   9.639   2.084  -8.207
  600   2HE2  GLN  16          1HE2      GLN  16   8.222   1.420  -9.020
  601    H    TYR  17           H        TYR  17   8.303  -0.868  -1.947
  602    HA   TYR  17           HA       TYR  17   7.328   0.998  -0.016
  603   1HB   TYR  17          1HB       TYR  17   7.386  -2.036  -0.413
  604   2HB   TYR  17          2HB       TYR  17   7.012  -1.448   1.163
  605    HD1  TYR  17           HD1      TYR  17   5.298  -2.765  -1.455
  606    HD2  TYR  17           HD2      TYR  17   5.311   0.665   1.106
  607    HE1  TYR  17           HE1      TYR  17   2.902  -2.434  -1.886
  608    HE2  TYR  17           HE2      TYR  17   2.865   0.808   0.955
  609    HH   TYR  17           HH       TYR  17   0.998  -1.266  -1.299
  610    H    ARG  18           H        ARG  18  10.150  -1.098  -0.200
  611    HA   ARG  18           HA       ARG  18  10.771  -0.727   2.664
  612   1HB   ARG  18          1HB       ARG  18  12.321  -2.067   0.417
  613   2HB   ARG  18          2HB       ARG  18  12.878  -1.946   2.096
  614   1HG   ARG  18          1HG       ARG  18  10.870  -3.178   2.882
  615   2HG   ARG  18          2HG       ARG  18  10.267  -3.247   1.225
  616   1HD   ARG  18          1HD       ARG  18  11.188  -5.350   1.585
  617   2HD   ARG  18          2HD       ARG  18  12.390  -4.502   0.599
  618    HE   ARG  18           HE       ARG  18  12.983  -4.147   3.388
  619   1HH1  ARG  18          1HH2      ARG  18  13.002  -6.612   0.881
  620   2HH1  ARG  18          2HH2      ARG  18  14.126  -7.668   1.688
  621   1HH2  ARG  18          1HH1      ARG  18  14.418  -5.529   4.521
  622   2HH2  ARG  18          2HH1      ARG  18  14.950  -7.031   3.818
  623    H    GLU  19           H        GLU  19  11.747   0.406  -0.489
  624    HA   GLU  19           HA       GLU  19  13.790   2.205   0.298
  625   1HB   GLU  19          1HB       GLU  19  13.046   1.352  -2.055
  626   2HB   GLU  19          2HB       GLU  19  11.910   2.710  -2.012
  627   1HG   GLU  19          1HG       GLU  19  13.859   4.253  -1.681
  628   2HG   GLU  19          2HG       GLU  19  14.948   2.857  -1.714
  629    H    ALA  20           H        ALA  20  10.216   2.684  -0.127
  630    HA   ALA  20           HA       ALA  20  10.426   5.442   0.698
  631   1HB   ALA  20          1HB       ALA  20   8.633   4.880  -0.757
  632   2HB   ALA  20          2HB       ALA  20   8.043   3.644   0.376
  633   3HB   ALA  20          3HB       ALA  20   7.942   5.371   0.794
  634    H    LEU  21           H        LEU  21   9.944   2.394   2.454
  635    HA   LEU  21           HA       LEU  21   8.760   3.102   4.754
  636   1HB   LEU  21          1HB       LEU  21   9.759   0.852   4.210
  637   2HB   LEU  21          2HB       LEU  21  11.341   1.505   4.650
  638    HG   LEU  21           HG       LEU  21  10.513   1.871   6.982
  639   1HD1  LEU  21          1HD1      LEU  21   8.067   2.010   6.570
  640   2HD1  LEU  21          2HD1      LEU  21   8.075   0.335   5.971
  641   3HD1  LEU  21          3HD1      LEU  21   8.432   0.681   7.673
  642   1HD2  LEU  21          1HD2      LEU  21  10.234  -0.964   5.889
  643   2HD2  LEU  21          2HD2      LEU  21  11.757  -0.168   6.340
  644   3HD2  LEU  21          3HD2      LEU  21  10.542  -0.525   7.582
  645    H    GLU  22           H        GLU  22  12.121   3.953   3.938
  646    HA   GLU  22           HA       GLU  22  12.637   5.127   6.553
  647   1HB   GLU  22          1HB       GLU  22  14.291   5.214   3.993
  648   2HB   GLU  22          2HB       GLU  22  14.785   5.778   5.597
  649   1HG   GLU  22          1HG       GLU  22  14.295   3.399   6.448
  650   2HG   GLU  22          2HG       GLU  22  14.189   2.913   4.746
  651    H    TYR  23           H        TYR  23  11.863   6.289   3.276
  652    HA   TYR  23           HA       TYR  23  12.180   9.097   3.793
  653   1HB   TYR  23          1HB       TYR  23  10.972   7.379   1.694
  654   2HB   TYR  23          2HB       TYR  23  10.113   8.879   1.944
  655    HD1  TYR  23           HD1      TYR  23  10.831  10.837   0.863
  656    HD2  TYR  23           HD2      TYR  23  13.606   7.577   1.403
  657    HE1  TYR  23           HE1      TYR  23  12.518  12.043  -0.492
  658    HE2  TYR  23           HE2      TYR  23  15.301   8.806   0.084
  659    HH   TYR  23           HH       TYR  23  15.784  10.734  -1.076
  660    H    VAL  24           H        VAL  24   9.552   6.800   4.349
  661    HA   VAL  24           HA       VAL  24   7.709   8.973   5.136
  662    HB   VAL  24           HB       VAL  24   7.245   5.982   4.971
  663   1HG1  VAL  24          1HG1      VAL  24   5.575   7.180   6.350
  664   2HG1  VAL  24          2HG1      VAL  24   5.350   8.385   5.080
  665   3HG1  VAL  24          3HG1      VAL  24   4.833   6.713   4.812
  666   1HG2  VAL  24          1HG2      VAL  24   6.519   8.126   2.945
  667   2HG2  VAL  24          2HG2      VAL  24   7.859   7.013   2.711
  668   3HG2  VAL  24          3HG2      VAL  24   6.207   6.396   2.794
  669    H    LYS  25           H        LYS  25   9.516   6.304   6.641
  670    HA   LYS  25           HA       LYS  25   9.718   5.533   8.730
  671   1HB   LYS  25          1HB       LYS  25   9.316   8.442   9.528
  672   2HB   LYS  25          2HB       LYS  25   9.822   7.127  10.589
  673   1HG   LYS  25          1HG       LYS  25  11.707   6.767   8.721
  674   2HG   LYS  25          2HG       LYS  25  11.353   8.465   8.373
  675   1HD   LYS  25          1HD       LYS  25  11.686   8.989  10.817
  676   2HD   LYS  25          2HD       LYS  25  12.061   7.276  11.109
  677   1HE   LYS  25          1HE       LYS  25  13.992   7.476   9.494
  678   2HE   LYS  25          2HE       LYS  25  13.665   9.215   9.388
  679   1HZ   LYS  25          1HZ       LYS  25  14.018   9.339  11.766
  680   2HZ   LYS  25          2HZ       LYS  25  14.349   7.726  11.831
  681   3HZ   LYS  25          3HZ       LYS  25  15.349   8.737  11.002
  682    H    LEU  26           H        LEU  26   7.638   4.417   8.144
  683    HA   LEU  26           HA       LEU  26   5.730   4.903  10.361
  684   1HB   LEU  26          1HB       LEU  26   5.214   5.415   7.619
  685   2HB   LEU  26          2HB       LEU  26   4.359   3.932   7.952
  686    HG   LEU  26           HG       LEU  26   3.968   6.105   9.991
  687   1HD1  LEU  26          1HD1      LEU  26   4.052   7.529   8.050
  688   2HD1  LEU  26          2HD1      LEU  26   3.003   6.432   7.125
  689   3HD1  LEU  26          3HD1      LEU  26   2.363   7.324   8.522
  690   1HD2  LEU  26          1HD2      LEU  26   2.031   4.396   8.365
  691   2HD2  LEU  26          2HD2      LEU  26   2.694   3.947   9.954
  692   3HD2  LEU  26          3HD2      LEU  26   1.636   5.363   9.795
  693    HA   PRO  27           HA       PRO  27   6.858   0.551  10.650
  694   1HB   PRO  27          1HB       PRO  27   5.187  -0.256  12.682
  695   2HB   PRO  27          2HB       PRO  27   6.670   0.704  12.940
  696   1HG   PRO  27          1HG       PRO  27   3.823   1.715  12.768
  697   2HG   PRO  27          2HG       PRO  27   5.069   2.141  13.972
  698   1HD   PRO  27          1HD       PRO  27   4.541   3.724  11.824
  699   2HD   PRO  27          2HD       PRO  27   6.213   3.534  12.425
  700    H    VAL  28           H        VAL  28   3.492   1.665  10.483
  701    HA   VAL  28           HA       VAL  28   2.159  -0.661   9.766
  702    HB   VAL  28           HB       VAL  28   1.616   2.086   8.711
  703   1HG1  VAL  28          1HG1      VAL  28   0.292   0.353   7.583
  704   2HG1  VAL  28          2HG1      VAL  28  -0.237  -0.291   9.149
  705   3HG1  VAL  28          3HG1      VAL  28  -0.744   1.329   8.623
  706   1HG2  VAL  28          1HG2      VAL  28   0.613   0.778  11.283
  707   2HG2  VAL  28          2HG2      VAL  28   1.707   2.175  11.207
  708   3HG2  VAL  28          3HG2      VAL  28   0.049   2.328  10.630
  709    H    LEU  29           H        LEU  29   4.269   1.393   7.764
  710    HA   LEU  29           HA       LEU  29   3.391   0.507   5.215
  711   1HB   LEU  29          1HB       LEU  29   5.570   2.118   6.368
  712   2HB   LEU  29          2HB       LEU  29   6.134   1.161   5.013
  713    HG   LEU  29           HG       LEU  29   3.586   2.814   4.829
  714   1HD1  LEU  29          1HD1      LEU  29   5.346   4.372   5.517
  715   2HD1  LEU  29          2HD1      LEU  29   6.452   3.716   4.291
  716   3HD1  LEU  29          3HD1      LEU  29   4.983   4.583   3.793
  717   1HD2  LEU  29          1HD2      LEU  29   5.686   1.921   2.816
  718   2HD2  LEU  29          2HD2      LEU  29   4.150   1.063   3.097
  719   3HD2  LEU  29          3HD2      LEU  29   4.141   2.710   2.432
  720    H    ALA  30           H        ALA  30   6.167  -0.664   7.201
  721    HA   ALA  30           HA       ALA  30   6.787  -2.882   5.523
  722   1HB   ALA  30          1HB       ALA  30   8.282  -2.048   7.314
  723   2HB   ALA  30          2HB       ALA  30   7.105  -2.559   8.545
  724   3HB   ALA  30          3HB       ALA  30   7.917  -3.771   7.529
  725    H    LYS  31           H        LYS  31   4.217  -2.431   7.942
  726    HA   LYS  31           HA       LYS  31   3.607  -5.298   8.040
  727   1HB   LYS  31          1HB       LYS  31   2.856  -2.961   9.519
  728   2HB   LYS  31          2HB       LYS  31   1.392  -3.537   8.733
  729   1HG   LYS  31          1HG       LYS  31   1.403  -4.558  10.807
  730   2HG   LYS  31          2HG       LYS  31   1.904  -5.853   9.724
  731   1HD   LYS  31          1HD       LYS  31   3.902  -4.127  11.300
  732   2HD   LYS  31          2HD       LYS  31   3.096  -5.536  12.004
  733   1HE   LYS  31          1HE       LYS  31   4.021  -6.948  10.120
  734   2HE   LYS  31          2HE       LYS  31   5.032  -5.562   9.653
  735   1HZ   LYS  31          1HZ       LYS  31   6.018  -5.609  11.794
  736   2HZ   LYS  31          2HZ       LYS  31   5.055  -6.862  12.274
  737   3HZ   LYS  31          3HZ       LYS  31   6.155  -7.085  11.072
  738    H    ILE  32           H        ILE  32   2.655  -2.603   6.041
  739    HA   ILE  32           HA       ILE  32   0.350  -3.890   4.822
  740    HB   ILE  32           HB       ILE  32   2.004  -1.388   4.264
  741   1HG1  ILE  32          1HG1      ILE  32  -0.973  -1.696   4.813
  742   2HG1  ILE  32          2HG1      ILE  32   0.219  -1.488   6.087
  743   1HG2  ILE  32          1HG2      ILE  32   1.557  -2.158   2.064
  744   2HG2  ILE  32          2HG2      ILE  32  -0.058  -2.716   2.512
  745   3HG2  ILE  32          3HG2      ILE  32   0.291  -0.979   2.379
  746   1HD1  ILE  32          1HD1      ILE  32   0.916   0.682   5.105
  747   2HD1  ILE  32          2HD1      ILE  32  -0.321   0.513   3.842
  748   3HD1  ILE  32          3HD1      ILE  32  -0.806   0.654   5.528
  749    H    LEU  33           H        LEU  33   3.762  -3.151   3.963
  750    HA   LEU  33           HA       LEU  33   3.653  -4.548   1.464
  751   1HB   LEU  33          1HB       LEU  33   5.842  -3.921   1.226
  752   2HB   LEU  33          2HB       LEU  33   5.286  -2.762   2.436
  753    HG   LEU  33           HG       LEU  33   6.212  -4.316   4.161
  754   1HD1  LEU  33          1HD1      LEU  33   6.983  -6.307   3.607
  755   2HD1  LEU  33          2HD1      LEU  33   6.800  -5.958   1.876
  756   3HD1  LEU  33          3HD1      LEU  33   8.299  -5.522   2.721
  757   1HD2  LEU  33          1HD2      LEU  33   8.125  -3.101   2.144
  758   2HD2  LEU  33          2HD2      LEU  33   7.249  -2.178   3.387
  759   3HD2  LEU  33          3HD2      LEU  33   8.468  -3.373   3.869
  760    H    GLU  34           H        GLU  34   4.402  -5.700   4.801
  761    HA   GLU  34           HA       GLU  34   5.229  -8.291   4.005
  762   1HB   GLU  34          1HB       GLU  34   5.242  -7.182   6.386
  763   2HB   GLU  34          2HB       GLU  34   3.579  -7.720   6.499
  764   1HG   GLU  34          1HG       GLU  34   4.694 -10.067   5.735
  765   2HG   GLU  34          2HG       GLU  34   6.134  -9.319   6.431
  766    H    ASP  35           H        ASP  35   2.018  -7.014   4.907
  767    HA   ASP  35           HA       ASP  35   0.566  -9.427   4.552
  768   1HB   ASP  35          1HB       ASP  35  -0.285  -7.265   5.564
  769   2HB   ASP  35          2HB       ASP  35  -0.506  -6.657   3.913
  770    H    GLU  36           H        GLU  36   1.163  -6.776   2.204
  771    HA   GLU  36           HA       GLU  36   0.042  -8.024  -0.061
  772   1HB   GLU  36          1HB       GLU  36   2.413  -6.120   0.127
  773   2HB   GLU  36          2HB       GLU  36   1.547  -6.514  -1.364
  774   1HG   GLU  36          1HG       GLU  36   0.197  -5.163   1.023
  775   2HG   GLU  36          2HG       GLU  36   0.954  -4.342  -0.359
  776    H    GLU  37           H        GLU  37   3.444  -8.390   1.293
  777    HA   GLU  37           HA       GLU  37   4.596  -9.599  -0.844
  778   1HB   GLU  37          1HB       GLU  37   5.815  -8.661   1.053
  779   2HB   GLU  37          2HB       GLU  37   4.919  -9.648   2.193
  780   1HG   GLU  37          1HG       GLU  37   5.755 -11.598   1.489
  781   2HG   GLU  37          2HG       GLU  37   6.544 -10.844   0.068
  782    H    LYS  38           H        LYS  38   2.501 -10.890   1.804
  783    HA   LYS  38           HA       LYS  38   2.830 -13.611   0.907
  784   1HB   LYS  38          1HB       LYS  38   1.927 -12.587   3.229
  785   2HB   LYS  38          2HB       LYS  38   0.369 -12.724   2.406
  786   1HG   LYS  38          1HG       LYS  38   0.659 -14.793   3.569
  787   2HG   LYS  38          2HG       LYS  38   1.035 -15.150   1.876
  788   1HD   LYS  38          1HD       LYS  38   3.547 -14.518   2.704
  789   2HD   LYS  38          2HD       LYS  38   2.879 -14.915   4.281
  790   1HE   LYS  38          1HE       LYS  38   2.291 -17.181   3.487
  791   2HE   LYS  38          2HE       LYS  38   2.742 -16.747   1.827
  792   1HZ   LYS  38          1HZ       LYS  38   4.980 -16.429   2.559
  793   2HZ   LYS  38          2HZ       LYS  38   4.590 -16.872   4.099
  794   3HZ   LYS  38          3HZ       LYS  38   4.468 -17.959   2.861
  795    H    HIS  39           H        HIS  39   0.353 -11.135   0.213
  796    HA   HIS  39           HA       HIS  39  -1.280 -12.806  -1.423
  797   1HB   HIS  39          1HB       HIS  39  -0.854  -9.829  -1.141
  798   2HB   HIS  39          2HB       HIS  39  -1.663 -10.401  -2.581
  799    HD1  HIS  39           HD1      HIS  39  -3.758 -12.217  -2.024
  800    HD2  HIS  39           HD2      HIS  39  -2.336  -9.778   1.091
  801    HE1  HIS  39           HE1      HIS  39  -5.452 -12.441  -0.172
  802    HE2  HIS  39           HE2      HIS  39  -4.606 -10.877   1.759
  803    H    ILE  40           H        ILE  40   1.634 -10.982  -2.207
  804    HA   ILE  40           HA       ILE  40   1.560 -11.593  -5.042
  805    HB   ILE  40           HB       ILE  40   3.756 -10.553  -3.212
  806   1HG1  ILE  40          1HG1      ILE  40   2.069  -8.958  -5.169
  807   2HG1  ILE  40          2HG1      ILE  40   1.475  -9.209  -3.572
  808   1HG2  ILE  40          1HG2      ILE  40   4.737 -11.464  -5.286
  809   2HG2  ILE  40          2HG2      ILE  40   3.542 -10.592  -6.260
  810   3HG2  ILE  40          3HG2      ILE  40   4.783  -9.707  -5.348
  811   1HD1  ILE  40          1HD1      ILE  40   3.392  -8.209  -2.505
  812   2HD1  ILE  40          2HD1      ILE  40   4.193  -7.939  -4.048
  813   3HD1  ILE  40          3HD1      ILE  40   2.681  -7.083  -3.674
  814    H    GLU  41           H        GLU  41   3.143 -12.936  -2.161
  815    HA   GLU  41           HA       GLU  41   4.854 -14.796  -3.308
  816   1HB   GLU  41          1HB       GLU  41   4.737 -14.223  -0.914
  817   2HB   GLU  41          2HB       GLU  41   3.245 -15.163  -0.751
  818   1HG   GLU  41          1HG       GLU  41   5.566 -16.573  -1.996
  819   2HG   GLU  41          2HG       GLU  41   5.794 -16.042  -0.325
  820    H    TRP  42           H        TRP  42   1.299 -14.963  -2.804
  821    HA   TRP  42           HA       TRP  42   0.803 -17.576  -3.457
  822   1HB   TRP  42          1HB       TRP  42  -0.724 -15.559  -2.845
  823   2HB   TRP  42          2HB       TRP  42  -0.819 -15.294  -4.584
  824    HD1  TRP  42           HD1      TRP  42  -1.988 -17.549  -1.839
  825    HE1  TRP  42           HE1      TRP  42  -3.617 -19.334  -2.731
  826    HE3  TRP  42           HE3      TRP  42  -1.394 -16.650  -6.759
  827    HZ2  TRP  42           HZ2      TRP  42  -4.407 -20.370  -5.373
  828    HZ3  TRP  42           HZ3      TRP  42  -2.603 -18.015  -8.495
  829    HH2  TRP  42           HH2      TRP  42  -4.002 -19.943  -7.789
  830    H    LEU  43           H        LEU  43   1.526 -14.889  -5.673
  831    HA   LEU  43           HA       LEU  43   1.225 -16.497  -8.124
  832   1HB   LEU  43          1HB       LEU  43   2.283 -13.706  -7.586
  833   2HB   LEU  43          2HB       LEU  43   2.270 -14.469  -9.172
  834    HG   LEU  43           HG       LEU  43  -0.382 -14.735  -8.178
  835   1HD1  LEU  43          1HD1      LEU  43   0.096 -12.994  -6.497
  836   2HD1  LEU  43          2HD1      LEU  43   0.701 -11.913  -7.766
  837   3HD1  LEU  43          3HD1      LEU  43  -1.012 -12.374  -7.736
  838   1HD2  LEU  43          1HD2      LEU  43   0.796 -12.764 -10.191
  839   2HD2  LEU  43          2HD2      LEU  43   0.258 -14.412 -10.548
  840   3HD2  LEU  43          3HD2      LEU  43  -0.919 -13.181 -10.048
  841    H    GLU  44           H        GLU  44   3.824 -15.164  -6.070
  842    HA   GLU  44           HA       GLU  44   5.978 -16.432  -7.545
  843   1HB   GLU  44          1HB       GLU  44   5.633 -14.514  -5.378
  844   2HB   GLU  44          2HB       GLU  44   6.799 -15.703  -4.861
  845   1HG   GLU  44          1HG       GLU  44   7.221 -14.645  -7.628
  846   2HG   GLU  44          2HG       GLU  44   7.298 -13.460  -6.324
  847    H    THR  45           H        THR  45   3.830 -18.270  -6.555
  848    HA   THR  45           HA       THR  45   5.683 -20.358  -5.670
  849    HB   THR  45           HB       THR  45   4.777 -19.033  -3.664
  850    HG1  THR  45           HG1      THR  45   5.028 -20.801  -2.456
  851   1HG2  THR  45          1HG2      THR  45   2.418 -18.994  -4.203
  852   2HG2  THR  45          2HG2      THR  45   2.321 -20.752  -3.995
  853   3HG2  THR  45          3HG2      THR  45   2.738 -19.700  -2.628
  854    H    ILE  46           H        ILE  46   2.371 -19.381  -6.209
  855    HA   ILE  46           HA       ILE  46   0.598 -20.322  -7.188
  856    HB   ILE  46           HB       ILE  46   1.806 -19.282  -8.978
  857   1HG1  ILE  46          1HG1      ILE  46   0.802 -20.233 -10.897
  858   2HG1  ILE  46          2HG1      ILE  46   0.565 -21.803 -10.123
  859   1HG2  ILE  46          1HG2      ILE  46   3.918 -20.417  -9.062
  860   2HG2  ILE  46          2HG2      ILE  46   3.147 -21.953  -9.520
  861   3HG2  ILE  46          3HG2      ILE  46   3.139 -20.573 -10.631
  862   1HD1  ILE  46          1HD1      ILE  46  -1.081 -20.826  -8.584
  863   2HD1  ILE  46          2HD1      ILE  46  -0.684 -19.192  -9.180
  864   3HD1  ILE  46          3HD1      ILE  46  -1.497 -20.363 -10.242
  865    H    LEU  47           H        LEU  47   1.213 -21.940  -5.305
  866    HA   LEU  47           HA       LEU  47   1.776 -24.634  -6.177
  867   1HB   LEU  47          1HB       LEU  47   1.969 -23.145  -3.761
  868   2HB   LEU  47          2HB       LEU  47   0.821 -24.403  -3.393
  869    HG   LEU  47           HG       LEU  47   3.010 -25.090  -2.790
  870   1HD1  LEU  47          1HD1      LEU  47   1.509 -26.838  -3.719
  871   2HD1  LEU  47          2HD1      LEU  47   2.282 -26.646  -5.309
  872   3HD1  LEU  47          3HD1      LEU  47   3.231 -27.210  -3.925
  873   1HD2  LEU  47          1HD2      LEU  47   3.941 -24.680  -5.664
  874   2HD2  LEU  47          2HD2      LEU  47   4.301 -23.618  -4.293
  875   3HD2  LEU  47          3HD2      LEU  47   4.894 -25.287  -4.302
  876    H    GLY  48           H        GLY  48  -0.180 -24.263  -7.730
  877   1HA   GLY  48          1HA       GLY  48  -2.207 -26.138  -7.194
  878   2HA   GLY  48          2HA       GLY  48  -2.832 -24.565  -6.657
  879   1HN   NH2  49          1HN       NH2  49  -1.045 -26.021  -9.454
  880   2HN   NH2  49          2HN       NH2  49  -1.931 -25.108 -10.704
  Start of MODEL   12
    1   1H    ACE   0          H1        ACE   0   8.263  17.545  -5.225
    2   2H    ACE   0          H2        ACE   0   7.116  18.868  -4.947
    3   3H    ACE   0          H3        ACE   0   6.522  17.264  -5.426
    4    H    ASP   1           H        ASP   1   5.461  18.450  -3.202
    5    HA   ASP   1           HA       ASP   1   6.836  17.334  -0.805
    6   1HB   ASP   1          1HB       ASP   1   6.140  19.709  -0.827
    7   2HB   ASP   1          2HB       ASP   1   4.446  19.222  -0.959
    8    H    TYR   2           H        TYR   2   3.436  17.633  -1.868
    9    HA   TYR   2           HA       TYR   2   2.172  15.619  -0.562
   10   1HB   TYR   2          1HB       TYR   2   0.814  16.839  -1.923
   11   2HB   TYR   2          2HB       TYR   2   1.944  16.835  -3.279
   12    HD1  TYR   2           HD1      TYR   2   0.145  14.104  -1.449
   13    HD2  TYR   2           HD2      TYR   2   0.746  16.186  -5.159
   14    HE1  TYR   2           HE1      TYR   2  -1.368  12.511  -2.586
   15    HE2  TYR   2           HE2      TYR   2  -0.712  14.562  -6.308
   16    HH   TYR   2           HH       TYR   2  -2.055  11.697  -4.670
   17    H    LEU   3           H        LEU   3   3.657  15.090  -3.757
   18    HA   LEU   3           HA       LEU   3   3.595  12.235  -3.265
   19   1HB   LEU   3          1HB       LEU   3   4.428  12.166  -5.747
   20   2HB   LEU   3          2HB       LEU   3   2.760  12.356  -5.228
   21    HG   LEU   3           HG       LEU   3   2.850  14.746  -5.519
   22   1HD1  LEU   3          1HD1      LEU   3   5.304  15.133  -5.231
   23   2HD1  LEU   3          2HD1      LEU   3   5.603  14.275  -6.756
   24   3HD1  LEU   3          3HD1      LEU   3   4.711  15.811  -6.759
   25   1HD2  LEU   3          1HD2      LEU   3   3.648  13.179  -8.001
   26   2HD2  LEU   3          2HD2      LEU   3   2.013  13.313  -7.321
   27   3HD2  LEU   3          3HD2      LEU   3   2.812  14.745  -7.983
   28    H    ARG   4           H        ARG   4   5.401  13.515  -1.570
   29    HA   ARG   4           HA       ARG   4   8.114  13.311  -2.246
   30   1HB   ARG   4          1HB       ARG   4   6.436  12.924   0.241
   31   2HB   ARG   4          2HB       ARG   4   8.089  12.347   0.308
   32   1HG   ARG   4          1HG       ARG   4   7.859  15.082  -0.831
   33   2HG   ARG   4          2HG       ARG   4   7.272  14.943   0.830
   34   1HD   ARG   4          1HD       ARG   4   9.704  15.525   0.654
   35   2HD   ARG   4          2HD       ARG   4   9.323  14.082   1.624
   36    HE   ARG   4           HE       ARG   4   9.918  13.511  -1.179
   37   1HH1  ARG   4          1HH2      ARG   4  11.403  14.123   1.946
   38   2HH1  ARG   4          2HH2      ARG   4  12.739  13.029   1.712
   39   1HH2  ARG   4          1HH1      ARG   4  11.582  12.028  -1.512
   40   2HH2  ARG   4          2HH1      ARG   4  12.873  11.834  -0.353
   41    H    GLU   5           H        GLU   5   5.903  10.799  -1.120
   42    HA   GLU   5           HA       GLU   5   7.858   8.654  -1.944
   43   1HB   GLU   5          1HB       GLU   5   5.747   8.705   0.252
   44   2HB   GLU   5          2HB       GLU   5   6.651   7.273  -0.265
   45   1HG   GLU   5          1HG       GLU   5   8.795   8.423   0.276
   46   2HG   GLU   5          2HG       GLU   5   7.896   9.836   0.840
   47    H    LEU   6           H        LEU   6   4.669   9.935  -2.457
   48    HA   LEU   6           HA       LEU   6   3.308   7.518  -2.992
   49   1HB   LEU   6          1HB       LEU   6   2.627  10.341  -3.823
   50   2HB   LEU   6          2HB       LEU   6   1.583   8.935  -3.969
   51    HG   LEU   6           HG       LEU   6   1.163   8.715  -1.699
   52   1HD1  LEU   6          1HD1      LEU   6   3.358   9.174  -0.667
   53   2HD1  LEU   6          2HD1      LEU   6   3.260  10.871  -1.172
   54   3HD1  LEU   6          3HD1      LEU   6   2.127  10.224   0.026
   55   1HD2  LEU   6          1HD2      LEU   6   1.054  11.644  -2.041
   56   2HD2  LEU   6          2HD2      LEU   6   0.222  10.600  -3.216
   57   3HD2  LEU   6          3HD2      LEU   6  -0.187  10.461  -1.524
   58    H    LEU   7           H        LEU   7   5.753   8.790  -4.841
   59    HA   LEU   7           HA       LEU   7   4.659   7.706  -7.321
   60   1HB   LEU   7          1HB       LEU   7   5.190  10.096  -7.414
   61   2HB   LEU   7          2HB       LEU   7   6.856   9.795  -6.918
   62    HG   LEU   7           HG       LEU   7   5.768   8.403  -9.372
   63   1HD1  LEU   7          1HD1      LEU   7   5.071  10.767  -9.625
   64   2HD1  LEU   7          2HD1      LEU   7   6.738  11.292  -9.309
   65   3HD1  LEU   7          3HD1      LEU   7   6.356  10.351 -10.769
   66   1HD2  LEU   7          1HD2      LEU   7   8.511   9.532  -8.657
   67   2HD2  LEU   7          2HD2      LEU   7   8.066   7.815  -8.729
   68   3HD2  LEU   7          3HD2      LEU   7   8.091   8.770 -10.205
   69    H    LYS   8           H        LYS   8   7.612   7.872  -5.304
   70    HA   LYS   8           HA       LYS   8   8.974   6.186  -7.075
   71   1HB   LYS   8          1HB       LYS   8   9.999   7.854  -5.416
   72   2HB   LYS   8          2HB       LYS   8   9.679   6.657  -4.146
   73   1HG   LYS   8          1HG       LYS   8  11.045   4.996  -5.569
   74   2HG   LYS   8          2HG       LYS   8  11.474   6.374  -6.599
   75   1HD   LYS   8          1HD       LYS   8  12.435   7.522  -4.573
   76   2HD   LYS   8          2HD       LYS   8  12.017   6.094  -3.601
   77   1HE   LYS   8          1HE       LYS   8  13.453   4.690  -5.146
   78   2HE   LYS   8          2HE       LYS   8  13.949   6.181  -5.971
   79   1HZ   LYS   8          1HZ       LYS   8  14.832   6.947  -3.874
   80   2HZ   LYS   8          2HZ       LYS   8  14.383   5.542  -3.137
   81   3HZ   LYS   8          3HZ       LYS   8  15.522   5.519  -4.324
   82    H    LEU   9           H        LEU   9   7.187   5.610  -4.075
   83    HA   LEU   9           HA       LEU   9   8.017   2.789  -3.881
   84   1HB   LEU   9          1HB       LEU   9   5.623   4.239  -2.682
   85   2HB   LEU   9          2HB       LEU   9   6.116   2.578  -2.312
   86    HG   LEU   9           HG       LEU   9   7.828   5.039  -1.761
   87   1HD1  LEU   9          1HD1      LEU   9   5.755   4.993  -0.405
   88   2HD1  LEU   9          2HD1      LEU   9   6.128   3.338   0.115
   89   3HD1  LEU   9          3HD1      LEU   9   7.190   4.680   0.590
   90   1HD2  LEU   9          1HD2      LEU   9   8.115   2.107  -0.934
   91   2HD2  LEU   9          2HD2      LEU   9   9.210   3.004  -2.011
   92   3HD2  LEU   9          3HD2      LEU   9   9.100   3.442  -0.306
   93    H    GLU  10           H        GLU  10   5.299   4.664  -5.159
   94    HA   GLU  10           HA       GLU  10   3.640   2.625  -6.030
   95   1HB   GLU  10          1HB       GLU  10   4.171   5.537  -6.632
   96   2HB   GLU  10          2HB       GLU  10   3.241   4.776  -7.842
   97   1HG   GLU  10          1HG       GLU  10   1.679   5.653  -6.320
   98   2HG   GLU  10          2HG       GLU  10   1.689   3.938  -5.930
   99    H    LEU  11           H        LEU  11   6.302   4.196  -7.880
  100    HA   LEU  11           HA       LEU  11   6.029   2.491 -10.188
  101   1HB   LEU  11          1HB       LEU  11   7.283   4.622 -10.226
  102   2HB   LEU  11          2HB       LEU  11   8.358   4.050  -8.948
  103    HG   LEU  11           HG       LEU  11   9.297   2.327 -10.499
  104   1HD1  LEU  11          1HD1      LEU  11   7.399   2.072 -12.062
  105   2HD1  LEU  11          2HD1      LEU  11   7.578   3.764 -12.574
  106   3HD1  LEU  11          3HD1      LEU  11   8.853   2.580 -12.931
  107   1HD2  LEU  11          1HD2      LEU  11   9.420   5.208 -11.465
  108   2HD2  LEU  11          2HD2      LEU  11  10.391   4.493 -10.159
  109   3HD2  LEU  11          3HD2      LEU  11  10.602   3.930 -11.826
  110    H    GLN  12           H        GLN  12   8.216   2.226  -7.304
  111    HA   GLN  12           HA       GLN  12   9.636   0.009  -8.161
  112   1HB   GLN  12          1HB       GLN  12  10.184   1.419  -6.259
  113   2HB   GLN  12          2HB       GLN  12   8.769   0.872  -5.361
  114   1HG   GLN  12          1HG       GLN  12  10.732  -1.210  -6.329
  115   2HG   GLN  12          2HG       GLN  12  11.228  -0.107  -5.042
  116   1HE2  GLN  12          2HE2      GLN  12   9.327   0.207  -3.285
  117   2HE2  GLN  12          1HE2      GLN  12   8.706  -1.329  -2.701
  118    H    LEU  13           H        LEU  13   6.428   0.092  -6.643
  119    HA   LEU  13           HA       LEU  13   6.256  -2.681  -6.058
  120   1HB   LEU  13          1HB       LEU  13   3.955  -0.783  -6.713
  121   2HB   LEU  13          2HB       LEU  13   3.872  -2.358  -5.938
  122    HG   LEU  13           HG       LEU  13   4.491   0.301  -4.832
  123   1HD1  LEU  13          1HD1      LEU  13   2.531  -1.147  -4.309
  124   2HD1  LEU  13          2HD1      LEU  13   3.631  -2.344  -3.586
  125   3HD1  LEU  13          3HD1      LEU  13   3.516  -0.720  -2.890
  126   1HD2  LEU  13          1HD2      LEU  13   6.061  -2.122  -3.779
  127   2HD2  LEU  13          2HD2      LEU  13   6.777  -0.630  -4.419
  128   3HD2  LEU  13          3HD2      LEU  13   5.851  -0.571  -2.932
  129    H    ILE  14           H        ILE  14   5.002  -0.760  -8.832
  130    HA   ILE  14           HA       ILE  14   3.934  -3.005 -10.282
  131    HB   ILE  14           HB       ILE  14   4.797  -0.153 -10.915
  132   1HG1  ILE  14          1HG1      ILE  14   2.490   0.135 -11.409
  133   2HG1  ILE  14          2HG1      ILE  14   2.191  -1.599 -11.580
  134   1HG2  ILE  14          1HG2      ILE  14   5.552  -1.376 -12.931
  135   2HG2  ILE  14          2HG2      ILE  14   3.979  -2.202 -13.040
  136   3HG2  ILE  14          3HG2      ILE  14   4.097  -0.449 -13.269
  137   1HD1  ILE  14          1HD1      ILE  14   2.344  -1.932  -9.161
  138   2HD1  ILE  14          2HD1      ILE  14   2.825  -0.233  -8.940
  139   3HD1  ILE  14          3HD1      ILE  14   1.209  -0.652  -9.535
  140    H    LYS  15           H        LYS  15   7.166  -1.535 -10.232
  141    HA   LYS  15           HA       LYS  15   8.372  -3.363 -12.049
  142   1HB   LYS  15          1HB       LYS  15   9.201  -1.217 -10.431
  143   2HB   LYS  15          2HB       LYS  15   9.980  -2.582  -9.674
  144   1HG   LYS  15          1HG       LYS  15  11.484  -1.626 -11.226
  145   2HG   LYS  15          2HG       LYS  15  10.974  -3.161 -11.947
  146   1HD   LYS  15          1HD       LYS  15   9.473  -2.036 -13.491
  147   2HD   LYS  15          2HD       LYS  15   9.579  -0.510 -12.610
  148   1HE   LYS  15          1HE       LYS  15  11.933  -1.814 -14.059
  149   2HE   LYS  15          2HE       LYS  15  10.884  -0.570 -14.759
  150   1HZ   LYS  15          1HZ       LYS  15  11.520   0.900 -12.995
  151   2HZ   LYS  15          2HZ       LYS  15  12.529  -0.232 -12.353
  152   3HZ   LYS  15          3HZ       LYS  15  12.838   0.395 -13.845
  153    H    GLN  16           H        GLN  16   7.939  -3.642  -8.486
  154    HA   GLN  16           HA       GLN  16   9.347  -6.167  -8.400
  155   1HB   GLN  16          1HB       GLN  16   8.237  -4.272  -6.489
  156   2HB   GLN  16          2HB       GLN  16   7.654  -5.884  -6.097
  157   1HG   GLN  16          1HG       GLN  16   9.757  -5.343  -4.949
  158   2HG   GLN  16          2HG       GLN  16   9.900  -6.755  -6.007
  159   1HE2  GLN  16          2HE2      GLN  16  12.041  -6.752  -6.673
  160   2HE2  GLN  16          1HE2      GLN  16  12.830  -5.354  -7.373
  161    H    TYR  17           H        TYR  17   6.048  -5.276  -8.977
  162    HA   TYR  17           HA       TYR  17   4.833  -7.844  -8.442
  163   1HB   TYR  17          1HB       TYR  17   4.068  -5.244  -9.647
  164   2HB   TYR  17          2HB       TYR  17   3.334  -6.595 -10.432
  165    HD1  TYR  17           HD1      TYR  17   3.750  -5.021  -7.070
  166    HD2  TYR  17           HD2      TYR  17   1.504  -7.802  -9.473
  167    HE1  TYR  17           HE1      TYR  17   1.814  -4.735  -5.588
  168    HE2  TYR  17           HE2      TYR  17  -0.456  -7.495  -7.986
  169    HH   TYR  17           HH       TYR  17  -0.543  -4.865  -5.609
  170    H    ARG  18           H        ARG  18   6.558  -6.384 -11.155
  171    HA   ARG  18           HA       ARG  18   5.790  -8.494 -13.052
  172   1HB   ARG  18          1HB       ARG  18   7.914  -6.320 -13.190
  173   2HB   ARG  18          2HB       ARG  18   7.617  -7.514 -14.462
  174   1HG   ARG  18          1HG       ARG  18   5.298  -6.756 -14.713
  175   2HG   ARG  18          2HG       ARG  18   5.501  -5.596 -13.390
  176   1HD   ARG  18          1HD       ARG  18   7.257  -4.423 -14.674
  177   2HD   ARG  18          2HD       ARG  18   7.036  -5.572 -16.023
  178    HE   ARG  18           HE       ARG  18   4.522  -4.426 -15.326
  179   1HH1  ARG  18          1HH2      ARG  18   7.586  -3.507 -16.793
  180   2HH1  ARG  18          2HH2      ARG  18   6.923  -2.201 -17.739
  181   1HH2  ARG  18          1HH1      ARG  18   3.614  -2.735 -16.544
  182   2HH2  ARG  18          2HH1      ARG  18   4.595  -1.749 -17.588
  183    H    GLU  19           H        GLU  19   8.544  -7.614 -11.085
  184    HA   GLU  19           HA       GLU  19  10.242  -9.795 -11.600
  185   1HB   GLU  19          1HB       GLU  19  10.686  -7.701 -10.186
  186   2HB   GLU  19          2HB       GLU  19   9.887  -8.566  -8.860
  187   1HG   GLU  19          1HG       GLU  19  11.561 -10.378  -9.029
  188   2HG   GLU  19          2HG       GLU  19  12.336  -9.537 -10.385
  189    H    ALA  20           H        ALA  20   7.502  -9.553  -9.244
  190    HA   ALA  20           HA       ALA  20   7.902 -12.322  -8.347
  191   1HB   ALA  20          1HB       ALA  20   7.034 -10.857  -6.811
  192   2HB   ALA  20          2HB       ALA  20   5.793 -10.227  -7.931
  193   3HB   ALA  20          3HB       ALA  20   5.644 -11.868  -7.249
  194    H    LEU  21           H        LEU  21   5.964 -10.852 -10.954
  195    HA   LEU  21           HA       LEU  21   3.987 -12.701 -11.196
  196   1HB   LEU  21          1HB       LEU  21   4.353 -10.646 -12.558
  197   2HB   LEU  21          2HB       LEU  21   5.464 -11.537 -13.602
  198    HG   LEU  21           HG       LEU  21   2.700 -12.661 -13.091
  199   1HD1  LEU  21          1HD1      LEU  21   2.327 -10.243 -13.568
  200   2HD1  LEU  21          2HD1      LEU  21   3.243 -10.415 -15.076
  201   3HD1  LEU  21          3HD1      LEU  21   1.732 -11.324 -14.842
  202   1HD2  LEU  21          1HD2      LEU  21   4.408 -12.572 -15.608
  203   2HD2  LEU  21          2HD2      LEU  21   4.204 -13.984 -14.553
  204   3HD2  LEU  21          3HD2      LEU  21   2.822 -13.350 -15.442
  205    H    GLU  22           H        GLU  22   7.307 -13.178 -12.255
  206    HA   GLU  22           HA       GLU  22   6.816 -15.650 -13.720
  207   1HB   GLU  22          1HB       GLU  22   9.355 -15.812 -13.603
  208   2HB   GLU  22          2HB       GLU  22   8.685 -14.452 -14.516
  209   1HG   GLU  22          1HG       GLU  22   9.167 -12.893 -12.781
  210   2HG   GLU  22          2HG       GLU  22   9.522 -14.183 -11.610
  211    H    TYR  23           H        TYR  23   7.669 -14.765 -10.396
  212    HA   TYR  23           HA       TYR  23   8.400 -17.466  -9.607
  213   1HB   TYR  23          1HB       TYR  23   7.865 -14.806  -8.227
  214   2HB   TYR  23          2HB       TYR  23   7.980 -16.264  -7.313
  215    HD1  TYR  23           HD1      TYR  23  10.112 -17.807  -7.856
  216    HD2  TYR  23           HD2      TYR  23   9.863 -13.556  -8.536
  217    HE1  TYR  23           HE1      TYR  23  12.576 -17.622  -7.659
  218    HE2  TYR  23           HE2      TYR  23  12.310 -13.377  -8.336
  219    HH   TYR  23           HH       TYR  23  14.280 -14.502  -7.970
  220    H    VAL  24           H        VAL  24   5.516 -15.399  -9.618
  221    HA   VAL  24           HA       VAL  24   4.002 -17.392  -8.049
  222    HB   VAL  24           HB       VAL  24   3.150 -14.739  -9.228
  223   1HG1  VAL  24          1HG1      VAL  24   1.178 -16.113  -8.771
  224   2HG1  VAL  24          2HG1      VAL  24   1.830 -16.606  -7.198
  225   3HG1  VAL  24          3HG1      VAL  24   1.331 -14.931  -7.468
  226   1HG2  VAL  24          1HG2      VAL  24   3.961 -15.476  -6.375
  227   2HG2  VAL  24          2HG2      VAL  24   4.955 -14.517  -7.480
  228   3HG2  VAL  24          3HG2      VAL  24   3.404 -13.885  -6.927
  229    H    LYS  25           H        LYS  25   4.352 -16.482 -11.411
  230    HA   LYS  25           HA       LYS  25   3.402 -17.122 -13.335
  231   1HB   LYS  25          1HB       LYS  25   3.302 -19.825 -11.950
  232   2HB   LYS  25          2HB       LYS  25   3.143 -19.520 -13.690
  233   1HG   LYS  25          1HG       LYS  25   5.449 -18.252 -13.390
  234   2HG   LYS  25          2HG       LYS  25   5.593 -19.256 -11.941
  235   1HD   LYS  25          1HD       LYS  25   5.127 -20.202 -14.819
  236   2HD   LYS  25          2HD       LYS  25   6.661 -20.281 -13.936
  237   1HE   LYS  25          1HE       LYS  25   5.716 -21.870 -12.326
  238   2HE   LYS  25          2HE       LYS  25   4.112 -21.742 -13.067
  239   1HZ   LYS  25          1HZ       LYS  25   4.983 -22.654 -15.063
  240   2HZ   LYS  25          2HZ       LYS  25   6.497 -22.770 -14.418
  241   3HZ   LYS  25          3HZ       LYS  25   5.264 -23.676 -13.803
  242    H    LEU  26           H        LEU  26   1.539 -15.689 -12.526
  243    HA   LEU  26           HA       LEU  26  -0.903 -17.228 -13.142
  244   1HB   LEU  26          1HB       LEU  26  -0.224 -16.159 -10.523
  245   2HB   LEU  26          2HB       LEU  26  -1.638 -15.314 -11.122
  246    HG   LEU  26           HG       LEU  26  -1.596 -18.329 -11.363
  247   1HD1  LEU  26          1HD1      LEU  26  -0.774 -18.013  -9.106
  248   2HD1  LEU  26          2HD1      LEU  26  -2.053 -16.833  -8.757
  249   3HD1  LEU  26          3HD1      LEU  26  -2.466 -18.534  -9.057
  250   1HD2  LEU  26          1HD2      LEU  26  -3.770 -16.372 -10.509
  251   2HD2  LEU  26          2HD2      LEU  26  -3.493 -16.826 -12.203
  252   3HD2  LEU  26          3HD2      LEU  26  -3.987 -18.053 -11.022
  253    HA   PRO  27           HA       PRO  27  -1.245 -13.450 -15.584
  254   1HB   PRO  27          1HB       PRO  27  -3.784 -13.778 -16.591
  255   2HB   PRO  27          2HB       PRO  27  -2.324 -14.563 -17.254
  256   1HG   PRO  27          1HG       PRO  27  -4.346 -15.734 -15.334
  257   2HG   PRO  27          2HG       PRO  27  -3.650 -16.492 -16.796
  258   1HD   PRO  27          1HD       PRO  27  -2.707 -17.053 -14.327
  259   2HD   PRO  27          2HD       PRO  27  -1.576 -16.899 -15.698
  260    H    VAL  28           H        VAL  28  -3.358 -14.549 -12.924
  261    HA   VAL  28           HA       VAL  28  -4.747 -12.144 -12.481
  262    HB   VAL  28           HB       VAL  28  -3.586 -13.951 -10.397
  263   1HG1  VAL  28          1HG1      VAL  28  -4.116 -11.821  -9.355
  264   2HG1  VAL  28          2HG1      VAL  28  -5.655 -11.716 -10.238
  265   3HG1  VAL  28          3HG1      VAL  28  -5.440 -12.916  -8.968
  266   1HG2  VAL  28          1HG2      VAL  28  -6.472 -13.806 -11.379
  267   2HG2  VAL  28          2HG2      VAL  28  -5.335 -15.088 -11.856
  268   3HG2  VAL  28          3HG2      VAL  28  -5.814 -14.905 -10.161
  269    H    LEU  29           H        LEU  29  -1.186 -12.777 -12.089
  270    HA   LEU  29           HA       LEU  29  -0.859 -10.453 -10.393
  271   1HB   LEU  29          1HB       LEU  29   0.889 -12.432 -11.832
  272   2HB   LEU  29          2HB       LEU  29   1.561 -10.868 -11.455
  273    HG   LEU  29           HG       LEU  29   1.930 -12.722  -9.800
  274   1HD1  LEU  29          1HD1      LEU  29   2.313 -10.337  -9.241
  275   2HD1  LEU  29          2HD1      LEU  29   0.624 -10.177  -8.717
  276   3HD1  LEU  29          3HD1      LEU  29   1.728 -11.243  -7.837
  277   1HD2  LEU  29          1HD2      LEU  29  -0.987 -12.242  -9.109
  278   2HD2  LEU  29          2HD2      LEU  29  -0.266 -13.734  -9.741
  279   3HD2  LEU  29          3HD2      LEU  29   0.164 -13.142  -8.123
  280    H    ALA  30           H        ALA  30  -0.163 -11.133 -13.868
  281    HA   ALA  30           HA       ALA  30   0.266  -8.355 -14.566
  282   1HB   ALA  30          1HB       ALA  30   0.652 -10.092 -16.283
  283   2HB   ALA  30          2HB       ALA  30  -1.067 -10.554 -16.228
  284   3HB   ALA  30          3HB       ALA  30  -0.578  -8.962 -16.837
  285    H    LYS  31           H        LYS  31  -2.872 -10.053 -14.292
  286    HA   LYS  31           HA       LYS  31  -4.063  -7.541 -15.175
  287   1HB   LYS  31          1HB       LYS  31  -5.078 -10.249 -14.892
  288   2HB   LYS  31          2HB       LYS  31  -6.151  -9.076 -14.114
  289   1HG   LYS  31          1HG       LYS  31  -6.821  -9.270 -16.432
  290   2HG   LYS  31          2HG       LYS  31  -6.133  -7.671 -16.148
  291   1HD   LYS  31          1HD       LYS  31  -3.893  -8.652 -17.078
  292   2HD   LYS  31          2HD       LYS  31  -4.861 -10.038 -17.594
  293   1HE   LYS  31          1HE       LYS  31  -6.306  -8.468 -18.930
  294   2HE   LYS  31          2HE       LYS  31  -5.321  -7.104 -18.364
  295   1HZ   LYS  31          1HZ       LYS  31  -3.439  -8.063 -19.434
  296   2HZ   LYS  31          2HZ       LYS  31  -4.331  -9.342 -19.976
  297   3HZ   LYS  31          3HZ       LYS  31  -4.654  -7.818 -20.512
  298    H    ILE  32           H        ILE  32  -3.288  -8.855 -11.973
  299    HA   ILE  32           HA       ILE  32  -4.894  -6.683 -10.764
  300    HB   ILE  32           HB       ILE  32  -2.583  -8.333  -9.710
  301   1HG1  ILE  32          1HG1      ILE  32  -4.872  -9.432 -10.067
  302   2HG1  ILE  32          2HG1      ILE  32  -4.184  -9.519  -8.440
  303   1HG2  ILE  32          1HG2      ILE  32  -2.438  -6.222  -8.559
  304   2HG2  ILE  32          2HG2      ILE  32  -4.187  -6.126  -8.406
  305   3HG2  ILE  32          3HG2      ILE  32  -3.285  -7.330  -7.464
  306   1HD1  ILE  32          1HD1      ILE  32  -5.751  -7.748  -7.711
  307   2HD1  ILE  32          2HD1      ILE  32  -6.398  -7.647  -9.378
  308   3HD1  ILE  32          3HD1      ILE  32  -6.591  -9.123  -8.430
  309    H    LEU  33           H        LEU  33  -1.526  -7.061 -11.911
  310    HA   LEU  33           HA       LEU  33  -0.623  -4.813 -10.508
  311   1HB   LEU  33          1HB       LEU  33   1.429  -5.371 -11.203
  312   2HB   LEU  33          2HB       LEU  33   0.544  -6.875 -11.360
  313    HG   LEU  33           HG       LEU  33   0.436  -6.399 -13.841
  314   1HD1  LEU  33          1HD1      LEU  33   0.974  -4.102 -14.062
  315   2HD1  LEU  33          2HD1      LEU  33   2.331  -4.244 -12.921
  316   3HD1  LEU  33          3HD1      LEU  33   2.423  -4.980 -14.546
  317   1HD2  LEU  33          1HD2      LEU  33   3.185  -6.588 -12.541
  318   2HD2  LEU  33          2HD2      LEU  33   2.034  -7.934 -12.475
  319   3HD2  LEU  33          3HD2      LEU  33   2.664  -7.377 -14.038
  320    H    GLU  34           H        GLU  34  -1.747  -5.355 -13.810
  321    HA   GLU  34           HA       GLU  34  -1.132  -2.958 -15.126
  322   1HB   GLU  34          1HB       GLU  34  -2.241  -5.209 -15.925
  323   2HB   GLU  34          2HB       GLU  34  -3.755  -4.511 -15.441
  324   1HG   GLU  34          1HG       GLU  34  -3.346  -2.578 -17.004
  325   2HG   GLU  34          2HG       GLU  34  -1.775  -3.269 -17.436
  326    H    ASP  35           H        ASP  35  -3.978  -3.729 -13.191
  327    HA   ASP  35           HA       ASP  35  -5.295  -1.258 -13.678
  328   1HB   ASP  35          1HB       ASP  35  -6.189  -3.468 -12.593
  329   2HB   ASP  35          2HB       ASP  35  -5.648  -2.755 -11.070
  330    H    GLU  36           H        GLU  36  -3.181  -2.268 -10.988
  331    HA   GLU  36           HA       GLU  36  -3.085   0.137  -9.514
  332   1HB   GLU  36          1HB       GLU  36  -0.826  -1.851  -9.983
  333   2HB   GLU  36          2HB       GLU  36  -0.936  -0.662  -8.680
  334   1HG   GLU  36          1HG       GLU  36  -2.896  -2.976  -9.041
  335   2HG   GLU  36          2HG       GLU  36  -1.498  -2.972  -7.968
  336    H    GLU  37           H        GLU  37  -1.160  -0.812 -12.427
  337    HA   GLU  37           HA       GLU  37   0.565   1.301 -12.442
  338   1HB   GLU  37          1HB       GLU  37   0.090  -0.936 -13.924
  339   2HB   GLU  37          2HB       GLU  37  -0.614   0.214 -15.047
  340   1HG   GLU  37          1HG       GLU  37   2.138   0.517 -13.776
  341   2HG   GLU  37          2HG       GLU  37   1.823  -0.476 -15.197
  342    H    LYS  38           H        LYS  38  -2.794   1.232 -13.654
  343    HA   LYS  38           HA       LYS  38  -2.648   3.943 -14.722
  344   1HB   LYS  38          1HB       LYS  38  -4.249   1.940 -15.348
  345   2HB   LYS  38          2HB       LYS  38  -5.153   2.426 -13.915
  346   1HG   LYS  38          1HG       LYS  38  -6.222   3.604 -15.668
  347   2HG   LYS  38          2HG       LYS  38  -5.140   4.825 -14.973
  348   1HD   LYS  38          1HD       LYS  38  -3.415   3.993 -16.795
  349   2HD   LYS  38          2HD       LYS  38  -4.803   3.209 -17.542
  350   1HE   LYS  38          1HE       LYS  38  -4.438   6.191 -16.962
  351   2HE   LYS  38          2HE       LYS  38  -4.373   5.410 -18.545
  352   1HZ   LYS  38          1HZ       LYS  38  -6.684   4.806 -18.256
  353   2HZ   LYS  38          2HZ       LYS  38  -6.730   5.578 -16.799
  354   3HZ   LYS  38          3HZ       LYS  38  -6.475   6.439 -18.179
  355    H    HIS  39           H        HIS  39  -3.857   2.532 -11.677
  356    HA   HIS  39           HA       HIS  39  -4.897   4.938 -10.564
  357   1HB   HIS  39          1HB       HIS  39  -3.567   2.508  -9.328
  358   2HB   HIS  39          2HB       HIS  39  -4.250   3.787  -8.355
  359    HD1  HIS  39           HD1      HIS  39  -7.027   4.290  -9.657
  360    HD2  HIS  39           HD2      HIS  39  -5.225   0.493  -9.345
  361    HE1  HIS  39           HE1      HIS  39  -8.908   2.538  -9.859
  362    HE2  HIS  39           HE2      HIS  39  -7.776   0.251  -9.694
  363    H    ILE  40           H        ILE  40  -1.596   3.709 -10.742
  364    HA   ILE  40           HA       ILE  40  -0.381   5.765  -9.089
  365    HB   ILE  40           HB       ILE  40   0.625   3.600 -10.969
  366   1HG1  ILE  40          1HG1      ILE  40   1.302   4.035  -8.073
  367   2HG1  ILE  40          2HG1      ILE  40  -0.244   3.324  -8.461
  368   1HG2  ILE  40          1HG2      ILE  40   2.276   5.309 -11.291
  369   2HG2  ILE  40          2HG2      ILE  40   2.266   5.742  -9.566
  370   3HG2  ILE  40          3HG2      ILE  40   2.952   4.196 -10.107
  371   1HD1  ILE  40          1HD1      ILE  40   0.879   1.554  -9.767
  372   2HD1  ILE  40          2HD1      ILE  40   2.454   2.192  -9.274
  373   3HD1  ILE  40          3HD1      ILE  40   1.339   1.550  -8.051
  374    H    GLU  41           H        GLU  41  -0.663   5.117 -12.590
  375    HA   GLU  41           HA       GLU  41   0.724   7.208 -13.631
  376   1HB   GLU  41          1HB       GLU  41  -0.611   5.397 -14.884
  377   2HB   GLU  41          2HB       GLU  41  -2.033   6.441 -14.670
  378   1HG   GLU  41          1HG       GLU  41  -0.582   8.285 -15.798
  379   2HG   GLU  41          2HG       GLU  41   0.493   6.957 -16.258
  380    H    TRP  42           H        TRP  42  -2.615   7.442 -12.247
  381    HA   TRP  42           HA       TRP  42  -3.190  10.045 -12.990
  382   1HB   TRP  42          1HB       TRP  42  -4.541   8.348 -11.631
  383   2HB   TRP  42          2HB       TRP  42  -3.700   8.938 -10.214
  384    HD1  TRP  42           HD1      TRP  42  -5.974  10.172 -12.969
  385    HE1  TRP  42           HE1      TRP  42  -7.198  12.430 -12.220
  386    HE3  TRP  42           HE3      TRP  42  -3.595  10.844  -8.625
  387    HZ2  TRP  42           HZ2      TRP  42  -7.097  14.169  -9.902
  388    HZ3  TRP  42           HZ3      TRP  42  -4.040  12.838  -7.167
  389    HH2  TRP  42           HH2      TRP  42  -5.844  14.438  -7.769
  390    H    LEU  43           H        LEU  43  -1.107   8.977 -10.355
  391    HA   LEU  43           HA       LEU  43  -0.638  11.639  -9.227
  392   1HB   LEU  43          1HB       LEU  43   0.829   8.975  -8.791
  393   2HB   LEU  43          2HB       LEU  43   1.162  10.488  -7.963
  394    HG   LEU  43           HG       LEU  43  -1.521  10.319  -7.503
  395   1HD1  LEU  43          1HD1      LEU  43  -1.580   8.061  -8.647
  396   2HD1  LEU  43          2HD1      LEU  43  -0.499   7.445  -7.384
  397   3HD1  LEU  43          3HD1      LEU  43  -2.126   8.025  -6.975
  398   1HD2  LEU  43          1HD2      LEU  43   0.656   8.925  -5.917
  399   2HD2  LEU  43          2HD2      LEU  43   0.313  10.662  -5.815
  400   3HD2  LEU  43          3HD2      LEU  43  -0.887   9.483  -5.249
  401    H    GLU  44           H        GLU  44   1.044   9.343 -11.373
  402    HA   GLU  44           HA       GLU  44   3.360  11.090 -11.652
  403   1HB   GLU  44          1HB       GLU  44   2.653   8.710 -13.396
  404   2HB   GLU  44          2HB       GLU  44   4.227   9.467 -13.139
  405   1HG   GLU  44          1HG       GLU  44   3.969   8.826 -10.657
  406   2HG   GLU  44          2HG       GLU  44   2.616   7.811 -11.151
  407    H    THR  45           H        THR  45   0.563  12.123 -12.544
  408    HA   THR  45           HA       THR  45   1.644  13.395 -14.959
  409    HB   THR  45           HB       THR  45   0.360  11.283 -15.548
  410    HG1  THR  45           HG1      THR  45  -0.220  12.208 -17.417
  411   1HG2  THR  45          1HG2      THR  45  -1.628  11.503 -14.158
  412   2HG2  THR  45          2HG2      THR  45  -2.136  12.928 -15.103
  413   3HG2  THR  45          3HG2      THR  45  -2.003  11.334 -15.867
  414    H    ILE  46           H        ILE  46  -1.219  13.017 -12.965
  415    HA   ILE  46           HA       ILE  46  -2.540  14.272 -11.830
  416    HB   ILE  46           HB       ILE  46  -0.601  14.317 -10.431
  417   1HG1  ILE  46          1HG1      ILE  46  -1.015  16.287  -9.028
  418   2HG1  ILE  46          2HG1      ILE  46  -2.091  16.953 -10.256
  419   1HG2  ILE  46          1HG2      ILE  46   1.143  15.313 -11.622
  420   2HG2  ILE  46          2HG2      ILE  46   0.247  16.844 -11.844
  421   3HG2  ILE  46          3HG2      ILE  46   0.858  16.353 -10.249
  422   1HD1  ILE  46          1HD1      ILE  46  -3.563  14.936  -9.965
  423   2HD1  ILE  46          2HD1      ILE  46  -2.371  14.256  -8.835
  424   3HD1  ILE  46          3HD1      ILE  46  -3.261  15.729  -8.408
  425    H    LEU  47           H        LEU  47  -3.721  16.378 -11.529
  426    HA   LEU  47           HA       LEU  47  -4.115  17.610 -14.170
  427   1HB   LEU  47          1HB       LEU  47  -5.440  17.859 -11.465
  428   2HB   LEU  47          2HB       LEU  47  -5.695  19.095 -12.691
  429    HG   LEU  47           HG       LEU  47  -7.463  17.382 -12.633
  430   1HD1  LEU  47          1HD1      LEU  47  -7.016  18.754 -14.656
  431   2HD1  LEU  47          2HD1      LEU  47  -6.001  17.450 -15.306
  432   3HD1  LEU  47          3HD1      LEU  47  -7.724  17.173 -15.022
  433   1HD2  LEU  47          1HD2      LEU  47  -5.421  15.466 -13.835
  434   2HD2  LEU  47          2HD2      LEU  47  -6.061  15.373 -12.178
  435   3HD2  LEU  47          3HD2      LEU  47  -7.143  15.169 -13.568
  436    H    GLY  48           H        GLY  48  -1.909  18.215 -14.350
  437   1HA   GLY  48          1HA       GLY  48  -1.360  20.975 -13.787
  438   2HA   GLY  48          2HA       GLY  48  -0.456  19.911 -12.684
  439   1HN   NH2  49          1HN       NH2  49   0.170  17.695 -14.202
  440   2HN   NH2  49          2HN       NH2  49   1.157  18.161 -15.613
  441   1H    ACE   0          H1        ACE   0   7.317 -16.786   1.876
  442   2H    ACE   0          H2        ACE   0   5.695 -16.124   1.586
  443   3H    ACE   0          H3        ACE   0   6.598 -16.869   0.250
  444    H    ASP   1           H        ASP   1   8.934 -15.845   0.069
  445    HA   ASP   1           HA       ASP   1   9.614 -13.257   0.741
  446   1HB   ASP   1          1HB       ASP   1  11.169 -14.717  -0.389
  447   2HB   ASP   1          2HB       ASP   1  10.168 -14.734  -1.856
  448    H    TYR   2           H        TYR   2   7.876 -14.271  -2.236
  449    HA   TYR   2           HA       TYR   2   7.427 -11.789  -3.343
  450   1HB   TYR   2          1HB       TYR   2   5.434 -14.076  -3.424
  451   2HB   TYR   2          2HB       TYR   2   5.828 -12.905  -4.672
  452    HD1  TYR   2           HD1      TYR   2   6.089 -16.242  -4.045
  453    HD2  TYR   2           HD2      TYR   2   8.680 -12.931  -5.025
  454    HE1  TYR   2           HE1      TYR   2   7.973 -17.808  -4.392
  455    HE2  TYR   2           HE2      TYR   2  10.562 -14.489  -5.310
  456    HH   TYR   2           HH       TYR   2  11.240 -16.702  -5.280
  457    H    LEU   3           H        LEU   3   5.403 -13.545  -0.966
  458    HA   LEU   3           HA       LEU   3   3.360 -11.552  -0.991
  459   1HB   LEU   3          1HB       LEU   3   4.055 -13.564   1.209
  460   2HB   LEU   3          2HB       LEU   3   2.537 -12.676   1.093
  461    HG   LEU   3           HG       LEU   3   3.506 -14.709  -0.974
  462   1HD1  LEU   3          1HD1      LEU   3   3.048 -15.761   1.210
  463   2HD1  LEU   3          2HD1      LEU   3   1.450 -14.986   1.257
  464   3HD1  LEU   3          3HD1      LEU   3   1.816 -16.202   0.016
  465   1HD2  LEU   3          1HD2      LEU   3   0.811 -13.315  -0.593
  466   2HD2  LEU   3          2HD2      LEU   3   1.935 -13.069  -1.949
  467   3HD2  LEU   3          3HD2      LEU   3   1.133 -14.630  -1.738
  468    H    ARG   4           H        ARG   4   6.089 -12.052   1.285
  469    HA   ARG   4           HA       ARG   4   5.319  -9.788   2.860
  470   1HB   ARG   4          1HB       ARG   4   7.519  -9.797   3.818
  471   2HB   ARG   4          2HB       ARG   4   6.912 -11.460   3.721
  472   1HG   ARG   4          1HG       ARG   4   8.285 -11.918   1.813
  473   2HG   ARG   4          2HG       ARG   4   8.756 -10.223   1.625
  474   1HD   ARG   4          1HD       ARG   4  10.615 -11.061   2.549
  475   2HD   ARG   4          2HD       ARG   4   9.796 -10.460   4.006
  476    HE   ARG   4           HE       ARG   4   8.986 -13.131   3.672
  477   1HH1  ARG   4          1HH2      ARG   4  11.987 -11.368   4.181
  478   2HH1  ARG   4          2HH2      ARG   4  12.898 -12.734   4.753
  479   1HH2  ARG   4          1HH1      ARG   4  10.151 -14.973   4.395
  480   2HH2  ARG   4          2HH1      ARG   4  11.818 -14.842   4.886
  481    H    GLU   5           H        GLU   5   6.464  -9.857  -0.373
  482    HA   GLU   5           HA       GLU   5   7.701  -7.131  -0.176
  483   1HB   GLU   5          1HB       GLU   5   7.553  -9.213  -2.380
  484   2HB   GLU   5          2HB       GLU   5   8.091  -7.551  -2.658
  485   1HG   GLU   5          1HG       GLU   5   9.947  -7.834  -1.123
  486   2HG   GLU   5          2HG       GLU   5   9.369  -9.422  -0.615
  487    H    LEU   6           H        LEU   6   5.414  -8.842  -2.314
  488    HA   LEU   6           HA       LEU   6   4.334  -6.455  -3.391
  489   1HB   LEU   6          1HB       LEU   6   3.315  -9.320  -3.406
  490   2HB   LEU   6          2HB       LEU   6   2.537  -7.973  -4.239
  491    HG   LEU   6           HG       LEU   6   4.606  -7.687  -5.692
  492   1HD1  LEU   6          1HD1      LEU   6   6.230  -8.819  -4.161
  493   2HD1  LEU   6          2HD1      LEU   6   5.526 -10.357  -4.731
  494   3HD1  LEU   6          3HD1      LEU   6   6.254  -9.170  -5.853
  495   1HD2  LEU   6          1HD2      LEU   6   3.214 -10.386  -5.713
  496   2HD2  LEU   6          2HD2      LEU   6   2.520  -8.875  -6.335
  497   3HD2  LEU   6          3HD2      LEU   6   3.948  -9.552  -7.094
  498    H    LEU   7           H        LEU   7   3.628  -7.947  -0.313
  499    HA   LEU   7           HA       LEU   7   0.960  -6.813  -0.285
  500   1HB   LEU   7          1HB       LEU   7   1.380  -9.185   0.524
  501   2HB   LEU   7          2HB       LEU   7   2.295  -8.473   1.863
  502    HG   LEU   7           HG       LEU   7   0.127  -7.068   2.311
  503   1HD1  LEU   7          1HD1      LEU   7  -0.938  -7.776   0.097
  504   2HD1  LEU   7          2HD1      LEU   7  -1.096  -9.399   0.773
  505   3HD1  LEU   7          3HD1      LEU   7  -1.942  -8.017   1.517
  506   1HD2  LEU   7          1HD2      LEU   7   0.126 -10.068   2.822
  507   2HD2  LEU   7          2HD2      LEU   7   1.012  -8.860   3.778
  508   3HD2  LEU   7          3HD2      LEU   7  -0.752  -8.821   3.743
  509    H    LYS   8           H        LYS   8   3.928  -6.767   1.746
  510    HA   LYS   8           HA       LYS   8   2.929  -4.793   3.484
  511   1HB   LYS   8          1HB       LYS   8   5.676  -5.890   2.925
  512   2HB   LYS   8          2HB       LYS   8   5.465  -4.546   4.042
  513   1HG   LYS   8          1HG       LYS   8   4.239  -5.733   5.580
  514   2HG   LYS   8          2HG       LYS   8   3.736  -6.990   4.432
  515   1HD   LYS   8          1HD       LYS   8   5.785  -8.098   4.493
  516   2HD   LYS   8          2HD       LYS   8   6.683  -6.686   5.040
  517   1HE   LYS   8          1HE       LYS   8   6.386  -8.490   6.789
  518   2HE   LYS   8          2HE       LYS   8   5.868  -6.871   7.279
  519   1HZ   LYS   8          1HZ       LYS   8   3.625  -7.495   6.840
  520   2HZ   LYS   8          2HZ       LYS   8   4.072  -8.994   6.331
  521   3HZ   LYS   8          3HZ       LYS   8   4.297  -8.553   7.901
  522    H    LEU   9           H        LEU   9   4.992  -4.762   0.565
  523    HA   LEU   9           HA       LEU   9   5.679  -1.955   0.837
  524   1HB   LEU   9          1HB       LEU   9   5.712  -3.681  -1.658
  525   2HB   LEU   9          2HB       LEU   9   6.540  -2.137  -1.421
  526    HG   LEU   9           HG       LEU   9   7.166  -4.640   0.214
  527   1HD1  LEU   9          1HD1      LEU   9   7.726  -4.903  -2.196
  528   2HD1  LEU   9          2HD1      LEU   9   8.699  -3.422  -2.112
  529   3HD1  LEU   9          3HD1      LEU   9   9.160  -4.845  -1.158
  530   1HD2  LEU   9          1HD2      LEU   9   8.570  -1.950   0.018
  531   2HD2  LEU   9          2HD2      LEU   9   7.749  -2.628   1.445
  532   3HD2  LEU   9          3HD2      LEU   9   9.210  -3.397   0.825
  533    H    GLU  10           H        GLU  10   3.017  -3.737  -0.654
  534    HA   GLU  10           HA       GLU  10   1.722  -1.511  -1.926
  535   1HB   GLU  10          1HB       GLU  10   0.952  -4.282  -1.039
  536   2HB   GLU  10          2HB       GLU  10  -0.266  -3.099  -1.378
  537   1HG   GLU  10          1HG       GLU  10   1.889  -3.880  -3.383
  538   2HG   GLU  10          2HG       GLU  10   0.325  -4.675  -3.266
  539    H    LEU  11           H        LEU  11   1.326  -3.033   1.305
  540    HA   LEU  11           HA       LEU  11  -0.677  -1.323   2.263
  541   1HB   LEU  11          1HB       LEU  11   1.229  -3.206   3.432
  542   2HB   LEU  11          2HB       LEU  11   1.145  -1.761   4.430
  543    HG   LEU  11           HG       LEU  11  -1.381  -1.982   4.420
  544   1HD1  LEU  11          1HD1      LEU  11  -1.608  -3.453   2.418
  545   2HD1  LEU  11          2HD1      LEU  11  -0.718  -4.736   3.260
  546   3HD1  LEU  11          3HD1      LEU  11  -2.308  -4.214   3.855
  547   1HD2  LEU  11          1HD2      LEU  11   0.247  -4.284   5.582
  548   2HD2  LEU  11          2HD2      LEU  11   0.007  -2.688   6.326
  549   3HD2  LEU  11          3HD2      LEU  11  -1.373  -3.780   6.114
  550    H    GLN  12           H        GLN  12   2.860  -0.794   2.348
  551    HA   GLN  12           HA       GLN  12   2.833   1.705   3.643
  552   1HB   GLN  12          1HB       GLN  12   4.727   0.435   1.658
  553   2HB   GLN  12          2HB       GLN  12   4.878   2.152   2.011
  554   1HG   GLN  12          1HG       GLN  12   6.348   1.121   3.507
  555   2HG   GLN  12          2HG       GLN  12   4.961   1.609   4.476
  556   1HE2  GLN  12          2HE2      GLN  12   6.633  -1.149   2.958
  557   2HE2  GLN  12          1HE2      GLN  12   5.848  -2.363   3.955
  558    H    LEU  13           H        LEU  13   1.738   1.045   0.346
  559    HA   LEU  13           HA       LEU  13   1.930   3.790  -0.555
  560   1HB   LEU  13          1HB       LEU  13   0.046   1.638  -1.615
  561   2HB   LEU  13          2HB       LEU  13   0.507   3.175  -2.326
  562    HG   LEU  13           HG       LEU  13   2.106   0.657  -2.057
  563   1HD1  LEU  13          1HD1      LEU  13   0.630   0.881  -3.995
  564   2HD1  LEU  13          2HD1      LEU  13   1.258   2.490  -4.342
  565   3HD1  LEU  13          3HD1      LEU  13   2.295   1.084  -4.573
  566   1HD2  LEU  13          1HD2      LEU  13   3.194   3.424  -2.599
  567   2HD2  LEU  13          2HD2      LEU  13   3.755   2.238  -1.412
  568   3HD2  LEU  13          3HD2      LEU  13   4.013   1.944  -3.137
  569    H    ILE  14           H        ILE  14  -0.733   1.640   0.565
  570    HA   ILE  14           HA       ILE  14  -2.781   3.672   0.546
  571    HB   ILE  14           HB       ILE  14  -2.417   0.990   1.936
  572   1HG1  ILE  14          1HG1      ILE  14  -4.107   0.210   0.424
  573   2HG1  ILE  14          2HG1      ILE  14  -4.479   1.836  -0.140
  574   1HG2  ILE  14          1HG2      ILE  14  -3.869   2.236   3.455
  575   2HG2  ILE  14          2HG2      ILE  14  -4.862   2.799   2.092
  576   3HG2  ILE  14          3HG2      ILE  14  -4.838   1.084   2.530
  577   1HD1  ILE  14          1HD1      ILE  14  -2.401   1.968  -1.369
  578   2HD1  ILE  14          2HD1      ILE  14  -1.875   0.405  -0.683
  579   3HD1  ILE  14          3HD1      ILE  14  -3.264   0.496  -1.784
  580    H    LYS  15           H        LYS  15  -0.374   2.757   2.914
  581    HA   LYS  15           HA       LYS  15  -1.279   4.430   5.058
  582   1HB   LYS  15          1HB       LYS  15   0.699   2.490   4.762
  583   2HB   LYS  15          2HB       LYS  15   1.652   3.959   4.769
  584   1HG   LYS  15          1HG       LYS  15   1.568   3.315   7.006
  585   2HG   LYS  15          2HG       LYS  15   0.332   4.581   6.923
  586   1HD   LYS  15          1HD       LYS  15  -1.421   2.757   6.654
  587   2HD   LYS  15          2HD       LYS  15  -0.130   1.549   6.757
  588   1HE   LYS  15          1HE       LYS  15   0.449   2.392   9.048
  589   2HE   LYS  15          2HE       LYS  15  -0.908   3.532   8.948
  590   1HZ   LYS  15          1HZ       LYS  15  -2.370   1.644   8.714
  591   2HZ   LYS  15          2HZ       LYS  15  -1.099   0.602   8.824
  592   3HZ   LYS  15          3HZ       LYS  15  -1.502   1.545  10.112
  593    H    GLN  16           H        GLN  16   1.200   4.869   2.443
  594    HA   GLN  16           HA       GLN  16   1.746   7.579   3.325
  595   1HB   GLN  16          1HB       GLN  16   2.593   5.890   0.984
  596   2HB   GLN  16          2HB       GLN  16   2.730   7.640   0.863
  597   1HG   GLN  16          1HG       GLN  16   4.818   6.766   1.682
  598   2HG   GLN  16          2HG       GLN  16   4.058   7.784   2.901
  599   1HE2  GLN  16          2HE2      GLN  16   5.435   4.694   2.268
  600   2HE2  GLN  16          1HE2      GLN  16   5.005   3.973   3.815
  601    H    TYR  17           H        TYR  17  -0.554   6.235   1.066
  602    HA   TYR  17           HA       TYR  17  -1.458   8.648  -0.184
  603   1HB   TYR  17          1HB       TYR  17  -2.632   5.885   0.335
  604   2HB   TYR  17          2HB       TYR  17  -3.619   7.157  -0.305
  605    HD1  TYR  17           HD1      TYR  17  -3.111   8.272  -2.523
  606    HD2  TYR  17           HD2      TYR  17  -2.003   4.302  -1.398
  607    HE1  TYR  17           HE1      TYR  17  -2.655   7.715  -4.853
  608    HE2  TYR  17           HE2      TYR  17  -1.313   3.822  -3.643
  609    HH   TYR  17           HH       TYR  17  -1.487   4.470  -5.809
  610    H    ARG  18           H        ARG  18  -2.155   7.012   2.907
  611    HA   ARG  18           HA       ARG  18  -4.395   8.742   3.568
  612   1HB   ARG  18          1HB       ARG  18  -2.847   6.685   5.146
  613   2HB   ARG  18          2HB       ARG  18  -3.815   7.919   5.956
  614   1HG   ARG  18          1HG       ARG  18  -5.774   7.252   4.483
  615   2HG   ARG  18          2HG       ARG  18  -4.820   5.842   3.979
  616   1HD   ARG  18          1HD       ARG  18  -4.723   5.061   6.305
  617   2HD   ARG  18          2HD       ARG  18  -5.430   6.594   6.873
  618    HE   ARG  18           HE       ARG  18  -7.115   5.199   4.968
  619   1HH1  ARG  18          1HH2      ARG  18  -6.215   5.365   8.374
  620   2HH1  ARG  18          2HH2      ARG  18  -7.772   4.860   8.969
  621   1HH2  ARG  18          1HH1      ARG  18  -9.156   4.533   5.711
  622   2HH2  ARG  18          2HH1      ARG  18  -9.483   4.356   7.410
  623    H    GLU  19           H        GLU  19  -1.009   8.528   4.431
  624    HA   GLU  19           HA       GLU  19  -0.752  10.829   6.037
  625   1HB   GLU  19          1HB       GLU  19   1.021   9.065   5.489
  626   2HB   GLU  19          2HB       GLU  19   1.290   9.956   3.982
  627   1HG   GLU  19          1HG       GLU  19   1.793  12.007   5.330
  628   2HG   GLU  19          2HG       GLU  19   1.638  11.031   6.802
  629    H    ALA  20           H        ALA  20  -0.672  10.505   2.443
  630    HA   ALA  20           HA       ALA  20  -0.266  13.391   2.160
  631   1HB   ALA  20          1HB       ALA  20   0.059  11.126   0.495
  632   2HB   ALA  20          2HB       ALA  20  -1.025  12.262  -0.329
  633   3HB   ALA  20          3HB       ALA  20   0.582  12.775   0.236
  634    H    LEU  21           H        LEU  21  -3.062  11.311   2.369
  635    HA   LEU  21           HA       LEU  21  -4.981  12.711   1.022
  636   1HB   LEU  21          1HB       LEU  21  -5.011  10.604   2.770
  637   2HB   LEU  21          2HB       LEU  21  -5.784  11.807   3.776
  638    HG   LEU  21           HG       LEU  21  -7.528  10.666   2.757
  639   1HD1  LEU  21          1HD1      LEU  21  -7.843  13.116   2.383
  640   2HD1  LEU  21          2HD1      LEU  21  -7.182  12.929   0.739
  641   3HD1  LEU  21          3HD1      LEU  21  -8.669  12.096   1.196
  642   1HD2  LEU  21          1HD2      LEU  21  -5.823  10.625   0.255
  643   2HD2  LEU  21          2HD2      LEU  21  -6.322   9.266   1.271
  644   3HD2  LEU  21          3HD2      LEU  21  -7.528  10.118   0.296
  645    H    GLU  22           H        GLU  22  -3.636  13.449   4.218
  646    HA   GLU  22           HA       GLU  22  -5.592  15.530   4.739
  647   1HB   GLU  22          1HB       GLU  22  -4.162  16.063   6.725
  648   2HB   GLU  22          2HB       GLU  22  -4.942  14.475   6.702
  649   1HG   GLU  22          1HG       GLU  22  -2.893  13.371   6.117
  650   2HG   GLU  22          2HG       GLU  22  -2.061  14.923   5.850
  651    H    TYR  23           H        TYR  23  -2.309  15.173   3.562
  652    HA   TYR  23           HA       TYR  23  -1.479  17.878   3.639
  653   1HB   TYR  23          1HB       TYR  23  -0.346  15.416   2.991
  654   2HB   TYR  23          2HB       TYR  23  -0.394  16.221   1.428
  655    HD1  TYR  23           HD1      TYR  23   1.362  15.784   4.513
  656    HD2  TYR  23           HD2      TYR  23   0.637  18.675   1.391
  657    HE1  TYR  23           HE1      TYR  23   3.406  17.013   5.170
  658    HE2  TYR  23           HE2      TYR  23   2.674  19.907   2.070
  659    HH   TYR  23           HH       TYR  23   4.687  19.706   3.301
  660    H    VAL  24           H        VAL  24  -3.345  16.007   1.286
  661    HA   VAL  24           HA       VAL  24  -3.442  18.403  -0.542
  662    HB   VAL  24           HB       VAL  24  -4.145  15.513  -1.106
  663   1HG1  VAL  24          1HG1      VAL  24  -5.377  17.107  -2.586
  664   2HG1  VAL  24          2HG1      VAL  24  -3.852  17.924  -2.965
  665   3HG1  VAL  24          3HG1      VAL  24  -4.119  16.247  -3.479
  666   1HG2  VAL  24          1HG2      VAL  24  -1.700  17.228  -1.749
  667   2HG2  VAL  24          2HG2      VAL  24  -1.736  15.734  -0.782
  668   3HG2  VAL  24          3HG2      VAL  24  -2.083  15.684  -2.525
  669    H    LYS  25           H        LYS  25  -5.654  16.149   1.094
  670    HA   LYS  25           HA       LYS  25  -7.873  16.104   1.400
  671   1HB   LYS  25          1HB       LYS  25  -7.684  19.119   1.052
  672   2HB   LYS  25          2HB       LYS  25  -9.095  18.251   1.655
  673   1HG   LYS  25          1HG       LYS  25  -7.935  17.439   3.576
  674   2HG   LYS  25          2HG       LYS  25  -6.364  17.982   2.967
  675   1HD   LYS  25          1HD       LYS  25  -6.899  20.279   3.161
  676   2HD   LYS  25          2HD       LYS  25  -8.611  19.969   3.487
  677   1HE   LYS  25          1HE       LYS  25  -6.331  19.046   5.307
  678   2HE   LYS  25          2HE       LYS  25  -7.204  20.571   5.521
  679   1HZ   LYS  25          1HZ       LYS  25  -9.226  19.338   5.761
  680   2HZ   LYS  25          2HZ       LYS  25  -8.431  17.908   5.581
  681   3HZ   LYS  25          3HZ       LYS  25  -8.120  18.863   6.885
  682    H    LEU  26           H        LEU  26  -7.144  15.255  -1.057
  683    HA   LEU  26           HA       LEU  26  -9.407  16.155  -2.796
  684   1HB   LEU  26          1HB       LEU  26  -6.660  15.403  -3.411
  685   2HB   LEU  26          2HB       LEU  26  -7.788  14.363  -4.262
  686    HG   LEU  26           HG       LEU  26  -8.253  17.342  -4.351
  687   1HD1  LEU  26          1HD1      LEU  26  -5.928  17.179  -4.988
  688   2HD1  LEU  26          2HD1      LEU  26  -6.245  15.756  -5.997
  689   3HD1  LEU  26          3HD1      LEU  26  -6.881  17.346  -6.469
  690   1HD2  LEU  26          1HD2      LEU  26  -8.663  15.100  -6.397
  691   2HD2  LEU  26          2HD2      LEU  26  -9.928  15.648  -5.281
  692   3HD2  LEU  26          3HD2      LEU  26  -9.275  16.756  -6.500
  693    HA   PRO  27           HA       PRO  27 -11.007  12.244  -1.115
  694   1HB   PRO  27          1HB       PRO  27 -13.356  12.063  -2.545
  695   2HB   PRO  27          2HB       PRO  27 -13.131  13.095  -1.108
  696   1HG   PRO  27          1HG       PRO  27 -12.921  13.912  -4.013
  697   2HG   PRO  27          2HG       PRO  27 -13.815  14.738  -2.706
  698   1HD   PRO  27          1HD       PRO  27 -11.374  15.572  -3.462
  699   2HD   PRO  27          2HD       PRO  27 -11.786  15.548  -1.725
  700    H    VAL  28           H        VAL  28 -10.631  13.023  -4.570
  701    HA   VAL  28           HA       VAL  28 -10.768  10.562  -5.810
  702    HB   VAL  28           HB       VAL  28  -8.727  12.724  -6.182
  703   1HG1  VAL  28          1HG1      VAL  28  -7.770  10.756  -7.173
  704   2HG1  VAL  28          2HG1      VAL  28  -9.325  10.292  -7.907
  705   3HG1  VAL  28          3HG1      VAL  28  -8.436  11.709  -8.495
  706   1HG2  VAL  28          1HG2      VAL  28 -11.204  12.055  -7.830
  707   2HG2  VAL  28          2HG2      VAL  28 -11.058  13.447  -6.725
  708   3HG2  VAL  28          3HG2      VAL  28 -10.046  13.346  -8.173
  709    H    LEU  29           H        LEU  29  -8.165  11.683  -3.549
  710    HA   LEU  29           HA       LEU  29  -6.287   9.682  -4.266
  711   1HB   LEU  29          1HB       LEU  29  -6.730  11.270  -1.698
  712   2HB   LEU  29          2HB       LEU  29  -5.300  10.351  -2.148
  713    HG   LEU  29           HG       LEU  29  -6.325  12.931  -3.339
  714   1HD1  LEU  29          1HD1      LEU  29  -4.941  13.110  -1.333
  715   2HD1  LEU  29          2HD1      LEU  29  -3.678  12.114  -2.084
  716   3HD1  LEU  29          3HD1      LEU  29  -4.055  13.719  -2.743
  717   1HD2  LEU  29          1HD2      LEU  29  -4.172  11.131  -4.503
  718   2HD2  LEU  29          2HD2      LEU  29  -5.681  11.653  -5.291
  719   3HD2  LEU  29          3HD2      LEU  29  -4.431  12.842  -4.925
  720    H    ALA  30           H        ALA  30  -8.820   9.898  -1.724
  721    HA   ALA  30           HA       ALA  30  -8.284   7.242  -0.600
  722   1HB   ALA  30          1HB       ALA  30  -9.545   8.982   0.663
  723   2HB   ALA  30          2HB       ALA  30 -10.820   8.954  -0.577
  724   3HB   ALA  30          3HB       ALA  30 -10.504   7.514   0.409
  725    H    LYS  31           H        LYS  31 -10.309   8.487  -3.311
  726    HA   LYS  31           HA       LYS  31 -11.617   5.908  -3.488
  727   1HB   LYS  31          1HB       LYS  31 -12.363   8.237  -4.417
  728   2HB   LYS  31          2HB       LYS  31 -11.351   7.852  -5.822
  729   1HG   LYS  31          1HG       LYS  31 -12.665   5.768  -6.167
  730   2HG   LYS  31          2HG       LYS  31 -13.614   6.124  -4.709
  731   1HD   LYS  31          1HD       LYS  31 -14.321   8.314  -5.767
  732   2HD   LYS  31          2HD       LYS  31 -13.536   7.794  -7.269
  733   1HE   LYS  31          1HE       LYS  31 -15.820   6.358  -5.813
  734   2HE   LYS  31          2HE       LYS  31 -15.982   7.337  -7.280
  735   1HZ   LYS  31          1HZ       LYS  31 -14.559   5.770  -8.403
  736   2HZ   LYS  31          2HZ       LYS  31 -14.429   4.854  -7.040
  737   3HZ   LYS  31          3HZ       LYS  31 -15.887   5.019  -7.782
  738    H    ILE  32           H        ILE  32  -8.827   7.253  -5.145
  739    HA   ILE  32           HA       ILE  32  -8.339   5.004  -6.895
  740    HB   ILE  32           HB       ILE  32  -6.426   7.087  -5.726
  741   1HG1  ILE  32          1HG1      ILE  32  -7.595   6.890  -8.547
  742   2HG1  ILE  32          2HG1      ILE  32  -8.253   7.946  -7.303
  743   1HG2  ILE  32          1HG2      ILE  32  -5.282   4.947  -6.458
  744   2HG2  ILE  32          2HG2      ILE  32  -6.063   5.145  -8.033
  745   3HG2  ILE  32          3HG2      ILE  32  -4.846   6.303  -7.480
  746   1HD1  ILE  32          1HD1      ILE  32  -6.028   9.091  -7.119
  747   2HD1  ILE  32          2HD1      ILE  32  -5.450   8.126  -8.493
  748   3HD1  ILE  32          3HD1      ILE  32  -6.791   9.242  -8.717
  749    H    LEU  33           H        LEU  33  -7.177   6.010  -3.603
  750    HA   LEU  33           HA       LEU  33  -5.405   3.912  -3.564
  751   1HB   LEU  33          1HB       LEU  33  -4.759   4.550  -1.405
  752   2HB   LEU  33          2HB       LEU  33  -5.356   6.014  -2.191
  753    HG   LEU  33           HG       LEU  33  -7.544   5.460  -1.076
  754   1HD1  LEU  33          1HD1      LEU  33  -7.801   3.650   0.131
  755   2HD1  LEU  33          2HD1      LEU  33  -6.097   3.228  -0.076
  756   3HD1  LEU  33          3HD1      LEU  33  -6.597   4.256   1.279
  757   1HD2  LEU  33          1HD2      LEU  33  -5.170   6.142   0.677
  758   2HD2  LEU  33          2HD2      LEU  33  -5.919   7.289  -0.475
  759   3HD2  LEU  33          3HD2      LEU  33  -6.830   6.703   0.934
  760    H    GLU  34           H        GLU  34  -8.764   4.191  -2.506
  761    HA   GLU  34           HA       GLU  34  -9.111   1.854  -0.972
  762   1HB   GLU  34          1HB       GLU  34 -10.756   3.818  -1.401
  763   2HB   GLU  34          2HB       GLU  34 -11.167   3.040  -2.906
  764   1HG   GLU  34          1HG       GLU  34 -11.929   1.037  -1.654
  765   2HG   GLU  34          2HG       GLU  34 -11.325   1.731  -0.140
  766    H    ASP  35           H        ASP  35  -9.450   2.494  -4.410
  767    HA   ASP  35           HA       ASP  35 -10.071  -0.086  -5.349
  768   1HB   ASP  35          1HB       ASP  35  -9.620   2.336  -6.557
  769   2HB   ASP  35          2HB       ASP  35  -8.145   1.493  -7.001
  770    H    GLU  36           H        GLU  36  -6.839   1.436  -4.902
  771    HA   GLU  36           HA       GLU  36  -5.351  -0.876  -5.533
  772   1HB   GLU  36          1HB       GLU  36  -4.505   1.344  -3.630
  773   2HB   GLU  36          2HB       GLU  36  -3.484   0.126  -4.396
  774   1HG   GLU  36          1HG       GLU  36  -4.762   1.148  -6.610
  775   2HG   GLU  36          2HG       GLU  36  -4.710   2.590  -5.595
  776    H    GLU  37           H        GLU  37  -6.456   0.163  -2.232
  777    HA   GLU  37           HA       GLU  37  -5.535  -1.889  -0.695
  778   1HB   GLU  37          1HB       GLU  37  -7.205   0.235  -0.405
  779   2HB   GLU  37          2HB       GLU  37  -8.399  -1.059  -0.313
  780   1HG   GLU  37          1HG       GLU  37  -5.827  -1.022   1.322
  781   2HG   GLU  37          2HG       GLU  37  -7.263  -0.107   1.756
  782    H    LYS  38           H        LYS  38  -8.411  -2.074  -2.815
  783    HA   LYS  38           HA       LYS  38  -9.032  -4.821  -2.134
  784   1HB   LYS  38          1HB       LYS  38 -10.518  -3.055  -3.223
  785   2HB   LYS  38          2HB       LYS  38  -9.575  -3.281  -4.701
  786   1HG   LYS  38          1HG       LYS  38 -10.161  -5.758  -4.629
  787   2HG   LYS  38          2HG       LYS  38 -11.226  -5.415  -3.254
  788   1HD   LYS  38          1HD       LYS  38 -12.565  -3.888  -4.683
  789   2HD   LYS  38          2HD       LYS  38 -11.435  -4.147  -6.031
  790   1HE   LYS  38          1HE       LYS  38 -11.972  -6.590  -6.008
  791   2HE   LYS  38          2HE       LYS  38 -13.133  -6.317  -4.695
  792   1HZ   LYS  38          1HZ       LYS  38 -14.362  -4.896  -6.176
  793   2HZ   LYS  38          2HZ       LYS  38 -13.273  -5.151  -7.389
  794   3HZ   LYS  38          3HZ       LYS  38 -14.188  -6.401  -6.826
  795    H    HIS  39           H        HIS  39  -6.987  -3.428  -4.733
  796    HA   HIS  39           HA       HIS  39  -6.444  -5.958  -5.978
  797   1HB   HIS  39          1HB       HIS  39  -4.956  -3.308  -5.875
  798   2HB   HIS  39          2HB       HIS  39  -4.287  -4.707  -6.685
  799    HD1  HIS  39           HD1      HIS  39  -6.176  -5.891  -8.484
  800    HD2  HIS  39           HD2      HIS  39  -6.662  -1.868  -7.353
  801    HE1  HIS  39           HE1      HIS  39  -7.788  -4.893 -10.162
  802    HE2  HIS  39           HE2      HIS  39  -8.059  -2.384  -9.478
  803    H    ILE  40           H        ILE  40  -5.133  -4.397  -3.147
  804    HA   ILE  40           HA       ILE  40  -2.871  -6.215  -2.839
  805    HB   ILE  40           HB       ILE  40  -4.074  -4.274  -0.815
  806   1HG1  ILE  40          1HG1      ILE  40  -1.728  -3.845  -2.660
  807   2HG1  ILE  40          2HG1      ILE  40  -3.272  -3.276  -3.122
  808   1HG2  ILE  40          1HG2      ILE  40  -2.509  -5.971   0.156
  809   2HG2  ILE  40          2HG2      ILE  40  -1.303  -5.584  -1.085
  810   3HG2  ILE  40          3HG2      ILE  40  -1.727  -4.398   0.149
  811   1HD1  ILE  40          1HD1      ILE  40  -3.534  -1.782  -1.316
  812   2HD1  ILE  40          2HD1      ILE  40  -2.098  -2.344  -0.478
  813   3HD1  ILE  40          3HD1      ILE  40  -1.956  -1.498  -2.033
  814    H    GLU  41           H        GLU  41  -6.143  -5.760  -1.537
  815    HA   GLU  41           HA       GLU  41  -6.179  -7.684   0.434
  816   1HB   GLU  41          1HB       GLU  41  -7.987  -6.065  -0.085
  817   2HB   GLU  41          2HB       GLU  41  -8.458  -7.033  -1.492
  818   1HG   GLU  41          1HG       GLU  41  -8.308  -8.575   1.025
  819   2HG   GLU  41          2HG       GLU  41  -9.488  -7.256   1.030
  820    H    TRP  42           H        TRP  42  -6.623  -8.254  -3.134
  821    HA   TRP  42           HA       TRP  42  -7.206 -10.904  -2.916
  822   1HB   TRP  42          1HB       TRP  42  -7.032  -9.593  -5.015
  823   2HB   TRP  42          2HB       TRP  42  -5.289  -9.717  -4.955
  824    HD1  TRP  42           HD1      TRP  42  -8.050 -12.249  -4.477
  825    HE1  TRP  42           HE1      TRP  42  -7.296 -14.593  -5.501
  826    HE3  TRP  42           HE3      TRP  42  -3.563 -10.872  -6.182
  827    HZ2  TRP  42           HZ2      TRP  42  -5.056 -15.548  -7.056
  828    HZ3  TRP  42           HZ3      TRP  42  -1.993 -12.521  -7.195
  829    HH2  TRP  42           HH2      TRP  42  -2.783 -14.812  -7.779
  830    H    LEU  43           H        LEU  43  -4.050  -9.435  -2.664
  831    HA   LEU  43           HA       LEU  43  -2.521 -11.942  -2.687
  832   1HB   LEU  43          1HB       LEU  43  -1.730  -9.198  -1.604
  833   2HB   LEU  43          2HB       LEU  43  -0.701 -10.625  -1.644
  834    HG   LEU  43           HG       LEU  43  -1.555 -10.511  -4.277
  835   1HD1  LEU  43          1HD1      LEU  43  -2.613  -8.294  -3.877
  836   2HD1  LEU  43          2HD1      LEU  43  -1.038  -7.641  -3.370
  837   3HD1  LEU  43          3HD1      LEU  43  -1.280  -8.195  -5.037
  838   1HD2  LEU  43          1HD2      LEU  43   0.882  -9.191  -3.011
  839   2HD2  LEU  43          2HD2      LEU  43   0.766 -10.890  -3.525
  840   3HD2  LEU  43          3HD2      LEU  43   0.716  -9.595  -4.736
  841    H    GLU  44           H        GLU  44  -4.174  -9.994  -0.202
  842    HA   GLU  44           HA       GLU  44  -3.423 -11.909   1.919
  843   1HB   GLU  44          1HB       GLU  44  -4.909  -9.311   1.717
  844   2HB   GLU  44          2HB       GLU  44  -5.383 -10.358   3.043
  845   1HG   GLU  44          1HG       GLU  44  -2.455  -9.921   2.602
  846   2HG   GLU  44          2HG       GLU  44  -3.425  -8.634   3.349
  847    H    THR  45           H        THR  45  -4.921 -12.967  -0.519
  848    HA   THR  45           HA       THR  45  -6.734 -14.543   1.219
  849    HB   THR  45           HB       THR  45  -7.816 -12.362   0.195
  850    HG1  THR  45           HG1      THR  45  -8.924 -13.861   1.433
  851   1HG2  THR  45          1HG2      THR  45  -7.316 -12.898  -2.134
  852   2HG2  THR  45          2HG2      THR  45  -8.494 -14.216  -2.057
  853   3HG2  THR  45          3HG2      THR  45  -8.993 -12.521  -1.777
  854    H    ILE  46           H        ILE  46  -5.529 -13.983  -1.946
  855    HA   ILE  46           HA       ILE  46  -5.078 -15.286  -3.732
  856    HB   ILE  46           HB       ILE  46  -3.109 -15.163  -2.450
  857   1HG1  ILE  46          1HG1      ILE  46  -1.775 -16.948  -3.249
  858   2HG1  ILE  46          2HG1      ILE  46  -3.149 -18.039  -3.444
  859   1HG2  ILE  46          1HG2      ILE  46  -3.705 -16.032  -0.299
  860   2HG2  ILE  46          2HG2      ILE  46  -3.992 -17.658  -0.964
  861   3HG2  ILE  46          3HG2      ILE  46  -2.353 -16.975  -0.911
  862   1HD1  ILE  46          1HD1      ILE  46  -2.835 -15.396  -4.918
  863   2HD1  ILE  46          2HD1      ILE  46  -2.327 -16.967  -5.580
  864   3HD1  ILE  46          3HD1      ILE  46  -4.042 -16.676  -5.241
  865    H    LEU  47           H        LEU  47  -7.539 -15.791  -3.285
  866    HA   LEU  47           HA       LEU  47  -8.468 -18.369  -2.876
  867   1HB   LEU  47          1HB       LEU  47  -9.870 -16.400  -3.266
  868   2HB   LEU  47          2HB       LEU  47  -9.438 -16.372  -4.979
  869    HG   LEU  47           HG       LEU  47 -10.658 -18.882  -3.781
  870   1HD1  LEU  47          1HD1      LEU  47 -12.102 -17.061  -2.985
  871   2HD1  LEU  47          2HD1      LEU  47 -12.229 -16.419  -4.638
  872   3HD1  LEU  47          3HD1      LEU  47 -12.917 -18.007  -4.238
  873   1HD2  LEU  47          1HD2      LEU  47 -10.937 -17.544  -6.520
  874   2HD2  LEU  47          2HD2      LEU  47  -9.958 -18.981  -6.185
  875   3HD2  LEU  47          3HD2      LEU  47 -11.708 -19.061  -6.029
  876    H    GLY  48           H        GLY  48  -8.156 -20.260  -3.874
  877   1HA   GLY  48          1HA       GLY  48  -7.943 -21.463  -6.103
  878   2HA   GLY  48          2HA       GLY  48  -6.596 -20.355  -6.430
  879   1HN   NH2  49          1HN       NH2  49  -5.425 -20.092  -3.886
  880   2HN   NH2  49          2HN       NH2  49  -4.793 -21.677  -3.364
  Start of MODEL   13
    1   1H    ACE   0          H1        ACE   0  -1.139 -11.919   2.265
    2   2H    ACE   0          H2        ACE   0   0.377 -12.672   1.722
    3   3H    ACE   0          H3        ACE   0   0.224 -12.071   3.391
    4    H    ASP   1           H        ASP   1   2.205 -10.861   2.867
    5    HA   ASP   1           HA       ASP   1   1.777  -8.162   2.699
    6   1HB   ASP   1          1HB       ASP   1   3.878  -9.212   3.503
    7   2HB   ASP   1          2HB       ASP   1   4.330  -9.588   1.827
    8    H    TYR   2           H        TYR   2   2.676 -10.289  -0.026
    9    HA   TYR   2           HA       TYR   2   3.104  -8.632  -2.107
   10   1HB   TYR   2          1HB       TYR   2   1.290 -11.079  -2.172
   11   2HB   TYR   2          2HB       TYR   2   2.282 -10.432  -3.467
   12    HD1  TYR   2           HD1      TYR   2   2.136 -12.918  -0.972
   13    HD2  TYR   2           HD2      TYR   2   4.902 -10.230  -2.903
   14    HE1  TYR   2           HE1      TYR   2   4.038 -14.090   0.109
   15    HE2  TYR   2           HE2      TYR   2   6.792 -11.416  -1.845
   16    HH   TYR   2           HH       TYR   2   7.418 -13.056  -0.370
   17    H    LEU   3           H        LEU   3  -0.109  -9.432  -0.724
   18    HA   LEU   3           HA       LEU   3  -1.564  -8.204  -2.849
   19   1HB   LEU   3          1HB       LEU   3  -2.287  -8.755   0.076
   20   2HB   LEU   3          2HB       LEU   3  -3.465  -8.223  -1.118
   21    HG   LEU   3           HG       LEU   3  -1.834 -10.751  -1.608
   22   1HD1  LEU   3          1HD1      LEU   3  -2.847 -11.037   0.604
   23   2HD1  LEU   3          2HD1      LEU   3  -4.429 -10.531  -0.028
   24   3HD1  LEU   3          3HD1      LEU   3  -3.681 -12.041  -0.595
   25   1HD2  LEU   3          1HD2      LEU   3  -4.598  -9.795  -2.455
   26   2HD2  LEU   3          2HD2      LEU   3  -3.156  -9.783  -3.489
   27   3HD2  LEU   3          3HD2      LEU   3  -3.844 -11.326  -2.949
   28    H    ARG   4           H        ARG   4  -0.430  -6.958   0.276
   29    HA   ARG   4           HA       ARG   4  -1.622  -4.344  -0.159
   30   1HB   ARG   4          1HB       ARG   4   0.497  -5.445   1.717
   31   2HB   ARG   4          2HB       ARG   4   0.203  -3.709   1.623
   32   1HG   ARG   4          1HG       ARG   4  -2.059  -5.684   2.076
   33   2HG   ARG   4          2HG       ARG   4  -1.113  -5.018   3.413
   34   1HD   ARG   4          1HD       ARG   4  -2.089  -2.938   3.271
   35   2HD   ARG   4          2HD       ARG   4  -2.062  -2.931   1.518
   36    HE   ARG   4           HE       ARG   4  -4.182  -3.671   1.408
   37   1HH1  ARG   4          1HH2      ARG   4  -2.950  -4.410   4.616
   38   2HH1  ARG   4          2HH2      ARG   4  -4.490  -4.894   5.274
   39   1HH2  ARG   4          1HH1      ARG   4  -6.199  -4.330   2.200
   40   2HH2  ARG   4          2HH1      ARG   4  -6.394  -4.860   3.845
   41    H    GLU   5           H        GLU   5   0.972  -5.954  -1.715
   42    HA   GLU   5           HA       GLU   5   2.524  -3.430  -2.085
   43   1HB   GLU   5          1HB       GLU   5   3.647  -5.585  -1.448
   44   2HB   GLU   5          2HB       GLU   5   3.180  -6.262  -3.007
   45   1HG   GLU   5          1HG       GLU   5   4.479  -4.495  -4.162
   46   2HG   GLU   5          2HG       GLU   5   4.891  -3.774  -2.595
   47    H    LEU   6           H        LEU   6   1.216  -6.092  -4.083
   48    HA   LEU   6           HA       LEU   6   1.324  -4.585  -6.532
   49   1HB   LEU   6          1HB       LEU   6   0.125  -7.269  -5.770
   50   2HB   LEU   6          2HB       LEU   6   0.128  -6.580  -7.399
   51    HG   LEU   6           HG       LEU   6   2.506  -6.737  -7.633
   52   1HD1  LEU   6          1HD1      LEU   6   3.282  -6.376  -5.340
   53   2HD1  LEU   6          2HD1      LEU   6   2.667  -7.991  -4.886
   54   3HD1  LEU   6          3HD1      LEU   6   3.963  -7.794  -6.092
   55   1HD2  LEU   6          1HD2      LEU   6   1.401  -9.344  -6.532
   56   2HD2  LEU   6          2HD2      LEU   6   0.721  -8.564  -7.964
   57   3HD2  LEU   6          3HD2      LEU   6   2.379  -9.080  -7.999
   58    H    LEU   7           H        LEU   7  -0.737  -4.000  -4.093
   59    HA   LEU   7           HA       LEU   7  -2.874  -3.296  -5.957
   60   1HB   LEU   7          1HB       LEU   7  -3.664  -4.977  -4.281
   61   2HB   LEU   7          2HB       LEU   7  -3.139  -3.885  -2.986
   62    HG   LEU   7           HG       LEU   7  -4.804  -2.201  -3.676
   63   1HD1  LEU   7          1HD1      LEU   7  -5.034  -2.645  -6.070
   64   2HD1  LEU   7          2HD1      LEU   7  -5.608  -4.292  -5.745
   65   3HD1  LEU   7          3HD1      LEU   7  -6.599  -2.892  -5.292
   66   1HD2  LEU   7          1HD2      LEU   7  -5.899  -5.003  -3.218
   67   2HD2  LEU   7          2HD2      LEU   7  -5.357  -3.870  -1.969
   68   3HD2  LEU   7          3HD2      LEU   7  -6.790  -3.490  -2.942
   69    H    LYS   8           H        LYS   8  -1.028  -2.298  -3.067
   70    HA   LYS   8           HA       LYS   8  -2.489   0.094  -2.886
   71   1HB   LYS   8          1HB       LYS   8  -1.429  -1.116  -1.007
   72   2HB   LYS   8          2HB       LYS   8   0.166  -0.544  -1.554
   73   1HG   LYS   8          1HG       LYS   8  -0.271   1.652  -0.893
   74   2HG   LYS   8          2HG       LYS   8  -2.018   1.486  -1.078
   75   1HD   LYS   8          1HD       LYS   8  -1.442   1.663   1.278
   76   2HD   LYS   8          2HD       LYS   8  -2.154   0.079   0.928
   77   1HE   LYS   8          1HE       LYS   8   0.140  -0.932   0.876
   78   2HE   LYS   8          2HE       LYS   8   0.837   0.660   1.223
   79   1HZ   LYS   8          1HZ       LYS   8  -0.363   0.649   3.294
   80   2HZ   LYS   8          2HZ       LYS   8  -1.008  -0.830   2.957
   81   3HZ   LYS   8          3HZ       LYS   8   0.618  -0.670   3.180
   82    H    LEU   9           H        LEU   9   0.696  -0.837  -4.150
   83    HA   LEU   9           HA       LEU   9   1.639   1.767  -4.895
   84   1HB   LEU   9          1HB       LEU   9   2.191  -0.933  -6.152
   85   2HB   LEU   9          2HB       LEU   9   3.108   0.558  -6.430
   86    HG   LEU   9           HG       LEU   9   2.880  -0.778  -3.705
   87   1HD1  LEU   9          1HD1      LEU   9   4.018  -2.251  -5.320
   88   2HD1  LEU   9          2HD1      LEU   9   5.104  -0.927  -5.786
   89   3HD1  LEU   9          3HD1      LEU   9   5.165  -1.594  -4.140
   90   1HD2  LEU   9          1HD2      LEU   9   4.705   1.419  -4.793
   91   2HD2  LEU   9          2HD2      LEU   9   3.442   1.621  -3.557
   92   3HD2  LEU   9          3HD2      LEU   9   4.870   0.642  -3.207
   93    H    GLU  10           H        GLU  10  -0.285  -0.676  -6.649
   94    HA   GLU  10           HA       GLU  10  -0.623   0.695  -9.180
   95   1HB   GLU  10          1HB       GLU  10  -2.446  -1.214  -7.643
   96   2HB   GLU  10          2HB       GLU  10  -2.649  -0.634  -9.292
   97   1HG   GLU  10          1HG       GLU  10  -1.840  -3.011  -9.023
   98   2HG   GLU  10          2HG       GLU  10  -0.939  -2.012 -10.144
   99    H    LEU  11           H        LEU  11  -2.579   0.701  -6.168
  100    HA   LEU  11           HA       LEU  11  -4.578   2.441  -7.124
  101   1HB   LEU  11          1HB       LEU  11  -4.452   1.020  -4.915
  102   2HB   LEU  11          2HB       LEU  11  -3.599   2.410  -4.243
  103    HG   LEU  11           HG       LEU  11  -5.688   3.775  -5.130
  104   1HD1  LEU  11          1HD1      LEU  11  -6.679   1.853  -6.412
  105   2HD1  LEU  11          2HD1      LEU  11  -6.846   0.951  -4.894
  106   3HD1  LEU  11          3HD1      LEU  11  -7.771   2.442  -5.148
  107   1HD2  LEU  11          1HD2      LEU  11  -5.122   3.503  -2.761
  108   2HD2  LEU  11          2HD2      LEU  11  -6.870   3.313  -2.996
  109   3HD2  LEU  11          3HD2      LEU  11  -5.848   1.880  -2.747
  110    H    GLN  12           H        GLN  12  -1.543   3.243  -5.345
  111    HA   GLN  12           HA       GLN  12  -1.960   6.087  -5.418
  112   1HB   GLN  12          1HB       GLN  12   0.621   4.439  -5.356
  113   2HB   GLN  12          2HB       GLN  12   0.594   6.190  -5.425
  114   1HG   GLN  12          1HG       GLN  12   0.735   6.091  -3.208
  115   2HG   GLN  12          2HG       GLN  12  -1.022   5.981  -3.307
  116   1HE2  GLN  12          2HE2      GLN  12   1.727   3.666  -3.724
  117   2HE2  GLN  12          1HE2      GLN  12   1.099   2.486  -2.594
  118    H    LEU  13           H        LEU  13  -0.652   3.852  -7.870
  119    HA   LEU  13           HA       LEU  13   0.360   5.928  -9.512
  120   1HB   LEU  13          1HB       LEU  13  -0.371   3.142 -10.392
  121   2HB   LEU  13          2HB       LEU  13   0.561   4.355 -11.254
  122    HG   LEU  13           HG       LEU  13   1.329   2.561  -9.073
  123   1HD1  LEU  13          1HD1      LEU  13   2.171   2.495 -11.435
  124   2HD1  LEU  13          2HD1      LEU  13   3.002   4.034 -11.149
  125   3HD1  LEU  13          3HD1      LEU  13   3.464   2.594 -10.221
  126   1HD2  LEU  13          1HD2      LEU  13   2.572   5.363  -9.127
  127   2HD2  LEU  13          2HD2      LEU  13   1.729   4.631  -7.744
  128   3HD2  LEU  13          3HD2      LEU  13   3.249   3.956  -8.286
  129    H    ILE  14           H        ILE  14  -2.739   4.139  -9.527
  130    HA   ILE  14           HA       ILE  14  -3.928   5.507 -11.747
  131    HB   ILE  14           HB       ILE  14  -5.209   4.456  -9.173
  132   1HG1  ILE  14          1HG1      ILE  14  -4.195   2.628 -10.263
  133   2HG1  ILE  14          2HG1      ILE  14  -5.884   2.559 -10.723
  134   1HG2  ILE  14          1HG2      ILE  14  -6.774   6.029 -10.255
  135   2HG2  ILE  14          2HG2      ILE  14  -6.580   5.192 -11.804
  136   3HG2  ILE  14          3HG2      ILE  14  -7.327   4.366 -10.429
  137   1HD1  ILE  14          1HD1      ILE  14  -5.161   3.836 -12.875
  138   2HD1  ILE  14          2HD1      ILE  14  -3.495   3.441 -12.379
  139   3HD1  ILE  14          3HD1      ILE  14  -4.652   2.155 -12.719
  140    H    LYS  15           H        LYS  15  -3.953   6.409  -8.396
  141    HA   LYS  15           HA       LYS  15  -5.082   8.957  -8.474
  142   1HB   LYS  15          1HB       LYS  15  -3.826   7.321  -6.561
  143   2HB   LYS  15          2HB       LYS  15  -2.739   8.671  -6.704
  144   1HG   LYS  15          1HG       LYS  15  -4.125   9.383  -5.016
  145   2HG   LYS  15          2HG       LYS  15  -4.960  10.119  -6.393
  146   1HD   LYS  15          1HD       LYS  15  -6.493   8.099  -6.456
  147   2HD   LYS  15          2HD       LYS  15  -5.600   7.415  -5.087
  148   1HE   LYS  15          1HE       LYS  15  -6.213   9.465  -3.727
  149   2HE   LYS  15          2HE       LYS  15  -7.256   9.979  -5.068
  150   1HZ   LYS  15          1HZ       LYS  15  -8.465   7.917  -4.797
  151   2HZ   LYS  15          2HZ       LYS  15  -7.492   7.477  -3.542
  152   3HZ   LYS  15          3HZ       LYS  15  -8.468   8.795  -3.402
  153    H    GLN  16           H        GLN  16  -1.602   8.010  -8.936
  154    HA   GLN  16           HA       GLN  16  -0.689  10.700  -9.405
  155   1HB   GLN  16          1HB       GLN  16   0.442   7.997  -9.512
  156   2HB   GLN  16          2HB       GLN  16   0.964   8.931 -10.895
  157   1HG   GLN  16          1HG       GLN  16   2.630   9.403  -9.464
  158   2HG   GLN  16          2HG       GLN  16   1.581  10.769  -9.092
  159   1HE2  GLN  16          2HE2      GLN  16   1.262  11.058  -6.861
  160   2HE2  GLN  16          1HE2      GLN  16   1.511   9.776  -5.682
  161    H    TYR  17           H        TYR  17  -2.024   8.198 -11.477
  162    HA   TYR  17           HA       TYR  17  -1.388   9.366 -14.005
  163   1HB   TYR  17          1HB       TYR  17  -3.125   7.133 -12.967
  164   2HB   TYR  17          2HB       TYR  17  -3.595   7.856 -14.468
  165    HD1  TYR  17           HD1      TYR  17  -2.222   7.879 -16.414
  166    HD2  TYR  17           HD2      TYR  17  -1.581   5.270 -13.092
  167    HE1  TYR  17           HE1      TYR  17  -1.081   6.279 -17.925
  168    HE2  TYR  17           HE2      TYR  17  -0.585   3.597 -14.604
  169    HH   TYR  17           HH       TYR  17   0.163   4.305 -18.022
  170    H    ARG  18           H        ARG  18  -3.990   9.712 -11.693
  171    HA   ARG  18           HA       ARG  18  -5.744  11.270 -13.444
  172   1HB   ARG  18          1HB       ARG  18  -5.741  10.721 -10.450
  173   2HB   ARG  18          2HB       ARG  18  -6.906  11.793 -11.234
  174   1HG   ARG  18          1HG       ARG  18  -7.794  10.022 -12.590
  175   2HG   ARG  18          2HG       ARG  18  -6.522   8.897 -12.098
  176   1HD   ARG  18          1HD       ARG  18  -7.291   8.854  -9.818
  177   2HD   ARG  18          2HD       ARG  18  -8.470  10.136 -10.092
  178    HE   ARG  18           HE       ARG  18  -8.685   7.296 -10.735
  179   1HH1  ARG  18          1HH2      ARG  18  -9.863  10.500 -11.598
  180   2HH1  ARG  18          2HH2      ARG  18 -11.411   9.950 -12.182
  181   1HH2  ARG  18          1HH1      ARG  18 -10.674   6.530 -11.522
  182   2HH2  ARG  18          2HH1      ARG  18 -11.870   7.621 -12.160
  183    H    GLU  19           H        GLU  19  -3.450  11.846 -10.859
  184    HA   GLU  19           HA       GLU  19  -3.566  14.669 -10.760
  185   1HB   GLU  19          1HB       GLU  19  -2.240  13.074  -9.236
  186   2HB   GLU  19          2HB       GLU  19  -1.002  13.089 -10.503
  187   1HG   GLU  19          1HG       GLU  19  -0.970  15.618 -10.322
  188   2HG   GLU  19          2HG       GLU  19  -2.016  15.459  -8.899
  189    H    ALA  20           H        ALA  20  -1.605  12.478 -12.895
  190    HA   ALA  20           HA       ALA  20  -0.403  14.829 -14.181
  191   1HB   ALA  20          1HB       ALA  20   0.899  12.900 -13.898
  192   2HB   ALA  20          2HB       ALA  20  -0.292  11.866 -14.707
  193   3HB   ALA  20          3HB       ALA  20   0.652  13.048 -15.646
  194    H    LEU  21           H        LEU  21  -3.047  12.602 -15.018
  195    HA   LEU  21           HA       LEU  21  -3.537  12.982 -17.638
  196   1HB   LEU  21          1HB       LEU  21  -4.958  11.594 -16.317
  197   2HB   LEU  21          2HB       LEU  21  -5.436  12.947 -15.288
  198    HG   LEU  21           HG       LEU  21  -6.741  13.939 -17.131
  199   1HD1  LEU  21          1HD1      LEU  21  -5.457  12.942 -19.073
  200   2HD1  LEU  21          2HD1      LEU  21  -6.123  11.359 -18.617
  201   3HD1  LEU  21          3HD1      LEU  21  -7.200  12.649 -19.168
  202   1HD2  LEU  21          1HD2      LEU  21  -7.363  11.026 -16.494
  203   2HD2  LEU  21          2HD2      LEU  21  -7.772  12.427 -15.485
  204   3HD2  LEU  21          3HD2      LEU  21  -8.527  12.240 -17.079
  205    H    GLU  22           H        GLU  22  -4.573  15.327 -15.138
  206    HA   GLU  22           HA       GLU  22  -5.863  17.012 -17.114
  207   1HB   GLU  22          1HB       GLU  22  -5.239  17.450 -14.162
  208   2HB   GLU  22          2HB       GLU  22  -6.167  18.572 -15.170
  209   1HG   GLU  22          1HG       GLU  22  -6.951  15.656 -14.673
  210   2HG   GLU  22          2HG       GLU  22  -7.627  17.056 -13.833
  211    H    TYR  23           H        TYR  23  -2.717  17.033 -15.440
  212    HA   TYR  23           HA       TYR  23  -1.907  19.624 -16.412
  213   1HB   TYR  23          1HB       TYR  23  -0.590  17.192 -15.187
  214   2HB   TYR  23          2HB       TYR  23   0.412  18.335 -16.030
  215    HD1  TYR  23           HD1      TYR  23   0.050  20.897 -15.421
  216    HD2  TYR  23           HD2      TYR  23  -0.963  17.581 -12.860
  217    HE1  TYR  23           HE1      TYR  23   0.090  22.400 -13.449
  218    HE2  TYR  23           HE2      TYR  23  -0.880  19.072 -10.895
  219    HH   TYR  23           HH       TYR  23  -0.557  21.224 -10.140
  220    H    VAL  24           H        VAL  24  -1.839  16.317 -17.690
  221    HA   VAL  24           HA       VAL  24  -0.171  17.117 -19.976
  222    HB   VAL  24           HB       VAL  24  -1.480  14.499 -19.198
  223   1HG1  VAL  24          1HG1      VAL  24  -1.197  14.462 -21.619
  224   2HG1  VAL  24          2HG1      VAL  24   0.427  15.171 -21.488
  225   3HG1  VAL  24          3HG1      VAL  24   0.124  13.524 -20.911
  226   1HG2  VAL  24          1HG2      VAL  24   1.441  15.399 -19.152
  227   2HG2  VAL  24          2HG2      VAL  24   0.414  15.291 -17.717
  228   3HG2  VAL  24          3HG2      VAL  24   0.814  13.827 -18.620
  229    H    LYS  25           H        LYS  25  -3.603  16.648 -19.355
  230    HA   LYS  25           HA       LYS  25  -5.454  17.011 -20.563
  231   1HB   LYS  25          1HB       LYS  25  -3.709  18.739 -22.364
  232   2HB   LYS  25          2HB       LYS  25  -5.471  18.762 -22.243
  233   1HG   LYS  25          1HG       LYS  25  -5.278  19.445 -19.844
  234   2HG   LYS  25          2HG       LYS  25  -3.515  19.528 -20.029
  235   1HD   LYS  25          1HD       LYS  25  -3.744  21.217 -21.807
  236   2HD   LYS  25          2HD       LYS  25  -5.516  21.110 -21.713
  237   1HE   LYS  25          1HE       LYS  25  -5.422  21.884 -19.336
  238   2HE   LYS  25          2HE       LYS  25  -3.661  22.037 -19.467
  239   1HZ   LYS  25          1HZ       LYS  25  -3.995  23.661 -21.191
  240   2HZ   LYS  25          2HZ       LYS  25  -5.632  23.506 -21.083
  241   3HZ   LYS  25          3HZ       LYS  25  -4.778  24.118 -19.815
  242    H    LEU  26           H        LEU  26  -4.358  14.563 -21.100
  243    HA   LEU  26           HA       LEU  26  -4.891  14.193 -24.035
  244   1HB   LEU  26          1HB       LEU  26  -2.542  13.823 -23.602
  245   2HB   LEU  26          2HB       LEU  26  -2.937  12.746 -22.265
  246    HG   LEU  26           HG       LEU  26  -4.181  11.313 -24.045
  247   1HD1  LEU  26          1HD1      LEU  26  -4.036  12.892 -25.990
  248   2HD1  LEU  26          2HD1      LEU  26  -2.262  12.775 -25.917
  249   3HD1  LEU  26          3HD1      LEU  26  -3.225  11.358 -26.321
  250   1HD2  LEU  26          1HD2      LEU  26  -1.150  11.416 -24.139
  251   2HD2  LEU  26          2HD2      LEU  26  -2.117  10.553 -22.919
  252   3HD2  LEU  26          3HD2      LEU  26  -2.196  10.066 -24.596
  253    HA   PRO  27           HA       PRO  27  -8.173  11.808 -21.953
  254   1HB   PRO  27          1HB       PRO  27  -9.616  10.998 -24.147
  255   2HB   PRO  27          2HB       PRO  27  -9.729  12.616 -23.403
  256   1HG   PRO  27          1HG       PRO  27  -8.085  11.800 -25.807
  257   2HG   PRO  27          2HG       PRO  27  -9.145  13.229 -25.634
  258   1HD   PRO  27          1HD       PRO  27  -6.461  13.392 -25.302
  259   2HD   PRO  27          2HD       PRO  27  -7.553  14.344 -24.253
  260    H    VAL  28           H        VAL  28  -6.210  10.573 -24.712
  261    HA   VAL  28           HA       VAL  28  -6.527   7.815 -24.387
  262    HB   VAL  28           HB       VAL  28  -4.275   9.519 -25.263
  263   1HG1  VAL  28          1HG1      VAL  28  -2.988   7.906 -23.910
  264   2HG1  VAL  28          2HG1      VAL  28  -3.904   6.564 -24.637
  265   3HG1  VAL  28          3HG1      VAL  28  -2.800   7.532 -25.617
  266   1HG2  VAL  28          1HG2      VAL  28  -5.470   7.044 -26.532
  267   2HG2  VAL  28          2HG2      VAL  28  -5.959   8.721 -26.901
  268   3HG2  VAL  28          3HG2      VAL  28  -4.316   8.164 -27.259
  269    H    LEU  29           H        LEU  29  -4.780  10.103 -22.256
  270    HA   LEU  29           HA       LEU  29  -3.385   8.158 -20.758
  271   1HB   LEU  29          1HB       LEU  29  -3.418  10.910 -21.034
  272   2HB   LEU  29          2HB       LEU  29  -4.215  10.772 -19.479
  273    HG   LEU  29           HG       LEU  29  -1.683   9.268 -20.053
  274   1HD1  LEU  29          1HD1      LEU  29  -1.139  11.485 -20.861
  275   2HD1  LEU  29          2HD1      LEU  29  -1.819  12.230 -19.397
  276   3HD1  LEU  29          3HD1      LEU  29  -0.348  11.236 -19.295
  277   1HD2  LEU  29          1HD2      LEU  29  -2.556  10.798 -17.544
  278   2HD2  LEU  29          2HD2      LEU  29  -3.102   9.147 -17.884
  279   3HD2  LEU  29          3HD2      LEU  29  -1.361   9.497 -17.684
  280    H    ALA  30           H        ALA  30  -6.556   9.748 -20.271
  281    HA   ALA  30           HA       ALA  30  -7.110   8.300 -17.856
  282   1HB   ALA  30          1HB       ALA  30  -8.341  10.385 -18.531
  283   2HB   ALA  30          2HB       ALA  30  -9.090   9.495 -19.867
  284   3HB   ALA  30          3HB       ALA  30  -9.435   9.034 -18.187
  285    H    LYS  31           H        LYS  31  -7.610   7.642 -21.348
  286    HA   LYS  31           HA       LYS  31  -9.374   5.396 -20.818
  287   1HB   LYS  31          1HB       LYS  31  -8.150   6.629 -23.214
  288   2HB   LYS  31          2HB       LYS  31  -8.414   4.888 -23.352
  289   1HG   LYS  31          1HG       LYS  31 -10.548   6.805 -22.340
  290   2HG   LYS  31          2HG       LYS  31 -10.376   6.394 -24.053
  291   1HD   LYS  31          1HD       LYS  31 -11.325   4.338 -23.811
  292   2HD   LYS  31          2HD       LYS  31 -10.368   3.957 -22.385
  293   1HE   LYS  31          1HE       LYS  31 -12.717   3.924 -21.812
  294   2HE   LYS  31          2HE       LYS  31 -11.898   5.225 -20.938
  295   1HZ   LYS  31          1HZ       LYS  31 -12.774   6.769 -22.530
  296   2HZ   LYS  31          2HZ       LYS  31 -13.505   5.554 -23.377
  297   3HZ   LYS  31          3HZ       LYS  31 -13.994   5.902 -21.842
  298    H    ILE  32           H        ILE  32  -5.923   5.682 -21.272
  299    HA   ILE  32           HA       ILE  32  -5.190   2.903 -21.215
  300    HB   ILE  32           HB       ILE  32  -3.844   5.559 -20.561
  301   1HG1  ILE  32          1HG1      ILE  32  -3.197   3.376 -22.588
  302   2HG1  ILE  32          2HG1      ILE  32  -4.171   4.806 -22.916
  303   1HG2  ILE  32          1HG2      ILE  32  -2.883   4.193 -18.865
  304   2HG2  ILE  32          2HG2      ILE  32  -2.752   2.813 -19.959
  305   3HG2  ILE  32          3HG2      ILE  32  -1.704   4.235 -20.157
  306   1HD1  ILE  32          1HD1      ILE  32  -2.184   6.235 -22.245
  307   2HD1  ILE  32          2HD1      ILE  32  -1.208   4.748 -22.219
  308   3HD1  ILE  32          3HD1      ILE  32  -1.971   5.268 -23.719
  309    H    LEU  33           H        LEU  33  -5.384   5.500 -18.719
  310    HA   LEU  33           HA       LEU  33  -4.680   3.672 -16.733
  311   1HB   LEU  33          1HB       LEU  33  -4.722   5.447 -15.259
  312   2HB   LEU  33          2HB       LEU  33  -4.563   6.239 -16.822
  313    HG   LEU  33           HG       LEU  33  -7.071   6.535 -16.771
  314   1HD1  LEU  33          1HD1      LEU  33  -8.139   5.359 -15.202
  315   2HD1  LEU  33          2HD1      LEU  33  -6.688   5.215 -14.182
  316   3HD1  LEU  33          3HD1      LEU  33  -7.687   6.696 -14.143
  317   1HD2  LEU  33          1HD2      LEU  33  -5.647   7.899 -14.503
  318   2HD2  LEU  33          2HD2      LEU  33  -5.218   8.239 -16.207
  319   3HD2  LEU  33          3HD2      LEU  33  -6.849   8.584 -15.601
  320    H    GLU  34           H        GLU  34  -7.876   4.485 -17.997
  321    HA   GLU  34           HA       GLU  34  -9.490   3.344 -15.995
  322   1HB   GLU  34          1HB       GLU  34 -10.138   4.652 -18.130
  323   2HB   GLU  34          2HB       GLU  34 -10.033   3.125 -18.986
  324   1HG   GLU  34          1HG       GLU  34 -11.738   2.152 -17.443
  325   2HG   GLU  34          2HG       GLU  34 -11.811   3.688 -16.562
  326    H    ASP  35           H        ASP  35  -8.029   1.892 -18.882
  327    HA   ASP  35           HA       ASP  35  -8.990  -0.760 -18.435
  328   1HB   ASP  35          1HB       ASP  35  -8.006   0.025 -20.595
  329   2HB   ASP  35          2HB       ASP  35  -6.402   0.027 -19.836
  330    H    GLU  36           H        GLU  36  -5.931   0.832 -17.456
  331    HA   GLU  36           HA       GLU  36  -4.815  -1.341 -16.020
  332   1HB   GLU  36          1HB       GLU  36  -4.712   1.605 -15.226
  333   2HB   GLU  36          2HB       GLU  36  -3.636   0.343 -14.657
  334   1HG   GLU  36          1HG       GLU  36  -3.785   1.029 -17.624
  335   2HG   GLU  36          2HG       GLU  36  -2.783   1.932 -16.483
  336    H    GLU  37           H        GLU  37  -7.199   1.146 -14.940
  337    HA   GLU  37           HA       GLU  37  -7.340   0.444 -12.303
  338   1HB   GLU  37          1HB       GLU  37  -8.534   2.263 -13.975
  339   2HB   GLU  37          2HB       GLU  37  -9.920   1.238 -13.634
  340   1HG   GLU  37          1HG       GLU  37  -8.064   2.409 -11.504
  341   2HG   GLU  37          2HG       GLU  37  -9.403   3.280 -12.239
  342    H    LYS  38           H        LYS  38  -9.212  -1.024 -14.988
  343    HA   LYS  38           HA       LYS  38 -10.639  -2.957 -13.342
  344   1HB   LYS  38          1HB       LYS  38 -11.234  -2.296 -15.722
  345   2HB   LYS  38          2HB       LYS  38  -9.705  -2.978 -16.251
  346   1HG   LYS  38          1HG       LYS  38 -10.937  -4.742 -16.808
  347   2HG   LYS  38          2HG       LYS  38 -10.721  -5.236 -15.137
  348   1HD   LYS  38          1HD       LYS  38 -13.119  -3.740 -16.305
  349   2HD   LYS  38          2HD       LYS  38 -13.045  -5.466 -15.912
  350   1HE   LYS  38          1HE       LYS  38 -12.622  -4.850 -13.494
  351   2HE   LYS  38          2HE       LYS  38 -12.881  -3.149 -13.931
  352   1HZ   LYS  38          1HZ       LYS  38 -15.071  -3.721 -14.653
  353   2HZ   LYS  38          2HZ       LYS  38 -14.842  -5.304 -14.246
  354   3HZ   LYS  38          3HZ       LYS  38 -14.841  -4.141 -13.076
  355    H    HIS  39           H        HIS  39  -7.540  -3.224 -15.109
  356    HA   HIS  39           HA       HIS  39  -7.068  -5.944 -14.362
  357   1HB   HIS  39          1HB       HIS  39  -5.375  -3.600 -15.248
  358   2HB   HIS  39          2HB       HIS  39  -4.580  -4.950 -14.463
  359    HD1  HIS  39           HD1      HIS  39  -3.404  -5.939 -16.552
  360    HD2  HIS  39           HD2      HIS  39  -7.598  -5.614 -16.806
  361    HE1  HIS  39           HE1      HIS  39  -4.153  -7.583 -18.362
  362    HE2  HIS  39           HE2      HIS  39  -6.698  -7.270 -18.610
  363    H    ILE  40           H        ILE  40  -6.448  -2.949 -12.654
  364    HA   ILE  40           HA       ILE  40  -4.958  -4.114 -10.451
  365    HB   ILE  40           HB       ILE  40  -6.214  -1.399 -10.900
  366   1HG1  ILE  40          1HG1      ILE  40  -3.261  -2.112 -10.726
  367   2HG1  ILE  40          2HG1      ILE  40  -4.102  -2.293 -12.244
  368   1HG2  ILE  40          1HG2      ILE  40  -6.080  -1.828  -8.456
  369   2HG2  ILE  40          2HG2      ILE  40  -4.386  -2.322  -8.632
  370   3HG2  ILE  40          3HG2      ILE  40  -4.879  -0.642  -8.937
  371   1HD1  ILE  40          1HD1      ILE  40  -4.773   0.017 -12.284
  372   2HD1  ILE  40          2HD1      ILE  40  -3.966   0.343 -10.749
  373   3HD1  ILE  40          3HD1      ILE  40  -3.007  -0.129 -12.166
  374    H    GLU  41           H        GLU  41  -8.335  -3.207 -11.179
  375    HA   GLU  41           HA       GLU  41  -9.428  -3.485  -8.641
  376   1HB   GLU  41          1HB       GLU  41 -10.597  -2.707 -10.816
  377   2HB   GLU  41          2HB       GLU  41 -10.828  -4.433 -11.174
  378   1HG   GLU  41          1HG       GLU  41 -11.938  -4.586  -8.858
  379   2HG   GLU  41          2HG       GLU  41 -11.907  -2.814  -8.850
  380    H    TRP  42           H        TRP  42  -8.669  -6.093 -11.074
  381    HA   TRP  42           HA       TRP  42  -9.824  -8.134  -9.680
  382   1HB   TRP  42          1HB       TRP  42  -8.605  -8.432 -11.792
  383   2HB   TRP  42          2HB       TRP  42  -7.071  -8.214 -10.965
  384    HD1  TRP  42           HD1      TRP  42 -10.076 -10.205  -9.939
  385    HE1  TRP  42           HE1      TRP  42  -9.310 -12.542  -8.983
  386    HE3  TRP  42           HE3      TRP  42  -5.180  -9.690 -10.657
  387    HZ2  TRP  42           HZ2      TRP  42  -6.800 -14.035  -8.873
  388    HZ3  TRP  42           HZ3      TRP  42  -3.573 -11.532 -10.263
  389    HH2  TRP  42           HH2      TRP  42  -4.353 -13.679  -9.258
  390    H    LEU  43           H        LEU  43  -6.741  -6.607  -9.083
  391    HA   LEU  43           HA       LEU  43  -5.877  -8.438  -6.991
  392   1HB   LEU  43          1HB       LEU  43  -4.826  -5.676  -7.681
  393   2HB   LEU  43          2HB       LEU  43  -4.128  -6.777  -6.501
  394    HG   LEU  43           HG       LEU  43  -4.490  -8.297  -8.919
  395   1HD1  LEU  43          1HD1      LEU  43  -4.550  -6.215 -10.153
  396   2HD1  LEU  43          2HD1      LEU  43  -3.078  -5.625  -9.343
  397   3HD1  LEU  43          3HD1      LEU  43  -3.003  -7.011 -10.452
  398   1HD2  LEU  43          1HD2      LEU  43  -1.988  -7.190  -7.619
  399   2HD2  LEU  43          2HD2      LEU  43  -2.781  -8.721  -7.190
  400   3HD2  LEU  43          3HD2      LEU  43  -2.059  -8.511  -8.799
  401    H    GLU  44           H        GLU  44  -8.370  -6.008  -6.939
  402    HA   GLU  44           HA       GLU  44  -8.041  -5.750  -4.043
  403   1HB   GLU  44          1HB       GLU  44  -9.380  -3.984  -4.062
  404   2HB   GLU  44          2HB       GLU  44  -8.882  -3.903  -5.756
  405   1HG   GLU  44          1HG       GLU  44 -11.020  -5.193  -6.311
  406   2HG   GLU  44          2HG       GLU  44 -11.414  -5.133  -4.607
  407    H    THR  45           H        THR  45  -9.532  -7.806  -6.267
  408    HA   THR  45           HA       THR  45 -11.771  -8.539  -4.477
  409    HB   THR  45           HB       THR  45 -11.997  -9.829  -6.891
  410    HG1  THR  45           HG1      THR  45 -10.914  -7.308  -7.511
  411   1HG2  THR  45          1HG2      THR  45 -13.800  -8.474  -5.780
  412   2HG2  THR  45          2HG2      THR  45 -12.927  -6.984  -6.221
  413   3HG2  THR  45          3HG2      THR  45 -13.635  -8.006  -7.492
  414    H    ILE  46           H        ILE  46  -8.770  -9.703  -5.632
  415    HA   ILE  46           HA       ILE  46  -8.919 -12.387  -5.751
  416    HB   ILE  46           HB       ILE  46  -6.915 -11.235  -6.247
  417   1HG1  ILE  46          1HG1      ILE  46  -5.151 -12.370  -4.875
  418   2HG1  ILE  46          2HG1      ILE  46  -6.398 -12.957  -3.768
  419   1HG2  ILE  46          1HG2      ILE  46  -7.141  -9.314  -4.707
  420   2HG2  ILE  46          2HG2      ILE  46  -6.625 -10.333  -3.365
  421   3HG2  ILE  46          3HG2      ILE  46  -5.528 -10.006  -4.726
  422   1HD1  ILE  46          1HD1      ILE  46  -7.537 -14.027  -5.783
  423   2HD1  ILE  46          2HD1      ILE  46  -6.156 -13.444  -6.740
  424   3HD1  ILE  46          3HD1      ILE  46  -5.905 -14.646  -5.452
  425    H    LEU  47           H        LEU  47 -10.189 -13.607  -4.447
  426    HA   LEU  47           HA       LEU  47  -9.406 -14.081  -1.710
  427   1HB   LEU  47          1HB       LEU  47 -10.984 -11.872  -1.882
  428   2HB   LEU  47          2HB       LEU  47 -12.255 -13.067  -1.963
  429    HG   LEU  47           HG       LEU  47 -12.001 -12.307   0.273
  430   1HD1  LEU  47          1HD1      LEU  47 -12.424 -14.762   0.007
  431   2HD1  LEU  47          2HD1      LEU  47 -10.682 -15.050   0.242
  432   3HD1  LEU  47          3HD1      LEU  47 -11.642 -14.324   1.537
  433   1HD2  LEU  47          1HD2      LEU  47  -9.061 -13.111   0.249
  434   2HD2  LEU  47          2HD2      LEU  47  -9.677 -11.457   0.085
  435   3HD2  LEU  47          3HD2      LEU  47  -9.967 -12.369   1.576
  436    H    GLY  48           H        GLY  48 -12.178 -14.280  -3.968
  437   1HA   GLY  48          1HA       GLY  48 -12.581 -16.574  -4.964
  438   2HA   GLY  48          2HA       GLY  48 -12.509 -17.202  -3.312
  439   1HN   NH2  49          1HN       NH2  49 -13.795 -15.044  -1.934
  440   2HN   NH2  49          2HN       NH2  49 -15.510 -15.030  -2.426
  441   1H    ACE   0          H1        ACE   0  11.471  14.360 -13.553
  442   2H    ACE   0          H2        ACE   0  12.681  15.480 -14.197
  443   3H    ACE   0          H3        ACE   0  11.242  16.121 -13.391
  444    H    ASP   1           H        ASP   1   9.118  15.396 -16.306
  445    HA   ASP   1           HA       ASP   1   9.210  14.753 -13.402
  446   1HB   ASP   1          1HB       ASP   1   8.879  17.144 -13.474
  447   2HB   ASP   1          2HB       ASP   1   7.608  17.008 -14.686
  448    H    TYR   2           H        TYR   2   6.218  15.539 -15.110
  449    HA   TYR   2           HA       TYR   2   4.685  13.543 -14.462
  450   1HB   TYR   2          1HB       TYR   2   4.829  14.833 -17.171
  451   2HB   TYR   2          2HB       TYR   2   3.498  13.881 -16.531
  452    HD1  TYR   2           HD1      TYR   2   2.466  14.572 -14.226
  453    HD2  TYR   2           HD2      TYR   2   4.890  17.141 -16.681
  454    HE1  TYR   2           HE1      TYR   2   1.717  16.532 -12.908
  455    HE2  TYR   2           HE2      TYR   2   4.158  19.116 -15.337
  456    HH   TYR   2           HH       TYR   2   1.892  18.811 -12.605
  457    H    LEU   3           H        LEU   3   6.760  13.270 -17.372
  458    HA   LEU   3           HA       LEU   3   5.822  10.671 -17.931
  459   1HB   LEU   3          1HB       LEU   3   8.576  11.840 -18.623
  460   2HB   LEU   3          2HB       LEU   3   7.818  10.471 -19.442
  461    HG   LEU   3           HG       LEU   3   6.774  13.346 -19.489
  462   1HD1  LEU   3          1HD1      LEU   3   8.913  13.067 -20.689
  463   2HD1  LEU   3          2HD1      LEU   3   8.228  11.707 -21.605
  464   3HD1  LEU   3          3HD1      LEU   3   7.574  13.344 -21.816
  465   1HD2  LEU   3          1HD2      LEU   3   5.879  10.838 -20.987
  466   2HD2  LEU   3          2HD2      LEU   3   4.933  11.732 -19.776
  467   3HD2  LEU   3          3HD2      LEU   3   5.317  12.488 -21.327
  468    H    ARG   4           H        ARG   4   8.721  11.563 -16.081
  469    HA   ARG   4           HA       ARG   4   9.531   8.823 -15.661
  470   1HB   ARG   4          1HB       ARG   4   9.976  11.308 -13.956
  471   2HB   ARG   4          2HB       ARG   4  10.814   9.759 -13.764
  472   1HG   ARG   4          1HG       ARG   4  11.709   9.953 -16.087
  473   2HG   ARG   4          2HG       ARG   4  10.854  11.490 -16.273
  474   1HD   ARG   4          1HD       ARG   4  12.254  12.041 -14.005
  475   2HD   ARG   4          2HD       ARG   4  13.389  10.935 -14.784
  476    HE   ARG   4           HE       ARG   4  12.754  13.644 -15.499
  477   1HH1  ARG   4          1HH2      ARG   4  13.649  10.591 -17.000
  478   2HH1  ARG   4          2HH2      ARG   4  13.900  11.275 -18.583
  479   1HH2  ARG   4          1HH1      ARG   4  12.860  14.521 -17.519
  480   2HH2  ARG   4          2HH1      ARG   4  13.526  13.631 -18.873
  481    H    GLU   5           H        GLU   5   6.935  10.807 -14.457
  482    HA   GLU   5           HA       GLU   5   6.917   9.494 -11.814
  483   1HB   GLU   5          1HB       GLU   5   6.395  12.033 -12.415
  484   2HB   GLU   5          2HB       GLU   5   4.793  11.415 -12.788
  485   1HG   GLU   5          1HG       GLU   5   4.656  12.121 -10.559
  486   2HG   GLU   5          2HG       GLU   5   4.851  10.371 -10.402
  487    H    LEU   6           H        LEU   6   5.074   9.561 -14.859
  488    HA   LEU   6           HA       LEU   6   3.437   7.231 -14.012
  489   1HB   LEU   6          1HB       LEU   6   3.389   9.099 -16.413
  490   2HB   LEU   6          2HB       LEU   6   2.387   7.653 -16.227
  491    HG   LEU   6           HG       LEU   6   1.380   8.696 -14.122
  492   1HD1  LEU   6          1HD1      LEU   6   3.147  10.468 -13.795
  493   2HD1  LEU   6          2HD1      LEU   6   2.419  11.316 -15.172
  494   3HD1  LEU   6          3HD1      LEU   6   1.482  10.898 -13.691
  495   1HD2  LEU   6          1HD2      LEU   6   1.121  10.070 -16.853
  496   2HD2  LEU   6          2HD2      LEU   6   0.384   8.520 -16.422
  497   3HD2  LEU   6          3HD2      LEU   6  -0.144   9.989 -15.621
  498    H    LEU   7           H        LEU   7   6.458   7.100 -14.536
  499    HA   LEU   7           HA       LEU   7   6.208   4.899 -16.423
  500   1HB   LEU   7          1HB       LEU   7   7.178   6.857 -17.670
  501   2HB   LEU   7          2HB       LEU   7   8.538   6.835 -16.532
  502    HG   LEU   7           HG       LEU   7   8.672   4.264 -17.315
  503   1HD1  LEU   7          1HD1      LEU   7   6.510   4.544 -18.655
  504   2HD1  LEU   7          2HD1      LEU   7   7.404   5.615 -19.734
  505   3HD1  LEU   7          3HD1      LEU   7   7.886   3.908 -19.570
  506   1HD2  LEU   7          1HD2      LEU   7   9.583   6.573 -19.081
  507   2HD2  LEU   7          2HD2      LEU   7  10.445   5.945 -17.658
  508   3HD2  LEU   7          3HD2      LEU   7  10.231   4.917 -19.082
  509    H    LYS   8           H        LYS   8   8.644   6.434 -14.224
  510    HA   LYS   8           HA       LYS   8   9.917   3.948 -13.896
  511   1HB   LYS   8          1HB       LYS   8  10.191   6.459 -12.221
  512   2HB   LYS   8          2HB       LYS   8  11.285   5.057 -12.223
  513   1HG   LYS   8          1HG       LYS   8  11.257   5.526 -14.877
  514   2HG   LYS   8          2HG       LYS   8  10.884   7.167 -14.362
  515   1HD   LYS   8          1HD       LYS   8  13.291   5.523 -13.402
  516   2HD   LYS   8          2HD       LYS   8  13.319   6.578 -14.810
  517   1HE   LYS   8          1HE       LYS   8  14.317   7.726 -12.932
  518   2HE   LYS   8          2HE       LYS   8  12.833   8.556 -13.416
  519   1HZ   LYS   8          1HZ       LYS   8  11.725   7.540 -11.583
  520   2HZ   LYS   8          2HZ       LYS   8  13.059   6.661 -11.179
  521   3HZ   LYS   8          3HZ       LYS   8  13.074   8.303 -11.035
  522    H    LEU   9           H        LEU   9   7.609   5.790 -11.900
  523    HA   LEU   9           HA       LEU   9   7.374   3.885  -9.782
  524   1HB   LEU   9          1HB       LEU   9   5.460   5.903 -10.950
  525   2HB   LEU   9          2HB       LEU   9   5.001   4.864  -9.611
  526    HG   LEU   9           HG       LEU   9   7.531   6.529  -9.416
  527   1HD1  LEU   9          1HD1      LEU   9   5.845   8.178  -9.899
  528   2HD1  LEU   9          2HD1      LEU   9   4.689   7.423  -8.780
  529   3HD1  LEU   9          3HD1      LEU   9   6.153   8.223  -8.164
  530   1HD2  LEU   9          1HD2      LEU   9   5.559   5.486  -7.326
  531   2HD2  LEU   9          2HD2      LEU   9   7.104   4.711  -7.718
  532   3HD2  LEU   9          3HD2      LEU   9   7.087   6.328  -7.003
  533    H    GLU  10           H        GLU  10   5.760   4.046 -13.032
  534    HA   GLU  10           HA       GLU  10   4.100   1.786 -12.566
  535   1HB   GLU  10          1HB       GLU  10   5.331   2.487 -15.228
  536   2HB   GLU  10          2HB       GLU  10   3.841   1.631 -14.808
  537   1HG   GLU  10          1HG       GLU  10   4.275   4.595 -14.424
  538   2HG   GLU  10          2HG       GLU  10   3.436   3.869 -15.794
  539    H    LEU  11           H        LEU  11   7.440   2.106 -13.755
  540    HA   LEU  11           HA       LEU  11   7.874  -0.556 -14.559
  541   1HB   LEU  11          1HB       LEU  11   9.388   1.588 -14.819
  542   2HB   LEU  11          2HB       LEU  11   9.997   1.158 -13.218
  543    HG   LEU  11           HG       LEU  11  10.478  -1.191 -14.246
  544   1HD1  LEU  11          1HD1      LEU  11   9.200  -0.846 -16.371
  545   2HD1  LEU  11          2HD1      LEU  11  10.269   0.508 -16.784
  546   3HD1  LEU  11          3HD1      LEU  11  10.915  -1.141 -16.688
  547   1HD2  LEU  11          1HD2      LEU  11  12.037   1.284 -15.107
  548   2HD2  LEU  11          2HD2      LEU  11  12.226   0.394 -13.581
  549   3HD2  LEU  11          3HD2      LEU  11  12.658  -0.382 -15.115
  550    H    GLN  12           H        GLN  12   8.253   0.976 -11.335
  551    HA   GLN  12           HA       GLN  12   9.171  -1.393 -10.023
  552   1HB   GLN  12          1HB       GLN  12   7.692   1.071  -9.014
  553   2HB   GLN  12          2HB       GLN  12   8.034  -0.297  -7.974
  554   1HG   GLN  12          1HG       GLN  12  10.003   0.572  -7.506
  555   2HG   GLN  12          2HG       GLN  12  10.535   0.118  -9.120
  556   1HE2  GLN  12          2HE2      GLN  12   8.533   2.745  -7.644
  557   2HE2  GLN  12          1HE2      GLN  12   9.407   4.047  -8.442
  558    H    LEU  13           H        LEU  13   5.909  -0.630 -11.150
  559    HA   LEU  13           HA       LEU  13   4.601  -2.568  -9.434
  560   1HB   LEU  13          1HB       LEU  13   3.630  -1.572 -12.151
  561   2HB   LEU  13          2HB       LEU  13   2.758  -2.444 -10.909
  562    HG   LEU  13           HG       LEU  13   3.716   0.418 -10.827
  563   1HD1  LEU  13          1HD1      LEU  13   1.643   0.007 -12.066
  564   2HD1  LEU  13          2HD1      LEU  13   1.000  -0.980 -10.741
  565   3HD1  LEU  13          3HD1      LEU  13   1.206   0.752 -10.518
  566   1HD2  LEU  13          1HD2      LEU  13   2.532  -1.208  -8.546
  567   2HD2  LEU  13          2HD2      LEU  13   4.104  -0.386  -8.578
  568   3HD2  LEU  13          3HD2      LEU  13   2.612   0.564  -8.602
  569    H    ILE  14           H        ILE  14   5.562  -2.482 -12.903
  570    HA   ILE  14           HA       ILE  14   5.037  -5.231 -13.510
  571    HB   ILE  14           HB       ILE  14   7.361  -3.451 -14.515
  572   1HG1  ILE  14          1HG1      ILE  14   5.491  -2.111 -14.912
  573   2HG1  ILE  14          2HG1      ILE  14   5.847  -2.910 -16.436
  574   1HG2  ILE  14          1HG2      ILE  14   7.229  -4.801 -16.575
  575   2HG2  ILE  14          2HG2      ILE  14   7.637  -5.796 -15.180
  576   3HG2  ILE  14          3HG2      ILE  14   5.991  -5.837 -15.835
  577   1HD1  ILE  14          1HD1      ILE  14   4.063  -4.641 -15.785
  578   2HD1  ILE  14          2HD1      ILE  14   3.591  -3.526 -14.485
  579   3HD1  ILE  14          3HD1      ILE  14   3.495  -3.016 -16.175
  580    H    LYS  15           H        LYS  15   7.964  -3.715 -12.467
  581    HA   LYS  15           HA       LYS  15   9.509  -6.048 -12.049
  582   1HB   LYS  15          1HB       LYS  15  10.195  -3.516 -11.726
  583   2HB   LYS  15          2HB       LYS  15   9.746  -3.806 -10.045
  584   1HG   LYS  15          1HG       LYS  15  12.018  -4.350 -10.024
  585   2HG   LYS  15          2HG       LYS  15  11.315  -5.947 -10.318
  586   1HD   LYS  15          1HD       LYS  15  11.595  -5.405 -12.856
  587   2HD   LYS  15          2HD       LYS  15  12.523  -3.992 -12.332
  588   1HE   LYS  15          1HE       LYS  15  14.050  -5.596 -11.049
  589   2HE   LYS  15          2HE       LYS  15  13.177  -6.933 -11.828
  590   1HZ   LYS  15          1HZ       LYS  15  13.829  -5.991 -13.949
  591   2HZ   LYS  15          2HZ       LYS  15  14.680  -4.806 -13.184
  592   3HZ   LYS  15          3HZ       LYS  15  15.139  -6.379 -13.029
  593    H    GLN  16           H        GLN  16   7.330  -4.488  -9.619
  594    HA   GLN  16           HA       GLN  16   7.866  -6.486  -7.559
  595   1HB   GLN  16          1HB       GLN  16   5.846  -4.262  -7.926
  596   2HB   GLN  16          2HB       GLN  16   5.459  -5.570  -6.830
  597   1HG   GLN  16          1HG       GLN  16   6.426  -3.797  -5.573
  598   2HG   GLN  16          2HG       GLN  16   7.459  -5.224  -5.503
  599   1HE2  GLN  16          2HE2      GLN  16   9.385  -5.183  -7.127
  600   2HE2  GLN  16          1HE2      GLN  16  10.146  -3.610  -7.322
  601    H    TYR  17           H        TYR  17   5.644  -6.247 -10.252
  602    HA   TYR  17           HA       TYR  17   3.849  -8.309  -9.399
  603   1HB   TYR  17          1HB       TYR  17   4.494  -6.867 -11.994
  604   2HB   TYR  17          2HB       TYR  17   3.516  -8.279 -12.021
  605    HD1  TYR  17           HD1      TYR  17   3.133  -4.990 -12.412
  606    HD2  TYR  17           HD2      TYR  17   1.539  -8.280 -10.165
  607    HE1  TYR  17           HE1      TYR  17   0.972  -3.848 -12.309
  608    HE2  TYR  17           HE2      TYR  17  -0.651  -7.117 -10.042
  609    HH   TYR  17           HH       TYR  17  -1.262  -4.062 -11.772
  610    H    ARG  18           H        ARG  18   6.922  -8.248 -11.069
  611    HA   ARG  18           HA       ARG  18   6.768 -11.033 -11.995
  612   1HB   ARG  18          1HB       ARG  18   9.140  -9.138 -11.796
  613   2HB   ARG  18          2HB       ARG  18   9.203 -10.804 -12.401
  614   1HG   ARG  18          1HG       ARG  18   7.629 -10.254 -14.216
  615   2HG   ARG  18          2HG       ARG  18   7.503  -8.603 -13.616
  616   1HD   ARG  18          1HD       ARG  18   8.994  -8.472 -15.404
  617   2HD   ARG  18          2HD       ARG  18  10.027  -8.363 -13.993
  618    HE   ARG  18           HE       ARG  18   9.762 -10.536 -15.988
  619   1HH1  ARG  18          1HH2      ARG  18  11.173  -9.667 -12.876
  620   2HH1  ARG  18          2HH2      ARG  18  12.470 -10.828 -12.973
  621   1HH2  ARG  18          1HH1      ARG  18  11.414 -12.053 -16.139
  622   2HH2  ARG  18          2HH1      ARG  18  12.596 -12.236 -14.874
  623    H    GLU  19           H        GLU  19   8.274  -9.207  -9.413
  624    HA   GLU  19           HA       GLU  19   9.520 -11.326  -8.022
  625   1HB   GLU  19          1HB       GLU  19   9.743  -8.834  -7.577
  626   2HB   GLU  19          2HB       GLU  19   8.194  -8.935  -6.722
  627   1HG   GLU  19          1HG       GLU  19   9.185 -10.696  -5.228
  628   2HG   GLU  19          2HG       GLU  19  10.747 -10.435  -6.026
  629    H    ALA  20           H        ALA  20   6.149 -10.040  -7.752
  630    HA   ALA  20           HA       ALA  20   5.596 -11.924  -5.568
  631   1HB   ALA  20          1HB       ALA  20   4.536  -9.856  -5.397
  632   2HB   ALA  20          2HB       ALA  20   4.017  -9.881  -7.079
  633   3HB   ALA  20          3HB       ALA  20   3.216 -10.930  -5.885
  634    H    LEU  21           H        LEU  21   5.485 -12.094  -9.037
  635    HA   LEU  21           HA       LEU  21   3.352 -13.479  -9.671
  636   1HB   LEU  21          1HB       LEU  21   5.380 -12.738 -11.085
  637   2HB   LEU  21          2HB       LEU  21   6.098 -14.308 -10.763
  638    HG   LEU  21           HG       LEU  21   4.978 -14.000 -12.958
  639   1HD1  LEU  21          1HD1      LEU  21   5.176 -16.313 -12.011
  640   2HD1  LEU  21          2HD1      LEU  21   3.504 -16.165 -11.411
  641   3HD1  LEU  21          3HD1      LEU  21   3.829 -16.080 -13.142
  642   1HD2  LEU  21          1HD2      LEU  21   2.325 -14.031 -11.450
  643   2HD2  LEU  21          2HD2      LEU  21   3.110 -12.549 -12.085
  644   3HD2  LEU  21          3HD2      LEU  21   2.639 -13.874 -13.154
  645    H    GLU  22           H        GLU  22   6.288 -15.109  -8.476
  646    HA   GLU  22           HA       GLU  22   4.979 -17.726  -8.700
  647   1HB   GLU  22          1HB       GLU  22   7.842 -17.027  -7.926
  648   2HB   GLU  22          2HB       GLU  22   7.155 -18.651  -8.074
  649   1HG   GLU  22          1HG       GLU  22   6.532 -18.101 -10.476
  650   2HG   GLU  22          2HG       GLU  22   7.487 -16.616 -10.318
  651    H    TYR  23           H        TYR  23   5.536 -15.298  -6.247
  652    HA   TYR  23           HA       TYR  23   5.278 -17.125  -3.999
  653   1HB   TYR  23          1HB       TYR  23   5.079 -14.128  -4.457
  654   2HB   TYR  23          2HB       TYR  23   4.420 -14.836  -3.015
  655    HD1  TYR  23           HD1      TYR  23   7.330 -13.340  -4.268
  656    HD2  TYR  23           HD2      TYR  23   6.006 -16.597  -1.769
  657    HE1  TYR  23           HE1      TYR  23   9.473 -13.270  -3.026
  658    HE2  TYR  23           HE2      TYR  23   8.170 -16.575  -0.587
  659    HH   TYR  23           HH       TYR  23  10.181 -15.508  -0.331
  660    H    VAL  24           H        VAL  24   3.159 -15.280  -6.191
  661    HA   VAL  24           HA       VAL  24   0.786 -16.209  -4.650
  662    HB   VAL  24           HB       VAL  24   1.058 -14.290  -6.940
  663   1HG1  VAL  24          1HG1      VAL  24  -1.252 -15.160  -6.875
  664   2HG1  VAL  24          2HG1      VAL  24  -1.292 -15.015  -5.107
  665   3HG1  VAL  24          3HG1      VAL  24  -1.284 -13.564  -6.117
  666   1HG2  VAL  24          1HG2      VAL  24   0.698 -13.797  -3.954
  667   2HG2  VAL  24          2HG2      VAL  24   2.162 -13.445  -4.889
  668   3HG2  VAL  24          3HG2      VAL  24   0.681 -12.545  -5.213
  669    H    LYS  25           H        LYS  25   2.424 -16.980  -7.690
  670    HA   LYS  25           HA       LYS  25   2.089 -18.634  -9.208
  671   1HB   LYS  25          1HB       LYS  25   0.902 -19.805  -6.696
  672   2HB   LYS  25          2HB       LYS  25   0.663 -20.674  -8.210
  673   1HG   LYS  25          1HG       LYS  25   2.953 -20.937  -8.622
  674   2HG   LYS  25          2HG       LYS  25   3.414 -19.830  -7.314
  675   1HD   LYS  25          1HD       LYS  25   2.663 -21.281  -5.608
  676   2HD   LYS  25          2HD       LYS  25   1.747 -22.308  -6.718
  677   1HE   LYS  25          1HE       LYS  25   4.792 -22.049  -6.756
  678   2HE   LYS  25          2HE       LYS  25   3.909 -23.317  -5.889
  679   1HZ   LYS  25          1HZ       LYS  25   2.953 -24.012  -7.960
  680   2HZ   LYS  25          2HZ       LYS  25   3.796 -22.862  -8.786
  681   3HZ   LYS  25          3HZ       LYS  25   4.598 -24.080  -8.020
  682    H    LEU  26           H        LEU  26   0.739 -16.855 -10.350
  683    HA   LEU  26           HA       LEU  26  -1.719 -18.216 -11.120
  684   1HB   LEU  26          1HB       LEU  26  -1.784 -16.244  -9.089
  685   2HB   LEU  26          2HB       LEU  26  -2.424 -15.418 -10.493
  686    HG   LEU  26           HG       LEU  26  -3.469 -18.203  -9.871
  687   1HD1  LEU  26          1HD1      LEU  26  -3.433 -17.239  -7.671
  688   2HD1  LEU  26          2HD1      LEU  26  -4.193 -15.743  -8.250
  689   3HD1  LEU  26          3HD1      LEU  26  -5.098 -17.271  -8.275
  690   1HD2  LEU  26          1HD2      LEU  26  -4.842 -15.628 -10.742
  691   2HD2  LEU  26          2HD2      LEU  26  -4.231 -16.866 -11.858
  692   3HD2  LEU  26          3HD2      LEU  26  -5.543 -17.257 -10.733
  693    HA   PRO  27           HA       PRO  27  -0.398 -16.351 -14.939
  694   1HB   PRO  27          1HB       PRO  27  -2.456 -17.091 -16.600
  695   2HB   PRO  27          2HB       PRO  27  -1.145 -18.185 -16.080
  696   1HG   PRO  27          1HG       PRO  27  -3.912 -17.912 -14.877
  697   2HG   PRO  27          2HG       PRO  27  -3.057 -19.415 -15.330
  698   1HD   PRO  27          1HD       PRO  27  -3.080 -18.558 -12.780
  699   2HD   PRO  27          2HD       PRO  27  -1.577 -19.231 -13.466
  700    H    VAL  28           H        VAL  28  -3.572 -15.680 -13.401
  701    HA   VAL  28           HA       VAL  28  -4.261 -13.453 -15.036
  702    HB   VAL  28           HB       VAL  28  -4.684 -13.697 -12.080
  703   1HG1  VAL  28          1HG1      VAL  28  -5.236 -11.463 -12.954
  704   2HG1  VAL  28          2HG1      VAL  28  -6.274 -12.178 -14.196
  705   3HG1  VAL  28          3HG1      VAL  28  -6.718 -12.305 -12.490
  706   1HG2  VAL  28          1HG2      VAL  28  -6.710 -14.609 -14.147
  707   2HG2  VAL  28          2HG2      VAL  28  -5.671 -15.732 -13.249
  708   3HG2  VAL  28          3HG2      VAL  28  -6.825 -14.714 -12.382
  709    H    LEU  29           H        LEU  29  -1.947 -13.784 -12.338
  710    HA   LEU  29           HA       LEU  29  -1.443 -10.938 -12.030
  711   1HB   LEU  29          1HB       LEU  29  -0.240 -13.568 -11.117
  712   2HB   LEU  29          2HB       LEU  29   0.844 -12.207 -11.255
  713    HG   LEU  29           HG       LEU  29  -1.682 -12.108  -9.599
  714   1HD1  LEU  29          1HD1      LEU  29  -0.274 -13.864  -8.770
  715   2HD1  LEU  29          2HD1      LEU  29   1.170 -12.824  -8.863
  716   3HD1  LEU  29          3HD1      LEU  29  -0.123 -12.434  -7.711
  717   1HD2  LEU  29          1HD2      LEU  29   0.882 -10.453  -9.574
  718   2HD2  LEU  29          2HD2      LEU  29  -0.648  -9.876 -10.272
  719   3HD2  LEU  29          3HD2      LEU  29  -0.549 -10.235  -8.538
  720    H    ALA  30           H        ALA  30   0.350 -13.698 -13.461
  721    HA   ALA  30           HA       ALA  30   2.265 -12.232 -14.552
  722   1HB   ALA  30          1HB       ALA  30   2.044 -14.817 -14.894
  723   2HB   ALA  30          2HB       ALA  30   0.891 -14.484 -16.178
  724   3HB   ALA  30          3HB       ALA  30   2.570 -13.962 -16.352
  725    H    LYS  31           H        LYS  31  -1.037 -12.752 -15.959
  726    HA   LYS  31           HA       LYS  31  -0.380 -11.357 -18.448
  727   1HB   LYS  31          1HB       LYS  31  -2.939 -12.543 -17.336
  728   2HB   LYS  31          2HB       LYS  31  -2.956 -11.421 -18.706
  729   1HG   LYS  31          1HG       LYS  31  -1.316 -12.822 -19.919
  730   2HG   LYS  31          2HG       LYS  31  -1.391 -14.028 -18.617
  731   1HD   LYS  31          1HD       LYS  31  -3.763 -14.424 -19.075
  732   2HD   LYS  31          2HD       LYS  31  -3.826 -13.047 -20.197
  733   1HE   LYS  31          1HE       LYS  31  -2.251 -14.161 -21.732
  734   2HE   LYS  31          2HE       LYS  31  -2.127 -15.548 -20.633
  735   1HZ   LYS  31          1HZ       LYS  31  -4.459 -15.940 -20.976
  736   2HZ   LYS  31          2HZ       LYS  31  -4.575 -14.638 -21.980
  737   3HZ   LYS  31          3HZ       LYS  31  -3.659 -15.933 -22.417
  738    H    ILE  32           H        ILE  32  -1.444 -10.365 -15.235
  739    HA   ILE  32           HA       ILE  32  -2.563  -7.870 -16.371
  740    HB   ILE  32           HB       ILE  32  -1.942  -8.761 -13.549
  741   1HG1  ILE  32          1HG1      ILE  32  -4.530  -7.677 -14.762
  742   2HG1  ILE  32          2HG1      ILE  32  -4.097  -9.381 -14.921
  743   1HG2  ILE  32          1HG2      ILE  32  -1.261  -6.452 -13.575
  744   2HG2  ILE  32          2HG2      ILE  32  -2.607  -5.989 -14.624
  745   3HG2  ILE  32          3HG2      ILE  32  -2.905  -6.438 -12.938
  746   1HD1  ILE  32          1HD1      ILE  32  -3.901  -9.565 -12.477
  747   2HD1  ILE  32          2HD1      ILE  32  -4.442  -7.883 -12.295
  748   3HD1  ILE  32          3HD1      ILE  32  -5.539  -9.079 -13.001
  749    H    LEU  33           H        LEU  33   0.469  -9.180 -14.946
  750    HA   LEU  33           HA       LEU  33   1.696  -6.656 -14.831
  751   1HB   LEU  33          1HB       LEU  33   3.484  -7.683 -14.075
  752   2HB   LEU  33          2HB       LEU  33   2.184  -8.848 -13.662
  753    HG   LEU  33           HG       LEU  33   2.976 -10.364 -15.188
  754   1HD1  LEU  33          1HD1      LEU  33   3.889  -9.394 -17.062
  755   2HD1  LEU  33          2HD1      LEU  33   4.805  -8.183 -16.099
  756   3HD1  LEU  33          3HD1      LEU  33   5.333  -9.892 -16.188
  757   1HD2  LEU  33          1HD2      LEU  33   5.158  -9.071 -13.517
  758   2HD2  LEU  33          2HD2      LEU  33   3.935 -10.229 -12.938
  759   3HD2  LEU  33          3HD2      LEU  33   5.190 -10.758 -14.067
  760    H    GLU  34           H        GLU  34   1.456  -9.047 -17.425
  761    HA   GLU  34           HA       GLU  34   3.250  -7.758 -19.147
  762   1HB   GLU  34          1HB       GLU  34   2.144 -10.098 -19.348
  763   2HB   GLU  34          2HB       GLU  34   0.747  -9.284 -20.030
  764   1HG   GLU  34          1HG       GLU  34   2.198  -8.313 -21.829
  765   2HG   GLU  34          2HG       GLU  34   3.565  -9.238 -21.185
  766    H    ASP  35           H        ASP  35  -0.316  -7.556 -18.963
  767    HA   ASP  35           HA       ASP  35  -0.677  -5.792 -21.151
  768   1HB   ASP  35          1HB       ASP  35  -2.521  -6.995 -19.989
  769   2HB   ASP  35          2HB       ASP  35  -2.348  -5.860 -18.626
  770    H    GLU  36           H        GLU  36  -0.143  -5.023 -17.676
  771    HA   GLU  36           HA       GLU  36  -0.307  -2.200 -17.861
  772   1HB   GLU  36          1HB       GLU  36   1.427  -3.982 -16.109
  773   2HB   GLU  36          2HB       GLU  36   1.206  -2.241 -15.882
  774   1HG   GLU  36          1HG       GLU  36  -1.424  -3.439 -16.090
  775   2HG   GLU  36          2HG       GLU  36  -0.458  -4.466 -15.034
  776    H    GLU  37           H        GLU  37   2.432  -4.434 -18.586
  777    HA   GLU  37           HA       GLU  37   4.448  -2.583 -18.889
  778   1HB   GLU  37          1HB       GLU  37   4.096  -5.317 -19.067
  779   2HB   GLU  37          2HB       GLU  37   4.251  -4.993 -20.773
  780   1HG   GLU  37          1HG       GLU  37   6.201  -3.958 -18.660
  781   2HG   GLU  37          2HG       GLU  37   6.247  -5.603 -19.287
  782    H    LYS  38           H        LYS  38   1.989  -3.497 -21.325
  783    HA   LYS  38           HA       LYS  38   3.186  -1.875 -23.410
  784   1HB   LYS  38          1HB       LYS  38   1.702  -3.821 -23.779
  785   2HB   LYS  38          2HB       LYS  38   0.347  -2.934 -23.064
  786   1HG   LYS  38          1HG       LYS  38   0.395  -1.275 -24.857
  787   2HG   LYS  38          2HG       LYS  38   1.922  -1.925 -25.487
  788   1HD   LYS  38          1HD       LYS  38   0.818  -4.038 -26.082
  789   2HD   LYS  38          2HD       LYS  38  -0.717  -3.463 -25.394
  790   1HE   LYS  38          1HE       LYS  38  -0.827  -1.647 -27.055
  791   2HE   LYS  38          2HE       LYS  38   0.770  -2.088 -27.692
  792   1HZ   LYS  38          1HZ       LYS  38  -0.127  -4.179 -28.370
  793   2HZ   LYS  38          2HZ       LYS  38  -1.612  -3.802 -27.763
  794   3HZ   LYS  38          3HZ       LYS  38  -0.997  -2.947 -29.033
  795    H    HIS  39           H        HIS  39   0.627  -1.212 -20.997
  796    HA   HIS  39           HA       HIS  39  -0.111   1.345 -22.083
  797   1HB   HIS  39          1HB       HIS  39  -0.165   0.188 -19.278
  798   2HB   HIS  39          2HB       HIS  39  -0.788   1.782 -19.656
  799    HD1  HIS  39           HD1      HIS  39  -2.605   1.529 -22.012
  800    HD2  HIS  39           HD2      HIS  39  -2.028  -1.650 -19.311
  801    HE1  HIS  39           HE1      HIS  39  -4.641  -0.027 -22.257
  802    HE2  HIS  39           HE2      HIS  39  -4.272  -1.951 -20.591
  803    H    ILE  40           H        ILE  40   2.448   0.310 -19.889
  804    HA   ILE  40           HA       ILE  40   3.356   2.958 -19.139
  805    HB   ILE  40           HB       ILE  40   4.706   0.237 -18.957
  806   1HG1  ILE  40          1HG1      ILE  40   3.313   1.873 -16.809
  807   2HG1  ILE  40          2HG1      ILE  40   2.409   0.719 -17.717
  808   1HG2  ILE  40          1HG2      ILE  40   6.337   2.151 -18.750
  809   2HG2  ILE  40          2HG2      ILE  40   5.282   2.908 -17.541
  810   3HG2  ILE  40          3HG2      ILE  40   6.099   1.383 -17.186
  811   1HD1  ILE  40          1HD1      ILE  40   3.984  -1.097 -17.164
  812   2HD1  ILE  40          2HD1      ILE  40   4.835  -0.026 -16.045
  813   3HD1  ILE  40          3HD1      ILE  40   3.132  -0.439 -15.755
  814    H    GLU  41           H        GLU  41   4.460   0.431 -21.407
  815    HA   GLU  41           HA       GLU  41   6.530   1.667 -22.676
  816   1HB   GLU  41          1HB       GLU  41   5.690  -0.639 -23.073
  817   2HB   GLU  41          2HB       GLU  41   4.377   0.014 -24.062
  818   1HG   GLU  41          1HG       GLU  41   7.120   0.893 -24.832
  819   2HG   GLU  41          2HG       GLU  41   6.765  -0.830 -25.018
  820    H    TRP  42           H        TRP  42   3.013   2.394 -23.388
  821    HA   TRP  42           HA       TRP  42   3.495   3.994 -25.616
  822   1HB   TRP  42          1HB       TRP  42   1.331   3.241 -24.398
  823   2HB   TRP  42          2HB       TRP  42   1.485   4.720 -23.486
  824    HD1  TRP  42           HD1      TRP  42   0.977   3.519 -27.067
  825    HE1  TRP  42           HE1      TRP  42  -0.206   5.436 -28.487
  826    HE3  TRP  42           HE3      TRP  42   1.118   7.115 -23.596
  827    HZ2  TRP  42           HZ2      TRP  42  -0.864   8.230 -28.053
  828    HZ3  TRP  42           HZ3      TRP  42   0.215   9.417 -24.040
  829    HH2  TRP  42           HH2      TRP  42  -0.668   9.991 -26.308
  830    H    LEU  43           H        LEU  43   3.895   4.797 -22.188
  831    HA   LEU  43           HA       LEU  43   4.457   7.620 -22.588
  832   1HB   LEU  43          1HB       LEU  43   5.050   5.767 -20.242
  833   2HB   LEU  43          2HB       LEU  43   5.451   7.464 -20.280
  834    HG   LEU  43           HG       LEU  43   2.736   7.462 -21.011
  835   1HD1  LEU  43          1HD1      LEU  43   2.541   5.101 -20.334
  836   2HD1  LEU  43          2HD1      LEU  43   3.241   5.462 -18.750
  837   3HD1  LEU  43          3HD1      LEU  43   1.663   6.136 -19.192
  838   1HD2  LEU  43          1HD2      LEU  43   4.135   7.900 -18.341
  839   2HD2  LEU  43          2HD2      LEU  43   3.812   9.118 -19.580
  840   3HD2  LEU  43          3HD2      LEU  43   2.462   8.391 -18.685
  841    H    GLU  44           H        GLU  44   6.348   4.893 -23.395
  842    HA   GLU  44           HA       GLU  44   8.872   6.495 -23.377
  843   1HB   GLU  44          1HB       GLU  44   8.297   3.516 -23.616
  844   2HB   GLU  44          2HB       GLU  44   9.851   4.202 -24.074
  845   1HG   GLU  44          1HG       GLU  44   8.860   4.993 -21.377
  846   2HG   GLU  44          2HG       GLU  44   9.303   3.287 -21.575
  847    H    THR  45           H        THR  45   6.254   5.949 -25.276
  848    HA   THR  45           HA       THR  45   7.800   5.880 -27.828
  849    HB   THR  45           HB       THR  45   5.666   4.338 -26.937
  850    HG1  THR  45           HG1      THR  45   7.048   3.750 -28.518
  851   1HG2  THR  45          1HG2      THR  45   3.995   6.133 -27.319
  852   2HG2  THR  45          2HG2      THR  45   4.537   6.243 -29.011
  853   3HG2  THR  45          3HG2      THR  45   3.802   4.748 -28.393
  854    H    ILE  46           H        ILE  46   5.266   7.595 -26.054
  855    HA   ILE  46           HA       ILE  46   4.500   9.556 -27.670
  856    HB   ILE  46           HB       ILE  46   3.763   9.126 -25.394
  857   1HG1  ILE  46          1HG1      ILE  46   4.142  11.985 -25.004
  858   2HG1  ILE  46          2HG1      ILE  46   3.966  11.648 -26.735
  859   1HG2  ILE  46          1HG2      ILE  46   6.013   9.023 -24.298
  860   2HG2  ILE  46          2HG2      ILE  46   6.037  10.794 -24.282
  861   3HG2  ILE  46          3HG2      ILE  46   4.761   9.926 -23.425
  862   1HD1  ILE  46          1HD1      ILE  46   1.971  10.328 -26.327
  863   2HD1  ILE  46          2HD1      ILE  46   2.098  10.675 -24.576
  864   3HD1  ILE  46          3HD1      ILE  46   1.777  11.995 -25.733
  865    H    LEU  47           H        LEU  47   5.489  10.941 -28.989
  866    HA   LEU  47           HA       LEU  47   8.113  12.149 -28.327
  867   1HB   LEU  47          1HB       LEU  47   7.919  13.188 -30.533
  868   2HB   LEU  47          2HB       LEU  47   7.937  11.432 -30.579
  869    HG   LEU  47           HG       LEU  47   5.210  12.696 -30.532
  870   1HD1  LEU  47          1HD1      LEU  47   6.404  14.222 -32.037
  871   2HD1  LEU  47          2HD1      LEU  47   7.036  12.843 -32.965
  872   3HD1  LEU  47          3HD1      LEU  47   5.292  13.187 -32.950
  873   1HD2  LEU  47          1HD2      LEU  47   6.448  10.505 -32.269
  874   2HD2  LEU  47          2HD2      LEU  47   5.566  10.194 -30.769
  875   3HD2  LEU  47          3HD2      LEU  47   4.725  10.916 -32.148
  876    H    GLY  48           H        GLY  48   6.556  12.845 -26.351
  877   1HA   GLY  48          1HA       GLY  48   5.622  14.646 -25.220
  878   2HA   GLY  48          2HA       GLY  48   6.276  15.696 -26.494
  879   1HN   NH2  49          1HN       NH2  49   4.377  17.029 -26.617
  880   2HN   NH2  49          2HN       NH2  49   2.834  16.407 -27.263
  Start of MODEL   14
    1   1H    ACE   0          H1        ACE   0  -1.813  20.178  -2.869
    2   2H    ACE   0          H2        ACE   0  -1.704  18.517  -2.240
    3   3H    ACE   0          H3        ACE   0  -2.950  18.939  -3.433
    4    H    ASP   1           H        ASP   1   0.490  19.837  -3.381
    5    HA   ASP   1           HA       ASP   1   1.069  19.663  -6.049
    6   1HB   ASP   1          1HB       ASP   1   2.658  20.532  -4.397
    7   2HB   ASP   1          2HB       ASP   1   2.885  18.914  -3.709
    8    H    TYR   2           H        TYR   2   1.601  16.985  -3.720
    9    HA   TYR   2           HA       TYR   2   2.574  15.128  -5.490
   10   1HB   TYR   2          1HB       TYR   2   1.072  14.994  -2.858
   11   2HB   TYR   2          2HB       TYR   2   1.483  13.542  -3.725
   12    HD1  TYR   2           HD1      TYR   2   2.653  15.616  -1.203
   13    HD2  TYR   2           HD2      TYR   2   4.004  13.395  -4.633
   14    HE1  TYR   2           HE1      TYR   2   4.851  15.267  -0.127
   15    HE2  TYR   2           HE2      TYR   2   6.108  12.875  -3.464
   16    HH   TYR   2           HH       TYR   2   6.942  14.356  -0.303
   17    H    LEU   3           H        LEU   3  -0.812  16.150  -5.090
   18    HA   LEU   3           HA       LEU   3  -1.933  13.638  -5.889
   19   1HB   LEU   3          1HB       LEU   3  -3.227  16.388  -5.973
   20   2HB   LEU   3          2HB       LEU   3  -4.050  14.829  -5.956
   21    HG   LEU   3           HG       LEU   3  -2.408  16.004  -3.659
   22   1HD1  LEU   3          1HD1      LEU   3  -4.580  17.121  -4.068
   23   2HD1  LEU   3          2HD1      LEU   3  -5.403  15.551  -3.957
   24   3HD1  LEU   3          3HD1      LEU   3  -4.569  16.224  -2.539
   25   1HD2  LEU   3          1HD2      LEU   3  -3.991  13.401  -3.829
   26   2HD2  LEU   3          2HD2      LEU   3  -2.234  13.554  -3.603
   27   3HD2  LEU   3          3HD2      LEU   3  -3.337  14.108  -2.337
   28    H    ARG   4           H        ARG   4  -0.329  16.045  -7.747
   29    HA   ARG   4           HA       ARG   4  -1.772  15.434 -10.230
   30   1HB   ARG   4          1HB       ARG   4   1.003  16.612  -9.804
   31   2HB   ARG   4          2HB       ARG   4   0.092  16.523 -11.320
   32   1HG   ARG   4          1HG       ARG   4  -1.777  17.768  -9.774
   33   2HG   ARG   4          2HG       ARG   4  -0.319  18.318  -8.937
   34   1HD   ARG   4          1HD       ARG   4  -0.995  18.578 -11.892
   35   2HD   ARG   4          2HD       ARG   4  -0.981  19.905 -10.712
   36    HE   ARG   4           HE       ARG   4   1.552  19.005 -10.482
   37   1HH1  ARG   4          1HH2      ARG   4  -0.356  19.830 -13.337
   38   2HH1  ARG   4          2HH2      ARG   4   1.016  20.262 -14.317
   39   1HH2  ARG   4          1HH1      ARG   4   3.351  19.599 -11.718
   40   2HH2  ARG   4          2HH1      ARG   4   3.184  20.148 -13.361
   41    H    GLU   5           H        GLU   5   0.612  13.865  -8.263
   42    HA   GLU   5           HA       GLU   5   1.588  12.076 -10.441
   43   1HB   GLU   5          1HB       GLU   5   2.235  12.104  -7.461
   44   2HB   GLU   5          2HB       GLU   5   3.111  11.236  -8.721
   45   1HG   GLU   5          1HG       GLU   5   3.968  13.310  -9.662
   46   2HG   GLU   5          2HG       GLU   5   2.980  14.284  -8.561
   47    H    LEU   6           H        LEU   6   1.712   9.745  -9.191
   48    HA   LEU   6           HA       LEU   6   0.560   7.903  -8.717
   49   1HB   LEU   6          1HB       LEU   6  -0.789   9.757  -6.781
   50   2HB   LEU   6          2HB       LEU   6  -1.120   8.020  -6.860
   51    HG   LEU   6           HG       LEU   6   1.605   9.184  -6.286
   52   1HD1  LEU   6          1HD1      LEU   6  -0.133   9.506  -4.515
   53   2HD1  LEU   6          2HD1      LEU   6  -0.542   7.783  -4.603
   54   3HD1  LEU   6          3HD1      LEU   6   1.034   8.289  -3.997
   55   1HD2  LEU   6          1HD2      LEU   6   0.613   6.329  -6.527
   56   2HD2  LEU   6          2HD2      LEU   6   1.988   7.075  -7.367
   57   3HD2  LEU   6          3HD2      LEU   6   2.091   6.779  -5.651
   58    H    LEU   7           H        LEU   7  -0.495   9.600 -10.975
   59    HA   LEU   7           HA       LEU   7  -2.727   7.880 -11.430
   60   1HB   LEU   7          1HB       LEU   7  -4.395   9.577 -12.064
   61   2HB   LEU   7          2HB       LEU   7  -3.998   9.553 -10.361
   62    HG   LEU   7           HG       LEU   7  -2.281  11.538 -11.203
   63   1HD1  LEU   7          1HD1      LEU   7  -3.354  11.488 -13.543
   64   2HD1  LEU   7          2HD1      LEU   7  -4.884  11.908 -12.764
   65   3HD1  LEU   7          3HD1      LEU   7  -3.512  13.029 -12.686
   66   1HD2  LEU   7          1HD2      LEU   7  -5.170  11.777 -10.299
   67   2HD2  LEU   7          2HD2      LEU   7  -3.732  11.657  -9.262
   68   3HD2  LEU   7          3HD2      LEU   7  -3.979  13.087 -10.281
   69    H    LYS   8           H        LYS   8  -1.268  10.844 -12.811
   70    HA   LYS   8           HA       LYS   8  -1.578  10.003 -15.419
   71   1HB   LYS   8          1HB       LYS   8  -0.460  12.242 -14.064
   72   2HB   LYS   8          2HB       LYS   8   0.866  11.650 -15.059
   73   1HG   LYS   8          1HG       LYS   8  -1.955  12.209 -16.096
   74   2HG   LYS   8          2HG       LYS   8  -0.654  13.406 -16.079
   75   1HD   LYS   8          1HD       LYS   8   0.749  12.025 -17.523
   76   2HD   LYS   8          2HD       LYS   8  -0.442  10.710 -17.516
   77   1HE   LYS   8          1HE       LYS   8  -2.085  12.094 -18.662
   78   2HE   LYS   8          2HE       LYS   8  -1.044  13.526 -18.540
   79   1HZ   LYS   8          1HZ       LYS   8   0.534  12.451 -19.944
   80   2HZ   LYS   8          2HZ       LYS   8  -0.392  11.090 -20.042
   81   3HZ   LYS   8          3HZ       LYS   8  -0.934  12.505 -20.690
   82    H    LEU   9           H        LEU   9   1.078   9.469 -13.186
   83    HA   LEU   9           HA       LEU   9   2.766   7.984 -15.017
   84   1HB   LEU   9          1HB       LEU   9   2.562   7.947 -11.971
   85   2HB   LEU   9          2HB       LEU   9   3.839   7.158 -12.899
   86    HG   LEU   9           HG       LEU   9   3.303  10.170 -12.949
   87   1HD1  LEU   9          1HD1      LEU   9   4.036   9.425 -10.714
   88   2HD1  LEU   9          2HD1      LEU   9   5.422   8.583 -11.438
   89   3HD1  LEU   9          3HD1      LEU   9   5.305  10.352 -11.529
   90   1HD2  LEU   9          1HD2      LEU   9   5.617   8.482 -14.018
   91   2HD2  LEU   9          2HD2      LEU   9   4.459   9.413 -14.993
   92   3HD2  LEU   9          3HD2      LEU   9   5.598  10.253 -13.941
   93    H    GLU  10           H        GLU  10   0.038   7.144 -12.872
   94    HA   GLU  10           HA       GLU  10   0.442   4.302 -13.036
   95   1HB   GLU  10          1HB       GLU  10  -2.108   5.819 -12.485
   96   2HB   GLU  10          2HB       GLU  10  -1.703   4.142 -12.115
   97   1HG   GLU  10          1HG       GLU  10  -0.437   6.611 -10.827
   98   2HG   GLU  10          2HG       GLU  10  -1.635   5.591 -10.062
   99    H    LEU  11           H        LEU  11  -1.333   6.611 -15.082
  100    HA   LEU  11           HA       LEU  11  -2.793   4.632 -16.534
  101   1HB   LEU  11          1HB       LEU  11  -3.091   7.104 -16.788
  102   2HB   LEU  11          2HB       LEU  11  -1.488   7.219 -17.525
  103    HG   LEU  11           HG       LEU  11  -2.271   5.811 -19.440
  104   1HD1  LEU  11          1HD1      LEU  11  -4.102   4.549 -18.377
  105   2HD1  LEU  11          2HD1      LEU  11  -4.988   6.059 -18.063
  106   3HD1  LEU  11          3HD1      LEU  11  -4.731   5.496 -19.727
  107   1HD2  LEU  11          1HD2      LEU  11  -3.939   8.290 -18.870
  108   2HD2  LEU  11          2HD2      LEU  11  -2.296   8.266 -19.550
  109   3HD2  LEU  11          3HD2      LEU  11  -3.643   7.566 -20.466
  110    H    GLN  12           H        GLN  12   0.634   5.581 -16.833
  111    HA   GLN  12           HA       GLN  12   1.104   4.191 -19.275
  112   1HB   GLN  12          1HB       GLN  12   3.291   4.800 -18.977
  113   2HB   GLN  12          2HB       GLN  12   2.619   5.852 -17.732
  114   1HG   GLN  12          1HG       GLN  12   3.111   3.884 -16.086
  115   2HG   GLN  12          2HG       GLN  12   4.025   3.167 -17.409
  116   1HE2  GLN  12          2HE2      GLN  12   3.855   5.724 -15.057
  117   2HE2  GLN  12          1HE2      GLN  12   5.521   6.291 -15.251
  118    H    LEU  13           H        LEU  13   0.646   3.026 -16.040
  119    HA   LEU  13           HA       LEU  13   2.145   0.571 -16.275
  120   1HB   LEU  13          1HB       LEU  13  -0.131   1.195 -14.352
  121   2HB   LEU  13          2HB       LEU  13   1.120  -0.032 -14.193
  122    HG   LEU  13           HG       LEU  13   1.648   2.977 -14.195
  123   1HD1  LEU  13          1HD1      LEU  13   0.242   2.212 -12.301
  124   2HD1  LEU  13          2HD1      LEU  13   1.378   0.914 -11.981
  125   3HD1  LEU  13          3HD1      LEU  13   1.872   2.629 -11.755
  126   1HD2  LEU  13          1HD2      LEU  13   3.443   0.590 -13.682
  127   2HD2  LEU  13          2HD2      LEU  13   3.605   1.790 -14.967
  128   3HD2  LEU  13          3HD2      LEU  13   3.849   2.280 -13.296
  129    H    ILE  14           H        ILE  14  -1.341   1.493 -16.238
  130    HA   ILE  14           HA       ILE  14  -2.329  -1.108 -16.822
  131    HB   ILE  14           HB       ILE  14  -3.371   1.731 -17.058
  132   1HG1  ILE  14          1HG1      ILE  14  -4.952   0.960 -15.428
  133   2HG1  ILE  14          2HG1      ILE  14  -4.555  -0.740 -15.691
  134   1HG2  ILE  14          1HG2      ILE  14  -4.405   0.659 -19.037
  135   2HG2  ILE  14          2HG2      ILE  14  -4.867  -0.753 -18.055
  136   3HG2  ILE  14          3HG2      ILE  14  -5.596   0.829 -17.740
  137   1HD1  ILE  14          1HD1      ILE  14  -2.410  -0.461 -14.563
  138   2HD1  ILE  14          2HD1      ILE  14  -2.700   1.297 -14.430
  139   3HD1  ILE  14          3HD1      ILE  14  -3.734   0.136 -13.563
  140    H    LYS  15           H        LYS  15  -1.230   1.449 -19.097
  141    HA   LYS  15           HA       LYS  15  -1.593  -0.064 -21.441
  142   1HB   LYS  15          1HB       LYS  15  -0.699   2.501 -20.797
  143   2HB   LYS  15          2HB       LYS  15   0.793   1.721 -21.296
  144   1HG   LYS  15          1HG       LYS  15  -0.142   2.759 -23.215
  145   2HG   LYS  15          2HG       LYS  15  -0.404   1.019 -23.429
  146   1HD   LYS  15          1HD       LYS  15  -2.775   1.318 -22.609
  147   2HD   LYS  15          2HD       LYS  15  -2.463   3.043 -22.375
  148   1HE   LYS  15          1HE       LYS  15  -2.109   3.351 -24.778
  149   2HE   LYS  15          2HE       LYS  15  -2.203   1.601 -25.058
  150   1HZ   LYS  15          1HZ       LYS  15  -4.463   1.650 -24.323
  151   2HZ   LYS  15          2HZ       LYS  15  -4.394   3.273 -24.044
  152   3HZ   LYS  15          3HZ       LYS  15  -4.250   2.693 -25.580
  153    H    GLN  16           H        GLN  16   1.286   0.143 -19.256
  154    HA   GLN  16           HA       GLN  16   2.893  -1.617 -20.900
  155   1HB   GLN  16          1HB       GLN  16   3.083  -0.776 -17.986
  156   2HB   GLN  16          2HB       GLN  16   4.177  -1.959 -18.709
  157   1HG   GLN  16          1HG       GLN  16   4.912  -0.356 -20.402
  158   2HG   GLN  16          2HG       GLN  16   3.811   0.870 -19.755
  159   1HE2  GLN  16          2HE2      GLN  16   5.569   2.334 -19.230
  160   2HE2  GLN  16          1HE2      GLN  16   6.656   1.969 -17.906
  161    H    TYR  17           H        TYR  17   0.481  -2.157 -18.442
  162    HA   TYR  17           HA       TYR  17   1.072  -4.907 -17.898
  163   1HB   TYR  17          1HB       TYR  17  -1.169  -2.964 -17.301
  164   2HB   TYR  17          2HB       TYR  17  -1.526  -4.655 -17.217
  165    HD1  TYR  17           HD1      TYR  17  -0.261  -6.224 -15.755
  166    HD2  TYR  17           HD2      TYR  17  -0.401  -1.959 -15.240
  167    HE1  TYR  17           HE1      TYR  17   0.204  -6.470 -13.321
  168    HE2  TYR  17           HE2      TYR  17   0.321  -2.200 -12.899
  169    HH   TYR  17           HH       TYR  17   1.188  -3.698 -11.332
  170    H    ARG  18           H        ARG  18  -0.800  -3.169 -20.325
  171    HA   ARG  18           HA       ARG  18  -2.079  -5.631 -21.306
  172   1HB   ARG  18          1HB       ARG  18  -1.955  -2.852 -22.518
  173   2HB   ARG  18          2HB       ARG  18  -2.731  -4.261 -23.258
  174   1HG   ARG  18          1HG       ARG  18  -4.115  -4.507 -21.106
  175   2HG   ARG  18          2HG       ARG  18  -3.476  -2.939 -20.627
  176   1HD   ARG  18          1HD       ARG  18  -5.589  -2.517 -21.675
  177   2HD   ARG  18          2HD       ARG  18  -4.345  -2.027 -22.848
  178    HE   ARG  18           HE       ARG  18  -5.195  -4.809 -23.106
  179   1HH1  ARG  18          1HH2      ARG  18  -6.025  -1.510 -24.020
  180   2HH1  ARG  18          2HH2      ARG  18  -6.972  -1.971 -25.409
  181   1HH2  ARG  18          1HH1      ARG  18  -6.458  -5.449 -24.862
  182   2HH2  ARG  18          2HH1      ARG  18  -7.240  -4.281 -25.890
  183    H    GLU  19           H        GLU  19   0.574  -3.507 -22.157
  184    HA   GLU  19           HA       GLU  19   1.514  -4.850 -24.467
  185   1HB   GLU  19          1HB       GLU  19   2.299  -2.620 -23.490
  186   2HB   GLU  19          2HB       GLU  19   3.318  -3.576 -22.396
  187   1HG   GLU  19          1HG       GLU  19   4.415  -4.636 -24.355
  188   2HG   GLU  19          2HG       GLU  19   3.404  -3.665 -25.440
  189    H    ALA  20           H        ALA  20   2.162  -5.453 -20.980
  190    HA   ALA  20           HA       ALA  20   3.974  -7.654 -21.598
  191   1HB   ALA  20          1HB       ALA  20   4.362  -6.295 -19.646
  192   2HB   ALA  20          2HB       ALA  20   2.752  -6.703 -19.021
  193   3HB   ALA  20          3HB       ALA  20   4.007  -7.964 -19.149
  194    H    LEU  21           H        LEU  21   0.521  -7.361 -20.747
  195    HA   LEU  21           HA       LEU  21  -0.215  -9.805 -19.911
  196   1HB   LEU  21          1HB       LEU  21  -1.717  -7.870 -20.409
  197   2HB   LEU  21          2HB       LEU  21  -1.660  -8.270 -22.122
  198    HG   LEU  21           HG       LEU  21  -3.712  -8.837 -20.963
  199   1HD1  LEU  21          1HD1      LEU  21  -3.043 -10.137 -22.990
  200   2HD1  LEU  21          2HD1      LEU  21  -2.528 -11.452 -21.897
  201   3HD1  LEU  21          3HD1      LEU  21  -4.207 -10.915 -21.900
  202   1HD2  LEU  21          1HD2      LEU  21  -2.132 -10.959 -19.452
  203   2HD2  LEU  21          2HD2      LEU  21  -2.805  -9.447 -18.795
  204   3HD2  LEU  21          3HD2      LEU  21  -3.882 -10.720 -19.404
  205    H    GLU  22           H        GLU  22   0.494  -8.996 -23.293
  206    HA   GLU  22           HA       GLU  22  -0.349 -11.568 -24.279
  207   1HB   GLU  22          1HB       GLU  22   0.823 -10.794 -26.423
  208   2HB   GLU  22          2HB       GLU  22  -0.586  -9.875 -25.874
  209   1HG   GLU  22          1HG       GLU  22   0.768  -8.100 -25.007
  210   2HG   GLU  22          2HG       GLU  22   2.260  -9.041 -25.231
  211    H    TYR  23           H        TYR  23   2.773 -10.166 -23.372
  212    HA   TYR  23           HA       TYR  23   4.422 -12.388 -24.232
  213   1HB   TYR  23          1HB       TYR  23   4.734  -9.912 -22.599
  214   2HB   TYR  23          2HB       TYR  23   5.657 -11.270 -21.996
  215    HD1  TYR  23           HD1      TYR  23   5.160  -9.051 -24.939
  216    HD2  TYR  23           HD2      TYR  23   7.560 -12.159 -23.154
  217    HE1  TYR  23           HE1      TYR  23   6.904  -8.689 -26.653
  218    HE2  TYR  23           HE2      TYR  23   9.313 -11.785 -24.871
  219    HH   TYR  23           HH       TYR  23   8.961  -9.342 -27.448
  220    H    VAL  24           H        VAL  24   2.639 -11.521 -21.303
  221    HA   VAL  24           HA       VAL  24   3.640 -13.785 -19.767
  222    HB   VAL  24           HB       VAL  24   1.465 -11.721 -19.277
  223   1HG1  VAL  24          1HG1      VAL  24   0.893 -13.660 -17.935
  224   2HG1  VAL  24          2HG1      VAL  24   2.578 -13.872 -17.418
  225   3HG1  VAL  24          3HG1      VAL  24   1.642 -12.471 -16.868
  226   1HG2  VAL  24          1HG2      VAL  24   4.255 -12.099 -18.104
  227   2HG2  VAL  24          2HG2      VAL  24   3.864 -10.908 -19.357
  228   3HG2  VAL  24          3HG2      VAL  24   3.161 -10.758 -17.747
  229    H    LYS  25           H        LYS  25   0.910 -13.211 -21.921
  230    HA   LYS  25           HA       LYS  25  -0.510 -14.535 -22.869
  231   1HB   LYS  25          1HB       LYS  25   2.026 -15.657 -22.879
  232   2HB   LYS  25          2HB       LYS  25   1.044 -17.005 -22.291
  233   1HG   LYS  25          1HG       LYS  25  -0.480 -16.609 -24.210
  234   2HG   LYS  25          2HG       LYS  25   0.567 -15.312 -24.809
  235   1HD   LYS  25          1HD       LYS  25   1.871 -17.942 -24.176
  236   2HD   LYS  25          2HD       LYS  25   0.850 -17.895 -25.624
  237   1HE   LYS  25          1HE       LYS  25   3.098 -15.892 -25.088
  238   2HE   LYS  25          2HE       LYS  25   3.339 -17.401 -25.983
  239   1HZ   LYS  25          1HZ       LYS  25   1.688 -16.688 -27.548
  240   2HZ   LYS  25          2HZ       LYS  25   1.468 -15.270 -26.735
  241   3HZ   LYS  25          3HZ       LYS  25   2.915 -15.592 -27.453
  242    H    LEU  26           H        LEU  26  -0.980 -14.119 -20.016
  243    HA   LEU  26           HA       LEU  26  -2.675 -16.501 -19.405
  244   1HB   LEU  26          1HB       LEU  26  -0.579 -16.536 -18.089
  245   2HB   LEU  26          2HB       LEU  26  -0.913 -14.891 -17.549
  246    HG   LEU  26           HG       LEU  26  -3.079 -15.793 -16.507
  247   1HD1  LEU  26          1HD1      LEU  26  -3.155 -18.003 -17.655
  248   2HD1  LEU  26          2HD1      LEU  26  -1.628 -18.447 -16.861
  249   3HD1  LEU  26          3HD1      LEU  26  -3.087 -18.165 -15.892
  250   1HD2  LEU  26          1HD2      LEU  26  -0.391 -16.755 -15.462
  251   2HD2  LEU  26          2HD2      LEU  26  -1.074 -15.133 -15.232
  252   3HD2  LEU  26          3HD2      LEU  26  -1.870 -16.538 -14.501
  253    HA   PRO  27           HA       PRO  27  -5.360 -12.842 -19.349
  254   1HB   PRO  27          1HB       PRO  27  -7.815 -14.026 -19.121
  255   2HB   PRO  27          2HB       PRO  27  -6.831 -14.088 -20.605
  256   1HG   PRO  27          1HG       PRO  27  -7.001 -16.188 -18.428
  257   2HG   PRO  27          2HG       PRO  27  -7.191 -16.424 -20.190
  258   1HD   PRO  27          1HD       PRO  27  -4.834 -16.877 -18.923
  259   2HD   PRO  27          2HD       PRO  27  -4.856 -16.156 -20.560
  260    H    VAL  28           H        VAL  28  -4.102 -14.081 -16.759
  261    HA   VAL  28           HA       VAL  28  -6.092 -13.353 -14.704
  262    HB   VAL  28           HB       VAL  28  -3.269 -14.341 -14.596
  263   1HG1  VAL  28          1HG1      VAL  28  -3.482 -12.854 -12.727
  264   2HG1  VAL  28          2HG1      VAL  28  -5.097 -13.483 -12.326
  265   3HG1  VAL  28          3HG1      VAL  28  -3.653 -14.494 -12.105
  266   1HG2  VAL  28          1HG2      VAL  28  -5.884 -15.587 -13.643
  267   2HG2  VAL  28          2HG2      VAL  28  -5.023 -16.060 -15.122
  268   3HG2  VAL  28          3HG2      VAL  28  -4.276 -16.329 -13.538
  269    H    LEU  29           H        LEU  29  -3.121 -12.184 -16.365
  270    HA   LEU  29           HA       LEU  29  -2.636 -10.063 -14.516
  271   1HB   LEU  29          1HB       LEU  29  -1.570 -10.955 -17.157
  272   2HB   LEU  29          2HB       LEU  29  -1.644  -9.213 -16.958
  273    HG   LEU  29           HG       LEU  29  -0.024 -11.149 -15.311
  274   1HD1  LEU  29          1HD1      LEU  29   0.777 -10.290 -17.547
  275   2HD1  LEU  29          2HD1      LEU  29   0.651  -8.639 -16.926
  276   3HD1  LEU  29          3HD1      LEU  29   1.798  -9.774 -16.189
  277   1HD2  LEU  29          1HD2      LEU  29  -0.779  -8.264 -14.715
  278   2HD2  LEU  29          2HD2      LEU  29  -0.715  -9.641 -13.591
  279   3HD2  LEU  29          3HD2      LEU  29   0.776  -8.939 -14.192
  280    H    ALA  30           H        ALA  30  -4.580 -10.389 -17.475
  281    HA   ALA  30           HA       ALA  30  -5.196  -7.598 -17.548
  282   1HB   ALA  30          1HB       ALA  30  -5.507  -8.984 -19.572
  283   2HB   ALA  30          2HB       ALA  30  -6.729  -9.970 -18.731
  284   3HB   ALA  30          3HB       ALA  30  -7.048  -8.261 -19.100
  285    H    LYS  31           H        LYS  31  -6.367 -10.200 -15.566
  286    HA   LYS  31           HA       LYS  31  -8.839  -8.742 -14.912
  287   1HB   LYS  31          1HB       LYS  31  -8.225 -11.387 -14.811
  288   2HB   LYS  31          2HB       LYS  31  -7.868 -10.939 -13.132
  289   1HG   LYS  31          1HG       LYS  31 -10.148  -9.879 -12.995
  290   2HG   LYS  31          2HG       LYS  31 -10.442 -10.363 -14.680
  291   1HD   LYS  31          1HD       LYS  31 -10.079 -12.762 -14.019
  292   2HD   LYS  31          2HD       LYS  31  -9.952 -12.236 -12.323
  293   1HE   LYS  31          1HE       LYS  31 -12.248 -11.239 -12.486
  294   2HE   LYS  31          2HE       LYS  31 -12.360 -11.794 -14.168
  295   1HZ   LYS  31          1HZ       LYS  31 -12.138 -14.037 -13.376
  296   2HZ   LYS  31          2HZ       LYS  31 -12.058 -13.517 -11.812
  297   3HZ   LYS  31          3HZ       LYS  31 -13.437 -13.293 -12.686
  298    H    ILE  32           H        ILE  32  -5.723  -9.494 -13.487
  299    HA   ILE  32           HA       ILE  32  -5.963  -8.024 -11.047
  300    HB   ILE  32           HB       ILE  32  -3.503  -8.580 -12.773
  301   1HG1  ILE  32          1HG1      ILE  32  -4.343  -9.786 -10.101
  302   2HG1  ILE  32          2HG1      ILE  32  -4.789 -10.513 -11.650
  303   1HG2  ILE  32          1HG2      ILE  32  -2.973  -6.615 -11.461
  304   2HG2  ILE  32          2HG2      ILE  32  -3.829  -7.267 -10.063
  305   3HG2  ILE  32          3HG2      ILE  32  -2.281  -7.959 -10.561
  306   1HD1  ILE  32          1HD1      ILE  32  -2.399 -10.733 -12.259
  307   2HD1  ILE  32          2HD1      ILE  32  -1.932 -10.091 -10.674
  308   3HD1  ILE  32          3HD1      ILE  32  -2.826 -11.610 -10.781
  309    H    LEU  33           H        LEU  33  -4.726  -7.012 -14.249
  310    HA   LEU  33           HA       LEU  33  -4.066  -4.442 -13.400
  311   1HB   LEU  33          1HB       LEU  33  -3.418  -3.975 -15.558
  312   2HB   LEU  33          2HB       LEU  33  -3.251  -5.720 -15.404
  313    HG   LEU  33           HG       LEU  33  -5.558  -5.866 -16.460
  314   1HD1  LEU  33          1HD1      LEU  33  -6.646  -3.895 -16.637
  315   2HD1  LEU  33          2HD1      LEU  33  -5.144  -2.946 -16.568
  316   3HD1  LEU  33          3HD1      LEU  33  -5.680  -3.698 -18.093
  317   1HD2  LEU  33          1HD2      LEU  33  -3.381  -4.602 -18.152
  318   2HD2  LEU  33          2HD2      LEU  33  -3.264  -6.274 -17.533
  319   3HD2  LEU  33          3HD2      LEU  33  -4.552  -5.819 -18.670
  320    H    GLU  34           H        GLU  34  -7.113  -5.806 -14.489
  321    HA   GLU  34           HA       GLU  34  -8.540  -3.383 -14.968
  322   1HB   GLU  34          1HB       GLU  34  -9.129  -5.860 -15.506
  323   2HB   GLU  34          2HB       GLU  34  -9.725  -5.982 -13.878
  324   1HG   GLU  34          1HG       GLU  34 -10.648  -3.905 -15.938
  325   2HG   GLU  34          2HG       GLU  34 -11.472  -5.434 -15.615
  326    H    ASP  35           H        ASP  35  -8.137  -5.461 -12.136
  327    HA   ASP  35           HA       ASP  35  -9.565  -3.890 -10.263
  328   1HB   ASP  35          1HB       ASP  35  -8.507  -6.266 -10.023
  329   2HB   ASP  35          2HB       ASP  35  -7.060  -5.406  -9.470
  330    H    GLU  36           H        GLU  36  -6.057  -3.812 -11.076
  331    HA   GLU  36           HA       GLU  36  -5.344  -1.603  -9.489
  332   1HB   GLU  36          1HB       GLU  36  -4.269  -2.419 -12.227
  333   2HB   GLU  36          2HB       GLU  36  -3.518  -1.236 -11.159
  334   1HG   GLU  36          1HG       GLU  36  -4.018  -4.103 -10.252
  335   2HG   GLU  36          2HG       GLU  36  -2.532  -3.567 -11.042
  336    H    GLU  37           H        GLU  37  -6.608  -1.509 -12.952
  337    HA   GLU  37           HA       GLU  37  -6.528   1.146 -13.288
  338   1HB   GLU  37          1HB       GLU  37  -7.382  -0.969 -14.703
  339   2HB   GLU  37          2HB       GLU  37  -8.982  -0.493 -14.151
  340   1HG   GLU  37          1HG       GLU  37  -7.088   1.517 -15.341
  341   2HG   GLU  37          2HG       GLU  37  -7.825   0.296 -16.377
  342    H    LYS  38           H        LYS  38  -9.021  -0.656 -11.464
  343    HA   LYS  38           HA       LYS  38 -10.593   1.673 -10.838
  344   1HB   LYS  38          1HB       LYS  38 -11.188  -0.866 -10.710
  345   2HB   LYS  38          2HB       LYS  38 -10.319  -0.857  -9.176
  346   1HG   LYS  38          1HG       LYS  38 -12.544  -0.487  -8.499
  347   2HG   LYS  38          2HG       LYS  38 -11.874   1.149  -8.530
  348   1HD   LYS  38          1HD       LYS  38 -12.780   1.195 -11.026
  349   2HD   LYS  38          2HD       LYS  38 -13.722  -0.215 -10.524
  350   1HE   LYS  38          1HE       LYS  38 -14.621   1.220  -8.595
  351   2HE   LYS  38          2HE       LYS  38 -13.756   2.595  -9.315
  352   1HZ   LYS  38          1HZ       LYS  38 -15.031   2.264 -11.309
  353   2HZ   LYS  38          2HZ       LYS  38 -15.873   1.030 -10.608
  354   3HZ   LYS  38          3HZ       LYS  38 -16.006   2.565 -10.016
  355    H    HIS  39           H        HIS  39  -8.005   0.026  -8.945
  356    HA   HIS  39           HA       HIS  39  -8.221   1.802  -6.705
  357   1HB   HIS  39          1HB       HIS  39  -6.068  -0.020  -7.762
  358   2HB   HIS  39          2HB       HIS  39  -5.632   1.190  -6.557
  359    HD1  HIS  39           HD1      HIS  39  -6.792   1.011  -4.140
  360    HD2  HIS  39           HD2      HIS  39  -7.667  -2.046  -6.895
  361    HE1  HIS  39           HE1      HIS  39  -7.957  -0.840  -2.802
  362    HE2  HIS  39           HE2      HIS  39  -8.457  -2.728  -4.500
  363    H    ILE  40           H        ILE  40  -6.474   2.102  -9.747
  364    HA   ILE  40           HA       ILE  40  -5.107   4.572  -9.036
  365    HB   ILE  40           HB       ILE  40  -5.495   2.940 -11.553
  366   1HG1  ILE  40          1HG1      ILE  40  -2.866   3.806 -10.329
  367   2HG1  ILE  40          2HG1      ILE  40  -3.763   2.562  -9.500
  368   1HG2  ILE  40          1HG2      ILE  40  -5.470   5.268 -12.349
  369   2HG2  ILE  40          2HG2      ILE  40  -4.043   5.607 -11.347
  370   3HG2  ILE  40          3HG2      ILE  40  -3.947   4.474 -12.723
  371   1HD1  ILE  40          1HD1      ILE  40  -3.773   1.119 -11.420
  372   2HD1  ILE  40          2HD1      ILE  40  -2.985   2.351 -12.419
  373   3HD1  ILE  40          3HD1      ILE  40  -2.112   1.614 -11.054
  374    H    GLU  41           H        GLU  41  -8.121   3.622 -10.741
  375    HA   GLU  41           HA       GLU  41  -8.886   6.085 -11.654
  376   1HB   GLU  41          1HB       GLU  41 -10.167   3.851 -11.924
  377   2HB   GLU  41          2HB       GLU  41 -10.859   4.192 -10.326
  378   1HG   GLU  41          1HG       GLU  41 -11.367   6.560 -11.565
  379   2HG   GLU  41          2HG       GLU  41 -11.329   5.495 -12.971
  380    H    TRP  42           H        TRP  42  -9.191   4.799  -8.280
  381    HA   TRP  42           HA       TRP  42 -10.730   6.794  -7.161
  382   1HB   TRP  42          1HB       TRP  42  -9.605   4.719  -6.146
  383   2HB   TRP  42          2HB       TRP  42  -8.182   5.719  -5.909
  384    HD1  TRP  42           HD1      TRP  42 -11.848   5.571  -4.932
  385    HE1  TRP  42           HE1      TRP  42 -12.179   6.746  -2.610
  386    HE3  TRP  42           HE3      TRP  42  -7.196   7.350  -4.356
  387    HZ2  TRP  42           HZ2      TRP  42 -10.508   8.212  -0.728
  388    HZ3  TRP  42           HZ3      TRP  42  -6.517   8.630  -2.285
  389    HH2  TRP  42           HH2      TRP  42  -8.163   8.954  -0.445
  390    H    LEU  43           H        LEU  43  -7.261   6.920  -7.952
  391    HA   LEU  43           HA       LEU  43  -6.848   9.553  -6.809
  392   1HB   LEU  43          1HB       LEU  43  -5.238   7.983  -8.854
  393   2HB   LEU  43          2HB       LEU  43  -4.727   9.486  -8.115
  394    HG   LEU  43           HG       LEU  43  -5.538   7.558  -6.044
  395   1HD1  LEU  43          1HD1      LEU  43  -4.611   5.659  -6.752
  396   2HD1  LEU  43          2HD1      LEU  43  -3.940   6.394  -8.202
  397   3HD1  LEU  43          3HD1      LEU  43  -3.035   6.463  -6.697
  398   1HD2  LEU  43          1HD2      LEU  43  -3.039   9.153  -6.654
  399   2HD2  LEU  43          2HD2      LEU  43  -4.350   9.593  -5.560
  400   3HD2  LEU  43          3HD2      LEU  43  -3.294   8.220  -5.166
  401    H    GLU  44           H        GLU  44  -7.798   8.385 -10.102
  402    HA   GLU  44           HA       GLU  44  -7.380  11.084 -11.159
  403   1HB   GLU  44          1HB       GLU  44  -7.696  10.302 -13.219
  404   2HB   GLU  44          2HB       GLU  44  -7.021   8.897 -12.377
  405   1HG   GLU  44          1HG       GLU  44  -9.458   8.153 -12.075
  406   2HG   GLU  44          2HG       GLU  44  -9.894   9.454 -13.177
  407    H    THR  45           H        THR  45  -9.643  10.095  -9.056
  408    HA   THR  45           HA       THR  45 -11.946  11.490 -10.385
  409    HB   THR  45           HB       THR  45 -11.635   8.856  -9.974
  410    HG1  THR  45           HG1      THR  45 -13.740   8.693 -10.495
  411   1HG2  THR  45          1HG2      THR  45 -11.732   8.979  -7.521
  412   2HG2  THR  45          2HG2      THR  45 -13.386   9.606  -7.643
  413   3HG2  THR  45          3HG2      THR  45 -12.986   7.976  -8.244
  414    H    ILE  46           H        ILE  46 -10.161  10.863  -7.445
  415    HA   ILE  46           HA       ILE  46 -11.739  11.941  -5.510
  416    HB   ILE  46           HB       ILE  46  -9.489  10.857  -5.361
  417   1HG1  ILE  46          1HG1      ILE  46  -9.213  13.267  -3.606
  418   2HG1  ILE  46          2HG1      ILE  46 -10.759  12.406  -3.507
  419   1HG2  ILE  46          1HG2      ILE  46  -8.368  12.392  -6.998
  420   2HG2  ILE  46          2HG2      ILE  46  -8.288  13.619  -5.732
  421   3HG2  ILE  46          3HG2      ILE  46  -7.456  12.060  -5.520
  422   1HD1  ILE  46          1HD1      ILE  46  -9.654  10.286  -3.167
  423   2HD1  ILE  46          2HD1      ILE  46  -8.052  11.051  -3.301
  424   3HD1  ILE  46          3HD1      ILE  46  -9.126  11.454  -1.931
  425    H    LEU  47           H        LEU  47 -10.109  13.760  -8.007
  426    HA   LEU  47           HA       LEU  47 -10.072  15.899  -8.651
  427   1HB   LEU  47          1HB       LEU  47 -12.629  15.901  -7.079
  428   2HB   LEU  47          2HB       LEU  47 -11.845  17.459  -7.306
  429    HG   LEU  47           HG       LEU  47 -11.763  17.088  -9.756
  430   1HD1  LEU  47          1HD1      LEU  47 -11.895  14.590  -9.785
  431   2HD1  LEU  47          2HD1      LEU  47 -13.555  14.694  -9.154
  432   3HD1  LEU  47          3HD1      LEU  47 -13.169  15.335 -10.760
  433   1HD2  LEU  47          1HD2      LEU  47 -14.516  16.914  -8.458
  434   2HD2  LEU  47          2HD2      LEU  47 -13.564  18.396  -8.690
  435   3HD2  LEU  47          3HD2      LEU  47 -14.174  17.507 -10.098
  436    H    GLY  48           H        GLY  48 -10.787  16.215  -5.144
  437   1HA   GLY  48          1HA       GLY  48  -9.597  17.275  -3.474
  438   2HA   GLY  48          2HA       GLY  48  -8.155  17.272  -4.502
  439   1HN   NH2  49          1HN       NH2  49  -8.415  18.850  -6.537
  440   2HN   NH2  49          2HN       NH2  49  -9.058  20.465  -6.138
  441   1H    ACE   0          H1        ACE   0  13.695 -11.341 -18.899
  442   2H    ACE   0          H2        ACE   0  12.043 -11.659 -19.478
  443   3H    ACE   0          H3        ACE   0  12.396 -11.691 -17.737
  444    H    ASP   1           H        ASP   1  12.704  -9.476 -20.574
  445    HA   ASP   1           HA       ASP   1  12.887  -7.084 -19.108
  446   1HB   ASP   1          1HB       ASP   1  12.503  -7.882 -21.930
  447   2HB   ASP   1          2HB       ASP   1  11.544  -6.471 -21.518
  448    H    TYR   2           H        TYR   2   9.983  -8.539 -20.650
  449    HA   TYR   2           HA       TYR   2   8.007  -6.889 -19.816
  450   1HB   TYR   2          1HB       TYR   2   6.565  -8.670 -20.116
  451   2HB   TYR   2          2HB       TYR   2   7.857  -8.883 -21.269
  452    HD1  TYR   2           HD1      TYR   2   6.141 -10.280 -18.346
  453    HD2  TYR   2           HD2      TYR   2   9.507 -10.752 -21.000
  454    HE1  TYR   2           HE1      TYR   2   6.477 -12.598 -17.522
  455    HE2  TYR   2           HE2      TYR   2   9.859 -13.047 -20.138
  456    HH   TYR   2           HH       TYR   2   9.097 -14.699 -18.709
  457    H    LEU   3           H        LEU   3   9.509  -9.520 -17.915
  458    HA   LEU   3           HA       LEU   3   7.948  -8.997 -15.603
  459   1HB   LEU   3          1HB       LEU   3  10.265 -10.742 -16.320
  460   2HB   LEU   3          2HB       LEU   3  10.348 -10.188 -14.651
  461    HG   LEU   3           HG       LEU   3   7.864 -11.463 -15.815
  462   1HD1  LEU   3          1HD1      LEU   3   9.753 -13.048 -16.011
  463   2HD1  LEU   3          2HD1      LEU   3  10.158 -12.791 -14.300
  464   3HD1  LEU   3          3HD1      LEU   3   8.626 -13.572 -14.748
  465   1HD2  LEU   3          1HD2      LEU   3   8.843 -11.092 -12.940
  466   2HD2  LEU   3          2HD2      LEU   3   7.534 -10.170 -13.702
  467   3HD2  LEU   3          3HD2      LEU   3   7.343 -11.906 -13.421
  468    H    ARG   4           H        ARG   4  11.274  -7.905 -16.340
  469    HA   ARG   4           HA       ARG   4  11.548  -6.436 -13.914
  470   1HB   ARG   4          1HB       ARG   4  12.658  -5.965 -16.705
  471   2HB   ARG   4          2HB       ARG   4  13.044  -4.926 -15.323
  472   1HG   ARG   4          1HG       ARG   4  13.887  -6.831 -14.039
  473   2HG   ARG   4          2HG       ARG   4  13.492  -7.943 -15.361
  474   1HD   ARG   4          1HD       ARG   4  15.379  -5.557 -15.657
  475   2HD   ARG   4          2HD       ARG   4  15.951  -7.157 -15.206
  476    HE   ARG   4           HE       ARG   4  15.115  -6.233 -17.837
  477   1HH1  ARG   4          1HH2      ARG   4  15.353  -9.087 -15.796
  478   2HH1  ARG   4          2HH2      ARG   4  15.683 -10.196 -17.098
  479   1HH2  ARG   4          1HH1      ARG   4  15.457  -7.660 -19.591
  480   2HH2  ARG   4          2HH1      ARG   4  15.773  -9.348 -19.311
  481    H    GLU   5           H        GLU   5   9.468  -5.854 -16.662
  482    HA   GLU   5           HA       GLU   5   9.133  -2.973 -16.050
  483   1HB   GLU   5          1HB       GLU   5   7.630  -4.801 -17.962
  484   2HB   GLU   5          2HB       GLU   5   7.306  -3.086 -17.733
  485   1HG   GLU   5          1HG       GLU   5   9.423  -2.432 -18.603
  486   2HG   GLU   5          2HG       GLU   5  10.089  -4.062 -18.497
  487    H    LEU   6           H        LEU   6   7.301  -6.020 -15.765
  488    HA   LEU   6           HA       LEU   6   5.313  -4.690 -14.078
  489   1HB   LEU   6          1HB       LEU   6   5.311  -7.399 -15.294
  490   2HB   LEU   6          2HB       LEU   6   4.154  -6.831 -14.068
  491    HG   LEU   6           HG       LEU   6   4.566  -5.582 -16.762
  492   1HD1  LEU   6          1HD1      LEU   6   3.343  -7.769 -16.704
  493   2HD1  LEU   6          2HD1      LEU   6   2.316  -7.171 -15.383
  494   3HD1  LEU   6          3HD1      LEU   6   2.160  -6.481 -16.985
  495   1HD2  LEU   6          1HD2      LEU   6   2.805  -4.696 -14.466
  496   2HD2  LEU   6          2HD2      LEU   6   3.962  -3.727 -15.409
  497   3HD2  LEU   6          3HD2      LEU   6   2.481  -4.266 -16.159
  498    H    LEU   7           H        LEU   7   8.032  -4.918 -13.125
  499    HA   LEU   7           HA       LEU   7   7.357  -6.066 -10.588
  500   1HB   LEU   7          1HB       LEU   7   8.300  -8.018 -11.833
  501   2HB   LEU   7          2HB       LEU   7   9.836  -7.175 -12.020
  502    HG   LEU   7           HG       LEU   7   8.788  -7.440  -9.237
  503   1HD1  LEU   7          1HD1      LEU   7   8.258  -9.665 -10.216
  504   2HD1  LEU   7          2HD1      LEU   7   9.931  -9.808 -10.790
  505   3HD1  LEU   7          3HD1      LEU   7   9.584  -9.775  -9.047
  506   1HD2  LEU   7          1HD2      LEU   7  11.544  -7.835 -10.479
  507   2HD2  LEU   7          2HD2      LEU   7  10.990  -6.415  -9.562
  508   3HD2  LEU   7          3HD2      LEU   7  11.165  -7.968  -8.750
  509    H    LYS   8           H        LYS   8  10.440  -5.044 -12.161
  510    HA   LYS   8           HA       LYS   8  11.253  -3.985  -9.701
  511   1HB   LYS   8          1HB       LYS   8  12.605  -4.749 -11.928
  512   2HB   LYS   8          2HB       LYS   8  12.538  -3.013 -12.254
  513   1HG   LYS   8          1HG       LYS   8  13.420  -2.813  -9.757
  514   2HG   LYS   8          2HG       LYS   8  13.834  -4.523  -9.969
  515   1HD   LYS   8          1HD       LYS   8  15.049  -3.743 -12.163
  516   2HD   LYS   8          2HD       LYS   8  14.790  -2.100 -11.562
  517   1HE   LYS   8          1HE       LYS   8  16.990  -2.687 -10.863
  518   2HE   LYS   8          2HE       LYS   8  15.993  -2.818  -9.406
  519   1HZ   LYS   8          1HZ       LYS   8  15.891  -5.197  -9.809
  520   2HZ   LYS   8          2HZ       LYS   8  16.831  -5.036 -11.152
  521   3HZ   LYS   8          3HZ       LYS   8  17.451  -4.688  -9.667
  522    H    LEU   9           H        LEU   9   9.996  -2.563 -12.663
  523    HA   LEU   9           HA       LEU   9   9.999   0.173 -11.701
  524   1HB   LEU   9          1HB       LEU   9   8.724  -1.269 -14.026
  525   2HB   LEU   9          2HB       LEU   9   8.232   0.379 -13.633
  526    HG   LEU   9           HG       LEU   9  11.175  -0.313 -13.928
  527   1HD1  LEU   9          1HD1      LEU   9  10.267  -1.106 -15.997
  528   2HD1  LEU   9          2HD1      LEU   9   9.210   0.316 -16.167
  529   3HD1  LEU   9          3HD1      LEU   9  10.975   0.476 -16.318
  530   1HD2  LEU   9          1HD2      LEU   9   9.573   2.242 -14.438
  531   2HD2  LEU   9          2HD2      LEU   9  10.533   1.928 -12.980
  532   3HD2  LEU   9          3HD2      LEU   9  11.336   2.073 -14.549
  533    H    GLU  10           H        GLU  10   7.495  -2.517 -11.766
  534    HA   GLU  10           HA       GLU  10   5.503  -1.008 -10.607
  535   1HB   GLU  10          1HB       GLU  10   6.176  -3.907  -9.997
  536   2HB   GLU  10          2HB       GLU  10   4.691  -3.044  -9.615
  537   1HG   GLU  10          1HG       GLU  10   5.675  -3.508 -12.392
  538   2HG   GLU  10          2HG       GLU  10   4.427  -4.490 -11.583
  539    H    LEU  11           H        LEU  11   8.251  -2.568  -8.865
  540    HA   LEU  11           HA       LEU  11   7.152  -2.131  -6.255
  541   1HB   LEU  11          1HB       LEU  11   9.059  -3.608  -6.848
  542   2HB   LEU  11          2HB       LEU  11  10.105  -2.207  -7.082
  543    HG   LEU  11           HG       LEU  11   8.652  -2.614  -4.440
  544   1HD1  LEU  11          1HD1      LEU  11   9.703  -4.779  -4.938
  545   2HD1  LEU  11          2HD1      LEU  11  11.252  -3.971  -5.264
  546   3HD1  LEU  11          3HD1      LEU  11  10.560  -3.956  -3.627
  547   1HD2  LEU  11          1HD2      LEU  11  11.379  -1.419  -5.154
  548   2HD2  LEU  11          2HD2      LEU  11   9.942  -0.490  -4.691
  549   3HD2  LEU  11          3HD2      LEU  11  10.710  -1.553  -3.516
  550    H    GLN  12           H        GLN  12   9.114   0.004  -8.344
  551    HA   GLN  12           HA       GLN  12   9.578   2.059  -6.521
  552   1HB   GLN  12          1HB       GLN  12  10.561   1.737  -8.797
  553   2HB   GLN  12          2HB       GLN  12   9.051   2.304  -9.515
  554   1HG   GLN  12          1HG       GLN  12  10.143   4.158  -7.470
  555   2HG   GLN  12          2HG       GLN  12  11.241   3.821  -8.807
  556   1HE2  GLN  12          2HE2      GLN  12   7.744   4.695  -8.283
  557   2HE2  GLN  12          1HE2      GLN  12   7.660   5.671  -9.741
  558    H    LEU  13           H        LEU  13   6.541   1.125  -8.024
  559    HA   LEU  13           HA       LEU  13   5.266   3.733  -7.903
  560   1HB   LEU  13          1HB       LEU  13   3.955   0.987  -8.027
  561   2HB   LEU  13          2HB       LEU  13   3.254   2.543  -8.466
  562    HG   LEU  13           HG       LEU  13   5.609   1.222  -9.906
  563   1HD1  LEU  13          1HD1      LEU  13   3.624  -0.194  -9.924
  564   2HD1  LEU  13          2HD1      LEU  13   2.614   1.182 -10.274
  565   3HD1  LEU  13          3HD1      LEU  13   3.776   0.583 -11.506
  566   1HD2  LEU  13          1HD2      LEU  13   3.800   3.515 -10.764
  567   2HD2  LEU  13          2HD2      LEU  13   5.461   3.702 -10.168
  568   3HD2  LEU  13          3HD2      LEU  13   5.177   2.818 -11.657
  569    H    ILE  14           H        ILE  14   4.803   0.629  -6.184
  570    HA   ILE  14           HA       ILE  14   3.173   1.520  -4.025
  571    HB   ILE  14           HB       ILE  14   5.182  -0.732  -4.519
  572   1HG1  ILE  14          1HG1      ILE  14   3.269  -2.140  -4.165
  573   2HG1  ILE  14          2HG1      ILE  14   2.257  -0.793  -3.623
  574   1HG2  ILE  14          1HG2      ILE  14   5.611  -0.209  -2.160
  575   2HG2  ILE  14          2HG2      ILE  14   3.863  -0.164  -1.825
  576   3HG2  ILE  14          3HG2      ILE  14   4.662  -1.680  -2.282
  577   1HD1  ILE  14          1HD1      ILE  14   2.237   0.125  -5.906
  578   2HD1  ILE  14          2HD1      ILE  14   3.366  -1.153  -6.440
  579   3HD1  ILE  14          3HD1      ILE  14   1.725  -1.565  -5.904
  580    H    LYS  15           H        LYS  15   6.679   1.542  -4.499
  581    HA   LYS  15           HA       LYS  15   7.260   2.715  -1.921
  582   1HB   LYS  15          1HB       LYS  15   8.968   1.650  -3.112
  583   2HB   LYS  15          2HB       LYS  15   8.764   2.659  -4.535
  584   1HG   LYS  15          1HG       LYS  15   9.522   3.983  -1.923
  585   2HG   LYS  15          2HG       LYS  15  10.742   3.045  -2.808
  586   1HD   LYS  15          1HD       LYS  15  10.309   4.313  -4.867
  587   2HD   LYS  15          2HD       LYS  15   9.103   5.298  -4.044
  588   1HE   LYS  15          1HE       LYS  15  10.840   6.083  -2.413
  589   2HE   LYS  15          2HE       LYS  15  12.067   5.176  -3.321
  590   1HZ   LYS  15          1HZ       LYS  15  11.530   6.536  -5.229
  591   2HZ   LYS  15          2HZ       LYS  15  10.416   7.379  -4.353
  592   3HZ   LYS  15          3HZ       LYS  15  12.009   7.462  -3.954
  593    H    GLN  16           H        GLN  16   6.582   4.294  -5.101
  594    HA   GLN  16           HA       GLN  16   6.977   6.962  -4.091
  595   1HB   GLN  16          1HB       GLN  16   6.322   5.792  -6.629
  596   2HB   GLN  16          2HB       GLN  16   4.961   6.810  -6.250
  597   1HG   GLN  16          1HG       GLN  16   7.508   8.232  -5.743
  598   2HG   GLN  16          2HG       GLN  16   7.441   7.551  -7.361
  599   1HE2  GLN  16          2HE2      GLN  16   5.270   9.369  -5.067
  600   2HE2  GLN  16          1HE2      GLN  16   4.769  10.502  -6.320
  601    H    TYR  17           H        TYR  17   4.254   4.783  -4.154
  602    HA   TYR  17           HA       TYR  17   2.167   6.595  -3.458
  603   1HB   TYR  17          1HB       TYR  17   2.650   3.627  -3.354
  604   2HB   TYR  17          2HB       TYR  17   1.432   4.273  -2.314
  605    HD1  TYR  17           HD1      TYR  17   2.093   3.121  -5.628
  606    HD2  TYR  17           HD2      TYR  17  -0.548   5.512  -3.212
  607    HE1  TYR  17           HE1      TYR  17   0.335   2.846  -7.306
  608    HE2  TYR  17           HE2      TYR  17  -2.368   5.133  -4.853
  609    HH   TYR  17           HH       TYR  17  -1.921   2.987  -7.668
  610    H    ARG  18           H        ARG  18   4.753   5.197  -1.573
  611    HA   ARG  18           HA       ARG  18   3.381   5.660   1.004
  612   1HB   ARG  18          1HB       ARG  18   6.271   4.922   0.340
  613   2HB   ARG  18          2HB       ARG  18   5.653   5.176   1.976
  614   1HG   ARG  18          1HG       ARG  18   3.961   3.362   1.596
  615   2HG   ARG  18          2HG       ARG  18   4.663   3.088  -0.001
  616   1HD   ARG  18          1HD       ARG  18   5.560   1.446   1.431
  617   2HD   ARG  18          2HD       ARG  18   6.875   2.611   1.159
  618    HE   ARG  18           HE       ARG  18   5.468   3.423   3.477
  619   1HH1  ARG  18          1HH2      ARG  18   7.409   0.687   2.410
  620   2HH1  ARG  18          2HH2      ARG  18   7.874   0.182   4.010
  621   1HH2  ARG  18          1HH1      ARG  18   6.036   2.791   5.592
  622   2HH2  ARG  18          2HH1      ARG  18   7.075   1.421   5.871
  623    H    GLU  19           H        GLU  19   5.864   7.077  -0.970
  624    HA   GLU  19           HA       GLU  19   6.472   9.350   0.582
  625   1HB   GLU  19          1HB       GLU  19   7.666   8.470  -1.473
  626   2HB   GLU  19          2HB       GLU  19   6.420   9.270  -2.444
  627   1HG   GLU  19          1HG       GLU  19   7.003  11.438  -1.540
  628   2HG   GLU  19          2HG       GLU  19   8.173  10.726  -0.426
  629    H    ALA  20           H        ALA  20   3.952   8.936  -1.989
  630    HA   ALA  20           HA       ALA  20   2.870  11.631  -1.180
  631   1HB   ALA  20          1HB       ALA  20   3.223  11.455  -3.539
  632   2HB   ALA  20          2HB       ALA  20   2.385   9.938  -3.662
  633   3HB   ALA  20          3HB       ALA  20   1.484  11.411  -3.275
  634    H    LEU  21           H        LEU  21   2.556   8.916   0.367
  635    HA   LEU  21           HA       LEU  21  -0.367   9.265   0.866
  636   1HB   LEU  21          1HB       LEU  21   0.201   7.033   0.728
  637   2HB   LEU  21          2HB       LEU  21   1.699   7.205   1.621
  638    HG   LEU  21           HG       LEU  21  -0.410   6.044   2.567
  639   1HD1  LEU  21          1HD1      LEU  21   0.420   6.241   4.809
  640   2HD1  LEU  21          2HD1      LEU  21   1.767   6.152   3.669
  641   3HD1  LEU  21          3HD1      LEU  21   1.309   7.708   4.400
  642   1HD2  LEU  21          1HD2      LEU  21  -0.919   8.650   4.003
  643   2HD2  LEU  21          2HD2      LEU  21  -1.833   8.221   2.546
  644   3HD2  LEU  21          3HD2      LEU  21  -1.863   7.182   3.977
  645    H    GLU  22           H        GLU  22   2.805   9.367   2.516
  646    HA   GLU  22           HA       GLU  22   1.716   9.967   5.074
  647   1HB   GLU  22          1HB       GLU  22   4.478  10.349   3.841
  648   2HB   GLU  22          2HB       GLU  22   4.144  10.889   5.487
  649   1HG   GLU  22          1HG       GLU  22   3.653   8.019   4.583
  650   2HG   GLU  22          2HG       GLU  22   5.180   8.587   5.263
  651    H    TYR  23           H        TYR  23   3.151  12.095   2.623
  652    HA   TYR  23           HA       TYR  23   2.848  14.521   4.046
  653   1HB   TYR  23          1HB       TYR  23   4.120  13.959   1.859
  654   2HB   TYR  23          2HB       TYR  23   2.588  14.195   1.039
  655    HD1  TYR  23           HD1      TYR  23   1.559  16.475   0.934
  656    HD2  TYR  23           HD2      TYR  23   5.381  15.793   2.813
  657    HE1  TYR  23           HE1      TYR  23   2.178  18.829   0.534
  658    HE2  TYR  23           HE2      TYR  23   5.997  18.154   2.417
  659    HH   TYR  23           HH       TYR  23   3.755  20.479   0.878
  660    H    VAL  24           H        VAL  24   0.571  12.583   2.166
  661    HA   VAL  24           HA       VAL  24  -1.386  14.789   1.926
  662    HB   VAL  24           HB       VAL  24  -1.351  11.899   1.155
  663   1HG1  VAL  24          1HG1      VAL  24  -3.707  12.526   1.395
  664   2HG1  VAL  24          2HG1      VAL  24  -3.437  14.021   0.471
  665   3HG1  VAL  24          3HG1      VAL  24  -3.323  12.440  -0.326
  666   1HG2  VAL  24          1HG2      VAL  24  -1.058  14.442  -0.514
  667   2HG2  VAL  24          2HG2      VAL  24   0.232  13.275  -0.158
  668   3HG2  VAL  24          3HG2      VAL  24  -1.129  12.802  -1.180
  669    H    LYS  25           H        LYS  25  -0.853  11.970   3.974
  670    HA   LYS  25           HA       LYS  25  -1.934  11.066   5.724
  671   1HB   LYS  25          1HB       LYS  25  -3.099  13.840   6.190
  672   2HB   LYS  25          2HB       LYS  25  -3.067  12.475   7.317
  673   1HG   LYS  25          1HG       LYS  25  -0.497  12.546   7.103
  674   2HG   LYS  25          2HG       LYS  25  -0.728  14.117   6.323
  675   1HD   LYS  25          1HD       LYS  25  -2.438  14.187   8.601
  676   2HD   LYS  25          2HD       LYS  25  -1.004  13.323   9.175
  677   1HE   LYS  25          1HE       LYS  25   0.408  15.240   8.443
  678   2HE   LYS  25          2HE       LYS  25  -1.033  16.048   7.789
  679   1HZ   LYS  25          1HZ       LYS  25  -1.950  16.089   9.988
  680   2HZ   LYS  25          2HZ       LYS  25  -0.610  15.359  10.611
  681   3HZ   LYS  25          3HZ       LYS  25  -0.498  16.868   9.954
  682    H    LEU  26           H        LEU  26  -3.182  10.295   3.513
  683    HA   LEU  26           HA       LEU  26  -6.060  10.297   4.367
  684   1HB   LEU  26          1HB       LEU  26  -4.804  10.317   1.710
  685   2HB   LEU  26          2HB       LEU  26  -6.023   9.056   1.901
  686    HG   LEU  26           HG       LEU  26  -6.606  11.908   2.748
  687   1HD1  LEU  26          1HD1      LEU  26  -5.941  12.109   0.450
  688   2HD1  LEU  26          2HD1      LEU  26  -6.854  10.671  -0.020
  689   3HD1  LEU  26          3HD1      LEU  26  -7.711  12.141   0.493
  690   1HD2  LEU  26          1HD2      LEU  26  -8.370   9.561   1.864
  691   2HD2  LEU  26          2HD2      LEU  26  -8.164  10.111   3.534
  692   3HD2  LEU  26          3HD2      LEU  26  -8.945  11.164   2.352
  693    HA   PRO  27           HA       PRO  27  -4.541   6.227   5.738
  694   1HB   PRO  27          1HB       PRO  27  -6.869   5.250   6.820
  695   2HB   PRO  27          2HB       PRO  27  -5.765   6.364   7.675
  696   1HG   PRO  27          1HG       PRO  27  -8.281   7.061   6.146
  697   2HG   PRO  27          2HG       PRO  27  -7.791   7.631   7.767
  698   1HD   PRO  27          1HD       PRO  27  -7.412   9.137   5.561
  699   2HD   PRO  27          2HD       PRO  27  -6.162   9.116   6.839
  700    H    VAL  28           H        VAL  28  -7.476   6.990   3.803
  701    HA   VAL  28           HA       VAL  28  -7.746   4.442   2.589
  702    HB   VAL  28           HB       VAL  28  -8.285   7.125   1.376
  703   1HG1  VAL  28          1HG1      VAL  28  -8.238   5.475  -0.374
  704   2HG1  VAL  28          2HG1      VAL  28  -9.121   4.293   0.615
  705   3HG1  VAL  28          3HG1      VAL  28  -9.944   5.732  -0.002
  706   1HG2  VAL  28          1HG2      VAL  28 -10.149   5.216   2.854
  707   2HG2  VAL  28          2HG2      VAL  28  -9.604   6.800   3.459
  708   3HG2  VAL  28          3HG2      VAL  28 -10.639   6.708   2.029
  709    H    LEU  29           H        LEU  29  -5.336   7.049   2.021
  710    HA   LEU  29           HA       LEU  29  -4.456   5.879  -0.499
  711   1HB   LEU  29          1HB       LEU  29  -3.852   8.290   1.012
  712   2HB   LEU  29          2HB       LEU  29  -2.367   7.440   0.590
  713    HG   LEU  29           HG       LEU  29  -4.469   7.890  -1.528
  714   1HD1  LEU  29          1HD1      LEU  29  -4.105  10.096  -0.578
  715   2HD1  LEU  29          2HD1      LEU  29  -2.340   9.875  -0.635
  716   3HD1  LEU  29          3HD1      LEU  29  -3.280   9.982  -2.139
  717   1HD2  LEU  29          1HD2      LEU  29  -1.419   7.672  -1.597
  718   2HD2  LEU  29          2HD2      LEU  29  -2.546   6.350  -1.975
  719   3HD2  LEU  29          3HD2      LEU  29  -2.496   7.797  -2.996
  720    H    ALA  30           H        ALA  30  -3.248   5.910   2.949
  721    HA   ALA  30           HA       ALA  30  -1.193   4.053   2.546
  722   1HB   ALA  30          1HB       ALA  30  -1.583   5.088   4.745
  723   2HB   ALA  30          2HB       ALA  30  -3.079   4.149   4.934
  724   3HB   ALA  30          3HB       ALA  30  -1.510   3.327   4.869
  725    H    LYS  31           H        LYS  31  -4.667   3.413   3.028
  726    HA   LYS  31           HA       LYS  31  -4.273   0.607   3.128
  727   1HB   LYS  31          1HB       LYS  31  -6.254   2.071   3.986
  728   2HB   LYS  31          2HB       LYS  31  -6.935   1.855   2.362
  729   1HG   LYS  31          1HG       LYS  31  -6.893  -0.603   2.678
  730   2HG   LYS  31          2HG       LYS  31  -6.011  -0.403   4.203
  731   1HD   LYS  31          1HD       LYS  31  -7.970   0.985   5.061
  732   2HD   LYS  31          2HD       LYS  31  -8.876   0.460   3.627
  733   1HE   LYS  31          1HE       LYS  31  -8.625  -1.902   4.318
  734   2HE   LYS  31          2HE       LYS  31  -7.573  -1.424   5.665
  735   1HZ   LYS  31          1HZ       LYS  31  -9.397  -0.218   6.604
  736   2HZ   LYS  31          2HZ       LYS  31 -10.395  -0.685   5.378
  737   3HZ   LYS  31          3HZ       LYS  31  -9.776  -1.808   6.414
  738    H    ILE  32           H        ILE  32  -4.735   2.971   0.616
  739    HA   ILE  32           HA       ILE  32  -5.590   0.993  -1.460
  740    HB   ILE  32           HB       ILE  32  -4.752   3.893  -1.632
  741   1HG1  ILE  32          1HG1      ILE  32  -7.183   2.362  -2.700
  742   2HG1  ILE  32          2HG1      ILE  32  -7.136   3.111  -1.110
  743   1HG2  ILE  32          1HG2      ILE  32  -3.583   2.893  -3.534
  744   2HG2  ILE  32          2HG2      ILE  32  -5.026   1.971  -3.985
  745   3HG2  ILE  32          3HG2      ILE  32  -4.991   3.733  -4.135
  746   1HD1  ILE  32          1HD1      ILE  32  -6.660   5.322  -2.234
  747   2HD1  ILE  32          2HD1      ILE  32  -6.972   4.538  -3.801
  748   3HD1  ILE  32          3HD1      ILE  32  -8.252   4.613  -2.592
  749    H    LEU  33           H        LEU  33  -2.568   2.544  -0.324
  750    HA   LEU  33           HA       LEU  33  -1.079   1.584  -2.511
  751   1HB   LEU  33          1HB       LEU  33   0.682   2.519  -1.596
  752   2HB   LEU  33          2HB       LEU  33  -0.684   3.523  -1.001
  753    HG   LEU  33           HG       LEU  33  -0.315   2.720   1.163
  754   1HD1  LEU  33          1HD1      LEU  33   0.598   0.551   1.089
  755   2HD1  LEU  33          2HD1      LEU  33   1.811   1.026  -0.141
  756   3HD1  LEU  33          3HD1      LEU  33   1.959   1.570   1.557
  757   1HD2  LEU  33          1HD2      LEU  33   2.237   3.562  -0.272
  758   2HD2  LEU  33          2HD2      LEU  33   0.887   4.666   0.038
  759   3HD2  LEU  33          3HD2      LEU  33   1.784   3.977   1.401
  760    H    GLU  34           H        GLU  34  -1.916   0.238   0.591
  761    HA   GLU  34           HA       GLU  34  -0.366  -2.123   0.529
  762   1HB   GLU  34          1HB       GLU  34  -1.851  -1.031   2.406
  763   2HB   GLU  34          2HB       GLU  34  -3.200  -1.844   1.667
  764   1HG   GLU  34          1HG       GLU  34  -0.683  -3.294   2.623
  765   2HG   GLU  34          2HG       GLU  34  -2.140  -3.084   3.604
  766    H    ASP  35           H        ASP  35  -3.719  -1.556  -0.550
  767    HA   ASP  35           HA       ASP  35  -4.217  -4.165  -1.436
  768   1HB   ASP  35          1HB       ASP  35  -5.793  -2.056  -1.349
  769   2HB   ASP  35          2HB       ASP  35  -5.297  -1.842  -3.036
  770    H    GLU  36           H        GLU  36  -2.851  -1.429  -3.303
  771    HA   GLU  36           HA       GLU  36  -2.512  -2.815  -5.770
  772   1HB   GLU  36          1HB       GLU  36  -0.978  -0.463  -4.621
  773   2HB   GLU  36          2HB       GLU  36  -0.803  -1.106  -6.260
  774   1HG   GLU  36          1HG       GLU  36  -3.611  -0.833  -5.913
  775   2HG   GLU  36          2HG       GLU  36  -2.921   0.615  -5.178
  776    H    GLU  37           H        GLU  37  -0.274  -2.616  -2.927
  777    HA   GLU  37           HA       GLU  37   1.913  -3.856  -3.991
  778   1HB   GLU  37          1HB       GLU  37   1.066  -2.912  -1.533
  779   2HB   GLU  37          2HB       GLU  37   0.820  -4.605  -1.189
  780   1HG   GLU  37          1HG       GLU  37   3.407  -3.600  -2.383
  781   2HG   GLU  37          2HG       GLU  37   3.027  -3.295  -0.688
  782    H    LYS  38           H        LYS  38  -1.006  -5.526  -2.779
  783    HA   LYS  38           HA       LYS  38   0.078  -8.147  -3.144
  784   1HB   LYS  38          1HB       LYS  38  -1.913  -7.414  -1.774
  785   2HB   LYS  38          2HB       LYS  38  -2.826  -7.252  -3.283
  786   1HG   LYS  38          1HG       LYS  38  -2.392  -9.682  -3.778
  787   2HG   LYS  38          2HG       LYS  38  -1.432  -9.801  -2.293
  788   1HD   LYS  38          1HD       LYS  38  -3.447  -9.229  -0.951
  789   2HD   LYS  38          2HD       LYS  38  -4.410  -9.135  -2.443
  790   1HE   LYS  38          1HE       LYS  38  -3.875 -11.526  -2.933
  791   2HE   LYS  38          2HE       LYS  38  -2.897 -11.613  -1.456
  792   1HZ   LYS  38          1HZ       LYS  38  -4.868 -11.152  -0.195
  793   2HZ   LYS  38          2HZ       LYS  38  -5.783 -11.080  -1.566
  794   3HZ   LYS  38          3HZ       LYS  38  -5.071 -12.500  -1.122
  795    H    HIS  39           H        HIS  39  -1.637  -5.985  -5.402
  796    HA   HIS  39           HA       HIS  39  -2.017  -8.011  -7.430
  797   1HB   HIS  39          1HB       HIS  39  -1.941  -4.981  -7.538
  798   2HB   HIS  39          2HB       HIS  39  -2.310  -5.992  -8.919
  799    HD1  HIS  39           HD1      HIS  39  -4.494  -7.874  -8.215
  800    HD2  HIS  39           HD2      HIS  39  -4.028  -4.265  -6.099
  801    HE1  HIS  39           HE1      HIS  39  -6.725  -7.394  -6.999
  802    HE2  HIS  39           HE2      HIS  39  -6.409  -5.179  -5.767
  803    H    ILE  40           H        ILE  40   0.629  -5.772  -6.643
  804    HA   ILE  40           HA       ILE  40   2.180  -6.503  -9.016
  805    HB   ILE  40           HB       ILE  40   2.848  -4.833  -6.561
  806   1HG1  ILE  40          1HG1      ILE  40   3.066  -3.074  -8.283
  807   2HG1  ILE  40          2HG1      ILE  40   2.703  -4.238  -9.573
  808   1HG2  ILE  40          1HG2      ILE  40   4.989  -5.994  -7.416
  809   2HG2  ILE  40          2HG2      ILE  40   4.607  -5.447  -9.048
  810   3HG2  ILE  40          3HG2      ILE  40   4.996  -4.281  -7.783
  811   1HD1  ILE  40          1HD1      ILE  40   0.361  -4.320  -8.799
  812   2HD1  ILE  40          2HD1      ILE  40   0.794  -3.220  -7.455
  813   3HD1  ILE  40          3HD1      ILE  40   0.905  -2.676  -9.127
  814    H    GLU  41           H        GLU  41   2.080  -7.441  -5.578
  815    HA   GLU  41           HA       GLU  41   4.149  -9.226  -5.400
  816   1HB   GLU  41          1HB       GLU  41   2.405  -8.582  -3.605
  817   2HB   GLU  41          2HB       GLU  41   1.406  -9.878  -4.302
  818   1HG   GLU  41          1HG       GLU  41   3.500 -11.384  -3.947
  819   2HG   GLU  41          2HG       GLU  41   4.062 -10.084  -2.886
  820    H    TRP  42           H        TRP  42   0.927  -9.830  -6.966
  821    HA   TRP  42           HA       TRP  42   1.123 -12.531  -7.389
  822   1HB   TRP  42          1HB       TRP  42  -0.683 -10.804  -8.029
  823   2HB   TRP  42          2HB       TRP  42   0.185 -10.634  -9.546
  824    HD1  TRP  42           HD1      TRP  42  -1.944 -13.012  -7.585
  825    HE1  TRP  42           HE1      TRP  42  -2.518 -15.138  -8.988
  826    HE3  TRP  42           HE3      TRP  42   1.064 -12.111 -11.505
  827    HZ2  TRP  42           HZ2      TRP  42  -1.542 -16.366 -11.466
  828    HZ3  TRP  42           HZ3      TRP  42   1.302 -13.768 -13.386
  829    HH2  TRP  42           HH2      TRP  42   0.162 -15.969 -13.228
  830    H    LEU  43           H        LEU  43   2.722  -9.951  -9.183
  831    HA   LEU  43           HA       LEU  43   3.929 -11.663 -11.240
  832   1HB   LEU  43          1HB       LEU  43   4.372  -8.779 -10.358
  833   2HB   LEU  43          2HB       LEU  43   5.324  -9.562 -11.594
  834    HG   LEU  43           HG       LEU  43   2.399  -9.923 -12.005
  835   1HD1  LEU  43          1HD1      LEU  43   2.121  -7.785 -11.053
  836   2HD1  LEU  43          2HD1      LEU  43   3.536  -7.111 -11.858
  837   3HD1  LEU  43          3HD1      LEU  43   2.109  -7.544 -12.805
  838   1HD2  LEU  43          1HD2      LEU  43   4.752  -8.991 -13.691
  839   2HD2  LEU  43          2HD2      LEU  43   3.996 -10.585 -13.676
  840   3HD2  LEU  43          3HD2      LEU  43   3.103  -9.190 -14.307
  841    H    GLU  44           H        GLU  44   4.904 -10.075  -8.198
  842    HA   GLU  44           HA       GLU  44   7.588 -11.202  -8.277
  843   1HB   GLU  44          1HB       GLU  44   6.287 -10.055  -5.796
  844   2HB   GLU  44          2HB       GLU  44   7.988 -10.134  -6.245
  845   1HG   GLU  44          1HG       GLU  44   7.212  -8.608  -8.282
  846   2HG   GLU  44          2HG       GLU  44   5.833  -8.264  -7.245
  847    H    THR  45           H        THR  45   5.268 -13.154  -8.319
  848    HA   THR  45           HA       THR  45   6.480 -14.983  -6.359
  849    HB   THR  45           HB       THR  45   4.519 -13.656  -5.345
  850    HG1  THR  45           HG1      THR  45   5.407 -15.451  -4.345
  851   1HG2  THR  45          1HG2      THR  45   2.874 -13.876  -7.041
  852   2HG2  THR  45          2HG2      THR  45   2.792 -15.640  -6.812
  853   3HG2  THR  45          3HG2      THR  45   2.314 -14.527  -5.508
  854    H    ILE  46           H        ILE  46   3.952 -14.474  -8.746
  855    HA   ILE  46           HA       ILE  46   3.213 -15.686 -10.475
  856    HB   ILE  46           HB       ILE  46   5.127 -14.580 -11.370
  857   1HG1  ILE  46          1HG1      ILE  46   5.577 -15.829 -13.340
  858   2HG1  ILE  46          2HG1      ILE  46   5.062 -17.351 -12.603
  859   1HG2  ILE  46          1HG2      ILE  46   6.988 -15.332 -10.049
  860   2HG2  ILE  46          2HG2      ILE  46   6.819 -16.998 -10.648
  861   3HG2  ILE  46          3HG2      ILE  46   7.311 -15.693 -11.738
  862   1HD1  ILE  46          1HD1      ILE  46   2.751 -16.542 -12.476
  863   2HD1  ILE  46          2HD1      ILE  46   3.281 -14.917 -12.986
  864   3HD1  ILE  46          3HD1      ILE  46   3.356 -16.285 -14.119
  865    H    LEU  47           H        LEU  47   2.548 -17.070  -8.592
  866    HA   LEU  47           HA       LEU  47   3.897 -19.457  -7.990
  867   1HB   LEU  47          1HB       LEU  47   2.334 -18.075  -6.602
  868   2HB   LEU  47          2HB       LEU  47   0.967 -18.831  -7.413
  869    HG   LEU  47           HG       LEU  47   3.140 -20.488  -6.046
  870   1HD1  LEU  47          1HD1      LEU  47   2.443 -18.806  -4.412
  871   2HD1  LEU  47          2HD1      LEU  47   0.733 -19.192  -4.706
  872   3HD1  LEU  47          3HD1      LEU  47   1.811 -20.397  -3.963
  873   1HD2  LEU  47          1HD2      LEU  47   0.157 -20.956  -6.531
  874   2HD2  LEU  47          2HD2      LEU  47   1.497 -21.787  -7.353
  875   3HD2  LEU  47          3HD2      LEU  47   1.227 -22.045  -5.629
  876    H    GLY  48           H        GLY  48   4.277 -20.426 -10.041
  877   1HA   GLY  48          1HA       GLY  48   2.476 -22.635 -10.517
  878   2HA   GLY  48          2HA       GLY  48   2.428 -21.470 -11.857
  879   1HN   NH2  49          1HN       NH2  49   4.762 -20.655 -12.522
  880   2HN   NH2  49          2HN       NH2  49   5.974 -21.950 -12.711