*HEADER    MEMBRANE PROTEIN                        23-NOV-18   6ITH              
*TITLE     STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF SYNDECAN 2 IN MICELLES       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SYNDECAN-2;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SYND2,FIBROGLYCAN,HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN,
*COMPND   5 HSPG;                                                                
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SDC2, HSPG1;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
*KEYWDS    MEMBRANE PROTEIN, DPC, MICELLES                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    Q.LI,H.Q.NG,C.KANG                                                    
*REVDAT   1   27-FEB-19 6ITH    0                                                
# Restraints file 1: demo.aco
   5 THR   PHI     -61.4     4.9 
   5 THR   PSI     -41.0     5.0
   6 GLU   PHI     -57.7     4.9 
   6 GLU   PSI     -45.9     4.1
   7 VAL   PHI     -64.2     5.9 
   7 VAL   PSI     -43.2     3.1
   8 LEU   PHI     -61.2     8.6 
   8 LEU   PSI     -41.6     8.7
   9 ALA   PHI     -59.6     5.9 
   9 ALA   PSI     -42.7     6.7
  10 ALA   PHI     -62.9     5.0 
  10 ALA   PSI     -45.9     4.9
  11 VAL   PHI     -65.4     6.6 
  11 VAL   PSI     -42.7    12.7
  12 ILE   PHI     -62.9     5.1 
  12 ILE   PSI     -46.5     5.8
  13 ALA   PHI     -60.1     7.3 
  13 ALA   PSI     -40.4     6.3
  14 GLY   PHI     -63.8     4.8 
  14 GLY   PSI     -37.8     4.5
  15 GLY   PHI     -67.1     9.1 
  15 GLY   PSI     -39.1     19.9
  16 VAL   PHI     -64.7     3.4 
  16 VAL   PSI     -44.8     6.6
  17 ILE   PHI     -63.5     4.8 
  17 ILE   PSI     -43.8     9.1
  18 GLY   PHI     -63.3     4.5 
  18 GLY   PSI     -41.0     4.9
  19 PHE   PHI     -63.2     5.5 
  19 PHE   PSI     -40.8     5.7
  20 LEU   PHI     -62.5     3.2 
  20 LEU   PSI     -35.8    11.1
  21 PHE   PHI     -68.7     5.6 
  21 PHE   PSI     -41.7     6.2
  22 ALA   PHI     -60.6     4.1 
  22 ALA   PSI     -42.2     5.1
  23 ILE   PHI     -66.2     8.5 
  23 ILE   PSI     -40.5     9.3
  24 PHE   PHI     -66.8     6.1 
  24 PHE   PSI     -38.0     8.6
  25 LEU   PHI     -65.9     10.9 
  25 LEU   PSI     -40.1     8.9
  26 ILE   PHI     -63.2     4.0 
  26 ILE   PSI     -43.1     6.1
  27 LEU   PHI     -60.3     2.7 
  27 LEU   PSI     -40.6     5.6
  28 LEU   PHI     -62.4     5.1 
  28 LEU   PSI     -42.2     6.5
  29 LEU   PHI     -64.7     5.1 
  29 LEU   PSI     -44.0     7.8
  30 VAL   PHI     -62.0     3.6 
  30 VAL   PSI     -45.0     3.1
  32 ARG   PHI     -63.3     5.9 
  32 ARG   PSI     -41.6     3.5
  33 MET   PHI     -66.2     7.9 
  33 MET   PSI     -21.2    13.4
  34 ARG   PHI     -73.2    13.8 
  34 ARG   PSI     -31.6    18.7
  35 LYS   PHI     -70.3    11.1 
  35 LYS   PSI     -26.6    18.4
# Restraints file 2: hbonds.upl
  4 SER  O       8 LEU  H       2.00
  4 SER  O       8 LEU  N       3.00
  5 THR  O       9 ALA  H       2.00
  5 THR  O       9 ALA  N       3.00
  6 GLU  O      10 ALA  H       2.00
  6 GLU  O      10 ALA  N       3.00
  7 VAL  O      11 VAL  H       2.00
  7 VAL  O      11 VAL  N       3.00
  8 LEU  O      12 ILE  H       2.00
  8 LEU  O      12 ILE  N       3.00
  9 ALA  O      13 ALA  H       2.00
  9 ALA  O      13 ALA  N       3.00
 10 ALA  O      14 GLY  H       2.00
 10 ALA  O      14 GLY  N       3.00
 11 VAL  O      15 GLY  H       2.00
 11 VAL  O      15 GLY  N       3.00
 12 ILE  O      16 VAL  H       2.00
 12 ILE  O      16 VAL  N       3.00
 13 ALA  O      17 ILE  H       2.00
 13 ALA  O      17 ILE  N       3.00
 14 GLY  O      18 GLY  H       2.00
 14 GLY  O      18 GLY  N       3.00
 15 GLY  O      19 PHE  H       2.00
 15 GLY  O      19 PHE  N       3.00
 16 VAL  O      20 LEU  H       2.00
 16 VAL  O      20 LEU  N       3.00
 17 ILE  O      21 PHE  H       2.00
 17 ILE  O      21 PHE  N       3.00
 18 GLY  O      22 ALA  H       2.00
 18 GLY  O      22 ALA  N       3.00
 19 PHE  O      23 ILE  H       2.00
 19 PHE  O      23 ILE  N       3.00
 20 LEU  O      24 PHE  H       2.00
 20 LEU  O      24 PHE  N       3.00
 21 PHE  O      25 LEU  H       2.00
 21 PHE  O      25 LEU  N       3.00
 22 ALA  O      26 ILE  H       2.00
 22 ALA  O      26 ILE  N       3.00
 23 ILE  O      27 LEU  H       2.00
 23 ILE  O      27 LEU  N       3.00
 24 PHE  O      28 LEU  H       2.00
 24 PHE  O      28 LEU  N       3.00
 25 LEU  O      29 LEU  H       2.00
 25 LEU  O      29 LEU  N       3.00
 26 ILE  O      30 VAL  H       2.00
 26 ILE  O      30 VAL  N       3.00
 27 LEU  O      31 TYR  H       2.00
 27 LEU  O      31 TYR  N       3.00
 28 LEU  O      32 ARG  H       2.00
 28 LEU  O      32 ARG  N       3.00
# Restraints file 3: demo.upl
 20 LEU  H      21 PHE  H       3.71            #peak 3 #SUP 1.00 #QF 1.00
 21 PHE  H      23 ILE  H       4.97            #peak 9 #SUP 1.00 #QF 1.00
 19 PHE  HA     21 PHE  H       5.50            #peak 10 #SUP 0.89 #QF 0.66
 18 GLY  HA2    21 PHE  H       3.50            #peak 12 #SUP 0.53 #QF 0.53
 21 PHE  H      21 PHE  HB2     3.07            #peak 13 #SUP 0.90 #QF 0.90
 18 GLY  H      19 PHE  H       3.88            #peak 15 #SUP 1.00 #QF 1.00
 17 ILE  H      18 GLY  H       4.23            #peak 16 #SUP 1.00 #QF 1.00
 18 GLY  H      19 PHE  HA      5.48            #peak 19 #SUP 0.36 #QF 0.36
 17 ILE  HB     18 GLY  H       4.93            #peak 22 #SUP 1.00 #QF 0.75
 15 GLY  H      16 VAL  H       4.06            #peak 24 #SUP 1.00 #QF 1.00
 15 GLY  H      17 ILE  H       5.44            #peak 25 #SUP 0.92 #QF 0.92
 15 GLY  H      18 GLY  H       5.46            #peak 26 #SUP 0.89 #QF 0.89
 14 GLY  HA2    15 GLY  H       3.37            #peak 27 #SUP 0.84 #QF 0.84
 13 ALA  HA     15 GLY  H       4.28            #peak 30 #SUP 0.37 #QF 0.37
 13 ALA  QB     14 GLY  H       4.16            #peak 39 #SUP 1.00 #QF 1.00
  3 GLN  HA      4 SER  H       3.20            #peak 40 #SUP 0.99 #QF 0.32
 18 GLY  HA2    20 LEU  H       4.61            #peak 46 #SUP 0.61 #QF 0.61
 19 PHE  HB2    20 LEU  H       3.73            #peak 47 #SUP 0.63 #QF 0.63
 32 ARG  H      33 MET  H       3.79            #peak 51 #SUP 0.77 #QF 0.77
 24 PHE  H      25 LEU  H       3.60            #peak 56 #SUP 1.00 #QF 0.99
 29 LEU  H      30 VAL  H       3.90            #peak 56 #SUP 1.00 #QF 0.99
 23 ILE  H      24 PHE  H       3.61            #peak 57 #SUP 1.00 #QF 1.00
 21 PHE  HA     24 PHE  H       4.22            #peak 59 #SUP 0.62 #QF 0.62
 24 PHE  H      24 PHE  HB2     3.10            #peak 63 #SUP 0.68 #QF 0.68
 31 TYR  H      33 MET  H       4.29            #peak 65 #SUP 0.89 #QF 0.89
 13 ALA  H      13 ALA  QB      2.94            #peak 76 #SUP 1.00 #QF 1.00
  1 MET  HA      2 GLU  H       2.98            #peak 77 #SUP 0.58 #QF 0.58
  2 GLU  H       2 GLU  HB2     2.82            #peak 78 #SUP 0.21 #QF 0.21
  6 GLU  H       7 VAL  H       3.83            #peak 80 #SUP 1.00 #QF 1.00
 19 PHE  H      21 PHE  H       5.50            #peak 89 #SUP 0.99 #QF 0.99
 19 PHE  H      19 PHE  HB2     4.07            #peak 95 #SUP 0.98 #QF 0.93
 13 ALA  HA     16 VAL  H       4.25            #peak 100 #SUP 0.50 #QF 0.50
  2 GLU  HA      3 GLN  H       3.43            #peak 105 #SUP 1.00 #QF 0.39
  4 SER  HA      5 THR  H       3.53            #peak 110 #SUP 0.77 #QF 0.77
 10 ALA  H      11 VAL  H       3.92            #peak 116 #SUP 0.98 #QF 0.89
 11 VAL  H      12 ILE  H       4.47            #peak 116 #SUP 0.98 #QF 0.89
  4 SER  H       5 THR  H       3.66            #peak 124 #SUP 0.97 #QF 0.33
 16 VAL  H      17 ILE  H       3.84            #peak 131 #SUP 0.93 #QF 0.85
 33 MET  H      34 ARG  H       4.05            #peak 131 #SUP 0.93 #QF 0.85
 32 ARG  H      34 ARG  H       5.50            #peak 132 #SUP 0.98 #QF 0.89
 31 TYR  HA     34 ARG  H       5.39            #peak 134 #SUP 0.75 #QF 0.24
 32 ARG  HA     34 ARG  H       4.43            #peak 135 #SUP 0.28 #QF 0.28
  5 THR  H       7 VAL  H       5.50            #peak 139 #SUP 0.97 #QF 0.93
  7 VAL  H       9 ALA  H       5.50            #peak 139 #SUP 0.97 #QF 0.93
  5 THR  HA      7 VAL  H       4.64            #peak 140 #SUP 0.39 #QF 0.39
 19 PHE  HA     23 ILE  H       5.50            #peak 147 #SUP 0.90 #QF 0.71
 23 ILE  H      24 PHE  HA      5.50            #peak 147 #SUP 0.90 #QF 0.71
 20 LEU  HA     23 ILE  H       4.47            #peak 148 #SUP 0.64 #QF 0.64
 22 ALA  QB     23 ILE  H       3.22            #peak 154 #SUP 0.92 #QF 0.92
 22 ALA  HA     24 PHE  H       4.26            #peak 160 #SUP 0.59 #QF 0.59
 27 LEU  H      28 LEU  H       3.86            #peak 164 #SUP 1.00 #QF 0.56
 26 ILE  H      27 LEU  H       3.78            #peak 168 #SUP 0.96 #QF 0.92
 28 LEU  H      29 LEU  H       4.07            #peak 168 #SUP 0.96 #QF 0.92
  6 GLU  HA      9 ALA  H       4.49            #peak 173 #SUP 0.99 #QF 0.29
 25 LEU  H      26 ILE  H       4.03            #peak 177 #SUP 1.00 #QF 1.00
 23 ILE  HA     25 LEU  H       4.58            #peak 181 #SUP 0.68 #QF 0.68
 24 PHE  HB2    25 LEU  H       5.42            #peak 182 #SUP 0.98 #QF 0.59
 24 PHE  HA     26 ILE  H       4.64            #peak 188 #SUP 0.99 #QF 0.22
  7 VAL  H       8 LEU  H       3.42            #peak 190 #SUP 0.76 #QF 0.76
 12 ILE  H      13 ALA  H       3.88            #peak 193 #SUP 0.99 #QF 0.99
  8 LEU  H       9 ALA  H       4.21            #peak 199 #SUP 1.00 #QF 0.79
  9 ALA  H      10 ALA  H       4.53            #peak 199 #SUP 1.00 #QF 0.79
  9 ALA  QB     10 ALA  H       3.51            #peak 206 #SUP 0.85 #QF 0.85
 21 PHE  H      22 ALA  H       3.67            #peak 207 #SUP 1.00 #QF 1.00
 22 ALA  H      23 ILE  H       3.44            #peak 208 #SUP 0.97 #QF 0.97
 20 LEU  H      22 ALA  H       5.50            #peak 210 #SUP 1.00 #QF 0.98
 19 PHE  HA     22 ALA  H       5.23            #peak 212 #SUP 0.99 #QF 0.78
 21 PHE  HB2    22 ALA  H       3.64            #peak 217 #SUP 0.86 #QF 0.86
 21 PHE  H      22 ALA  QB      4.28            #peak 221 #SUP 0.94 #QF 0.94
  3 GLN  HB3     4 SER  H       3.70            #peak 225 #SUP 0.49 #QF 0.21
 20 LEU  H      22 ALA  QB      4.67            #peak 228 #SUP 0.85 #QF 0.85
 32 ARG  H      34 ARG  HB2     5.28            #peak 231 #SUP 0.68 #QF 0.68
 29 LEU  HB2    30 VAL  H       3.91            #peak 236 #SUP 0.26 #QF 0.26
 24 PHE  H      25 LEU  HB2     5.50            #peak 237 #SUP 0.75 #QF 0.62
 22 ALA  QB     24 PHE  H       4.69            #peak 239 #SUP 0.96 #QF 0.96
 31 TYR  H      34 ARG  HB2     5.28            #peak 242 #SUP 0.75 #QF 0.75
 31 TYR  H      33 MET  HB2     5.50            #peak 244 #SUP 0.88 #QF 0.88
  2 GLU  H       3 GLN  H       4.54            #peak 252 #SUP 0.99 #QF 0.99
  2 GLU  H       3 GLN  HB2     4.25            #peak 256 #SUP 0.30 #QF 0.30
  2 GLU  H       2 GLU  HB3     3.97            #peak 257 #SUP 0.72 #QF 0.64
  6 GLU  H       6 GLU  HB2     3.78            #peak 261 #SUP 0.64 #QF 0.31
  6 GLU  H       9 ALA  QB      5.50            #peak 262 #SUP 0.32 #QF 0.32
 19 PHE  H      22 ALA  QB      5.40            #peak 274 #SUP 0.83 #QF 0.83
 16 VAL  H      16 VAL  HB      3.84            #peak 276 #SUP 0.93 #QF 0.93
 13 ALA  QB     16 VAL  H       5.43            #peak 277 #SUP 0.94 #QF 0.94
  3 GLN  H       3 GLN  HB2     3.38            #peak 285 #SUP 0.73 #QF 0.65
 33 MET  H      34 ARG  HB2     4.72            #peak 287 #SUP 0.24 #QF 0.24
 11 VAL  H      11 VAL  HB      2.80            #peak 289 #SUP 0.36 #QF 0.36
  3 GLN  HB3     5 THR  H       5.33            #peak 290 #SUP 0.53 #QF 0.27
  5 THR  H       6 GLU  HB2     5.50            #peak 290 #SUP 0.53 #QF 0.27
 11 VAL  H      12 ILE  HA      5.50            #peak 292 #SUP 0.39 #QF 0.39
 33 MET  H      33 MET  HB2     3.29            #peak 294 #SUP 0.41 #QF 0.41
  9 ALA  QB     11 VAL  H       4.89            #peak 297 #SUP 0.38 #QF 0.22
 10 ALA  QB     11 VAL  H       3.36            #peak 299 #SUP 0.60 #QF 0.60
 16 VAL  HB     17 ILE  H       4.07            #peak 305 #SUP 0.83 #QF 0.83
 33 MET  HB2    34 ARG  H       4.62            #peak 308 #SUP 0.63 #QF 0.63
  6 GLU  HB2     7 VAL  H       4.24            #peak 312 #SUP 0.93 #QF 0.36
  7 VAL  H       8 LEU  HB2     5.50            #peak 315 #SUP 0.85 #QF 0.85
 30 VAL  H      33 MET  HB2     5.36            #peak 322 #SUP 0.63 #QF 0.63
 27 LEU  HB2    28 LEU  H       3.37            #peak 324 #SUP 0.23 #QF 0.23
 28 LEU  H      28 LEU  HB2     3.32            #peak 329 #SUP 0.59 #QF 0.28
 27 LEU  H      27 LEU  HB2     3.52            #peak 330 #SUP 0.78 #QF 0.63
 29 LEU  H      29 LEU  HB2     2.81            #peak 333 #SUP 0.40 #QF 0.20
  8 LEU  HB2     9 ALA  H       3.49            #peak 337 #SUP 0.31 #QF 0.31
  9 ALA  H       9 ALA  QB      3.28            #peak 339 #SUP 1.00 #QF 1.00
 25 LEU  H      25 LEU  HB2     3.68            #peak 339 #SUP 1.00 #QF 1.00
 22 ALA  QB     25 LEU  H       4.6666664            #peak 340 #SUP 0.58 #QF 0.58
 26 ILE  HB     27 LEU  H       4.01            #peak 342 #SUP 0.26 #QF 0.26
 26 ILE  H      27 LEU  HB2     4.91            #peak 347 #SUP 0.30 #QF 0.30
  5 THR  H       6 GLU  H       4.19            #peak 348 #SUP 0.90 #QF 0.82
 26 ILE  H      26 ILE  HB      3.24            #peak 352 #SUP 0.39 #QF 0.39
  7 VAL  HB      8 LEU  H       4.28            #peak 354 #SUP 0.93 #QF 0.83
 11 VAL  HB     12 ILE  H       4.60            #peak 354 #SUP 0.93 #QF 0.83
  8 LEU  H       8 LEU  HB2     3.13            #peak 357 #SUP 0.69 #QF 0.40
 10 ALA  H      10 ALA  QB      3.25            #peak 357 #SUP 0.69 #QF 0.40
 22 ALA  H      24 PHE  H       4.57            #peak 360 #SUP 0.99 #QF 0.99
 22 ALA  H      22 ALA  QB      3.05            #peak 363 #SUP 0.99 #QF 0.99
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1  11.472   6.235  -9.314
    2    HA   MET   1           HA       MET   1  10.830   4.785  -7.683
    3    HB2  MET   1           HB2      MET   1   9.604   5.717  -5.704
    4    HB3  MET   1           HB3      MET   1  11.113   6.537  -6.080
    5    HG2  MET   1           HG2      MET   1   9.061   7.865  -7.492
    6    HG3  MET   1           HG3      MET   1   8.496   7.619  -5.841
    7    HE1  MET   1           HE1      MET   1  11.142  10.203  -7.869
    8    HE2  MET   1           HE2      MET   1   9.417   9.847  -7.947
    9    HE3  MET   1           HE3      MET   1   9.999  11.176  -6.943
   10    H    GLU   2           H        GLU   2   9.264   3.265  -7.585
   11    HA   GLU   2           HA       GLU   2   6.680   3.945  -8.819
   12    HB2  GLU   2           HB2      GLU   2   8.486   1.647  -9.054
   13    HB3  GLU   2           HB3      GLU   2   6.804   1.200  -8.809
   14    HG2  GLU   2           HG2      GLU   2   6.226   2.722 -10.718
   15    HG3  GLU   2           HG3      GLU   2   7.955   2.872 -11.023
   16    H    GLN   3           H        GLN   3   8.225   2.374  -6.088
   17    HA   GLN   3           HA       GLN   3   5.765   1.448  -4.933
   18    HB2  GLN   3           HB2      GLN   3   8.567   1.103  -4.447
   19    HB3  GLN   3           HB3      GLN   3   7.784   1.593  -2.951
   20    HG2  GLN   3           HG2      GLN   3   7.235  -0.532  -2.668
   21    HG3  GLN   3           HG3      GLN   3   6.090  -0.328  -3.993
   22   HE21  GLN   3          HE21      GLN   3   6.209  -2.100  -5.179
   23   HE22  GLN   3          HE22      GLN   3   7.660  -2.825  -5.773
   24    H    SER   4           H        SER   4   5.258   2.089  -2.603
   25    HA   SER   4           HA       SER   4   5.196   5.022  -2.485
   26    HB2  SER   4           HB2      SER   4   3.409   4.327  -0.613
   27    HB3  SER   4           HB3      SER   4   2.988   4.440  -2.321
   28    HG   SER   4           HG       SER   4   2.759   2.342  -0.783
   29    H    THR   5           H        THR   5   7.494   3.425  -1.651
   30    HA   THR   5           HA       THR   5   7.604   3.171   1.156
   31    HB   THR   5           HB       THR   5   9.915   3.654  -0.733
   32    HG1  THR   5           HG1      THR   5   8.495   1.313   0.005
   33   HG21  THR   5          HG21      THR   5   9.856   3.518   2.057
   34   HG22  THR   5          HG22      THR   5  11.274   3.388   1.017
   35   HG23  THR   5          HG23      THR   5  10.420   1.933   1.529
   36    H    GLU   6           H        GLU   6   8.548   5.796  -1.030
   37    HA   GLU   6           HA       GLU   6   9.711   7.481   0.881
   38    HB2  GLU   6           HB2      GLU   6   8.376   8.012  -1.763
   39    HB3  GLU   6           HB3      GLU   6   9.024   9.319  -0.783
   40    HG2  GLU   6           HG2      GLU   6  10.641   6.962  -1.715
   41    HG3  GLU   6           HG3      GLU   6  10.546   8.498  -2.574
   42    H    VAL   7           H        VAL   7   6.383   7.429  -0.384
   43    HA   VAL   7           HA       VAL   7   5.419   9.505   1.270
   44    HB   VAL   7           HB       VAL   7   3.155   8.598   0.726
   45   HG11  VAL   7          HG11      VAL   7   5.042   9.817  -0.946
   46   HG12  VAL   7          HG12      VAL   7   4.238   8.597  -1.936
   47   HG13  VAL   7          HG13      VAL   7   3.287   9.836  -1.115
   48   HG21  VAL   7          HG21      VAL   7   3.578   6.256   0.612
   49   HG22  VAL   7          HG22      VAL   7   3.088   6.779  -1.000
   50   HG23  VAL   7          HG23      VAL   7   4.789   6.475  -0.651
   51    H    LEU   8           H        LEU   8   5.418   5.981   1.620
   52    HA   LEU   8           HA       LEU   8   3.890   5.861   3.978
   53    HB2  LEU   8           HB2      LEU   8   5.852   4.040   2.654
   54    HB3  LEU   8           HB3      LEU   8   5.266   3.662   4.272
   55    HG   LEU   8           HG       LEU   8   3.367   4.143   1.998
   56   HD11  LEU   8          HD11      LEU   8   5.007   1.728   2.585
   57   HD12  LEU   8          HD12      LEU   8   4.503   2.402   1.036
   58   HD13  LEU   8          HD13      LEU   8   3.344   1.522   2.033
   59   HD21  LEU   8          HD21      LEU   8   3.051   3.716   4.730
   60   HD22  LEU   8          HD22      LEU   8   2.670   2.164   3.983
   61   HD23  LEU   8          HD23      LEU   8   1.802   3.618   3.489
   62    H    ALA   9           H        ALA   9   7.391   6.057   3.455
   63    HA   ALA   9           HA       ALA   9   8.165   5.861   6.150
   64    HB1  ALA   9           HB1      ALA   9  10.291   6.834   5.422
   65    HB2  ALA   9           HB2      ALA   9   9.741   5.572   4.319
   66    HB3  ALA   9           HB3      ALA   9   9.559   7.270   3.877
   67    H    ALA  10           H        ALA  10   7.411   8.675   4.129
   68    HA   ALA  10           HA       ALA  10   8.065  10.652   6.019
   69    HB1  ALA  10           HB1      ALA  10   5.927  11.588   4.412
   70    HB2  ALA  10           HB2      ALA  10   7.650  11.932   4.257
   71    HB3  ALA  10           HB3      ALA  10   6.946  10.556   3.408
   72    H    VAL  11           H        VAL  11   4.981   9.050   5.284
   73    HA   VAL  11           HA       VAL  11   3.392  10.490   7.095
   74    HB   VAL  11           HB       VAL  11   3.031   7.646   6.141
   75   HG11  VAL  11          HG11      VAL  11   0.538   8.608   6.579
   76   HG12  VAL  11          HG12      VAL  11   1.449   7.642   7.742
   77   HG13  VAL  11          HG13      VAL  11   1.433   9.401   7.874
   78   HG21  VAL  11          HG21      VAL  11   1.266   9.550   4.939
   79   HG22  VAL  11          HG22      VAL  11   2.935  10.077   4.722
   80   HG23  VAL  11          HG23      VAL  11   2.436   8.478   4.169
   81    H    ILE  12           H        ILE  12   5.199   7.464   7.475
   82    HA   ILE  12           HA       ILE  12   4.342   6.856  10.079
   83    HB   ILE  12           HB       ILE  12   6.953   6.173   8.725
   84   HG12  ILE  12          HG12      ILE  12   4.712   4.245   9.165
   85   HG13  ILE  12          HG13      ILE  12   4.578   5.406   7.849
   86   HG21  ILE  12          HG21      ILE  12   5.911   5.595  11.407
   87   HG22  ILE  12          HG22      ILE  12   6.521   4.194  10.527
   88   HG23  ILE  12          HG23      ILE  12   7.568   5.585  10.805
   89   HD11  ILE  12          HD11      ILE  12   7.102   4.401   7.509
   90   HD12  ILE  12          HD12      ILE  12   6.188   2.998   8.062
   91   HD13  ILE  12          HD13      ILE  12   5.657   3.890   6.636
   92    H    ALA  13           H        ALA  13   7.216   8.614   8.943
   93    HA   ALA  13           HA       ALA  13   8.331   9.133  11.461
   94    HB1  ALA  13           HB1      ALA  13   8.559  10.918   9.046
   95    HB2  ALA  13           HB2      ALA  13   9.706  10.746  10.375
   96    HB3  ALA  13           HB3      ALA  13   9.463   9.416   9.243
   97    H    GLY  14           H        GLY  14   5.985  10.955   9.532
   98    HA2  GLY  14           HA2      GLY  14   5.879  13.227  11.215
   99    HA3  GLY  14           HA3      GLY  14   4.649  12.749  10.055
  100    H    GLY  15           H        GLY  15   4.089  10.185  11.215
  101    HA2  GLY  15           HA2      GLY  15   2.162  10.988  13.148
  102    HA3  GLY  15           HA3      GLY  15   2.536   9.335  12.683
  103    H    VAL  16           H        VAL  16   5.213   9.190  13.394
  104    HA   VAL  16           HA       VAL  16   5.013   8.679  16.171
  105    HB   VAL  16           HB       VAL  16   6.506   7.356  14.807
  106   HG11  VAL  16          HG11      VAL  16   8.179   9.835  14.432
  107   HG12  VAL  16          HG12      VAL  16   8.474   8.234  13.752
  108   HG13  VAL  16          HG13      VAL  16   7.085   9.180  13.215
  109   HG21  VAL  16          HG21      VAL  16   8.505   7.416  16.192
  110   HG22  VAL  16          HG22      VAL  16   8.079   9.028  16.767
  111   HG23  VAL  16          HG23      VAL  16   7.063   7.647  17.181
  112    H    ILE  17           H        ILE  17   6.619  11.231  14.309
  113    HA   ILE  17           HA       ILE  17   7.837  12.518  16.505
  114    HB   ILE  17           HB       ILE  17   7.040  13.566  13.792
  115   HG12  ILE  17          HG12      ILE  17   8.821  11.822  13.902
  116   HG13  ILE  17          HG13      ILE  17   9.392  13.363  13.270
  117   HG21  ILE  17          HG21      ILE  17   7.133  15.556  14.909
  118   HG22  ILE  17          HG22      ILE  17   8.245  14.944  16.132
  119   HG23  ILE  17          HG23      ILE  17   8.841  15.352  14.523
  120   HD11  ILE  17          HD11      ILE  17  10.498  11.865  15.336
  121   HD12  ILE  17          HD12      ILE  17  10.931  13.505  14.851
  122   HD13  ILE  17          HD13      ILE  17   9.735  13.247  16.121
  123    H    GLY  18           H        GLY  18   4.752  13.089  14.836
  124    HA2  GLY  18           HA2      GLY  18   3.981  15.345  16.343
  125    HA3  GLY  18           HA3      GLY  18   2.895  14.291  15.449
  126    H    PHE  19           H        PHE  19   3.328  11.891  16.807
  127    HA   PHE  19           HA       PHE  19   1.586  12.198  19.002
  128    HB2  PHE  19           HB2      PHE  19   2.976   9.999  17.660
  129    HB3  PHE  19           HB3      PHE  19   2.777   9.740  19.390
  130    HD1  PHE  19           HD1      PHE  19   0.760  10.967  16.498
  131    HD2  PHE  19           HD2      PHE  19   0.888   8.632  20.054
  132    HE1  PHE  19           HE1      PHE  19  -1.568  10.267  16.118
  133    HE2  PHE  19           HE2      PHE  19  -1.439   7.928  19.679
  134    HZ   PHE  19           HZ       PHE  19  -2.670   8.744  17.709
  135    H    LEU  20           H        LEU  20   5.085  11.713  18.798
  136    HA   LEU  20           HA       LEU  20   5.554  11.471  21.567
  137    HB2  LEU  20           HB2      LEU  20   7.092  11.576  19.170
  138    HB3  LEU  20           HB3      LEU  20   7.796  12.691  20.339
  139    HG   LEU  20           HG       LEU  20   7.831  10.759  21.971
  140   HD11  LEU  20          HD11      LEU  20   7.784   8.509  20.985
  141   HD12  LEU  20          HD12      LEU  20   7.254   9.204  19.454
  142   HD13  LEU  20          HD13      LEU  20   6.221   9.318  20.878
  143   HD21  LEU  20          HD21      LEU  20   9.976  10.668  21.416
  144   HD22  LEU  20          HD22      LEU  20   9.595  11.490  19.903
  145   HD23  LEU  20          HD23      LEU  20   9.598   9.727  19.972
  146    H    PHE  21           H        PHE  21   5.441  14.255  19.405
  147    HA   PHE  21           HA       PHE  21   6.362  16.157  21.294
  148    HB2  PHE  21           HB2      PHE  21   5.596  16.159  18.574
  149    HB3  PHE  21           HB3      PHE  21   4.579  17.348  19.381
  150    HD1  PHE  21           HD1      PHE  21   5.382  19.482  19.726
  151    HD2  PHE  21           HD2      PHE  21   8.139  16.305  19.077
  152    HE1  PHE  21           HE1      PHE  21   7.232  21.104  19.669
  153    HE2  PHE  21           HE2      PHE  21   9.993  17.921  19.021
  154    HZ   PHE  21           HZ       PHE  21   9.542  20.323  19.318
  155    H    ALA  22           H        ALA  22   3.134  15.086  20.315
  156    HA   ALA  22           HA       ALA  22   1.661  16.928  21.846
  157    HB1  ALA  22           HB1      ALA  22  -0.003  14.802  21.745
  158    HB2  ALA  22           HB2      ALA  22   0.228  15.942  20.418
  159    HB3  ALA  22           HB3      ALA  22   1.105  14.412  20.428
  160    H    ILE  23           H        ILE  23   2.816  13.658  22.590
  161    HA   ILE  23           HA       ILE  23   1.624  13.486  25.146
  162    HB   ILE  23           HB       ILE  23   4.072  12.063  24.095
  163   HG12  ILE  23          HG12      ILE  23   1.323  10.884  24.340
  164   HG13  ILE  23          HG13      ILE  23   1.752  11.838  22.925
  165   HG21  ILE  23          HG21      ILE  23   2.746  12.036  26.681
  166   HG22  ILE  23          HG22      ILE  23   2.853  10.434  25.952
  167   HG23  ILE  23          HG23      ILE  23   4.315  11.387  26.207
  168   HD11  ILE  23          HD11      ILE  23   2.990   9.270  23.863
  169   HD12  ILE  23          HD12      ILE  23   2.109   9.575  22.366
  170   HD13  ILE  23          HD13      ILE  23   3.704  10.287  22.613
  171    H    PHE  24           H        PHE  24   4.741  14.685  24.028
  172    HA   PHE  24           HA       PHE  24   5.907  15.005  26.590
  173    HB2  PHE  24           HB2      PHE  24   6.893  15.117  24.094
  174    HB3  PHE  24           HB3      PHE  24   6.716  16.842  24.402
  175    HD1  PHE  24           HD1      PHE  24   8.366  13.748  25.522
  176    HD2  PHE  24           HD2      PHE  24   8.162  17.983  25.899
  177    HE1  PHE  24           HE1      PHE  24  10.486  13.736  26.771
  178    HE2  PHE  24           HE2      PHE  24  10.282  17.977  27.147
  179    HZ   PHE  24           HZ       PHE  24  11.447  15.852  27.584
  180    H    LEU  25           H        LEU  25   4.023  17.139  24.504
  181    HA   LEU  25           HA       LEU  25   4.327  19.474  26.073
  182    HB2  LEU  25           HB2      LEU  25   2.939  18.683  23.703
  183    HB3  LEU  25           HB3      LEU  25   1.833  19.564  24.755
  184    HG   LEU  25           HG       LEU  25   4.277  21.014  24.626
  185   HD11  LEU  25          HD11      LEU  25   3.131  20.523  21.892
  186   HD12  LEU  25          HD12      LEU  25   4.546  19.664  22.501
  187   HD13  LEU  25          HD13      LEU  25   4.587  21.418  22.327
  188   HD21  LEU  25          HD21      LEU  25   2.759  22.701  23.553
  189   HD22  LEU  25          HD22      LEU  25   2.201  22.069  25.103
  190   HD23  LEU  25          HD23      LEU  25   1.485  21.482  23.601
  191    H    ILE  26           H        ILE  26   1.854  16.942  25.985
  192    HA   ILE  26           HA       ILE  26   0.115  18.113  27.872
  193    HB   ILE  26           HB       ILE  26   0.499  15.226  27.085
  194   HG12  ILE  26          HG12      ILE  26  -0.320  16.789  25.329
  195   HG13  ILE  26          HG13      ILE  26  -1.498  15.553  25.754
  196   HG21  ILE  26          HG21      ILE  26  -0.607  14.782  28.989
  197   HG22  ILE  26          HG22      ILE  26  -1.153  16.448  29.179
  198   HG23  ILE  26          HG23      ILE  26  -2.016  15.356  28.096
  199   HD11  ILE  26          HD11      ILE  26  -1.934  18.272  25.620
  200   HD12  ILE  26          HD12      ILE  26  -2.993  17.072  26.363
  201   HD13  ILE  26          HD13      ILE  26  -1.819  17.944  27.348
  202    H    LEU  27           H        LEU  27   2.724  15.732  28.218
  203    HA   LEU  27           HA       LEU  27   2.409  15.278  30.974
  204    HB2  LEU  27           HB2      LEU  27   4.345  14.651  28.909
  205    HB3  LEU  27           HB3      LEU  27   5.118  14.977  30.459
  206    HG   LEU  27           HG       LEU  27   3.772  13.221  31.502
  207   HD11  LEU  27          HD11      LEU  27   2.279  13.444  29.049
  208   HD12  LEU  27          HD12      LEU  27   1.849  12.639  30.558
  209   HD13  LEU  27          HD13      LEU  27   2.780  11.777  29.334
  210   HD21  LEU  27          HD21      LEU  27   5.956  12.661  30.562
  211   HD22  LEU  27          HD22      LEU  27   5.202  12.305  29.008
  212   HD23  LEU  27          HD23      LEU  27   4.832  11.310  30.418
  213    H    LEU  28           H        LEU  28   4.342  17.636  29.184
  214    HA   LEU  28           HA       LEU  28   5.708  18.707  31.410
  215    HB2  LEU  28           HB2      LEU  28   6.152  18.986  28.880
  216    HB3  LEU  28           HB3      LEU  28   4.996  20.312  28.983
  217    HG   LEU  28           HG       LEU  28   7.074  20.507  31.004
  218   HD11  LEU  28          HD11      LEU  28   8.519  19.445  29.444
  219   HD12  LEU  28          HD12      LEU  28   8.839  21.177  29.355
  220   HD13  LEU  28          HD13      LEU  28   7.874  20.393  28.104
  221   HD21  LEU  28          HD21      LEU  28   6.202  22.325  28.760
  222   HD22  LEU  28          HD22      LEU  28   7.213  22.778  30.132
  223   HD23  LEU  28          HD23      LEU  28   5.533  22.307  30.392
  224    H    LEU  29           H        LEU  29   2.662  19.564  29.837
  225    HA   LEU  29           HA       LEU  29   2.161  21.909  31.326
  226    HB2  LEU  29           HB2      LEU  29   0.784  20.271  29.397
  227    HB3  LEU  29           HB3      LEU  29  -0.315  20.775  30.680
  228    HG   LEU  29           HG       LEU  29   1.390  22.748  29.186
  229   HD11  LEU  29          HD11      LEU  29   0.233  22.004  27.374
  230   HD12  LEU  29          HD12      LEU  29  -0.960  23.125  28.029
  231   HD13  LEU  29          HD13      LEU  29  -1.112  21.396  28.339
  232   HD21  LEU  29          HD21      LEU  29  -0.079  24.364  30.041
  233   HD22  LEU  29          HD22      LEU  29   0.240  23.282  31.397
  234   HD23  LEU  29          HD23      LEU  29  -1.277  23.156  30.505
  235    H    VAL  30           H        VAL  30   1.028  18.563  31.753
  236    HA   VAL  30           HA       VAL  30  -0.464  19.056  34.099
  237    HB   VAL  30           HB       VAL  30  -0.772  17.040  32.717
  238   HG11  VAL  30          HG11      VAL  30   0.809  15.171  32.920
  239   HG12  VAL  30          HG12      VAL  30   1.552  16.584  32.169
  240   HG13  VAL  30          HG13      VAL  30   1.892  16.200  33.856
  241   HG21  VAL  30          HG21      VAL  30  -1.024  15.446  34.556
  242   HG22  VAL  30          HG22      VAL  30   0.002  16.454  35.575
  243   HG23  VAL  30          HG23      VAL  30  -1.561  17.058  35.027
  244    H    TYR  31           H        TYR  31   2.911  18.311  33.532
  245    HA   TYR  31           HA       TYR  31   3.552  17.708  36.244
  246    HB2  TYR  31           HB2      TYR  31   4.945  16.911  34.394
  247    HB3  TYR  31           HB3      TYR  31   5.339  18.570  33.959
  248    HD1  TYR  31           HD1      TYR  31   5.243  16.871  37.282
  249    HD2  TYR  31           HD2      TYR  31   7.604  18.860  34.354
  250    HE1  TYR  31           HE1      TYR  31   7.174  16.805  38.803
  251    HE2  TYR  31           HE2      TYR  31   9.542  18.799  35.867
  252    HH   TYR  31           HH       TYR  31   9.481  18.470  38.920
  253    H    ARG  32           H        ARG  32   3.848  20.608  34.227
  254    HA   ARG  32           HA       ARG  32   5.126  22.227  36.139
  255    HB2  ARG  32           HB2      ARG  32   4.680  22.583  33.574
  256    HB3  ARG  32           HB3      ARG  32   3.224  23.390  34.142
  257    HG2  ARG  32           HG2      ARG  32   4.951  24.648  35.693
  258    HG3  ARG  32           HG3      ARG  32   6.068  24.192  34.404
  259    HD2  ARG  32           HD2      ARG  32   3.459  25.408  33.654
  260    HD3  ARG  32           HD3      ARG  32   4.706  26.456  34.328
  261    HE   ARG  32           HE       ARG  32   5.986  25.046  32.375
  262   HH11  ARG  32          HH11      ARG  32   3.155  27.069  32.493
  263   HH12  ARG  32          HH12      ARG  32   3.320  27.619  30.859
  264   HH21  ARG  32          HH21      ARG  32   6.213  25.763  30.221
  265   HH22  ARG  32          HH22      ARG  32   5.059  26.875  29.567
  266    H    MET  33           H        MET  33   1.710  21.655  35.434
  267    HA   MET  33           HA       MET  33   0.674  23.612  37.185
  268    HB2  MET  33           HB2      MET  33  -0.354  21.529  35.490
  269    HB3  MET  33           HB3      MET  33  -1.174  21.484  37.045
  270    HG2  MET  33           HG2      MET  33  -0.885  24.163  35.902
  271    HG3  MET  33           HG3      MET  33  -1.879  23.059  34.954
  272    HE1  MET  33           HE1      MET  33  -4.709  23.365  35.568
  273    HE2  MET  33           HE2      MET  33  -4.731  24.892  36.450
  274    HE3  MET  33           HE3      MET  33  -3.614  24.668  35.103
  275    H    ARG  34           H        ARG  34   2.021  20.488  37.719
  276    HA   ARG  34           HA       ARG  34   0.783  19.658  40.048
  277    HB2  ARG  34           HB2      ARG  34   2.620  18.509  38.645
  278    HB3  ARG  34           HB3      ARG  34   3.752  19.400  39.653
  279    HG2  ARG  34           HG2      ARG  34   3.654  17.682  41.055
  280    HG3  ARG  34           HG3      ARG  34   2.035  18.246  41.478
  281    HD2  ARG  34           HD2      ARG  34   1.653  16.816  39.141
  282    HD3  ARG  34           HD3      ARG  34   2.862  15.877  40.015
  283    HE   ARG  34           HE       ARG  34   0.914  16.466  41.861
  284   HH11  ARG  34          HH11      ARG  34   1.060  14.825  38.794
  285   HH12  ARG  34          HH12      ARG  34  -0.240  13.741  39.164
  286   HH21  ARG  34          HH21      ARG  34  -0.798  15.044  42.361
  287   HH22  ARG  34          HH22      ARG  34  -1.297  13.867  41.193
  288    H    LYS  35           H        LYS  35   3.172  22.166  39.570
  289    HA   LYS  35           HA       LYS  35   4.078  22.536  42.168
  290    HB2  LYS  35           HB2      LYS  35   4.760  24.715  41.498
  291    HB3  LYS  35           HB3      LYS  35   4.909  23.685  40.080
  292    HG2  LYS  35           HG2      LYS  35   2.622  24.536  39.397
  293    HG3  LYS  35           HG3      LYS  35   2.810  25.749  40.665
  294    HD2  LYS  35           HD2      LYS  35   4.824  25.326  38.465
  295    HD3  LYS  35           HD3      LYS  35   3.494  26.481  38.353
  296    HE2  LYS  35           HE2      LYS  35   4.511  27.951  39.705
  297    HE3  LYS  35           HE3      LYS  35   5.035  26.697  40.827
  298    HZ1  LYS  35           HZ1      LYS  35   6.665  28.084  39.191
  299    HZ2  LYS  35           HZ2      LYS  35   6.420  26.668  38.300
  300    HZ3  LYS  35           HZ3      LYS  35   7.037  26.581  39.872
  Start of MODEL    2
    1    H1   MET   1           H        MET   1   0.269  -1.061   2.070
    2    HA   MET   1           HA       MET   1   0.243  -2.115  -0.473
    3    HB2  MET   1           HB2      MET   1  -1.164   0.041  -0.819
    4    HB3  MET   1           HB3      MET   1   0.385   0.871  -0.749
    5    HG2  MET   1           HG2      MET   1   0.394   0.543  -2.959
    6    HG3  MET   1           HG3      MET   1   0.945  -1.076  -2.533
    7    HE1  MET   1           HE1      MET   1  -0.497  -3.106  -2.326
    8    HE2  MET   1           HE2      MET   1  -1.760  -3.399  -3.522
    9    HE3  MET   1           HE3      MET   1  -0.130  -2.973  -4.046
   10    H    GLU   2           H        GLU   2   2.297  -2.467  -1.137
   11    HA   GLU   2           HA       GLU   2   4.429  -1.598   0.577
   12    HB2  GLU   2           HB2      GLU   2   4.163  -3.874  -0.625
   13    HB3  GLU   2           HB3      GLU   2   4.812  -3.041  -2.031
   14    HG2  GLU   2           HG2      GLU   2   6.242  -3.003   0.599
   15    HG3  GLU   2           HG3      GLU   2   6.427  -4.341  -0.533
   16    H    GLN   3           H        GLN   3   3.282  -0.818  -2.646
   17    HA   GLN   3           HA       GLN   3   5.491   0.598  -3.596
   18    HB2  GLN   3           HB2      GLN   3   2.907   0.049  -4.489
   19    HB3  GLN   3           HB3      GLN   3   2.977   1.805  -4.405
   20    HG2  GLN   3           HG2      GLN   3   5.278   1.401  -5.650
   21    HG3  GLN   3           HG3      GLN   3   4.457  -0.076  -6.151
   22   HE21  GLN   3          HE21      GLN   3   5.000   3.099  -6.895
   23   HE22  GLN   3          HE22      GLN   3   3.686   3.359  -7.986
   24    H    SER   4           H        SER   4   5.442   3.029  -4.021
   25    HA   SER   4           HA       SER   4   5.686   5.127  -3.176
   26    HB2  SER   4           HB2      SER   4   3.353   4.791  -1.350
   27    HB3  SER   4           HB3      SER   4   3.761   6.134  -2.417
   28    HG   SER   4           HG       SER   4   2.195   5.230  -3.543
   29    H    THR   5           H        THR   5   7.233   3.202  -1.937
   30    HA   THR   5           HA       THR   5   7.121   2.965   0.808
   31    HB   THR   5           HB       THR   5   9.842   3.281   0.291
   32    HG1  THR   5           HG1      THR   5   9.730   3.383  -1.877
   33   HG21  THR   5          HG21      THR   5   8.330   0.713  -0.125
   34   HG22  THR   5          HG22      THR   5   8.534   1.434   1.471
   35   HG23  THR   5          HG23      THR   5   9.947   0.939   0.540
   36    H    GLU   6           H        GLU   6   8.474   5.610  -1.117
   37    HA   GLU   6           HA       GLU   6   9.635   7.077   0.956
   38    HB2  GLU   6           HB2      GLU   6   9.999   7.547  -1.437
   39    HB3  GLU   6           HB3      GLU   6   8.345   8.127  -1.569
   40    HG2  GLU   6           HG2      GLU   6   9.386   9.605   0.514
   41    HG3  GLU   6           HG3      GLU   6  10.723   9.486  -0.628
   42    H    VAL   7           H        VAL   7   6.354   7.246  -0.393
   43    HA   VAL   7           HA       VAL   7   5.423   9.350   1.217
   44    HB   VAL   7           HB       VAL   7   3.821   7.071   0.046
   45   HG11  VAL   7          HG11      VAL   7   3.072   9.227   1.744
   46   HG12  VAL   7          HG12      VAL   7   2.374   9.503   0.147
   47   HG13  VAL   7          HG13      VAL   7   2.048   7.997   1.006
   48   HG21  VAL   7          HG21      VAL   7   4.741   9.694  -1.090
   49   HG22  VAL   7          HG22      VAL   7   4.929   8.075  -1.764
   50   HG23  VAL   7          HG23      VAL   7   3.339   8.838  -1.733
   51    H    LEU   8           H        LEU   8   5.306   5.835   1.676
   52    HA   LEU   8           HA       LEU   8   3.816   5.839   4.056
   53    HB2  LEU   8           HB2      LEU   8   5.306   3.943   2.478
   54    HB3  LEU   8           HB3      LEU   8   5.576   3.670   4.198
   55    HG   LEU   8           HG       LEU   8   3.766   2.277   3.322
   56   HD11  LEU   8          HD11      LEU   8   3.179   4.380   5.362
   57   HD12  LEU   8          HD12      LEU   8   3.486   2.657   5.582
   58   HD13  LEU   8          HD13      LEU   8   1.944   3.200   4.921
   59   HD21  LEU   8          HD21      LEU   8   2.284   4.853   2.817
   60   HD22  LEU   8          HD22      LEU   8   1.716   3.212   2.507
   61   HD23  LEU   8          HD23      LEU   8   3.044   3.880   1.557
   62    H    ALA   9           H        ALA   9   7.312   5.936   3.485
   63    HA   ALA   9           HA       ALA   9   8.130   5.779   6.165
   64    HB1  ALA   9           HB1      ALA   9   9.543   5.564   4.053
   65    HB2  ALA   9           HB2      ALA   9   9.615   7.326   4.064
   66    HB3  ALA   9           HB3      ALA   9  10.262   6.409   5.424
   67    H    ALA  10           H        ALA  10   7.369   8.573   4.119
   68    HA   ALA  10           HA       ALA  10   8.081  10.567   5.971
   69    HB1  ALA  10           HB1      ALA  10   7.610  11.875   4.245
   70    HB2  ALA  10           HB2      ALA  10   7.000  10.468   3.373
   71    HB3  ALA  10           HB3      ALA  10   5.902  11.447   4.346
   72    H    VAL  11           H        VAL  11   4.966   8.996   5.304
   73    HA   VAL  11           HA       VAL  11   3.423  10.480   7.119
   74    HB   VAL  11           HB       VAL  11   3.005   7.622   6.232
   75   HG11  VAL  11          HG11      VAL  11   0.550   8.396   6.661
   76   HG12  VAL  11          HG12      VAL  11   1.551   7.847   8.007
   77   HG13  VAL  11          HG13      VAL  11   1.313   9.573   7.730
   78   HG21  VAL  11          HG21      VAL  11   2.477   8.424   4.231
   79   HG22  VAL  11          HG22      VAL  11   1.261   9.473   4.959
   80   HG23  VAL  11          HG23      VAL  11   2.917  10.046   4.764
   81    H    ILE  12           H        ILE  12   5.203   7.441   7.515
   82    HA   ILE  12           HA       ILE  12   4.377   6.878  10.140
   83    HB   ILE  12           HB       ILE  12   6.964   6.147   8.764
   84   HG12  ILE  12          HG12      ILE  12   4.708   4.247   9.241
   85   HG13  ILE  12          HG13      ILE  12   4.564   5.403   7.921
   86   HG21  ILE  12          HG21      ILE  12   6.984   4.288  10.466
   87   HG22  ILE  12          HG22      ILE  12   7.327   5.900  11.091
   88   HG23  ILE  12          HG23      ILE  12   5.736   5.181  11.334
   89   HD11  ILE  12          HD11      ILE  12   6.623   3.251   8.282
   90   HD12  ILE  12          HD12      ILE  12   5.437   3.430   6.988
   91   HD13  ILE  12          HD13      ILE  12   6.792   4.552   7.104
   92    H    ALA  13           H        ALA  13   7.249   8.592   8.934
   93    HA   ALA  13           HA       ALA  13   8.413   9.131  11.426
   94    HB1  ALA  13           HB1      ALA  13   8.850  11.239   9.476
   95    HB2  ALA  13           HB2      ALA  13   9.997  10.113  10.203
   96    HB3  ALA  13           HB3      ALA  13   9.059   9.627   8.790
   97    H    GLY  14           H        GLY  14   6.080  10.981   9.500
   98    HA2  GLY  14           HA2      GLY  14   6.016  13.265  11.158
   99    HA3  GLY  14           HA3      GLY  14   4.758  12.781  10.031
  100    H    GLY  15           H        GLY  15   4.156  10.259  11.215
  101    HA2  GLY  15           HA2      GLY  15   2.302  11.113  13.194
  102    HA3  GLY  15           HA3      GLY  15   2.627   9.449  12.731
  103    H    VAL  16           H        VAL  16   5.362   9.338  13.367
  104    HA   VAL  16           HA       VAL  16   5.224   8.763  16.132
  105    HB   VAL  16           HB       VAL  16   7.691   9.049  14.410
  106   HG11  VAL  16          HG11      VAL  16   7.235   7.704  17.070
  107   HG12  VAL  16          HG12      VAL  16   8.686   7.502  16.086
  108   HG13  VAL  16          HG13      VAL  16   8.276   9.089  16.738
  109   HG21  VAL  16          HG21      VAL  16   7.043   7.199  13.368
  110   HG22  VAL  16          HG22      VAL  16   7.057   6.344  14.910
  111   HG23  VAL  16          HG23      VAL  16   5.579   7.126  14.349
  112    H    ILE  17           H        ILE  17   6.806  11.373  14.316
  113    HA   ILE  17           HA       ILE  17   7.974  12.650  16.540
  114    HB   ILE  17           HB       ILE  17   7.126  13.857  13.904
  115   HG12  ILE  17          HG12      ILE  17   9.918  13.062  14.684
  116   HG13  ILE  17          HG13      ILE  17   8.811  11.886  13.983
  117   HG21  ILE  17          HG21      ILE  17   9.268  15.298  14.785
  118   HG22  ILE  17          HG22      ILE  17   7.582  15.784  14.951
  119   HG23  ILE  17          HG23      ILE  17   8.401  14.976  16.287
  120   HD11  ILE  17          HD11      ILE  17   9.519  12.574  12.002
  121   HD12  ILE  17          HD12      ILE  17   8.645  14.078  12.298
  122   HD13  ILE  17          HD13      ILE  17  10.356  13.957  12.707
  123    H    GLY  18           H        GLY  18   4.889  13.189  14.861
  124    HA2  GLY  18           HA2      GLY  18   4.069  15.414  16.385
  125    HA3  GLY  18           HA3      GLY  18   3.006  14.345  15.482
  126    H    PHE  19           H        PHE  19   3.488  11.944  16.823
  127    HA   PHE  19           HA       PHE  19   1.734  12.197  19.016
  128    HB2  PHE  19           HB2      PHE  19   3.251  10.023  17.724
  129    HB3  PHE  19           HB3      PHE  19   2.887   9.765  19.427
  130    HD1  PHE  19           HD1      PHE  19   1.795   8.953  16.329
  131    HD2  PHE  19           HD2      PHE  19   0.306  10.667  19.929
  132    HE1  PHE  19           HE1      PHE  19  -0.480   8.234  15.727
  133    HE2  PHE  19           HE2      PHE  19  -1.970   9.950  19.334
  134    HZ   PHE  19           HZ       PHE  19  -2.366   8.731  17.230
  135    H    LEU  20           H        LEU  20   5.244  11.792  18.818
  136    HA   LEU  20           HA       LEU  20   5.711  11.541  21.587
  137    HB2  LEU  20           HB2      LEU  20   7.251  11.689  19.197
  138    HB3  LEU  20           HB3      LEU  20   7.925  12.824  20.365
  139    HG   LEU  20           HG       LEU  20   7.365  10.069  21.313
  140   HD11  LEU  20          HD11      LEU  20   9.942   9.885  20.364
  141   HD12  LEU  20          HD12      LEU  20   9.074  10.654  19.035
  142   HD13  LEU  20          HD13      LEU  20   8.520   9.104  19.670
  143   HD21  LEU  20          HD21      LEU  20   8.408  12.147  22.539
  144   HD22  LEU  20          HD22      LEU  20   9.883  11.602  21.740
  145   HD23  LEU  20          HD23      LEU  20   9.020  10.519  22.832
  146    H    PHE  21           H        PHE  21   5.538  14.338  19.446
  147    HA   PHE  21           HA       PHE  21   6.409  16.245  21.354
  148    HB2  PHE  21           HB2      PHE  21   5.905  16.299  18.664
  149    HB3  PHE  21           HB3      PHE  21   4.539  17.209  19.300
  150    HD1  PHE  21           HD1      PHE  21   8.233  16.987  19.790
  151    HD2  PHE  21           HD2      PHE  21   4.794  19.477  19.482
  152    HE1  PHE  21           HE1      PHE  21   9.662  18.980  19.991
  153    HE2  PHE  21           HE2      PHE  21   6.218  21.473  19.680
  154    HZ   PHE  21           HZ       PHE  21   8.655  21.227  19.934
  155    H    ALA  22           H        ALA  22   3.211  15.108  20.352
  156    HA   ALA  22           HA       ALA  22   1.690  16.905  21.890
  157    HB1  ALA  22           HB1      ALA  22   0.076  14.741  21.765
  158    HB2  ALA  22           HB2      ALA  22   0.285  15.897  20.449
  159    HB3  ALA  22           HB3      ALA  22   1.198  14.388  20.450
  160    H    ILE  23           H        ILE  23   2.926  13.661  22.616
  161    HA   ILE  23           HA       ILE  23   1.724  13.442  25.166
  162    HB   ILE  23           HB       ILE  23   4.206  12.081  24.114
  163   HG12  ILE  23          HG12      ILE  23   1.483  10.838  24.341
  164   HG13  ILE  23          HG13      ILE  23   1.895  11.813  22.935
  165   HG21  ILE  23          HG21      ILE  23   2.829  11.975  26.686
  166   HG22  ILE  23          HG22      ILE  23   3.066  10.395  25.941
  167   HG23  ILE  23          HG23      ILE  23   4.451  11.443  26.244
  168   HD11  ILE  23          HD11      ILE  23   2.843   9.138  23.736
  169   HD12  ILE  23          HD12      ILE  23   2.514   9.800  22.134
  170   HD13  ILE  23          HD13      ILE  23   4.017  10.203  22.963
  171    H    PHE  24           H        PHE  24   4.822  14.711  24.069
  172    HA   PHE  24           HA       PHE  24   5.968  15.040  26.638
  173    HB2  PHE  24           HB2      PHE  24   7.027  15.132  24.217
  174    HB3  PHE  24           HB3      PHE  24   6.703  16.854  24.380
  175    HD1  PHE  24           HD1      PHE  24   8.492  18.102  25.058
  176    HD2  PHE  24           HD2      PHE  24   8.081  14.131  26.534
  177    HE1  PHE  24           HE1      PHE  24  10.570  18.370  26.349
  178    HE2  PHE  24           HE2      PHE  24  10.158  14.393  27.828
  179    HZ   PHE  24           HZ       PHE  24  11.405  16.515  27.737
  180    H    LEU  25           H        LEU  25   4.060  17.154  24.551
  181    HA   LEU  25           HA       LEU  25   4.305  19.480  26.148
  182    HB2  LEU  25           HB2      LEU  25   2.827  18.634  23.797
  183    HB3  LEU  25           HB3      LEU  25   1.869  19.682  24.842
  184    HG   LEU  25           HG       LEU  25   3.517  21.439  24.661
  185   HD11  LEU  25          HD11      LEU  25   5.118  19.304  23.330
  186   HD12  LEU  25          HD12      LEU  25   5.605  20.488  24.542
  187   HD13  LEU  25          HD13      LEU  25   5.363  20.989  22.869
  188   HD21  LEU  25          HD21      LEU  25   3.246  20.553  21.834
  189   HD22  LEU  25          HD22      LEU  25   2.947  22.133  22.559
  190   HD23  LEU  25          HD23      LEU  25   1.779  20.828  22.774
  191    H    ILE  26           H        ILE  26   1.892  16.894  26.008
  192    HA   ILE  26           HA       ILE  26   0.092  18.013  27.868
  193    HB   ILE  26           HB       ILE  26   0.561  15.106  27.194
  194   HG12  ILE  26          HG12      ILE  26  -1.748  16.725  26.202
  195   HG13  ILE  26          HG13      ILE  26  -0.184  16.914  25.416
  196   HG21  ILE  26          HG21      ILE  26  -1.459  16.495  28.885
  197   HG22  ILE  26          HG22      ILE  26  -1.953  15.084  27.951
  198   HG23  ILE  26          HG23      ILE  26  -0.652  14.947  29.134
  199   HD11  ILE  26          HD11      ILE  26  -1.093  15.281  24.123
  200   HD12  ILE  26          HD12      ILE  26  -0.294  14.285  25.341
  201   HD13  ILE  26          HD13      ILE  26  -2.027  14.592  25.450
  202    H    LEU  27           H        LEU  27   2.762  15.706  28.258
  203    HA   LEU  27           HA       LEU  27   2.413  15.247  31.010
  204    HB2  LEU  27           HB2      LEU  27   4.714  14.968  29.121
  205    HB3  LEU  27           HB3      LEU  27   4.955  14.724  30.850
  206    HG   LEU  27           HG       LEU  27   2.959  13.176  29.206
  207   HD11  LEU  27          HD11      LEU  27   4.740  11.333  29.593
  208   HD12  LEU  27          HD12      LEU  27   5.854  12.689  29.769
  209   HD13  LEU  27          HD13      LEU  27   4.952  12.478  28.268
  210   HD21  LEU  27          HD21      LEU  27   3.279  11.597  31.194
  211   HD22  LEU  27          HD22      LEU  27   2.325  13.058  31.454
  212   HD23  LEU  27          HD23      LEU  27   3.996  12.984  32.015
  213    H    LEU  28           H        LEU  28   4.347  17.631  29.250
  214    HA   LEU  28           HA       LEU  28   5.648  18.744  31.484
  215    HB2  LEU  28           HB2      LEU  28   5.379  19.309  28.675
  216    HB3  LEU  28           HB3      LEU  28   5.289  20.798  29.614
  217    HG   LEU  28           HG       LEU  28   7.526  18.874  30.098
  218   HD11  LEU  28          HD11      LEU  28   8.856  19.922  28.384
  219   HD12  LEU  28          HD12      LEU  28   7.508  20.961  27.924
  220   HD13  LEU  28          HD13      LEU  28   7.411  19.221  27.656
  221   HD21  LEU  28          HD21      LEU  28   7.269  20.726  31.629
  222   HD22  LEU  28          HD22      LEU  28   7.227  21.870  30.287
  223   HD23  LEU  28          HD23      LEU  28   8.706  20.972  30.636
  224    H    LEU  29           H        LEU  29   2.610  19.573  29.866
  225    HA   LEU  29           HA       LEU  29   2.037  21.872  31.396
  226    HB2  LEU  29           HB2      LEU  29   0.968  20.925  29.203
  227    HB3  LEU  29           HB3      LEU  29  -0.127  20.117  30.323
  228    HG   LEU  29           HG       LEU  29   0.293  23.102  30.249
  229   HD11  LEU  29          HD11      LEU  29  -1.288  21.354  28.532
  230   HD12  LEU  29          HD12      LEU  29  -0.841  23.047  28.327
  231   HD13  LEU  29          HD13      LEU  29  -2.237  22.617  29.316
  232   HD21  LEU  29          HD21      LEU  29  -2.040  22.885  31.374
  233   HD22  LEU  29          HD22      LEU  29  -0.582  22.623  32.331
  234   HD23  LEU  29          HD23      LEU  29  -1.510  21.243  31.741
  235    H    VAL  30           H        VAL  30   1.115  18.471  31.787
  236    HA   VAL  30           HA       VAL  30  -0.559  18.806  34.018
  237    HB   VAL  30           HB       VAL  30   1.117  16.406  33.269
  238   HG11  VAL  30          HG11      VAL  30  -0.871  16.898  35.404
  239   HG12  VAL  30          HG12      VAL  30  -0.986  15.361  34.545
  240   HG13  VAL  30          HG13      VAL  30   0.510  15.803  35.369
  241   HG21  VAL  30          HG21      VAL  30  -0.955  17.563  31.863
  242   HG22  VAL  30          HG22      VAL  30  -0.395  15.898  31.706
  243   HG23  VAL  30          HG23      VAL  30  -1.745  16.277  32.776
  244    H    TYR  31           H        TYR  31   2.911  18.102  33.792
  245    HA   TYR  31           HA       TYR  31   3.337  17.892  36.584
  246    HB2  TYR  31           HB2      TYR  31   4.937  17.808  34.173
  247    HB3  TYR  31           HB3      TYR  31   5.751  18.726  35.435
  248    HD1  TYR  31           HD1      TYR  31   5.620  17.536  37.841
  249    HD2  TYR  31           HD2      TYR  31   5.358  15.546  34.090
  250    HE1  TYR  31           HE1      TYR  31   6.337  15.440  38.910
  251    HE2  TYR  31           HE2      TYR  31   6.074  13.444  35.148
  252    HH   TYR  31           HH       TYR  31   6.998  12.547  37.018
  253    H    ARG  32           H        ARG  32   3.605  20.564  34.288
  254    HA   ARG  32           HA       ARG  32   4.772  22.449  35.998
  255    HB2  ARG  32           HB2      ARG  32   4.620  22.794  33.588
  256    HB3  ARG  32           HB3      ARG  32   2.866  22.874  33.690
  257    HG2  ARG  32           HG2      ARG  32   3.697  25.093  33.484
  258    HG3  ARG  32           HG3      ARG  32   3.110  24.886  35.136
  259    HD2  ARG  32           HD2      ARG  32   5.130  25.944  35.484
  260    HD3  ARG  32           HD3      ARG  32   5.580  24.247  35.644
  261    HE   ARG  32           HE       ARG  32   6.924  24.496  33.821
  262   HH11  ARG  32          HH11      ARG  32   4.539  27.031  33.793
  263   HH12  ARG  32          HH12      ARG  32   5.223  27.838  32.421
  264   HH21  ARG  32          HH21      ARG  32   7.835  25.549  32.015
  265   HH22  ARG  32          HH22      ARG  32   7.097  26.994  31.410
  266    H    MET  33           H        MET  33   1.389  21.587  35.454
  267    HA   MET  33           HA       MET  33   0.255  23.647  37.013
  268    HB2  MET  33           HB2      MET  33  -0.734  21.685  35.389
  269    HB3  MET  33           HB3      MET  33  -1.199  21.089  36.977
  270    HG2  MET  33           HG2      MET  33  -1.777  23.893  36.749
  271    HG3  MET  33           HG3      MET  33  -2.506  22.998  35.418
  272    HE1  MET  33           HE1      MET  33  -3.546  20.837  35.702
  273    HE2  MET  33           HE2      MET  33  -4.413  20.239  37.116
  274    HE3  MET  33           HE3      MET  33  -5.136  21.489  36.103
  275    H    ARG  34           H        ARG  34   1.841  20.708  37.850
  276    HA   ARG  34           HA       ARG  34   0.682  20.307  40.407
  277    HB2  ARG  34           HB2      ARG  34   2.340  18.848  38.831
  278    HB3  ARG  34           HB3      ARG  34   3.484  19.461  40.018
  279    HG2  ARG  34           HG2      ARG  34   1.452  18.614  41.614
  280    HG3  ARG  34           HG3      ARG  34   1.382  17.447  40.291
  281    HD2  ARG  34           HD2      ARG  34   2.944  16.383  41.528
  282    HD3  ARG  34           HD3      ARG  34   4.033  17.501  40.708
  283    HE   ARG  34           HE       ARG  34   4.453  18.470  42.726
  284   HH11  ARG  34          HH11      ARG  34   1.416  16.779  42.923
  285   HH12  ARG  34          HH12      ARG  34   1.207  17.083  44.616
  286   HH21  ARG  34          HH21      ARG  34   4.190  18.877  44.954
  287   HH22  ARG  34          HH22      ARG  34   2.785  18.277  45.770
  288    H    LYS  35           H        LYS  35   3.317  22.276  39.221
  289    HA   LYS  35           HA       LYS  35   4.512  22.862  41.717
  290    HB2  LYS  35           HB2      LYS  35   5.075  23.425  39.071
  291    HB3  LYS  35           HB3      LYS  35   4.678  25.004  39.734
  292    HG2  LYS  35           HG2      LYS  35   6.878  25.009  40.221
  293    HG3  LYS  35           HG3      LYS  35   6.323  24.141  41.654
  294    HD2  LYS  35           HD2      LYS  35   7.188  22.159  40.955
  295    HD3  LYS  35           HD3      LYS  35   6.909  22.516  39.249
  296    HE2  LYS  35           HE2      LYS  35   8.914  24.189  40.631
  297    HE3  LYS  35           HE3      LYS  35   9.345  22.497  40.388
  298    HZ1  LYS  35           HZ1      LYS  35   8.716  22.849  37.997
  299    HZ2  LYS  35           HZ2      LYS  35  10.109  23.661  38.507
  300    HZ3  LYS  35           HZ3      LYS  35   8.656  24.508  38.324
  Start of MODEL    3
    1    H1   MET   1           H        MET   1  -0.248   2.857   3.942
    2    HA   MET   1           HA       MET   1  -1.644   2.507   1.397
    3    HB2  MET   1           HB2      MET   1   0.421   4.519   1.964
    4    HB3  MET   1           HB3      MET   1   0.741   3.540   0.539
    5    HG2  MET   1           HG2      MET   1  -1.833   4.148   0.100
    6    HG3  MET   1           HG3      MET   1  -1.341   5.565   1.025
    7    HE1  MET   1           HE1      MET   1  -0.749   7.723  -1.580
    8    HE2  MET   1           HE2      MET   1  -0.992   7.359   0.129
    9    HE3  MET   1           HE3      MET   1   0.640   7.593  -0.501
   10    H    GLU   2           H        GLU   2  -0.231   1.351  -0.216
   11    HA   GLU   2           HA       GLU   2   1.452  -0.612   1.197
   12    HB2  GLU   2           HB2      GLU   2  -0.175  -0.955  -1.328
   13    HB3  GLU   2           HB3      GLU   2   0.860  -2.186  -0.619
   14    HG2  GLU   2           HG2      GLU   2  -0.972  -1.195   1.349
   15    HG3  GLU   2           HG3      GLU   2  -1.845  -1.705  -0.095
   16    H    GLN   3           H        GLN   3   1.162   1.446  -1.630
   17    HA   GLN   3           HA       GLN   3   3.857   0.684  -2.496
   18    HB2  GLN   3           HB2      GLN   3   1.525   1.216  -3.919
   19    HB3  GLN   3           HB3      GLN   3   2.511   2.652  -4.158
   20    HG2  GLN   3           HG2      GLN   3   3.081   1.268  -5.933
   21    HG3  GLN   3           HG3      GLN   3   4.391   1.040  -4.775
   22   HE21  GLN   3          HE21      GLN   3   4.570  -0.907  -3.677
   23   HE22  GLN   3          HE22      GLN   3   3.729  -2.330  -4.179
   24    H    SER   4           H        SER   4   4.731   2.910  -3.758
   25    HA   SER   4           HA       SER   4   5.968   4.781  -3.349
   26    HB2  SER   4           HB2      SER   4   3.759   5.807  -1.598
   27    HB3  SER   4           HB3      SER   4   4.740   6.675  -2.779
   28    HG   SER   4           HG       SER   4   2.512   5.021  -3.180
   29    H    THR   5           H        THR   5   7.343   3.323  -2.011
   30    HA   THR   5           HA       THR   5   7.213   3.034   0.728
   31    HB   THR   5           HB       THR   5   9.867   3.538  -0.576
   32    HG1  THR   5           HG1      THR   5   8.088   1.376  -1.048
   33   HG21  THR   5          HG21      THR   5  10.646   1.858   0.911
   34   HG22  THR   5          HG22      THR   5   9.005   1.347   1.304
   35   HG23  THR   5          HG23      THR   5   9.598   2.912   1.860
   36    H    GLU   6           H        GLU   6   8.560   5.725  -1.137
   37    HA   GLU   6           HA       GLU   6   9.692   7.162   0.972
   38    HB2  GLU   6           HB2      GLU   6   9.504   7.523  -1.723
   39    HB3  GLU   6           HB3      GLU   6   8.421   8.778  -1.138
   40    HG2  GLU   6           HG2      GLU   6  10.093  10.034  -0.352
   41    HG3  GLU   6           HG3      GLU   6  10.977   8.645   0.276
   42    H    VAL   7           H        VAL   7   6.421   7.331  -0.402
   43    HA   VAL   7           HA       VAL   7   5.460   9.398   1.238
   44    HB   VAL   7           HB       VAL   7   3.884   7.126   0.020
   45   HG11  VAL   7          HG11      VAL   7   3.138   9.462   1.597
   46   HG12  VAL   7          HG12      VAL   7   2.281   9.354   0.058
   47   HG13  VAL   7          HG13      VAL   7   2.209   8.015   1.205
   48   HG21  VAL   7          HG21      VAL   7   5.297   8.468  -1.567
   49   HG22  VAL   7          HG22      VAL   7   3.565   8.500  -1.897
   50   HG23  VAL   7          HG23      VAL   7   4.339   9.878  -1.115
   51    H    LEU   8           H        LEU   8   5.368   5.874   1.635
   52    HA   LEU   8           HA       LEU   8   3.860   5.824   4.003
   53    HB2  LEU   8           HB2      LEU   8   5.536   3.965   2.486
   54    HB3  LEU   8           HB3      LEU   8   5.495   3.642   4.219
   55    HG   LEU   8           HG       LEU   8   3.069   3.823   2.433
   56   HD11  LEU   8          HD11      LEU   8   3.233   1.642   2.003
   57   HD12  LEU   8          HD12      LEU   8   3.686   1.259   3.663
   58   HD13  LEU   8          HD13      LEU   8   4.915   1.787   2.514
   59   HD21  LEU   8          HD21      LEU   8   3.426   3.095   5.334
   60   HD22  LEU   8          HD22      LEU   8   1.957   2.775   4.412
   61   HD23  LEU   8          HD23      LEU   8   2.495   4.436   4.667
   62    H    ALA   9           H        ALA   9   7.360   5.955   3.465
   63    HA   ALA   9           HA       ALA   9   8.156   5.762   6.148
   64    HB1  ALA   9           HB1      ALA   9  10.267   6.818   5.377
   65    HB2  ALA   9           HB2      ALA   9   9.753   5.456   4.380
   66    HB3  ALA   9           HB3      ALA   9   9.506   7.107   3.812
   67    H    ALA  10           H        ALA  10   7.388   8.584   4.144
   68    HA   ALA  10           HA       ALA  10   8.064  10.550   6.041
   69    HB1  ALA  10           HB1      ALA  10   7.434  11.998   4.456
   70    HB2  ALA  10           HB2      ALA  10   7.244  10.572   3.435
   71    HB3  ALA  10           HB3      ALA  10   5.847  11.251   4.271
   72    H    VAL  11           H        VAL  11   5.003   8.903   5.345
   73    HA   VAL  11           HA       VAL  11   3.397  10.361   7.133
   74    HB   VAL  11           HB       VAL  11   3.070   7.500   6.218
   75   HG11  VAL  11          HG11      VAL  11   1.662   7.727   8.072
   76   HG12  VAL  11          HG12      VAL  11   1.240   9.391   7.662
   77   HG13  VAL  11          HG13      VAL  11   0.616   8.056   6.692
   78   HG21  VAL  11          HG21      VAL  11   1.287   9.413   5.020
   79   HG22  VAL  11          HG22      VAL  11   2.966   9.880   4.749
   80   HG23  VAL  11          HG23      VAL  11   2.402   8.286   4.247
   81    H    ILE  12           H        ILE  12   5.233   7.356   7.551
   82    HA   ILE  12           HA       ILE  12   4.393   6.799  10.177
   83    HB   ILE  12           HB       ILE  12   6.932   6.050   8.730
   84   HG12  ILE  12          HG12      ILE  12   4.789   5.147   7.841
   85   HG13  ILE  12          HG13      ILE  12   5.867   3.893   8.445
   86   HG21  ILE  12          HG21      ILE  12   6.987   4.240  10.569
   87   HG22  ILE  12          HG22      ILE  12   7.575   5.857  10.952
   88   HG23  ILE  12          HG23      ILE  12   5.968   5.356  11.478
   89   HD11  ILE  12          HD11      ILE  12   4.099   4.801  10.521
   90   HD12  ILE  12          HD12      ILE  12   3.195   4.280   9.099
   91   HD13  ILE  12          HD13      ILE  12   4.336   3.180   9.871
   92    H    ALA  13           H        ALA  13   7.261   8.517   8.965
   93    HA   ALA  13           HA       ALA  13   8.418   9.075  11.456
   94    HB1  ALA  13           HB1      ALA  13   9.549  10.963  10.210
   95    HB2  ALA  13           HB2      ALA  13   9.761   9.349   9.531
   96    HB3  ALA  13           HB3      ALA  13   8.613  10.470   8.799
   97    H    GLY  14           H        GLY  14   6.084  10.906   9.512
   98    HA2  GLY  14           HA2      GLY  14   6.009  13.199  11.158
   99    HA3  GLY  14           HA3      GLY  14   4.756  12.706  10.028
  100    H    GLY  15           H        GLY  15   4.156  10.189  11.223
  101    HA2  GLY  15           HA2      GLY  15   2.292  11.048  13.190
  102    HA3  GLY  15           HA3      GLY  15   2.624   9.382  12.737
  103    H    VAL  16           H        VAL  16   5.356   9.282  13.385
  104    HA   VAL  16           HA       VAL  16   5.209   8.724  16.153
  105    HB   VAL  16           HB       VAL  16   7.691   9.013  14.455
  106   HG11  VAL  16          HG11      VAL  16   8.669   8.810  16.469
  107   HG12  VAL  16          HG12      VAL  16   7.200   8.202  17.234
  108   HG13  VAL  16          HG13      VAL  16   8.232   7.109  16.311
  109   HG21  VAL  16          HG21      VAL  16   5.580   7.128  14.288
  110   HG22  VAL  16          HG22      VAL  16   7.108   7.143  13.408
  111   HG23  VAL  16          HG23      VAL  16   6.989   6.303  14.954
  112    H    ILE  17           H        ILE  17   6.791  11.327  14.328
  113    HA   ILE  17           HA       ILE  17   7.947  12.619  16.549
  114    HB   ILE  17           HB       ILE  17   7.107  13.809  13.903
  115   HG12  ILE  17          HG12      ILE  17   9.899  13.027  14.697
  116   HG13  ILE  17          HG13      ILE  17   8.798  11.842  14.002
  117   HG21  ILE  17          HG21      ILE  17   8.810  14.859  16.142
  118   HG22  ILE  17          HG22      ILE  17   8.939  15.472  14.495
  119   HG23  ILE  17          HG23      ILE  17   7.416  15.616  15.372
  120   HD11  ILE  17          HD11      ILE  17  10.012  14.260  12.748
  121   HD12  ILE  17          HD12      ILE  17   9.957  12.596  12.163
  122   HD13  ILE  17          HD13      ILE  17   8.504  13.594  12.121
  123    H    GLY  18           H        GLY  18   4.868  13.141  14.855
  124    HA2  GLY  18           HA2      GLY  18   4.035  15.372  16.362
  125    HA3  GLY  18           HA3      GLY  18   2.979  14.295  15.462
  126    H    PHE  19           H        PHE  19   3.462  11.904  16.820
  127    HA   PHE  19           HA       PHE  19   1.700  12.167  19.005
  128    HB2  PHE  19           HB2      PHE  19   3.206   9.993  17.714
  129    HB3  PHE  19           HB3      PHE  19   2.885   9.740  19.426
  130    HD1  PHE  19           HD1      PHE  19   0.915   8.727  20.028
  131    HD2  PHE  19           HD2      PHE  19   1.121  10.802  16.317
  132    HE1  PHE  19           HE1      PHE  19  -1.369   7.986  19.490
  133    HE2  PHE  19           HE2      PHE  19  -1.163  10.066  15.774
  134    HZ   PHE  19           HZ       PHE  19  -2.411   8.657  17.362
  135    H    LEU  20           H        LEU  20   5.211  11.762  18.825
  136    HA   LEU  20           HA       LEU  20   5.669  11.533  21.596
  137    HB2  LEU  20           HB2      LEU  20   7.415  12.436  19.321
  138    HB3  LEU  20           HB3      LEU  20   8.002  12.307  20.978
  139    HG   LEU  20           HG       LEU  20   6.870  10.000  19.401
  140   HD11  LEU  20          HD11      LEU  20   9.667   9.785  19.927
  141   HD12  LEU  20          HD12      LEU  20   9.350  11.293  19.070
  142   HD13  LEU  20          HD13      LEU  20   8.820   9.759  18.380
  143   HD21  LEU  20          HD21      LEU  20   7.909   8.650  21.157
  144   HD22  LEU  20          HD22      LEU  20   6.698   9.749  21.818
  145   HD23  LEU  20          HD23      LEU  20   8.414  10.121  21.990
  146    H    PHE  21           H        PHE  21   5.488  14.316  19.438
  147    HA   PHE  21           HA       PHE  21   6.350  16.238  21.335
  148    HB2  PHE  21           HB2      PHE  21   5.784  16.256  18.632
  149    HB3  PHE  21           HB3      PHE  21   4.489  17.236  19.311
  150    HD1  PHE  21           HD1      PHE  21   7.425  17.571  17.732
  151    HD2  PHE  21           HD2      PHE  21   5.622  18.752  21.402
  152    HE1  PHE  21           HE1      PHE  21   8.956  19.492  17.862
  153    HE2  PHE  21           HE2      PHE  21   7.149  20.676  21.537
  154    HZ   PHE  21           HZ       PHE  21   8.819  21.049  19.766
  155    H    ALA  22           H        ALA  22   3.159  15.075  20.344
  156    HA   ALA  22           HA       ALA  22   1.625  16.876  21.861
  157    HB1  ALA  22           HB1      ALA  22   0.226  15.840  20.436
  158    HB2  ALA  22           HB2      ALA  22   1.153  14.339  20.451
  159    HB3  ALA  22           HB3      ALA  22   0.031  14.696  21.763
  160    H    ILE  23           H        ILE  23   2.865  13.640  22.624
  161    HA   ILE  23           HA       ILE  23   1.675  13.459  25.183
  162    HB   ILE  23           HB       ILE  23   4.110  12.068  24.064
  163   HG12  ILE  23          HG12      ILE  23   1.952  11.616  22.916
  164   HG13  ILE  23          HG13      ILE  23   2.614  10.191  23.711
  165   HG21  ILE  23          HG21      ILE  23   3.314  10.412  25.989
  166   HG22  ILE  23          HG22      ILE  23   4.490  11.695  26.271
  167   HG23  ILE  23          HG23      ILE  23   2.801  11.934  26.718
  168   HD11  ILE  23          HD11      ILE  23   1.066  10.505  25.565
  169   HD12  ILE  23          HD12      ILE  23   0.407  11.937  24.774
  170   HD13  ILE  23          HD13      ILE  23   0.214  10.351  24.029
  171    H    PHE  24           H        PHE  24   4.760  14.722  24.051
  172    HA   PHE  24           HA       PHE  24   5.930  15.073  26.607
  173    HB2  PHE  24           HB2      PHE  24   7.066  15.084  24.291
  174    HB3  PHE  24           HB3      PHE  24   6.577  16.773  24.209
  175    HD1  PHE  24           HD1      PHE  24   8.240  14.452  26.614
  176    HD2  PHE  24           HD2      PHE  24   8.119  18.332  24.867
  177    HE1  PHE  24           HE1      PHE  24  10.243  15.088  27.895
  178    HE2  PHE  24           HE2      PHE  24  10.122  18.973  26.144
  179    HZ   PHE  24           HZ       PHE  24  11.187  17.350  27.660
  180    H    LEU  25           H        LEU  25   3.988  17.160  24.525
  181    HA   LEU  25           HA       LEU  25   4.245  19.503  26.094
  182    HB2  LEU  25           HB2      LEU  25   3.197  18.916  23.651
  183    HB3  LEU  25           HB3      LEU  25   1.738  19.171  24.606
  184    HG   LEU  25           HG       LEU  25   3.872  21.234  24.757
  185   HD11  LEU  25          HD11      LEU  25   3.626  20.616  22.334
  186   HD12  LEU  25          HD12      LEU  25   3.240  22.290  22.731
  187   HD13  LEU  25          HD13      LEU  25   1.943  21.129  22.451
  188   HD21  LEU  25          HD21      LEU  25   1.018  21.866  24.357
  189   HD22  LEU  25          HD22      LEU  25   2.194  22.567  25.469
  190   HD23  LEU  25          HD23      LEU  25   1.428  21.024  25.852
  191    H    ILE  26           H        ILE  26   1.829  16.915  26.006
  192    HA   ILE  26           HA       ILE  26   0.063  18.047  27.891
  193    HB   ILE  26           HB       ILE  26   0.516  15.169  27.107
  194   HG12  ILE  26          HG12      ILE  26  -0.342  16.711  25.351
  195   HG13  ILE  26          HG13      ILE  26  -1.489  15.446  25.777
  196   HG21  ILE  26          HG21      ILE  26  -0.427  15.113  29.290
  197   HG22  ILE  26          HG22      ILE  26  -1.580  16.385  28.891
  198   HG23  ILE  26          HG23      ILE  26  -1.735  14.791  28.152
  199   HD11  ILE  26          HD11      ILE  26  -2.603  17.578  25.498
  200   HD12  ILE  26          HD12      ILE  26  -2.712  17.034  27.172
  201   HD13  ILE  26          HD13      ILE  26  -1.566  18.299  26.728
  202    H    LEU  27           H        LEU  27   2.731  15.733  28.241
  203    HA   LEU  27           HA       LEU  27   2.424  15.274  30.998
  204    HB2  LEU  27           HB2      LEU  27   4.045  14.310  29.017
  205    HB3  LEU  27           HB3      LEU  27   5.178  15.226  30.008
  206    HG   LEU  27           HG       LEU  27   3.647  13.657  31.780
  207   HD11  LEU  27          HD11      LEU  27   4.794  11.941  29.595
  208   HD12  LEU  27          HD12      LEU  27   3.083  12.359  29.688
  209   HD13  LEU  27          HD13      LEU  27   3.839  11.442  30.991
  210   HD21  LEU  27          HD21      LEU  27   5.952  12.427  31.861
  211   HD22  LEU  27          HD22      LEU  27   5.815  14.098  32.410
  212   HD23  LEU  27          HD23      LEU  27   6.467  13.746  30.809
  213    H    LEU  28           H        LEU  28   4.334  17.657  29.209
  214    HA   LEU  28           HA       LEU  28   5.669  18.768  31.424
  215    HB2  LEU  28           HB2      LEU  28   5.116  19.586  28.633
  216    HB3  LEU  28           HB3      LEU  28   5.576  20.858  29.762
  217    HG   LEU  28           HG       LEU  28   7.248  18.388  29.420
  218   HD11  LEU  28          HD11      LEU  28   7.139  19.200  27.211
  219   HD12  LEU  28          HD12      LEU  28   8.641  19.836  27.881
  220   HD13  LEU  28          HD13      LEU  28   7.227  20.880  27.740
  221   HD21  LEU  28          HD21      LEU  28   8.709  19.418  30.762
  222   HD22  LEU  28          HD22      LEU  28   7.356  20.458  31.210
  223   HD23  LEU  28          HD23      LEU  28   8.490  20.974  29.960
  224    H    LEU  29           H        LEU  29   2.611  19.602  29.848
  225    HA   LEU  29           HA       LEU  29   2.062  21.903  31.384
  226    HB2  LEU  29           HB2      LEU  29   0.948  20.846  29.212
  227    HB3  LEU  29           HB3      LEU  29  -0.177  20.215  30.412
  228    HG   LEU  29           HG       LEU  29  -0.133  22.821  31.117
  229   HD11  LEU  29          HD11      LEU  29   1.387  23.319  29.201
  230   HD12  LEU  29          HD12      LEU  29  -0.125  24.226  29.190
  231   HD13  LEU  29          HD13      LEU  29   0.082  22.845  28.114
  232   HD21  LEU  29          HD21      LEU  29  -1.891  21.828  28.892
  233   HD22  LEU  29          HD22      LEU  29  -2.287  22.961  30.185
  234   HD23  LEU  29          HD23      LEU  29  -2.052  21.250  30.550
  235    H    VAL  30           H        VAL  30   1.140  18.504  31.789
  236    HA   VAL  30           HA       VAL  30  -0.503  18.843  34.043
  237    HB   VAL  30           HB       VAL  30   1.157  16.439  33.271
  238   HG11  VAL  30          HG11      VAL  30  -0.560  16.971  35.543
  239   HG12  VAL  30          HG12      VAL  30  -1.114  15.583  34.605
  240   HG13  VAL  30          HG13      VAL  30   0.530  15.618  35.245
  241   HG21  VAL  30          HG21      VAL  30  -0.379  15.933  31.732
  242   HG22  VAL  30          HG22      VAL  30  -1.713  16.316  32.821
  243   HG23  VAL  30          HG23      VAL  30  -0.935  17.599  31.895
  244    H    TYR  31           H        TYR  31   2.962  18.131  33.769
  245    HA   TYR  31           HA       TYR  31   3.464  17.865  36.526
  246    HB2  TYR  31           HB2      TYR  31   5.026  17.084  34.792
  247    HB3  TYR  31           HB3      TYR  31   5.351  18.752  34.332
  248    HD1  TYR  31           HD1      TYR  31   7.052  19.957  35.390
  249    HD2  TYR  31           HD2      TYR  31   5.605  16.384  37.190
  250    HE1  TYR  31           HE1      TYR  31   8.865  20.066  37.049
  251    HE2  TYR  31           HE2      TYR  31   7.413  16.483  38.855
  252    HH   TYR  31           HH       TYR  31   9.103  19.070  39.583
  253    H    ARG  32           H        ARG  32   3.926  20.645  34.347
  254    HA   ARG  32           HA       ARG  32   4.850  22.457  36.254
  255    HB2  ARG  32           HB2      ARG  32   4.242  22.528  33.540
  256    HB3  ARG  32           HB3      ARG  32   3.152  23.710  34.252
  257    HG2  ARG  32           HG2      ARG  32   5.483  24.355  35.475
  258    HG3  ARG  32           HG3      ARG  32   6.060  23.790  33.906
  259    HD2  ARG  32           HD2      ARG  32   5.652  26.180  33.841
  260    HD3  ARG  32           HD3      ARG  32   4.510  25.337  32.796
  261    HE   ARG  32           HE       ARG  32   2.799  26.052  34.141
  262   HH11  ARG  32          HH11      ARG  32   5.829  26.519  35.789
  263   HH12  ARG  32          HH12      ARG  32   5.131  27.424  37.092
  264   HH21  ARG  32          HH21      ARG  32   1.867  27.241  35.850
  265   HH22  ARG  32          HH22      ARG  32   2.877  27.833  37.126
  266    H    MET  33           H        MET  33   1.551  21.642  35.278
  267    HA   MET  33           HA       MET  33   0.208  23.634  36.718
  268    HB2  MET  33           HB2      MET  33  -0.660  21.897  34.970
  269    HB3  MET  33           HB3      MET  33  -0.953  20.891  36.382
  270    HG2  MET  33           HG2      MET  33  -2.865  21.934  36.731
  271    HG3  MET  33           HG3      MET  33  -2.002  23.457  36.931
  272    HE1  MET  33           HE1      MET  33  -3.714  25.468  34.509
  273    HE2  MET  33           HE2      MET  33  -4.664  24.551  35.678
  274    HE3  MET  33           HE3      MET  33  -3.073  25.170  36.125
  275    H    ARG  34           H        ARG  34   1.798  20.765  37.764
  276    HA   ARG  34           HA       ARG  34   0.397  20.412  40.218
  277    HB2  ARG  34           HB2      ARG  34   2.169  18.902  38.814
  278    HB3  ARG  34           HB3      ARG  34   3.206  19.519  40.094
  279    HG2  ARG  34           HG2      ARG  34   1.447  18.704  41.722
  280    HG3  ARG  34           HG3      ARG  34   0.727  17.849  40.357
  281    HD2  ARG  34           HD2      ARG  34   2.170  16.188  40.647
  282    HD3  ARG  34           HD3      ARG  34   3.503  17.301  40.338
  283    HE   ARG  34           HE       ARG  34   3.965  17.294  42.574
  284   HH11  ARG  34          HH11      ARG  34   0.724  16.118  42.093
  285   HH12  ARG  34          HH12      ARG  34   0.498  15.678  43.754
  286   HH21  ARG  34          HH21      ARG  34   3.679  16.719  44.763
  287   HH22  ARG  34          HH22      ARG  34   2.179  16.022  45.271
  288    H    LYS  35           H        LYS  35   3.148  22.318  39.206
  289    HA   LYS  35           HA       LYS  35   4.223  22.935  41.722
  290    HB2  LYS  35           HB2      LYS  35   4.521  23.860  38.995
  291    HB3  LYS  35           HB3      LYS  35   4.584  25.207  40.123
  292    HG2  LYS  35           HG2      LYS  35   6.184  22.855  40.871
  293    HG3  LYS  35           HG3      LYS  35   6.714  23.718  39.425
  294    HD2  LYS  35           HD2      LYS  35   6.061  25.623  41.445
  295    HD3  LYS  35           HD3      LYS  35   7.137  24.407  42.139
  296    HE2  LYS  35           HE2      LYS  35   7.637  25.963  39.602
  297    HE3  LYS  35           HE3      LYS  35   8.379  26.288  41.168
  298    HZ1  LYS  35           HZ1      LYS  35   9.300  24.577  39.208
  299    HZ2  LYS  35           HZ2      LYS  35   8.735  23.573  40.446
  300    HZ3  LYS  35           HZ3      LYS  35   9.905  24.749  40.779
  Start of MODEL    4
    1    H1   MET   1           H        MET   1  -4.129   0.658   0.950
    2    HA   MET   1           HA       MET   1  -2.806   2.357  -1.061
    3    HB2  MET   1           HB2      MET   1  -3.739   2.930   1.736
    4    HB3  MET   1           HB3      MET   1  -2.475   3.902   0.995
    5    HG2  MET   1           HG2      MET   1  -3.895   4.883  -0.482
    6    HG3  MET   1           HG3      MET   1  -4.970   3.488  -0.545
    7    HE1  MET   1           HE1      MET   1  -4.345   7.009   1.363
    8    HE2  MET   1           HE2      MET   1  -4.790   6.437   2.970
    9    HE3  MET   1           HE3      MET   1  -3.423   5.712   2.123
   10    H    GLU   2           H        GLU   2  -1.461   0.204  -0.985
   11    HA   GLU   2           HA       GLU   2   0.675   0.557   1.015
   12    HB2  GLU   2           HB2      GLU   2  -0.713  -1.612   1.032
   13    HB3  GLU   2           HB3      GLU   2   0.141  -2.015  -0.450
   14    HG2  GLU   2           HG2      GLU   2   2.245  -1.428   1.053
   15    HG3  GLU   2           HG3      GLU   2   1.129  -1.889   2.337
   16    H    GLN   3           H        GLN   3   1.361   2.199  -0.660
   17    HA   GLN   3           HA       GLN   3   3.363   0.968  -2.359
   18    HB2  GLN   3           HB2      GLN   3   1.044   2.548  -3.416
   19    HB3  GLN   3           HB3      GLN   3   2.592   2.590  -4.249
   20    HG2  GLN   3           HG2      GLN   3   2.318  -0.053  -4.005
   21    HG3  GLN   3           HG3      GLN   3   0.617   0.408  -4.018
   22   HE21  GLN   3          HE21      GLN   3  -0.320   0.710  -5.916
   23   HE22  GLN   3          HE22      GLN   3   0.497   0.893  -7.427
   24    H    SER   4           H        SER   4   4.504   2.920  -3.621
   25    HA   SER   4           HA       SER   4   5.965   4.648  -3.357
   26    HB2  SER   4           HB2      SER   4   3.918   6.059  -1.674
   27    HB3  SER   4           HB3      SER   4   5.006   6.724  -2.893
   28    HG   SER   4           HG       SER   4   3.725   5.913  -4.485
   29    H    THR   5           H        THR   5   7.337   3.343  -2.011
   30    HA   THR   5           HA       THR   5   7.213   3.050   0.728
   31    HB   THR   5           HB       THR   5   9.668   2.789   0.701
   32    HG1  THR   5           HG1      THR   5  10.425   4.248  -0.740
   33   HG21  THR   5          HG21      THR   5   9.744   0.870  -0.702
   34   HG22  THR   5          HG22      THR   5   8.474   1.504  -1.749
   35   HG23  THR   5          HG23      THR   5   8.089   0.992  -0.107
   36    H    GLU   6           H        GLU   6   8.551   5.747  -1.136
   37    HA   GLU   6           HA       GLU   6   9.685   7.183   0.973
   38    HB2  GLU   6           HB2      GLU   6   9.318   7.566  -1.765
   39    HB3  GLU   6           HB3      GLU   6   8.478   8.918  -1.018
   40    HG2  GLU   6           HG2      GLU   6  10.482   9.896  -1.038
   41    HG3  GLU   6           HG3      GLU   6  10.797   8.905   0.385
   42    H    VAL   7           H        VAL   7   6.411   7.348  -0.394
   43    HA   VAL   7           HA       VAL   7   5.449   9.410   1.251
   44    HB   VAL   7           HB       VAL   7   3.861   7.137   0.051
   45   HG11  VAL   7          HG11      VAL   7   2.370   9.505   0.093
   46   HG12  VAL   7          HG12      VAL   7   2.126   8.066   1.085
   47   HG13  VAL   7          HG13      VAL   7   3.128   9.390   1.681
   48   HG21  VAL   7          HG21      VAL   7   5.262   8.390  -1.583
   49   HG22  VAL   7          HG22      VAL   7   3.528   8.532  -1.873
   50   HG23  VAL   7          HG23      VAL   7   4.408   9.862  -1.119
   51    H    LEU   8           H        LEU   8   5.365   5.886   1.643
   52    HA   LEU   8           HA       LEU   8   3.861   5.829   4.014
   53    HB2  LEU   8           HB2      LEU   8   4.923   3.963   2.330
   54    HB3  LEU   8           HB3      LEU   8   5.928   3.766   3.765
   55    HG   LEU   8           HG       LEU   8   3.617   3.637   4.995
   56   HD11  LEU   8          HD11      LEU   8   2.561   4.133   2.625
   57   HD12  LEU   8          HD12      LEU   8   1.770   3.069   3.788
   58   HD13  LEU   8          HD13      LEU   8   2.708   2.383   2.461
   59   HD21  LEU   8          HD21      LEU   8   4.275   1.537   5.290
   60   HD22  LEU   8          HD22      LEU   8   5.465   1.777   4.011
   61   HD23  LEU   8          HD23      LEU   8   3.872   1.125   3.623
   62    H    ALA   9           H        ALA   9   7.361   5.968   3.469
   63    HA   ALA   9           HA       ALA   9   8.162   5.773   6.151
   64    HB1  ALA   9           HB1      ALA   9   9.581   5.628   4.023
   65    HB2  ALA   9           HB2      ALA   9   9.656   7.389   4.112
   66    HB3  ALA   9           HB3      ALA   9  10.292   6.411   5.435
   67    H    ALA  10           H        ALA  10   7.385   8.596   4.152
   68    HA   ALA  10           HA       ALA  10   8.061  10.562   6.050
   69    HB1  ALA  10           HB1      ALA  10   5.856  10.996   4.083
   70    HB2  ALA  10           HB2      ALA  10   7.134  12.097   4.601
   71    HB3  ALA  10           HB3      ALA  10   7.509  10.761   3.512
   72    H    VAL  11           H        VAL  11   5.004   8.905   5.360
   73    HA   VAL  11           HA       VAL  11   3.397  10.359   7.151
   74    HB   VAL  11           HB       VAL  11   3.070   7.495   6.245
   75   HG11  VAL  11          HG11      VAL  11   1.314   9.372   7.764
   76   HG12  VAL  11          HG12      VAL  11   0.589   8.186   6.677
   77   HG13  VAL  11          HG13      VAL  11   1.605   7.651   8.017
   78   HG21  VAL  11          HG21      VAL  11   1.320   9.459   5.038
   79   HG22  VAL  11          HG22      VAL  11   3.018   9.824   4.730
   80   HG23  VAL  11          HG23      VAL  11   2.357   8.254   4.274
   81    H    ILE  12           H        ILE  12   5.239   7.358   7.563
   82    HA   ILE  12           HA       ILE  12   4.406   6.797  10.189
   83    HB   ILE  12           HB       ILE  12   6.944   6.054   8.737
   84   HG12  ILE  12          HG12      ILE  12   4.802   5.148   7.849
   85   HG13  ILE  12          HG13      ILE  12   5.882   3.896   8.451
   86   HG21  ILE  12          HG21      ILE  12   7.686   5.729  10.863
   87   HG22  ILE  12          HG22      ILE  12   6.062   5.526  11.518
   88   HG23  ILE  12          HG23      ILE  12   6.829   4.204  10.638
   89   HD11  ILE  12          HD11      ILE  12   4.316   3.160   9.821
   90   HD12  ILE  12          HD12      ILE  12   4.156   4.756  10.557
   91   HD13  ILE  12          HD13      ILE  12   3.202   4.341   9.132
   92    H    ALA  13           H        ALA  13   7.267   8.521   8.974
   93    HA   ALA  13           HA       ALA  13   8.428   9.080  11.463
   94    HB1  ALA  13           HB1      ALA  13   9.809   9.383   9.604
   95    HB2  ALA  13           HB2      ALA  13   8.629  10.400   8.777
   96    HB3  ALA  13           HB3      ALA  13   9.498  11.021  10.180
   97    H    GLY  14           H        GLY  14   6.087  10.907   9.526
   98    HA2  GLY  14           HA2      GLY  14   6.010  13.199  11.173
   99    HA3  GLY  14           HA3      GLY  14   4.756  12.704  10.046
  100    H    GLY  15           H        GLY  15   4.163  10.185  11.239
  101    HA2  GLY  15           HA2      GLY  15   2.301  11.038  13.210
  102    HA3  GLY  15           HA3      GLY  15   2.636   9.374  12.755
  103    H    VAL  16           H        VAL  16   5.369   9.278  13.398
  104    HA   VAL  16           HA       VAL  16   5.228   8.717  16.166
  105    HB   VAL  16           HB       VAL  16   7.698   9.006  14.450
  106   HG11  VAL  16          HG11      VAL  16   8.464   9.001  16.645
  107   HG12  VAL  16          HG12      VAL  16   7.206   7.888  17.186
  108   HG13  VAL  16          HG13      VAL  16   8.539   7.299  16.192
  109   HG21  VAL  16          HG21      VAL  16   5.601   7.134  14.278
  110   HG22  VAL  16          HG22      VAL  16   7.160   7.094  13.455
  111   HG23  VAL  16          HG23      VAL  16   6.968   6.299  15.017
  112    H    ILE  17           H        ILE  17   6.802  11.325  14.341
  113    HA   ILE  17           HA       ILE  17   7.959  12.617  16.561
  114    HB   ILE  17           HB       ILE  17   7.112  13.808  13.918
  115   HG12  ILE  17          HG12      ILE  17   9.906  13.030  14.708
  116   HG13  ILE  17          HG13      ILE  17   8.806  11.845  14.011
  117   HG21  ILE  17          HG21      ILE  17   9.057  15.408  14.585
  118   HG22  ILE  17          HG22      ILE  17   7.441  15.664  15.242
  119   HG23  ILE  17          HG23      ILE  17   8.677  14.877  16.223
  120   HD11  ILE  17          HD11      ILE  17  10.048  12.647  12.210
  121   HD12  ILE  17          HD12      ILE  17   8.511  13.506  12.101
  122   HD13  ILE  17          HD13      ILE  17   9.932  14.319  12.757
  123    H    GLY  18           H        GLY  18   4.876  13.135  14.873
  124    HA2  GLY  18           HA2      GLY  18   4.041  15.363  16.383
  125    HA3  GLY  18           HA3      GLY  18   2.985  14.284  15.484
  126    H    PHE  19           H        PHE  19   3.475  11.893  16.839
  127    HA   PHE  19           HA       PHE  19   1.717  12.150  19.027
  128    HB2  PHE  19           HB2      PHE  19   3.271   9.970  17.773
  129    HB3  PHE  19           HB3      PHE  19   2.847   9.726  19.464
  130    HD1  PHE  19           HD1      PHE  19   1.159   8.153  19.491
  131    HD2  PHE  19           HD2      PHE  19   0.956  11.370  16.712
  132    HE1  PHE  19           HE1      PHE  19  -1.095   7.427  18.821
  133    HE2  PHE  19           HE2      PHE  19  -1.298  10.651  16.038
  134    HZ   PHE  19           HZ       PHE  19  -2.327   8.677  17.093
  135    H    LEU  20           H        LEU  20   5.228  11.752  18.840
  136    HA   LEU  20           HA       LEU  20   5.692  11.521  21.610
  137    HB2  LEU  20           HB2      LEU  20   7.256  11.816  19.197
  138    HB3  LEU  20           HB3      LEU  20   7.941  12.753  20.523
  139    HG   LEU  20           HG       LEU  20   8.087  10.731  21.886
  140   HD11  LEU  20          HD11      LEU  20   6.275   9.711  19.941
  141   HD12  LEU  20          HD12      LEU  20   6.827   8.965  21.441
  142   HD13  LEU  20          HD13      LEU  20   7.727   8.709  19.946
  143   HD21  LEU  20          HD21      LEU  20   9.906   9.699  20.737
  144   HD22  LEU  20          HD22      LEU  20   9.929  11.417  20.340
  145   HD23  LEU  20          HD23      LEU  20   9.306  10.250  19.173
  146    H    PHE  21           H        PHE  21   5.499  14.306  19.456
  147    HA   PHE  21           HA       PHE  21   6.362  16.228  21.354
  148    HB2  PHE  21           HB2      PHE  21   5.493  16.210  18.627
  149    HB3  PHE  21           HB3      PHE  21   4.605  17.458  19.495
  150    HD1  PHE  21           HD1      PHE  21   5.530  19.551  19.558
  151    HD2  PHE  21           HD2      PHE  21   8.098  16.174  19.214
  152    HE1  PHE  21           HE1      PHE  21   7.475  21.050  19.392
  153    HE2  PHE  21           HE2      PHE  21  10.046  17.667  19.049
  154    HZ   PHE  21           HZ       PHE  21   9.736  20.109  19.139
  155    H    ALA  22           H        ALA  22   3.173  15.058  20.366
  156    HA   ALA  22           HA       ALA  22   1.636  16.855  21.886
  157    HB1  ALA  22           HB1      ALA  22   1.168  14.320  20.472
  158    HB2  ALA  22           HB2      ALA  22   0.046  14.671  21.787
  159    HB3  ALA  22           HB3      ALA  22   0.238  15.818  20.461
  160    H    ILE  23           H        ILE  23   2.891  13.625  22.645
  161    HA   ILE  23           HA       ILE  23   1.701  13.435  25.203
  162    HB   ILE  23           HB       ILE  23   4.138  12.053  24.079
  163   HG12  ILE  23          HG12      ILE  23   1.978  11.595  22.937
  164   HG13  ILE  23          HG13      ILE  23   2.647  10.172  23.728
  165   HG21  ILE  23          HG21      ILE  23   2.668  11.668  26.670
  166   HG22  ILE  23          HG22      ILE  23   3.648  10.395  25.944
  167   HG23  ILE  23          HG23      ILE  23   4.394  11.923  26.413
  168   HD11  ILE  23          HD11      ILE  23   0.251  10.316  24.059
  169   HD12  ILE  23          HD12      ILE  23   1.104  10.490  25.593
  170   HD13  ILE  23          HD13      ILE  23   0.433  11.910  24.791
  171    H    PHE  24           H        PHE  24   4.787  14.698  24.073
  172    HA   PHE  24           HA       PHE  24   5.953  15.055  26.631
  173    HB2  PHE  24           HB2      PHE  24   7.240  15.012  24.503
  174    HB3  PHE  24           HB3      PHE  24   6.541  16.571  24.081
  175    HD1  PHE  24           HD1      PHE  24   8.574  14.884  26.693
  176    HD2  PHE  24           HD2      PHE  24   7.588  18.533  24.736
  177    HE1  PHE  24           HE1      PHE  24  10.393  16.018  27.900
  178    HE2  PHE  24           HE2      PHE  24   9.406  19.673  25.939
  179    HZ   PHE  24           HZ       PHE  24  10.812  18.416  27.522
  180    H    LEU  25           H        LEU  25   4.026  17.145  24.537
  181    HA   LEU  25           HA       LEU  25   4.276  19.486  26.110
  182    HB2  LEU  25           HB2      LEU  25   2.402  18.573  23.970
  183    HB3  LEU  25           HB3      LEU  25   2.047  20.043  24.875
  184    HG   LEU  25           HG       LEU  25   4.657  19.651  23.436
  185   HD11  LEU  25          HD11      LEU  25   1.989  20.361  22.351
  186   HD12  LEU  25          HD12      LEU  25   3.335  19.514  21.590
  187   HD13  LEU  25          HD13      LEU  25   3.386  21.267  21.769
  188   HD21  LEU  25          HD21      LEU  25   4.548  21.413  25.130
  189   HD22  LEU  25          HD22      LEU  25   3.144  22.108  24.318
  190   HD23  LEU  25          HD23      LEU  25   4.711  22.085  23.508
  191    H    ILE  26           H        ILE  26   1.866  16.895  26.008
  192    HA   ILE  26           HA       ILE  26   0.076  18.027  27.870
  193    HB   ILE  26           HB       ILE  26   0.544  15.115  27.219
  194   HG12  ILE  26          HG12      ILE  26  -1.770  16.724  26.222
  195   HG13  ILE  26          HG13      ILE  26  -0.210  16.905  25.427
  196   HG21  ILE  26          HG21      ILE  26  -1.962  15.089  27.988
  197   HG22  ILE  26          HG22      ILE  26  -0.657  14.979  29.168
  198   HG23  ILE  26          HG23      ILE  26  -1.475  16.518  28.901
  199   HD11  ILE  26          HD11      ILE  26  -1.844  14.399  25.702
  200   HD12  ILE  26          HD12      ILE  26  -1.460  15.286  24.226
  201   HD13  ILE  26          HD13      ILE  26  -0.188  14.432  25.098
  202    H    LEU  27           H        LEU  27   2.748  15.722  28.263
  203    HA   LEU  27           HA       LEU  27   2.417  15.289  31.021
  204    HB2  LEU  27           HB2      LEU  27   4.392  14.694  28.981
  205    HB3  LEU  27           HB3      LEU  27   5.135  15.045  30.540
  206    HG   LEU  27           HG       LEU  27   4.725  12.625  30.102
  207   HD11  LEU  27          HD11      LEU  27   3.140  13.674  32.436
  208   HD12  LEU  27          HD12      LEU  27   4.902  13.647  32.383
  209   HD13  LEU  27          HD13      LEU  27   3.994  12.137  32.311
  210   HD21  LEU  27          HD21      LEU  27   1.905  12.743  30.786
  211   HD22  LEU  27          HD22      LEU  27   2.727  11.819  29.528
  212   HD23  LEU  27          HD23      LEU  27   2.253  13.492  29.227
  213    H    LEU  28           H        LEU  28   4.307  17.674  29.223
  214    HA   LEU  28           HA       LEU  28   5.627  18.802  31.448
  215    HB2  LEU  28           HB2      LEU  28   6.073  19.067  28.911
  216    HB3  LEU  28           HB3      LEU  28   4.896  20.375  29.007
  217    HG   LEU  28           HG       LEU  28   7.218  20.391  30.878
  218   HD11  LEU  28          HD11      LEU  28   8.703  21.303  29.318
  219   HD12  LEU  28          HD12      LEU  28   7.439  21.523  28.108
  220   HD13  LEU  28          HD13      LEU  28   8.011  19.902  28.502
  221   HD21  LEU  28          HD21      LEU  28   6.959  22.871  30.344
  222   HD22  LEU  28          HD22      LEU  28   5.667  22.106  31.269
  223   HD23  LEU  28          HD23      LEU  28   5.451  22.422  29.547
  224    H    LEU  29           H        LEU  29   2.570  19.561  29.847
  225    HA   LEU  29           HA       LEU  29   1.999  21.909  31.306
  226    HB2  LEU  29           HB2      LEU  29   0.762  20.350  29.300
  227    HB3  LEU  29           HB3      LEU  29  -0.404  20.530  30.608
  228    HG   LEU  29           HG       LEU  29   0.969  22.984  29.661
  229   HD11  LEU  29          HD11      LEU  29   0.510  22.111  27.532
  230   HD12  LEU  29          HD12      LEU  29  -0.846  23.179  27.891
  231   HD13  LEU  29          HD13      LEU  29  -1.034  21.432  28.049
  232   HD21  LEU  29          HD21      LEU  29  -0.575  23.237  31.440
  233   HD22  LEU  29          HD22      LEU  29  -1.788  22.252  30.621
  234   HD23  LEU  29          HD23      LEU  29  -1.375  23.848  29.992
  235    H    VAL  30           H        VAL  30   0.950  18.540  31.765
  236    HA   VAL  30           HA       VAL  30  -0.567  19.021  34.096
  237    HB   VAL  30           HB       VAL  30  -0.820  16.983  32.739
  238   HG11  VAL  30          HG11      VAL  30   1.866  16.226  33.887
  239   HG12  VAL  30          HG12      VAL  30   0.810  15.158  32.959
  240   HG13  VAL  30          HG13      VAL  30   1.515  16.584  32.196
  241   HG21  VAL  30          HG21      VAL  30  -1.670  15.943  34.519
  242   HG22  VAL  30          HG22      VAL  30  -0.074  15.693  35.227
  243   HG23  VAL  30          HG23      VAL  30  -0.931  17.210  35.498
  244    H    TYR  31           H        TYR  31   2.829  18.357  33.557
  245    HA   TYR  31           HA       TYR  31   3.450  17.832  36.299
  246    HB2  TYR  31           HB2      TYR  31   4.842  16.970  34.461
  247    HB3  TYR  31           HB3      TYR  31   5.272  18.616  34.013
  248    HD1  TYR  31           HD1      TYR  31   5.298  16.459  37.072
  249    HD2  TYR  31           HD2      TYR  31   7.324  19.374  34.727
  250    HE1  TYR  31           HE1      TYR  31   7.202  16.379  38.627
  251    HE2  TYR  31           HE2      TYR  31   9.234  19.301  36.275
  252    HH   TYR  31           HH       TYR  31  10.149  18.247  38.021
  253    H    ARG  32           H        ARG  32   3.571  20.661  34.196
  254    HA   ARG  32           HA       ARG  32   4.953  22.383  35.930
  255    HB2  ARG  32           HB2      ARG  32   3.362  22.630  33.486
  256    HB3  ARG  32           HB3      ARG  32   3.245  24.037  34.534
  257    HG2  ARG  32           HG2      ARG  32   5.958  22.977  34.048
  258    HG3  ARG  32           HG3      ARG  32   5.143  23.741  32.682
  259    HD2  ARG  32           HD2      ARG  32   5.299  25.795  33.582
  260    HD3  ARG  32           HD3      ARG  32   4.932  25.217  35.206
  261    HE   ARG  32           HE       ARG  32   7.170  25.186  35.632
  262   HH11  ARG  32          HH11      ARG  32   6.698  25.095  32.184
  263   HH12  ARG  32          HH12      ARG  32   8.388  25.210  31.819
  264   HH21  ARG  32          HH21      ARG  32   9.397  25.338  35.164
  265   HH22  ARG  32          HH22      ARG  32   9.922  25.347  33.515
  266    H    MET  33           H        MET  33   1.531  21.588  35.648
  267    HA   MET  33           HA       MET  33   0.561  23.574  37.403
  268    HB2  MET  33           HB2      MET  33  -0.519  21.444  35.882
  269    HB3  MET  33           HB3      MET  33  -1.056  21.210  37.540
  270    HG2  MET  33           HG2      MET  33  -2.356  23.058  37.531
  271    HG3  MET  33           HG3      MET  33  -1.284  23.943  36.448
  272    HE1  MET  33           HE1      MET  33  -1.579  22.865  33.253
  273    HE2  MET  33           HE2      MET  33  -2.812  24.118  33.396
  274    HE3  MET  33           HE3      MET  33  -1.335  24.219  34.356
  275    H    ARG  34           H        ARG  34   2.190  20.590  37.943
  276    HA   ARG  34           HA       ARG  34   1.267  20.126  40.601
  277    HB2  ARG  34           HB2      ARG  34   2.848  18.757  38.730
  278    HB3  ARG  34           HB3      ARG  34   3.904  19.055  40.104
  279    HG2  ARG  34           HG2      ARG  34   2.932  17.453  41.283
  280    HG3  ARG  34           HG3      ARG  34   1.330  18.135  40.994
  281    HD2  ARG  34           HD2      ARG  34   0.928  16.784  39.198
  282    HD3  ARG  34           HD3      ARG  34   2.634  16.672  38.765
  283    HE   ARG  34           HE       ARG  34   2.800  14.803  40.071
  284   HH11  ARG  34          HH11      ARG  34  -0.109  16.519  40.915
  285   HH12  ARG  34          HH12      ARG  34  -0.694  15.274  41.968
  286   HH21  ARG  34          HH21      ARG  34   2.041  13.156  41.455
  287   HH22  ARG  34          HH22      ARG  34   0.531  13.362  42.276
  288    H    LYS  35           H        LYS  35   3.872  21.972  39.176
  289    HA   LYS  35           HA       LYS  35   5.460  22.365  41.448
  290    HB2  LYS  35           HB2      LYS  35   5.506  23.206  38.806
  291    HB3  LYS  35           HB3      LYS  35   5.317  24.702  39.710
  292    HG2  LYS  35           HG2      LYS  35   7.364  22.831  40.711
  293    HG3  LYS  35           HG3      LYS  35   7.690  23.594  39.153
  294    HD2  LYS  35           HD2      LYS  35   6.718  25.628  40.825
  295    HD3  LYS  35           HD3      LYS  35   7.865  24.705  41.798
  296    HE2  LYS  35           HE2      LYS  35   9.467  24.898  39.850
  297    HE3  LYS  35           HE3      LYS  35   8.344  26.066  39.157
  298    HZ1  LYS  35           HZ1      LYS  35   9.179  26.506  41.916
  299    HZ2  LYS  35           HZ2      LYS  35   8.878  27.627  40.685
  300    HZ3  LYS  35           HZ3      LYS  35  10.340  26.777  40.716
  Start of MODEL    5
    1    H1   MET   1           H        MET   1  -0.588  -5.517  -1.978
    2    HA   MET   1           HA       MET   1   1.353  -4.634  -0.095
    3    HB2  MET   1           HB2      MET   1   1.560  -5.448  -2.615
    4    HB3  MET   1           HB3      MET   1   1.451  -3.722  -2.932
    5    HG2  MET   1           HG2      MET   1   3.579  -3.450  -2.412
    6    HG3  MET   1           HG3      MET   1   3.319  -4.169  -0.824
    7    HE1  MET   1           HE1      MET   1   5.670  -4.273  -3.477
    8    HE2  MET   1           HE2      MET   1   6.112  -4.527  -1.789
    9    HE3  MET   1           HE3      MET   1   6.465  -5.770  -2.990
   10    H    GLU   2           H        GLU   2   2.310  -2.410  -0.172
   11    HA   GLU   2           HA       GLU   2   0.167  -0.394  -0.359
   12    HB2  GLU   2           HB2      GLU   2   2.210  -0.933   1.716
   13    HB3  GLU   2           HB3      GLU   2   1.911   0.759   1.344
   14    HG2  GLU   2           HG2      GLU   2  -0.299   0.655   2.047
   15    HG3  GLU   2           HG3      GLU   2  -0.354  -1.103   1.927
   16    H    GLN   3           H        GLN   3   3.549  -1.123  -0.943
   17    HA   GLN   3           HA       GLN   3   5.154  -0.108  -2.198
   18    HB2  GLN   3           HB2      GLN   3   2.908  -0.285  -3.745
   19    HB3  GLN   3           HB3      GLN   3   3.270   1.433  -3.847
   20    HG2  GLN   3           HG2      GLN   3   5.190   1.107  -5.010
   21    HG3  GLN   3           HG3      GLN   3   5.512  -0.454  -4.258
   22   HE21  GLN   3          HE21      GLN   3   3.053   1.046  -6.336
   23   HE22  GLN   3          HE22      GLN   3   2.920  -0.286  -7.428
   24    H    SER   4           H        SER   4   5.440   2.299  -3.411
   25    HA   SER   4           HA       SER   4   6.102   4.430  -2.951
   26    HB2  SER   4           HB2      SER   4   3.708   4.797  -1.188
   27    HB3  SER   4           HB3      SER   4   4.399   5.899  -2.380
   28    HG   SER   4           HG       SER   4   3.283   4.955  -3.917
   29    H    THR   5           H        THR   5   7.614   2.933  -1.507
   30    HA   THR   5           HA       THR   5   7.475   2.880   1.246
   31    HB   THR   5           HB       THR   5  10.180   3.347   0.716
   32    HG1  THR   5           HG1      THR   5  10.588   2.530  -1.240
   33   HG21  THR   5          HG21      THR   5   8.810   0.668   0.562
   34   HG22  THR   5          HG22      THR   5   9.040   1.541   2.078
   35   HG23  THR   5          HG23      THR   5  10.439   1.026   1.135
   36    H    GLU   6           H        GLU   6   8.693   5.467  -0.843
   37    HA   GLU   6           HA       GLU   6   9.719   7.145   1.140
   38    HB2  GLU   6           HB2      GLU   6   8.653   7.601  -1.622
   39    HB3  GLU   6           HB3      GLU   6   9.053   8.981  -0.607
   40    HG2  GLU   6           HG2      GLU   6  11.319   7.734  -0.293
   41    HG3  GLU   6           HG3      GLU   6  10.844   6.907  -1.775
   42    H    VAL   7           H        VAL   7   6.465   7.018  -0.279
   43    HA   VAL   7           HA       VAL   7   5.367   9.167   1.149
   44    HB   VAL   7           HB       VAL   7   3.953   6.697   0.133
   45   HG11  VAL   7          HG11      VAL   7   2.052   8.482  -0.011
   46   HG12  VAL   7          HG12      VAL   7   2.388   7.668   1.518
   47   HG13  VAL   7          HG13      VAL   7   2.993   9.300   1.235
   48   HG21  VAL   7          HG21      VAL   7   3.479   7.992  -1.859
   49   HG22  VAL   7          HG22      VAL   7   4.346   9.378  -1.196
   50   HG23  VAL   7          HG23      VAL   7   5.222   7.903  -1.604
   51    H    LEU   8           H        LEU   8   5.461   5.698   1.889
   52    HA   LEU   8           HA       LEU   8   3.935   5.795   4.243
   53    HB2  LEU   8           HB2      LEU   8   5.552   3.880   2.834
   54    HB3  LEU   8           HB3      LEU   8   5.851   3.772   4.568
   55    HG   LEU   8           HG       LEU   8   3.223   3.706   4.687
   56   HD11  LEU   8          HD11      LEU   8   2.946   4.105   2.262
   57   HD12  LEU   8          HD12      LEU   8   2.204   2.601   2.807
   58   HD13  LEU   8          HD13      LEU   8   3.743   2.562   1.948
   59   HD21  LEU   8          HD21      LEU   8   5.146   1.505   4.041
   60   HD22  LEU   8          HD22      LEU   8   3.433   1.161   4.287
   61   HD23  LEU   8          HD23      LEU   8   4.378   1.903   5.578
   62    H    ALA   9           H        ALA   9   7.419   6.113   3.701
   63    HA   ALA   9           HA       ALA   9   8.196   6.220   6.402
   64    HB1  ALA   9           HB1      ALA   9  10.296   6.984   5.635
   65    HB2  ALA   9           HB2      ALA   9   9.687   5.897   4.387
   66    HB3  ALA   9           HB3      ALA   9   9.599   7.643   4.155
   67    H    ALA  10           H        ALA  10   7.181   8.737   4.139
   68    HA   ALA  10           HA       ALA  10   7.775  10.951   5.782
   69    HB1  ALA  10           HB1      ALA  10   5.863  11.993   4.305
   70    HB2  ALA  10           HB2      ALA  10   7.433  11.588   3.610
   71    HB3  ALA  10           HB3      ALA  10   6.064  10.499   3.389
   72    H    VAL  11           H        VAL  11   4.728   9.185   5.251
   73    HA   VAL  11           HA       VAL  11   3.212  10.696   7.099
   74    HB   VAL  11           HB       VAL  11   2.105   9.393   5.382
   75   HG11  VAL  11          HG11      VAL  11   2.082   6.988   5.362
   76   HG12  VAL  11          HG12      VAL  11   3.757   7.541   5.333
   77   HG13  VAL  11          HG13      VAL  11   3.056   6.926   6.831
   78   HG21  VAL  11          HG21      VAL  11   1.216   9.698   7.878
   79   HG22  VAL  11          HG22      VAL  11   0.287   8.857   6.637
   80   HG23  VAL  11          HG23      VAL  11   1.230   7.936   7.809
   81    H    ILE  12           H        ILE  12   4.999   7.655   7.378
   82    HA   ILE  12           HA       ILE  12   4.193   7.013   9.999
   83    HB   ILE  12           HB       ILE  12   6.650   6.261   8.427
   84   HG12  ILE  12          HG12      ILE  12   4.423   4.455   9.330
   85   HG13  ILE  12          HG13      ILE  12   4.253   5.434   7.878
   86   HG21  ILE  12          HG21      ILE  12   6.584   4.402  10.363
   87   HG22  ILE  12          HG22      ILE  12   7.564   5.864  10.454
   88   HG23  ILE  12          HG23      ILE  12   6.001   5.799  11.268
   89   HD11  ILE  12          HD11      ILE  12   6.634   4.296   7.392
   90   HD12  ILE  12          HD12      ILE  12   5.877   3.035   8.367
   91   HD13  ILE  12          HD13      ILE  12   5.092   3.601   6.893
   92    H    ALA  13           H        ALA  13   7.077   8.708   8.792
   93    HA   ALA  13           HA       ALA  13   8.272   9.170  11.289
   94    HB1  ALA  13           HB1      ALA  13   9.654   9.468   9.430
   95    HB2  ALA  13           HB2      ALA  13   8.503  10.540   8.631
   96    HB3  ALA  13           HB3      ALA  13   9.398  11.102  10.042
   97    H    GLY  14           H        GLY  14   5.991  11.119   9.396
   98    HA2  GLY  14           HA2      GLY  14   5.990  13.373  11.094
   99    HA3  GLY  14           HA3      GLY  14   4.718  12.943   9.961
  100    H    GLY  15           H        GLY  15   4.050  10.418  11.105
  101    HA2  GLY  15           HA2      GLY  15   2.222  11.289  13.101
  102    HA3  GLY  15           HA3      GLY  15   2.500   9.625  12.608
  103    H    VAL  16           H        VAL  16   5.235   9.435  13.237
  104    HA   VAL  16           HA       VAL  16   5.085   8.808  15.989
  105    HB   VAL  16           HB       VAL  16   7.573   9.085  14.297
  106   HG11  VAL  16          HG11      VAL  16   8.166   7.154  16.034
  107   HG12  VAL  16          HG12      VAL  16   8.458   8.860  16.379
  108   HG13  VAL  16          HG13      VAL  16   7.023   8.062  17.024
  109   HG21  VAL  16          HG21      VAL  16   6.950   7.266  13.189
  110   HG22  VAL  16          HG22      VAL  16   6.788   6.379  14.704
  111   HG23  VAL  16          HG23      VAL  16   5.412   7.269  14.052
  112    H    ILE  17           H        ILE  17   6.741  11.412  14.229
  113    HA   ILE  17           HA       ILE  17   7.923  12.617  16.486
  114    HB   ILE  17           HB       ILE  17   7.160  13.825  13.827
  115   HG12  ILE  17          HG12      ILE  17   8.818  11.976  13.758
  116   HG13  ILE  17          HG13      ILE  17   9.498  13.519  13.253
  117   HG21  ILE  17          HG21      ILE  17   9.023  15.483  14.563
  118   HG22  ILE  17          HG22      ILE  17   7.377  15.699  15.156
  119   HG23  ILE  17          HG23      ILE  17   8.596  14.954  16.190
  120   HD11  ILE  17          HD11      ILE  17  11.055  13.410  14.818
  121   HD12  ILE  17          HD12      ILE  17   9.852  13.131  16.078
  122   HD13  ILE  17          HD13      ILE  17  10.505  11.771  15.165
  123    H    GLY  18           H        GLY  18   4.871  13.267  14.788
  124    HA2  GLY  18           HA2      GLY  18   4.095  15.489  16.337
  125    HA3  GLY  18           HA3      GLY  18   3.012  14.460  15.410
  126    H    PHE  19           H        PHE  19   3.420  12.030  16.722
  127    HA   PHE  19           HA       PHE  19   1.656  12.300  18.904
  128    HB2  PHE  19           HB2      PHE  19   3.152  10.096  17.619
  129    HB3  PHE  19           HB3      PHE  19   2.703   9.834  19.301
  130    HD1  PHE  19           HD1      PHE  19   0.865   8.477  19.455
  131    HD2  PHE  19           HD2      PHE  19   0.994  11.428  16.390
  132    HE1  PHE  19           HE1      PHE  19  -1.403   7.838  18.749
  133    HE2  PHE  19           HE2      PHE  19  -1.274  10.794  15.680
  134    HZ   PHE  19           HZ       PHE  19  -2.477   8.998  16.860
  135    H    LEU  20           H        LEU  20   5.155  11.795  18.729
  136    HA   LEU  20           HA       LEU  20   5.593  11.495  21.496
  137    HB2  LEU  20           HB2      LEU  20   7.133  11.425  19.191
  138    HB3  LEU  20           HB3      LEU  20   7.782  12.788  20.099
  139    HG   LEU  20           HG       LEU  20   9.062  10.824  20.609
  140   HD11  LEU  20          HD11      LEU  20   7.307  11.135  23.009
  141   HD12  LEU  20          HD12      LEU  20   8.284  12.486  22.436
  142   HD13  LEU  20          HD13      LEU  20   9.061  10.978  22.916
  143   HD21  LEU  20          HD21      LEU  20   7.189   9.215  22.017
  144   HD22  LEU  20          HD22      LEU  20   8.161   8.798  20.606
  145   HD23  LEU  20          HD23      LEU  20   6.561   9.511  20.396
  146    H    PHE  21           H        PHE  21   5.502  14.327  19.397
  147    HA   PHE  21           HA       PHE  21   6.412  16.183  21.338
  148    HB2  PHE  21           HB2      PHE  21   5.523  16.248  18.606
  149    HB3  PHE  21           HB3      PHE  21   4.724  17.529  19.512
  150    HD1  PHE  21           HD1      PHE  21   5.799  19.546  19.771
  151    HD2  PHE  21           HD2      PHE  21   8.106  16.057  18.984
  152    HE1  PHE  21           HE1      PHE  21   7.828  20.929  19.605
  153    HE2  PHE  21           HE2      PHE  21  10.138  17.434  18.818
  154    HZ   PHE  21           HZ       PHE  21  10.001  19.873  19.130
  155    H    ALA  22           H        ALA  22   3.194  15.133  20.309
  156    HA   ALA  22           HA       ALA  22   1.704  16.947  21.856
  157    HB1  ALA  22           HB1      ALA  22   0.048  14.815  21.706
  158    HB2  ALA  22           HB2      ALA  22   0.282  15.982  20.404
  159    HB3  ALA  22           HB3      ALA  22   1.166  14.456  20.390
  160    H    ILE  23           H        ILE  23   2.854  13.665  22.558
  161    HA   ILE  23           HA       ILE  23   1.643  13.464  25.106
  162    HB   ILE  23           HB       ILE  23   4.043  12.029  23.969
  163   HG12  ILE  23          HG12      ILE  23   1.878  11.660  22.805
  164   HG13  ILE  23          HG13      ILE  23   2.497  10.201  23.573
  165   HG21  ILE  23          HG21      ILE  23   2.757  11.915  26.624
  166   HG22  ILE  23          HG22      ILE  23   3.141  10.368  25.872
  167   HG23  ILE  23          HG23      ILE  23   4.416  11.553  26.148
  168   HD11  ILE  23          HD11      ILE  23  -0.039  11.314  23.842
  169   HD12  ILE  23          HD12      ILE  23   0.651   9.983  24.770
  170   HD13  ILE  23          HD13      ILE  23   0.777  11.636  25.371
  171    H    PHE  24           H        PHE  24   4.773  14.653  24.017
  172    HA   PHE  24           HA       PHE  24   5.935  14.923  26.587
  173    HB2  PHE  24           HB2      PHE  24   6.932  15.066  24.100
  174    HB3  PHE  24           HB3      PHE  24   6.759  16.788  24.426
  175    HD1  PHE  24           HD1      PHE  24   8.551  13.733  25.257
  176    HD2  PHE  24           HD2      PHE  24   8.047  17.853  26.202
  177    HE1  PHE  24           HE1      PHE  24  10.667  13.700  26.513
  178    HE2  PHE  24           HE2      PHE  24  10.161  17.827  27.459
  179    HZ   PHE  24           HZ       PHE  24  11.475  15.749  27.615
  180    H    LEU  25           H        LEU  25   4.083  17.113  24.527
  181    HA   LEU  25           HA       LEU  25   4.395  19.412  26.150
  182    HB2  LEU  25           HB2      LEU  25   3.124  18.736  23.718
  183    HB3  LEU  25           HB3      LEU  25   1.901  19.463  24.759
  184    HG   LEU  25           HG       LEU  25   4.521  20.850  24.394
  185   HD11  LEU  25          HD11      LEU  25   3.539  20.130  22.140
  186   HD12  LEU  25          HD12      LEU  25   3.913  21.838  22.371
  187   HD13  LEU  25          HD13      LEU  25   2.245  21.277  22.489
  188   HD21  LEU  25          HD21      LEU  25   2.802  21.606  26.036
  189   HD22  LEU  25          HD22      LEU  25   1.709  21.897  24.682
  190   HD23  LEU  25          HD23      LEU  25   3.214  22.809  24.813
  191    H    ILE  26           H        ILE  26   1.909  16.897  25.981
  192    HA   ILE  26           HA       ILE  26   0.141  18.044  27.853
  193    HB   ILE  26           HB       ILE  26   0.530  15.133  27.148
  194   HG12  ILE  26          HG12      ILE  26  -1.732  16.827  26.170
  195   HG13  ILE  26          HG13      ILE  26  -0.163  16.979  25.388
  196   HG21  ILE  26          HG21      ILE  26  -2.121  15.650  27.923
  197   HG22  ILE  26          HG22      ILE  26  -0.917  14.677  28.766
  198   HG23  ILE  26          HG23      ILE  26  -1.089  16.390  29.147
  199   HD11  ILE  26          HD11      ILE  26  -0.197  14.543  24.962
  200   HD12  ILE  26          HD12      ILE  26  -1.830  14.489  25.628
  201   HD13  ILE  26          HD13      ILE  26  -1.503  15.422  24.167
  202    H    LEU  27           H        LEU  27   2.747  15.663  28.218
  203    HA   LEU  27           HA       LEU  27   2.384  15.181  30.964
  204    HB2  LEU  27           HB2      LEU  27   4.230  14.445  28.921
  205    HB3  LEU  27           HB3      LEU  27   5.139  14.965  30.339
  206    HG   LEU  27           HG       LEU  27   3.638  13.320  31.637
  207   HD11  LEU  27          HD11      LEU  27   2.338  11.844  30.548
  208   HD12  LEU  27          HD12      LEU  27   3.438  11.723  29.176
  209   HD13  LEU  27          HD13      LEU  27   2.322  13.083  29.293
  210   HD21  LEU  27          HD21      LEU  27   5.124  11.414  30.967
  211   HD22  LEU  27          HD22      LEU  27   5.968  12.904  31.391
  212   HD23  LEU  27          HD23      LEU  27   5.772  12.452  29.697
  213    H    LEU  28           H        LEU  28   4.382  17.533  29.232
  214    HA   LEU  28           HA       LEU  28   5.710  18.585  31.480
  215    HB2  LEU  28           HB2      LEU  28   5.547  19.123  28.691
  216    HB3  LEU  28           HB3      LEU  28   5.328  20.639  29.561
  217    HG   LEU  28           HG       LEU  28   7.478  19.994  30.816
  218   HD11  LEU  28          HD11      LEU  28   7.926  18.306  28.370
  219   HD12  LEU  28          HD12      LEU  28   7.406  17.633  29.914
  220   HD13  LEU  28          HD13      LEU  28   8.955  18.467  29.794
  221   HD21  LEU  28          HD21      LEU  28   7.033  21.643  28.789
  222   HD22  LEU  28          HD22      LEU  28   8.079  20.495  27.951
  223   HD23  LEU  28          HD23      LEU  28   8.658  21.327  29.395
  224    H    LEU  29           H        LEU  29   2.697  19.513  29.870
  225    HA   LEU  29           HA       LEU  29   2.183  21.809  31.425
  226    HB2  LEU  29           HB2      LEU  29   0.419  19.976  29.830
  227    HB3  LEU  29           HB3      LEU  29  -0.225  21.363  30.705
  228    HG   LEU  29           HG       LEU  29   1.840  21.506  28.509
  229   HD11  LEU  29          HD11      LEU  29  -1.025  21.257  28.419
  230   HD12  LEU  29          HD12      LEU  29   0.141  21.294  27.098
  231   HD13  LEU  29          HD13      LEU  29  -0.509  22.801  27.742
  232   HD21  LEU  29          HD21      LEU  29   1.093  23.955  28.600
  233   HD22  LEU  29          HD22      LEU  29   2.177  23.377  29.865
  234   HD23  LEU  29          HD23      LEU  29   0.454  23.563  30.196
  235    H    VAL  30           H        VAL  30   1.172  18.430  31.777
  236    HA   VAL  30           HA       VAL  30  -0.496  18.783  34.010
  237    HB   VAL  30           HB       VAL  30   1.118  16.348  33.235
  238   HG11  VAL  30          HG11      VAL  30  -0.992  16.821  35.295
  239   HG12  VAL  30          HG12      VAL  30  -0.882  15.249  34.502
  240   HG13  VAL  30          HG13      VAL  30   0.495  15.880  35.405
  241   HG21  VAL  30          HG21      VAL  30  -1.014  17.596  31.916
  242   HG22  VAL  30          HG22      VAL  30  -0.354  15.989  31.608
  243   HG23  VAL  30          HG23      VAL  30  -1.706  16.188  32.723
  244    H    TYR  31           H        TYR  31   2.955  17.990  33.779
  245    HA   TYR  31           HA       TYR  31   3.359  17.761  36.580
  246    HB2  TYR  31           HB2      TYR  31   4.827  16.920  34.588
  247    HB3  TYR  31           HB3      TYR  31   5.556  18.519  34.684
  248    HD1  TYR  31           HD1      TYR  31   4.490  15.929  37.170
  249    HD2  TYR  31           HD2      TYR  31   7.571  18.520  35.791
  250    HE1  TYR  31           HE1      TYR  31   5.953  15.145  38.985
  251    HE2  TYR  31           HE2      TYR  31   9.043  17.742  37.602
  252    HH   TYR  31           HH       TYR  31   9.144  15.469  39.044
  253    H    ARG  32           H        ARG  32   3.726  20.401  34.266
  254    HA   ARG  32           HA       ARG  32   4.968  22.240  35.996
  255    HB2  ARG  32           HB2      ARG  32   4.797  22.435  33.497
  256    HB3  ARG  32           HB3      ARG  32   3.113  22.895  33.705
  257    HG2  ARG  32           HG2      ARG  32   3.874  24.987  33.743
  258    HG3  ARG  32           HG3      ARG  32   4.399  24.625  35.388
  259    HD2  ARG  32           HD2      ARG  32   6.450  25.164  34.692
  260    HD3  ARG  32           HD3      ARG  32   6.442  23.616  33.849
  261    HE   ARG  32           HE       ARG  32   5.226  25.481  32.182
  262   HH11  ARG  32          HH11      ARG  32   8.351  24.893  33.600
  263   HH12  ARG  32          HH12      ARG  32   9.225  25.643  32.305
  264   HH21  ARG  32          HH21      ARG  32   6.365  26.471  30.471
  265   HH22  ARG  32          HH22      ARG  32   8.094  26.541  30.526
  266    H    MET  33           H        MET  33   1.564  21.575  35.306
  267    HA   MET  33           HA       MET  33   0.501  23.702  36.832
  268    HB2  MET  33           HB2      MET  33  -0.519  21.312  35.476
  269    HB3  MET  33           HB3      MET  33  -1.441  21.757  36.906
  270    HG2  MET  33           HG2      MET  33  -0.764  23.769  34.794
  271    HG3  MET  33           HG3      MET  33  -2.166  22.711  34.651
  272    HE1  MET  33           HE1      MET  33  -4.692  23.836  35.767
  273    HE2  MET  33           HE2      MET  33  -3.838  22.389  36.302
  274    HE3  MET  33           HE3      MET  33  -4.415  23.561  37.487
  275    H    ARG  34           H        ARG  34   1.829  20.645  37.696
  276    HA   ARG  34           HA       ARG  34   0.549  20.041  40.069
  277    HB2  ARG  34           HB2      ARG  34   2.376  18.729  38.865
  278    HB3  ARG  34           HB3      ARG  34   3.527  19.772  39.690
  279    HG2  ARG  34           HG2      ARG  34   2.122  18.983  41.806
  280    HG3  ARG  34           HG3      ARG  34   1.831  17.596  40.755
  281    HD2  ARG  34           HD2      ARG  34   3.769  16.853  41.630
  282    HD3  ARG  34           HD3      ARG  34   4.488  17.911  40.417
  283    HE   ARG  34           HE       ARG  34   5.229  19.271  42.100
  284   HH11  ARG  34          HH11      ARG  34   2.760  17.159  43.351
  285   HH12  ARG  34          HH12      ARG  34   2.998  17.642  44.998
  286   HH21  ARG  34          HH21      ARG  34   5.552  19.914  44.264
  287   HH22  ARG  34          HH22      ARG  34   4.586  19.210  45.516
  288    H    LYS  35           H        LYS  35   2.933  22.511  39.401
  289    HA   LYS  35           HA       LYS  35   3.822  23.150  41.935
  290    HB2  LYS  35           HB2      LYS  35   4.353  25.327  41.084
  291    HB3  LYS  35           HB3      LYS  35   4.607  24.168  39.787
  292    HG2  LYS  35           HG2      LYS  35   2.289  24.777  38.973
  293    HG3  LYS  35           HG3      LYS  35   2.352  26.123  40.113
  294    HD2  LYS  35           HD2      LYS  35   4.472  25.638  38.030
  295    HD3  LYS  35           HD3      LYS  35   3.051  26.644  37.739
  296    HE2  LYS  35           HE2      LYS  35   4.277  27.390  40.220
  297    HE3  LYS  35           HE3      LYS  35   5.487  27.388  38.938
  298    HZ1  LYS  35           HZ1      LYS  35   4.545  29.524  38.947
  299    HZ2  LYS  35           HZ2      LYS  35   2.964  28.933  39.055
  300    HZ3  LYS  35           HZ3      LYS  35   3.843  28.741  37.622
  Start of MODEL    6
    1    H1   MET   1           H        MET   1   9.747  11.299  -8.934
    2    HA   MET   1           HA       MET   1   8.657  10.985  -6.962
    3    HB2  MET   1           HB2      MET   1   6.593  12.665  -8.381
    4    HB3  MET   1           HB3      MET   1   6.389  12.111  -6.724
    5    HG2  MET   1           HG2      MET   1   8.849  13.606  -7.514
    6    HG3  MET   1           HG3      MET   1   7.348  14.468  -7.187
    7    HE1  MET   1           HE1      MET   1   8.233  15.817  -5.701
    8    HE2  MET   1           HE2      MET   1   7.459  15.467  -4.156
    9    HE3  MET   1           HE3      MET   1   9.218  15.453  -4.284
   10    H    GLU   2           H        GLU   2   8.675   8.803  -8.445
   11    HA   GLU   2           HA       GLU   2   5.927   7.747  -8.309
   12    HB2  GLU   2           HB2      GLU   2   7.217   7.879 -10.583
   13    HB3  GLU   2           HB3      GLU   2   8.062   6.464  -9.973
   14    HG2  GLU   2           HG2      GLU   2   5.999   5.244  -9.795
   15    HG3  GLU   2           HG3      GLU   2   5.074   6.675 -10.245
   16    H    GLN   3           H        GLN   3   6.839   7.613  -5.956
   17    HA   GLN   3           HA       GLN   3   7.694   4.845  -5.586
   18    HB2  GLN   3           HB2      GLN   3   9.189   7.265  -4.710
   19    HB3  GLN   3           HB3      GLN   3   9.131   5.899  -3.604
   20    HG2  GLN   3           HG2      GLN   3  10.308   4.519  -5.036
   21    HG3  GLN   3           HG3      GLN   3   9.918   5.490  -6.455
   22   HE21  GLN   3          HE21      GLN   3  11.624   5.725  -3.356
   23   HE22  GLN   3          HE22      GLN   3  12.932   6.684  -3.952
   24    H    SER   4           H        SER   4   6.538   3.847  -4.065
   25    HA   SER   4           HA       SER   4   4.616   5.396  -2.539
   26    HB2  SER   4           HB2      SER   4   3.969   3.288  -3.718
   27    HB3  SER   4           HB3      SER   4   5.006   2.395  -2.606
   28    HG   SER   4           HG       SER   4   2.640   2.652  -2.107
   29    H    THR   5           H        THR   5   7.384   3.285  -1.953
   30    HA   THR   5           HA       THR   5   7.261   3.003   0.787
   31    HB   THR   5           HB       THR   5   9.908   3.548  -0.509
   32    HG1  THR   5           HG1      THR   5   9.693   1.192  -1.121
   33   HG21  THR   5          HG21      THR   5   9.807   2.942   1.874
   34   HG22  THR   5          HG22      THR   5  10.631   1.709   0.919
   35   HG23  THR   5          HG23      THR   5   8.970   1.450   1.450
   36    H    GLU   6           H        GLU   6   8.563   5.710  -1.088
   37    HA   GLU   6           HA       GLU   6   9.674   7.171   1.016
   38    HB2  GLU   6           HB2      GLU   6   9.218   7.554  -1.740
   39    HB3  GLU   6           HB3      GLU   6   8.490   8.933  -0.928
   40    HG2  GLU   6           HG2      GLU   6  10.672   9.214   0.299
   41    HG3  GLU   6           HG3      GLU   6  11.347   8.019  -0.807
   42    H    VAL   7           H        VAL   7   6.400   7.284  -0.355
   43    HA   VAL   7           HA       VAL   7   5.406   9.340   1.279
   44    HB   VAL   7           HB       VAL   7   3.854   7.039   0.085
   45   HG11  VAL   7          HG11      VAL   7   2.177   7.944   1.256
   46   HG12  VAL   7          HG12      VAL   7   3.095   9.408   1.612
   47   HG13  VAL   7          HG13      VAL   7   2.238   9.254   0.078
   48   HG21  VAL   7          HG21      VAL   7   3.377   9.065  -1.586
   49   HG22  VAL   7          HG22      VAL   7   5.006   9.509  -1.076
   50   HG23  VAL   7          HG23      VAL   7   4.712   7.936  -1.818
   51    H    LEU   8           H        LEU   8   5.372   5.816   1.687
   52    HA   LEU   8           HA       LEU   8   3.866   5.749   4.056
   53    HB2  LEU   8           HB2      LEU   8   5.332   3.913   2.431
   54    HB3  LEU   8           HB3      LEU   8   5.745   3.640   4.123
   55    HG   LEU   8           HG       LEU   8   3.034   3.756   4.258
   56   HD11  LEU   8          HD11      LEU   8   2.363   2.148   2.364
   57   HD12  LEU   8          HD12      LEU   8   3.793   2.763   1.537
   58   HD13  LEU   8          HD13      LEU   8   2.500   3.869   2.000
   59   HD21  LEU   8          HD21      LEU   8   3.183   1.571   4.889
   60   HD22  LEU   8          HD22      LEU   8   4.892   2.003   4.950
   61   HD23  LEU   8          HD23      LEU   8   4.249   1.139   3.552
   62    H    ALA   9           H        ALA   9   7.363   5.934   3.514
   63    HA   ALA   9           HA       ALA   9   8.164   5.763   6.198
   64    HB1  ALA   9           HB1      ALA   9   9.501   7.152   3.879
   65    HB2  ALA   9           HB2      ALA   9  10.264   6.813   5.433
   66    HB3  ALA   9           HB3      ALA   9   9.747   5.483   4.395
   67    H    ALA  10           H        ALA  10   7.350   8.565   4.186
   68    HA   ALA  10           HA       ALA  10   7.996  10.548   6.076
   69    HB1  ALA  10           HB1      ALA  10   5.762  11.101   4.228
   70    HB2  ALA  10           HB2      ALA  10   7.232  12.024   4.545
   71    HB3  ALA  10           HB3      ALA  10   7.287  10.612   3.489
   72    H    VAL  11           H        VAL  11   4.962   8.848   5.389
   73    HA   VAL  11           HA       VAL  11   3.334  10.287   7.173
   74    HB   VAL  11           HB       VAL  11   3.047   7.414   6.280
   75   HG11  VAL  11          HG11      VAL  11   0.660   7.734   6.811
   76   HG12  VAL  11          HG12      VAL  11   1.693   7.858   8.237
   77   HG13  VAL  11          HG13      VAL  11   1.043   9.317   7.488
   78   HG21  VAL  11          HG21      VAL  11   2.330   8.153   4.305
   79   HG22  VAL  11          HG22      VAL  11   1.272   9.345   5.058
   80   HG23  VAL  11          HG23      VAL  11   2.965   9.736   4.755
   81    H    ILE  12           H        ILE  12   5.217   7.313   7.599
   82    HA   ILE  12           HA       ILE  12   4.389   6.751  10.227
   83    HB   ILE  12           HB       ILE  12   6.939   6.038   8.781
   84   HG12  ILE  12          HG12      ILE  12   4.810   5.098   7.895
   85   HG13  ILE  12          HG13      ILE  12   5.908   3.864   8.502
   86   HG21  ILE  12          HG21      ILE  12   6.118   5.601  11.574
   87   HG22  ILE  12          HG22      ILE  12   6.747   4.186  10.732
   88   HG23  ILE  12          HG23      ILE  12   7.727   5.647  10.855
   89   HD11  ILE  12          HD11      ILE  12   3.236   4.175   9.142
   90   HD12  ILE  12          HD12      ILE  12   4.408   3.144   9.964
   91   HD13  ILE  12          HD13      ILE  12   4.099   4.776  10.558
   92    H    ALA  13           H        ALA  13   7.228   8.510   9.007
   93    HA   ALA  13           HA       ALA  13   8.378   9.095  11.496
   94    HB1  ALA  13           HB1      ALA  13   9.749   9.404   9.625
   95    HB2  ALA  13           HB2      ALA  13   8.560  10.421   8.809
   96    HB3  ALA  13           HB3      ALA  13   9.432  11.037  10.213
   97    H    GLY  14           H        GLY  14   6.014  10.882   9.548
   98    HA2  GLY  14           HA2      GLY  14   5.903  13.179  11.186
   99    HA3  GLY  14           HA3      GLY  14   4.657  12.662  10.059
  100    H    GLY  15           H        GLY  15   4.098  10.140  11.263
  101    HA2  GLY  15           HA2      GLY  15   2.222  10.975  13.229
  102    HA3  GLY  15           HA3      GLY  15   2.580   9.314  12.781
  103    H    VAL  16           H        VAL  16   5.314   9.259  13.426
  104    HA   VAL  16           HA       VAL  16   5.178   8.707  16.196
  105    HB   VAL  16           HB       VAL  16   7.642   9.020  14.475
  106   HG11  VAL  16          HG11      VAL  16   7.188   8.173  17.270
  107   HG12  VAL  16          HG12      VAL  16   8.326   7.209  16.326
  108   HG13  VAL  16          HG13      VAL  16   8.592   8.941  16.529
  109   HG21  VAL  16          HG21      VAL  16   5.581   7.139  14.278
  110   HG22  VAL  16          HG22      VAL  16   7.176   7.061  13.529
  111   HG23  VAL  16          HG23      VAL  16   6.903   6.310  15.101
  112    H    ILE  17           H        ILE  17   6.717  11.329  14.362
  113    HA   ILE  17           HA       ILE  17   7.853  12.647  16.579
  114    HB   ILE  17           HB       ILE  17   6.993  13.815  13.929
  115   HG12  ILE  17          HG12      ILE  17   9.797  13.078  14.727
  116   HG13  ILE  17          HG13      ILE  17   8.714  11.876  14.033
  117   HG21  ILE  17          HG21      ILE  17   7.327  15.714  15.140
  118   HG22  ILE  17          HG22      ILE  17   8.431  14.933  16.271
  119   HG23  ILE  17          HG23      ILE  17   8.994  15.392  14.664
  120   HD11  ILE  17          HD11      ILE  17   9.959  12.694  12.236
  121   HD12  ILE  17          HD12      ILE  17   8.401  13.512  12.112
  122   HD13  ILE  17          HD13      ILE  17   9.796  14.367  12.770
  123    H    GLY  18           H        GLY  18   4.766  13.114  14.884
  124    HA2  GLY  18           HA2      GLY  18   3.897  15.337  16.382
  125    HA3  GLY  18           HA3      GLY  18   2.858  14.238  15.488
  126    H    PHE  19           H        PHE  19   3.380  11.862  16.856
  127    HA   PHE  19           HA       PHE  19   1.617  12.107  19.042
  128    HB2  PHE  19           HB2      PHE  19   2.225  10.039  17.555
  129    HB3  PHE  19           HB3      PHE  19   3.474   9.771  18.766
  130    HD1  PHE  19           HD1      PHE  19   2.962   8.360  20.494
  131    HD2  PHE  19           HD2      PHE  19  -0.174  10.550  18.627
  132    HE1  PHE  19           HE1      PHE  19   1.320   7.234  21.939
  133    HE2  PHE  19           HE2      PHE  19  -1.821   9.428  20.070
  134    HZ   PHE  19           HZ       PHE  19  -1.075   7.768  21.729
  135    H    LEU  20           H        LEU  20   5.133  11.750  18.857
  136    HA   LEU  20           HA       LEU  20   5.597  11.540  21.629
  137    HB2  LEU  20           HB2      LEU  20   7.149  11.153  19.545
  138    HB3  LEU  20           HB3      LEU  20   7.582  12.839  19.823
  139    HG   LEU  20           HG       LEU  20   8.206  12.173  22.174
  140   HD11  LEU  20          HD11      LEU  20   6.861   9.933  21.796
  141   HD12  LEU  20          HD12      LEU  20   8.263  10.002  22.863
  142   HD13  LEU  20          HD13      LEU  20   8.432   9.367  21.226
  143   HD21  LEU  20          HD21      LEU  20   9.647  11.112  19.762
  144   HD22  LEU  20          HD22      LEU  20  10.323  10.986  21.386
  145   HD23  LEU  20          HD23      LEU  20   9.980  12.572  20.694
  146    H    PHE  21           H        PHE  21   5.348  14.304  19.460
  147    HA   PHE  21           HA       PHE  21   6.200  16.249  21.345
  148    HB2  PHE  21           HB2      PHE  21   5.567  16.228  18.630
  149    HB3  PHE  21           HB3      PHE  21   4.349  17.274  19.354
  150    HD1  PHE  21           HD1      PHE  21   8.031  16.699  19.388
  151    HD2  PHE  21           HD2      PHE  21   4.838  19.501  19.658
  152    HE1  PHE  21           HE1      PHE  21   9.658  18.543  19.448
  153    HE2  PHE  21           HE2      PHE  21   6.460  21.349  19.717
  154    HZ   PHE  21           HZ       PHE  21   8.874  20.872  19.611
  155    H    ALA  22           H        ALA  22   3.032  15.020  20.371
  156    HA   ALA  22           HA       ALA  22   1.466  16.818  21.864
  157    HB1  ALA  22           HB1      ALA  22   1.038  14.261  20.477
  158    HB2  ALA  22           HB2      ALA  22  -0.089  14.605  21.790
  159    HB3  ALA  22           HB3      ALA  22   0.082  15.744  20.454
  160    H    ILE  23           H        ILE  23   2.708  13.584  22.657
  161    HA   ILE  23           HA       ILE  23   1.543  13.463  25.235
  162    HB   ILE  23           HB       ILE  23   2.307  11.454  24.054
  163   HG12  ILE  23          HG12      ILE  23   4.095  11.299  26.367
  164   HG13  ILE  23          HG13      ILE  23   2.526  11.998  26.751
  165   HG21  ILE  23          HG21      ILE  23   4.690  10.922  23.913
  166   HG22  ILE  23          HG22      ILE  23   4.301  12.382  23.004
  167   HG23  ILE  23          HG23      ILE  23   5.084  12.506  24.580
  168   HD11  ILE  23          HD11      ILE  23   1.552   9.963  25.535
  169   HD12  ILE  23          HD12      ILE  23   3.165   9.270  25.709
  170   HD13  ILE  23          HD13      ILE  23   2.244   9.731  27.140
  171    H    PHE  24           H        PHE  24   4.595  14.702  24.022
  172    HA   PHE  24           HA       PHE  24   5.825  15.042  26.565
  173    HB2  PHE  24           HB2      PHE  24   6.431  15.726  23.773
  174    HB3  PHE  24           HB3      PHE  24   7.054  16.883  24.944
  175    HD1  PHE  24           HD1      PHE  24   8.057  14.284  23.066
  176    HD2  PHE  24           HD2      PHE  24   7.959  15.422  27.166
  177    HE1  PHE  24           HE1      PHE  24   9.957  12.788  23.523
  178    HE2  PHE  24           HE2      PHE  24   9.859  13.930  27.629
  179    HZ   PHE  24           HZ       PHE  24  10.861  12.610  25.807
  180    H    LEU  25           H        LEU  25   3.879  17.110  24.477
  181    HA   LEU  25           HA       LEU  25   4.226  19.495  25.965
  182    HB2  LEU  25           HB2      LEU  25   2.618  18.574  23.725
  183    HB3  LEU  25           HB3      LEU  25   1.748  19.703  24.762
  184    HG   LEU  25           HG       LEU  25   4.035  21.068  24.453
  185   HD11  LEU  25          HD11      LEU  25   5.214  19.637  23.032
  186   HD12  LEU  25          HD12      LEU  25   4.547  20.865  21.957
  187   HD13  LEU  25          HD13      LEU  25   3.787  19.277  22.059
  188   HD21  LEU  25          HD21      LEU  25   1.753  21.029  22.480
  189   HD22  LEU  25          HD22      LEU  25   2.881  22.360  22.740
  190   HD23  LEU  25          HD23      LEU  25   1.767  21.883  24.023
  191    H    ILE  26           H        ILE  26   1.695  17.007  25.975
  192    HA   ILE  26           HA       ILE  26   0.064  18.231  27.926
  193    HB   ILE  26           HB       ILE  26  -0.826  16.486  26.503
  194   HG12  ILE  26          HG12      ILE  26  -1.929  15.091  28.217
  195   HG13  ILE  26          HG13      ILE  26  -0.744  15.625  29.404
  196   HG21  ILE  26          HG21      ILE  26   0.952  14.540  27.962
  197   HG22  ILE  26          HG22      ILE  26  -0.139  14.197  26.621
  198   HG23  ILE  26          HG23      ILE  26   1.297  15.186  26.358
  199   HD11  ILE  26          HD11      ILE  26  -3.140  16.740  29.156
  200   HD12  ILE  26          HD12      ILE  26  -1.715  17.650  29.659
  201   HD13  ILE  26          HD13      ILE  26  -2.263  17.725  27.985
  202    H    LEU  27           H        LEU  27   2.645  15.815  28.161
  203    HA   LEU  27           HA       LEU  27   2.402  15.308  30.916
  204    HB2  LEU  27           HB2      LEU  27   4.359  14.789  28.801
  205    HB3  LEU  27           HB3      LEU  27   5.063  14.937  30.410
  206    HG   LEU  27           HG       LEU  27   3.744  13.104  31.221
  207   HD11  LEU  27          HD11      LEU  27   2.173  11.897  29.822
  208   HD12  LEU  27          HD12      LEU  27   2.471  13.013  28.490
  209   HD13  LEU  27          HD13      LEU  27   1.694  13.588  29.965
  210   HD21  LEU  27          HD21      LEU  27   5.092  11.555  30.339
  211   HD22  LEU  27          HD22      LEU  27   5.755  12.874  29.373
  212   HD23  LEU  27          HD23      LEU  27   4.496  11.836  28.703
  213    H    LEU  28           H        LEU  28   4.344  17.662  29.120
  214    HA   LEU  28           HA       LEU  28   5.761  18.689  31.327
  215    HB2  LEU  28           HB2      LEU  28   6.057  19.016  28.742
  216    HB3  LEU  28           HB3      LEU  28   5.025  20.419  29.011
  217    HG   LEU  28           HG       LEU  28   7.387  21.031  28.984
  218   HD11  LEU  28          HD11      LEU  28   6.549  21.296  31.837
  219   HD12  LEU  28          HD12      LEU  28   5.592  22.056  30.566
  220   HD13  LEU  28          HD13      LEU  28   7.290  22.486  30.766
  221   HD21  LEU  28          HD21      LEU  28   7.954  18.686  30.069
  222   HD22  LEU  28          HD22      LEU  28   7.876  19.628  31.558
  223   HD23  LEU  28          HD23      LEU  28   9.006  20.086  30.283
  224    H    LEU  29           H        LEU  29   2.709  19.656  29.815
  225    HA   LEU  29           HA       LEU  29   2.268  21.954  31.385
  226    HB2  LEU  29           HB2      LEU  29   0.856  20.430  29.408
  227    HB3  LEU  29           HB3      LEU  29  -0.233  20.843  30.731
  228    HG   LEU  29           HG       LEU  29   1.299  23.146  29.907
  229   HD11  LEU  29          HD11      LEU  29   0.062  23.358  27.697
  230   HD12  LEU  29          HD12      LEU  29  -0.176  21.613  27.787
  231   HD13  LEU  29          HD13      LEU  29   1.457  22.279  27.731
  232   HD21  LEU  29          HD21      LEU  29  -1.197  23.829  29.408
  233   HD22  LEU  29          HD22      LEU  29  -0.606  23.661  31.061
  234   HD23  LEU  29          HD23      LEU  29  -1.540  22.359  30.322
  235    H    VAL  30           H        VAL  30   1.235  18.586  31.779
  236    HA   VAL  30           HA       VAL  30  -0.342  18.963  34.074
  237    HB   VAL  30           HB       VAL  30   1.202  16.508  33.227
  238   HG11  VAL  30          HG11      VAL  30   0.667  16.187  35.493
  239   HG12  VAL  30          HG12      VAL  30  -0.922  16.933  35.310
  240   HG13  VAL  30          HG13      VAL  30  -0.602  15.350  34.599
  241   HG21  VAL  30          HG21      VAL  30  -1.689  16.517  32.878
  242   HG22  VAL  30          HG22      VAL  30  -0.876  17.758  31.924
  243   HG23  VAL  30          HG23      VAL  30  -0.414  16.065  31.747
  244    H    TYR  31           H        TYR  31   3.085  18.119  33.710
  245    HA   TYR  31           HA       TYR  31   3.607  17.860  36.482
  246    HB2  TYR  31           HB2      TYR  31   5.006  17.007  34.499
  247    HB3  TYR  31           HB3      TYR  31   5.670  18.635  34.430
  248    HD1  TYR  31           HD1      TYR  31   6.980  19.514  36.353
  249    HD2  TYR  31           HD2      TYR  31   5.697  15.462  36.174
  250    HE1  TYR  31           HE1      TYR  31   8.618  18.925  38.091
  251    HE2  TYR  31           HE2      TYR  31   7.331  14.861  37.912
  252    HH   TYR  31           HH       TYR  31   9.869  16.505  38.695
  253    H    ARG  32           H        ARG  32   3.753  20.558  34.231
  254    HA   ARG  32           HA       ARG  32   5.123  22.382  35.869
  255    HB2  ARG  32           HB2      ARG  32   3.653  22.447  33.375
  256    HB3  ARG  32           HB3      ARG  32   3.322  23.881  34.338
  257    HG2  ARG  32           HG2      ARG  32   5.881  24.037  34.585
  258    HG3  ARG  32           HG3      ARG  32   5.923  22.926  33.215
  259    HD2  ARG  32           HD2      ARG  32   5.076  24.473  31.759
  260    HD3  ARG  32           HD3      ARG  32   4.186  25.329  33.018
  261    HE   ARG  32           HE       ARG  32   6.871  25.714  33.555
  262   HH11  ARG  32          HH11      ARG  32   4.643  26.437  30.980
  263   HH12  ARG  32          HH12      ARG  32   5.483  27.867  30.479
  264   HH21  ARG  32          HH21      ARG  32   7.986  27.595  32.905
  265   HH22  ARG  32          HH22      ARG  32   7.385  28.524  31.574
  266    H    MET  33           H        MET  33   1.684  21.623  35.564
  267    HA   MET  33           HA       MET  33   0.714  23.681  37.221
  268    HB2  MET  33           HB2      MET  33  -0.363  21.485  35.796
  269    HB3  MET  33           HB3      MET  33  -0.916  21.332  37.459
  270    HG2  MET  33           HG2      MET  33  -2.546  22.574  36.269
  271    HG3  MET  33           HG3      MET  33  -1.702  23.691  37.340
  272    HE1  MET  33           HE1      MET  33  -2.354  25.995  35.989
  273    HE2  MET  33           HE2      MET  33  -2.573  25.908  34.241
  274    HE3  MET  33           HE3      MET  33  -3.479  24.825  35.299
  275    H    ARG  34           H        ARG  34   2.320  20.719  37.929
  276    HA   ARG  34           HA       ARG  34   1.382  20.138  40.483
  277    HB2  ARG  34           HB2      ARG  34   3.180  18.980  38.887
  278    HB3  ARG  34           HB3      ARG  34   4.293  19.831  39.950
  279    HG2  ARG  34           HG2      ARG  34   4.046  17.689  40.871
  280    HG3  ARG  34           HG3      ARG  34   3.062  18.751  41.880
  281    HD2  ARG  34           HD2      ARG  34   1.055  17.999  40.870
  282    HD3  ARG  34           HD3      ARG  34   1.931  17.185  39.575
  283    HE   ARG  34           HE       ARG  34   2.700  16.082  42.041
  284   HH11  ARG  34          HH11      ARG  34  -0.042  16.224  39.901
  285   HH12  ARG  34          HH12      ARG  34  -0.672  14.688  40.395
  286   HH21  ARG  34          HH21      ARG  34   1.880  14.058  42.700
  287   HH22  ARG  34          HH22      ARG  34   0.421  13.457  41.988
  288    H    LYS  35           H        LYS  35   3.631  22.584  39.394
  289    HA   LYS  35           HA       LYS  35   4.876  23.272  41.774
  290    HB2  LYS  35           HB2      LYS  35   5.388  25.368  40.772
  291    HB3  LYS  35           HB3      LYS  35   5.363  24.184  39.471
  292    HG2  LYS  35           HG2      LYS  35   2.897  24.948  39.178
  293    HG3  LYS  35           HG3      LYS  35   3.427  26.372  40.075
  294    HD2  LYS  35           HD2      LYS  35   5.085  25.450  37.782
  295    HD3  LYS  35           HD3      LYS  35   3.560  26.269  37.437
  296    HE2  LYS  35           HE2      LYS  35   4.253  28.197  38.697
  297    HE3  LYS  35           HE3      LYS  35   5.713  27.370  39.238
  298    HZ1  LYS  35           HZ1      LYS  35   5.088  28.047  36.415
  299    HZ2  LYS  35           HZ2      LYS  35   6.511  27.325  36.977
  300    HZ3  LYS  35           HZ3      LYS  35   6.142  28.918  37.412
  Start of MODEL    7
    1    H1   MET   1           H        MET   1  13.718   9.275  -7.074
    2    HA   MET   1           HA       MET   1  12.390   7.242  -7.579
    3    HB2  MET   1           HB2      MET   1  12.991   5.178  -6.466
    4    HB3  MET   1           HB3      MET   1  14.367   5.763  -7.392
    5    HG2  MET   1           HG2      MET   1  15.597   5.557  -5.570
    6    HG3  MET   1           HG3      MET   1  14.669   6.873  -4.855
    7    HE1  MET   1           HE1      MET   1  14.788   3.232  -5.680
    8    HE2  MET   1           HE2      MET   1  14.159   2.389  -4.264
    9    HE3  MET   1           HE3      MET   1  13.046   3.062  -5.456
   10    H    GLU   2           H        GLU   2  10.554   6.947  -6.390
   11    HA   GLU   2           HA       GLU   2  10.597   7.859  -3.593
   12    HB2  GLU   2           HB2      GLU   2   8.797   8.729  -5.827
   13    HB3  GLU   2           HB3      GLU   2   8.202   8.732  -4.172
   14    HG2  GLU   2           HG2      GLU   2   9.496  10.481  -3.558
   15    HG3  GLU   2           HG3      GLU   2  10.808  10.039  -4.649
   16    H    GLN   3           H        GLN   3   8.033   6.688  -5.759
   17    HA   GLN   3           HA       GLN   3   6.635   4.896  -5.643
   18    HB2  GLN   3           HB2      GLN   3   9.143   3.893  -4.952
   19    HB3  GLN   3           HB3      GLN   3   8.071   3.294  -3.693
   20    HG2  GLN   3           HG2      GLN   3   6.795   2.067  -5.176
   21    HG3  GLN   3           HG3      GLN   3   7.304   3.026  -6.565
   22   HE21  GLN   3          HE21      GLN   3   7.847   1.145  -7.698
   23   HE22  GLN   3          HE22      GLN   3   9.282   0.253  -7.340
   24    H    SER   4           H        SER   4   5.837   3.224  -3.656
   25    HA   SER   4           HA       SER   4   4.314   4.968  -1.996
   26    HB2  SER   4           HB2      SER   4   3.415   2.875  -1.017
   27    HB3  SER   4           HB3      SER   4   3.372   2.859  -2.780
   28    HG   SER   4           HG       SER   4   5.270   1.594  -2.741
   29    H    THR   5           H        THR   5   7.318   3.312  -1.641
   30    HA   THR   5           HA       THR   5   7.451   3.110   1.160
   31    HB   THR   5           HB       THR   5   9.047   1.924  -0.216
   32    HG1  THR   5           HG1      THR   5   9.956   2.311   1.733
   33   HG21  THR   5          HG21      THR   5  10.255   4.590  -0.947
   34   HG22  THR   5          HG22      THR   5   9.171   3.683  -2.002
   35   HG23  THR   5          HG23      THR   5  10.727   2.997  -1.537
   36    H    GLU   6           H        GLU   6   8.385   5.710  -1.055
   37    HA   GLU   6           HA       GLU   6   9.602   7.393   0.827
   38    HB2  GLU   6           HB2      GLU   6   8.814   7.535  -1.920
   39    HB3  GLU   6           HB3      GLU   6   8.297   9.006  -1.107
   40    HG2  GLU   6           HG2      GLU   6  11.087   7.896  -1.258
   41    HG3  GLU   6           HG3      GLU   6  10.472   9.359  -2.026
   42    H    VAL   7           H        VAL   7   6.258   7.386  -0.397
   43    HA   VAL   7           HA       VAL   7   5.349   9.475   1.275
   44    HB   VAL   7           HB       VAL   7   4.096   8.901  -0.703
   45   HG11  VAL   7          HG11      VAL   7   3.472   6.256   0.606
   46   HG12  VAL   7          HG12      VAL   7   2.932   6.808  -0.981
   47   HG13  VAL   7          HG13      VAL   7   4.642   6.484  -0.693
   48   HG21  VAL   7          HG21      VAL   7   2.207   8.022   1.416
   49   HG22  VAL   7          HG22      VAL   7   2.983   9.595   1.599
   50   HG23  VAL   7          HG23      VAL   7   2.013   9.252   0.166
   51    H    LEU   8           H        LEU   8   5.287   5.949   1.603
   52    HA   LEU   8           HA       LEU   8   3.774   5.840   3.971
   53    HB2  LEU   8           HB2      LEU   8   5.683   3.999   2.605
   54    HB3  LEU   8           HB3      LEU   8   5.144   3.621   4.240
   55    HG   LEU   8           HG       LEU   8   3.264   4.058   1.924
   56   HD11  LEU   8          HD11      LEU   8   3.133   1.722   1.623
   57   HD12  LEU   8          HD12      LEU   8   4.101   1.404   3.062
   58   HD13  LEU   8          HD13      LEU   8   4.853   2.114   1.633
   59   HD21  LEU   8          HD21      LEU   8   2.857   2.766   4.619
   60   HD22  LEU   8          HD22      LEU   8   1.636   3.001   3.368
   61   HD23  LEU   8          HD23      LEU   8   2.342   4.396   4.185
   62    H    ALA   9           H        ALA   9   7.276   5.976   3.429
   63    HA   ALA   9           HA       ALA   9   8.059   5.759   6.119
   64    HB1  ALA   9           HB1      ALA   9   9.552   7.296   4.008
   65    HB2  ALA   9           HB2      ALA   9  10.207   6.460   5.417
   66    HB3  ALA   9           HB3      ALA   9   9.526   5.533   4.080
   67    H    ALA  10           H        ALA  10   7.341   8.590   4.111
   68    HA   ALA  10           HA       ALA  10   8.042  10.550   6.003
   69    HB1  ALA  10           HB1      ALA  10   7.825  11.459   3.920
   70    HB2  ALA  10           HB2      ALA  10   6.396  10.502   3.528
   71    HB3  ALA  10           HB3      ALA  10   6.258  11.895   4.601
   72    H    VAL  11           H        VAL  11   4.963   8.932   5.322
   73    HA   VAL  11           HA       VAL  11   3.382  10.418   7.114
   74    HB   VAL  11           HB       VAL  11   3.009   7.572   6.171
   75   HG11  VAL  11          HG11      VAL  11   1.606   7.743   8.015
   76   HG12  VAL  11          HG12      VAL  11   1.246   9.444   7.708
   77   HG13  VAL  11          HG13      VAL  11   0.555   8.194   6.673
   78   HG21  VAL  11          HG21      VAL  11   1.248   9.565   5.040
   79   HG22  VAL  11          HG22      VAL  11   2.941   9.945   4.721
   80   HG23  VAL  11          HG23      VAL  11   2.280   8.385   4.230
   81    H    ILE  12           H        ILE  12   5.165   7.380   7.515
   82    HA   ILE  12           HA       ILE  12   4.322   6.824  10.139
   83    HB   ILE  12           HB       ILE  12   6.843   6.043   8.679
   84   HG12  ILE  12          HG12      ILE  12   4.678   5.169   7.809
   85   HG13  ILE  12          HG13      ILE  12   5.747   3.902   8.399
   86   HG21  ILE  12          HG21      ILE  12   5.930   5.451  11.453
   87   HG22  ILE  12          HG22      ILE  12   6.796   4.210  10.549
   88   HG23  ILE  12          HG23      ILE  12   7.553   5.775  10.846
   89   HD11  ILE  12          HD11      ILE  12   3.450   3.499   9.064
   90   HD12  ILE  12          HD12      ILE  12   4.469   3.794  10.474
   91   HD13  ILE  12          HD13      ILE  12   3.398   5.063   9.878
   92    H    ALA  13           H        ALA  13   7.214   8.505   8.933
   93    HA   ALA  13           HA       ALA  13   8.380   9.035  11.426
   94    HB1  ALA  13           HB1      ALA  13   8.610  10.343   8.739
   95    HB2  ALA  13           HB2      ALA  13   9.475  10.971  10.143
   96    HB3  ALA  13           HB3      ALA  13   9.778   9.326   9.583
   97    H    GLY  14           H        GLY  14   6.076  10.909   9.490
   98    HA2  GLY  14           HA2      GLY  14   6.036  13.197  11.144
   99    HA3  GLY  14           HA3      GLY  14   4.775  12.727  10.013
  100    H    GLY  15           H        GLY  15   4.136  10.215  11.199
  101    HA2  GLY  15           HA2      GLY  15   2.287  11.095  13.170
  102    HA3  GLY  15           HA3      GLY  15   2.593   9.427  12.711
  103    H    VAL  16           H        VAL  16   5.323   9.282  13.357
  104    HA   VAL  16           HA       VAL  16   5.168   8.715  16.123
  105    HB   VAL  16           HB       VAL  16   7.638   8.960  14.399
  106   HG11  VAL  16          HG11      VAL  16   7.156   8.031  17.181
  107   HG12  VAL  16          HG12      VAL  16   8.348   7.169  16.207
  108   HG13  VAL  16          HG13      VAL  16   8.532   8.898  16.501
  109   HG21  VAL  16          HG21      VAL  16   6.971   7.102  13.382
  110   HG22  VAL  16          HG22      VAL  16   6.976   6.267  14.936
  111   HG23  VAL  16          HG23      VAL  16   5.507   7.059  14.366
  112    H    ILE  17           H        ILE  17   6.790  11.300  14.308
  113    HA   ILE  17           HA       ILE  17   7.967  12.566  16.533
  114    HB   ILE  17           HB       ILE  17   7.143  13.779  13.892
  115   HG12  ILE  17          HG12      ILE  17   9.923  12.950  14.682
  116   HG13  ILE  17          HG13      ILE  17   8.804  11.786  13.982
  117   HG21  ILE  17          HG21      ILE  17   7.657  15.713  14.878
  118   HG22  ILE  17          HG22      ILE  17   8.355  14.907  16.281
  119   HG23  ILE  17          HG23      ILE  17   9.331  15.161  14.835
  120   HD11  ILE  17          HD11      ILE  17   9.993  12.538  12.154
  121   HD12  ILE  17          HD12      ILE  17   8.538  13.533  12.102
  122   HD13  ILE  17          HD13      ILE  17  10.041  14.201  12.739
  123    H    GLY  18           H        GLY  18   4.895  13.142  14.843
  124    HA2  GLY  18           HA2      GLY  18   4.098  15.379  16.360
  125    HA3  GLY  18           HA3      GLY  18   3.025  14.322  15.455
  126    H    PHE  19           H        PHE  19   3.471  11.918  16.802
  127    HA   PHE  19           HA       PHE  19   1.713  12.198  18.988
  128    HB2  PHE  19           HB2      PHE  19   2.292  10.123  17.477
  129    HB3  PHE  19           HB3      PHE  19   3.492   9.806  18.725
  130    HD1  PHE  19           HD1      PHE  19  -0.050  10.983  18.773
  131    HD2  PHE  19           HD2      PHE  19   2.806   8.134  20.130
  132    HE1  PHE  19           HE1      PHE  19  -1.780   9.913  20.157
  133    HE2  PHE  19           HE2      PHE  19   1.081   7.059  21.515
  134    HZ   PHE  19           HZ       PHE  19  -1.216   7.947  21.529
  135    H    LEU  20           H        LEU  20   5.218  11.747  18.804
  136    HA   LEU  20           HA       LEU  20   5.672  11.495  21.574
  137    HB2  LEU  20           HB2      LEU  20   7.277  11.916  19.161
  138    HB3  LEU  20           HB3      LEU  20   7.975  12.614  20.622
  139    HG   LEU  20           HG       LEU  20   7.689  10.308  21.667
  140   HD11  LEU  20          HD11      LEU  20   7.167   8.483  20.410
  141   HD12  LEU  20          HD12      LEU  20   7.742   9.210  18.910
  142   HD13  LEU  20          HD13      LEU  20   6.184   9.690  19.582
  143   HD21  LEU  20          HD21      LEU  20   9.622   9.674  19.691
  144   HD22  LEU  20          HD22      LEU  20   9.880  10.269  21.331
  145   HD23  LEU  20          HD23      LEU  20   9.705  11.409  19.997
  146    H    PHE  21           H        PHE  21   5.542  14.290  19.427
  147    HA   PHE  21           HA       PHE  21   6.432  16.189  21.335
  148    HB2  PHE  21           HB2      PHE  21   5.564  16.197  18.605
  149    HB3  PHE  21           HB3      PHE  21   4.710  17.465  19.478
  150    HD1  PHE  21           HD1      PHE  21   5.672  19.526  19.268
  151    HD2  PHE  21           HD2      PHE  21   8.186  16.097  19.467
  152    HE1  PHE  21           HE1      PHE  21   7.654  20.974  19.104
  153    HE2  PHE  21           HE2      PHE  21  10.172  17.540  19.304
  154    HZ   PHE  21           HZ       PHE  21   9.908  19.982  19.123
  155    H    ALA  22           H        ALA  22   3.223  15.092  20.325
  156    HA   ALA  22           HA       ALA  22   1.719  16.911  21.854
  157    HB1  ALA  22           HB1      ALA  22   0.078  14.768  21.727
  158    HB2  ALA  22           HB2      ALA  22   0.307  15.918  20.409
  159    HB3  ALA  22           HB3      ALA  22   1.200  14.397  20.417
  160    H    ILE  23           H        ILE  23   2.911  13.653  22.590
  161    HA   ILE  23           HA       ILE  23   1.697  13.454  25.136
  162    HB   ILE  23           HB       ILE  23   4.166  12.059  24.095
  163   HG12  ILE  23          HG12      ILE  23   1.426  10.853  24.316
  164   HG13  ILE  23          HG13      ILE  23   1.855  11.819  22.908
  165   HG21  ILE  23          HG21      ILE  23   2.801  11.992  26.667
  166   HG22  ILE  23          HG22      ILE  23   2.972  10.401  25.929
  167   HG23  ILE  23          HG23      ILE  23   4.398  11.397  26.216
  168   HD11  ILE  23          HD11      ILE  23   2.856  10.075  22.000
  169   HD12  ILE  23          HD12      ILE  23   3.931   9.935  23.392
  170   HD13  ILE  23          HD13      ILE  23   2.380   9.096  23.387
  171    H    PHE  24           H        PHE  24   4.815  14.681  24.048
  172    HA   PHE  24           HA       PHE  24   5.957  15.000  26.620
  173    HB2  PHE  24           HB2      PHE  24   6.707  15.523  23.902
  174    HB3  PHE  24           HB3      PHE  24   7.049  16.948  24.877
  175    HD1  PHE  24           HD1      PHE  24   8.537  14.197  23.585
  176    HD2  PHE  24           HD2      PHE  24   8.022  16.123  27.346
  177    HE1  PHE  24           HE1      PHE  24  10.595  13.130  24.410
  178    HE2  PHE  24           HE2      PHE  24  10.080  15.060  28.176
  179    HZ   PHE  24           HZ       PHE  24  11.370  13.562  26.708
  180    H    LEU  25           H        LEU  25   4.083  17.134  24.523
  181    HA   LEU  25           HA       LEU  25   4.352  19.460  26.116
  182    HB2  LEU  25           HB2      LEU  25   2.931  18.649  23.741
  183    HB3  LEU  25           HB3      LEU  25   1.903  19.631  24.783
  184    HG   LEU  25           HG       LEU  25   3.017  20.995  23.102
  185   HD11  LEU  25          HD11      LEU  25   4.234  21.543  25.799
  186   HD12  LEU  25          HD12      LEU  25   2.546  21.866  25.403
  187   HD13  LEU  25          HD13      LEU  25   3.832  22.707  24.536
  188   HD21  LEU  25          HD21      LEU  25   5.691  20.855  24.208
  189   HD22  LEU  25          HD22      LEU  25   5.157  20.770  22.529
  190   HD23  LEU  25          HD23      LEU  25   5.176  19.313  23.525
  191    H    ILE  26           H        ILE  26   1.907  16.905  25.973
  192    HA   ILE  26           HA       ILE  26   0.115  18.050  27.825
  193    HB   ILE  26           HB       ILE  26   0.549  15.136  27.158
  194   HG12  ILE  26          HG12      ILE  26  -1.736  16.783  26.154
  195   HG13  ILE  26          HG13      ILE  26  -0.167  16.950  25.374
  196   HG21  ILE  26          HG21      ILE  26  -1.405  16.545  28.888
  197   HG22  ILE  26          HG22      ILE  26  -1.998  15.214  27.897
  198   HG23  ILE  26          HG23      ILE  26  -0.695  14.939  29.053
  199   HD11  ILE  26          HD11      ILE  26  -1.946  14.553  25.520
  200   HD12  ILE  26          HD12      ILE  26  -1.261  15.350  24.103
  201   HD13  ILE  26          HD13      ILE  26  -0.226  14.397  25.167
  202    H    LEU  27           H        LEU  27   2.754  15.710  28.228
  203    HA   LEU  27           HA       LEU  27   2.390  15.260  30.979
  204    HB2  LEU  27           HB2      LEU  27   4.433  14.711  28.966
  205    HB3  LEU  27           HB3      LEU  27   5.087  14.945  30.586
  206    HG   LEU  27           HG       LEU  27   3.469  13.174  31.368
  207   HD11  LEU  27          HD11      LEU  27   2.465  13.469  28.773
  208   HD12  LEU  27          HD12      LEU  27   1.983  12.283  29.985
  209   HD13  LEU  27          HD13      LEU  27   3.240  11.885  28.813
  210   HD21  LEU  27          HD21      LEU  27   5.734  12.560  31.185
  211   HD22  LEU  27          HD22      LEU  27   5.680  12.570  29.422
  212   HD23  LEU  27          HD23      LEU  27   4.839  11.308  30.324
  213    H    LEU  28           H        LEU  28   4.360  17.617  29.222
  214    HA   LEU  28           HA       LEU  28   5.668  18.717  31.459
  215    HB2  LEU  28           HB2      LEU  28   5.915  19.031  28.808
  216    HB3  LEU  28           HB3      LEU  28   5.014  20.497  29.189
  217    HG   LEU  28           HG       LEU  28   7.693  19.702  30.327
  218   HD11  LEU  28          HD11      LEU  28   7.900  22.144  29.057
  219   HD12  LEU  28          HD12      LEU  28   6.878  21.195  27.978
  220   HD13  LEU  28          HD13      LEU  28   8.469  20.592  28.441
  221   HD21  LEU  28          HD21      LEU  28   5.857  22.011  30.893
  222   HD22  LEU  28          HD22      LEU  28   7.592  22.094  31.197
  223   HD23  LEU  28          HD23      LEU  28   6.607  20.894  32.034
  224    H    LEU  29           H        LEU  29   2.646  19.582  29.829
  225    HA   LEU  29           HA       LEU  29   2.097  21.891  31.352
  226    HB2  LEU  29           HB2      LEU  29   0.725  20.227  29.408
  227    HB3  LEU  29           HB3      LEU  29  -0.367  20.844  30.645
  228    HG   LEU  29           HG       LEU  29  -0.328  22.274  28.661
  229   HD11  LEU  29          HD11      LEU  29   0.792  24.314  30.132
  230   HD12  LEU  29          HD12      LEU  29   0.316  23.140  31.359
  231   HD13  LEU  29          HD13      LEU  29  -0.881  23.762  30.224
  232   HD21  LEU  29          HD21      LEU  29   1.622  23.466  27.977
  233   HD22  LEU  29          HD22      LEU  29   2.041  21.755  28.048
  234   HD23  LEU  29          HD23      LEU  29   2.552  22.843  29.339
  235    H    VAL  30           H        VAL  30   1.131  18.503  31.746
  236    HA   VAL  30           HA       VAL  30  -0.547  18.863  33.971
  237    HB   VAL  30           HB       VAL  30   1.101  16.441  33.232
  238   HG11  VAL  30          HG11      VAL  30  -1.059  15.459  34.504
  239   HG12  VAL  30          HG12      VAL  30   0.474  15.805  35.307
  240   HG13  VAL  30          HG13      VAL  30  -0.846  16.973  35.382
  241   HG21  VAL  30          HG21      VAL  30  -1.739  16.287  32.724
  242   HG22  VAL  30          HG22      VAL  30  -1.002  17.634  31.855
  243   HG23  VAL  30          HG23      VAL  30  -0.384  15.997  31.633
  244    H    TYR  31           H        TYR  31   2.915  18.114  33.758
  245    HA   TYR  31           HA       TYR  31   3.348  17.875  36.538
  246    HB2  TYR  31           HB2      TYR  31   4.874  17.546  34.231
  247    HB3  TYR  31           HB3      TYR  31   5.662  18.868  35.084
  248    HD1  TYR  31           HD1      TYR  31   4.192  15.514  35.857
  249    HD2  TYR  31           HD2      TYR  31   7.327  18.300  36.571
  250    HE1  TYR  31           HE1      TYR  31   5.287  13.891  37.345
  251    HE2  TYR  31           HE2      TYR  31   8.432  16.685  38.060
  252    HH   TYR  31           HH       TYR  31   7.744  14.707  39.464
  253    H    ARG  32           H        ARG  32   3.778  20.594  34.295
  254    HA   ARG  32           HA       ARG  32   4.787  22.426  36.169
  255    HB2  ARG  32           HB2      ARG  32   4.868  22.706  33.692
  256    HB3  ARG  32           HB3      ARG  32   3.142  23.043  33.710
  257    HG2  ARG  32           HG2      ARG  32   3.509  25.022  35.054
  258    HG3  ARG  32           HG3      ARG  32   5.235  24.665  35.143
  259    HD2  ARG  32           HD2      ARG  32   5.411  26.005  33.358
  260    HD3  ARG  32           HD3      ARG  32   4.782  24.630  32.450
  261    HE   ARG  32           HE       ARG  32   2.710  26.278  33.535
  262   HH11  ARG  32          HH11      ARG  32   4.957  25.927  30.899
  263   HH12  ARG  32          HH12      ARG  32   3.998  26.848  29.788
  264   HH21  ARG  32          HH21      ARG  32   1.439  27.492  32.081
  265   HH22  ARG  32          HH22      ARG  32   1.998  27.738  30.461
  266    H    MET  33           H        MET  33   1.488  21.627  35.204
  267    HA   MET  33           HA       MET  33   0.209  23.703  36.633
  268    HB2  MET  33           HB2      MET  33  -0.646  21.128  35.400
  269    HB3  MET  33           HB3      MET  33  -1.738  21.897  36.544
  270    HG2  MET  33           HG2      MET  33  -0.627  23.658  34.466
  271    HG3  MET  33           HG3      MET  33  -1.716  22.393  33.901
  272    HE1  MET  33           HE1      MET  33  -5.128  23.379  34.988
  273    HE2  MET  33           HE2      MET  33  -4.207  23.159  33.501
  274    HE3  MET  33           HE3      MET  33  -4.058  21.988  34.812
  275    H    ARG  34           H        ARG  34   1.604  20.710  37.608
  276    HA   ARG  34           HA       ARG  34   0.140  20.135  39.914
  277    HB2  ARG  34           HB2      ARG  34   2.142  18.891  38.688
  278    HB3  ARG  34           HB3      ARG  34   3.089  19.708  39.924
  279    HG2  ARG  34           HG2      ARG  34   1.547  18.697  41.629
  280    HG3  ARG  34           HG3      ARG  34   0.863  17.729  40.321
  281    HD2  ARG  34           HD2      ARG  34   2.667  16.380  40.203
  282    HD3  ARG  34           HD3      ARG  34   3.798  17.697  40.512
  283    HE   ARG  34           HE       ARG  34   2.296  17.007  42.836
  284   HH11  ARG  34          HH11      ARG  34   5.016  16.070  40.875
  285   HH12  ARG  34          HH12      ARG  34   5.844  15.275  42.173
  286   HH21  ARG  34          HH21      ARG  34   3.377  15.964  44.553
  287   HH22  ARG  34          HH22      ARG  34   4.911  15.214  44.264
  288    H    LYS  35           H        LYS  35   2.660  22.486  39.322
  289    HA   LYS  35           HA       LYS  35   3.468  23.105  41.891
  290    HB2  LYS  35           HB2      LYS  35   3.062  24.949  39.531
  291    HB3  LYS  35           HB3      LYS  35   3.917  25.399  41.001
  292    HG2  LYS  35           HG2      LYS  35   5.703  23.998  40.548
  293    HG3  LYS  35           HG3      LYS  35   4.765  22.997  39.437
  294    HD2  LYS  35           HD2      LYS  35   4.829  24.643  37.744
  295    HD3  LYS  35           HD3      LYS  35   5.395  25.883  38.866
  296    HE2  LYS  35           HE2      LYS  35   7.325  25.317  37.716
  297    HE3  LYS  35           HE3      LYS  35   7.442  24.333  39.173
  298    HZ1  LYS  35           HZ1      LYS  35   6.331  22.536  37.782
  299    HZ2  LYS  35           HZ2      LYS  35   7.950  22.885  37.442
  300    HZ3  LYS  35           HZ3      LYS  35   6.727  23.481  36.436
  Start of MODEL    8
    1    H1   MET   1           H        MET   1   8.090  12.892  -5.271
    2    HA   MET   1           HA       MET   1   7.309  11.071  -4.079
    3    HB2  MET   1           HB2      MET   1   5.065  13.074  -4.179
    4    HB3  MET   1           HB3      MET   1   4.953  11.616  -3.201
    5    HG2  MET   1           HG2      MET   1   5.716  13.169  -1.688
    6    HG3  MET   1           HG3      MET   1   7.208  12.391  -2.212
    7    HE1  MET   1           HE1      MET   1   5.301  15.986  -2.145
    8    HE2  MET   1           HE2      MET   1   6.196  15.172  -0.862
    9    HE3  MET   1           HE3      MET   1   6.891  16.580  -1.666
   10    H    GLU   2           H        GLU   2   7.336  10.126  -6.536
   11    HA   GLU   2           HA       GLU   2   4.658   9.095  -7.145
   12    HB2  GLU   2           HB2      GLU   2   7.216   9.167  -8.743
   13    HB3  GLU   2           HB3      GLU   2   5.799   8.260  -9.253
   14    HG2  GLU   2           HG2      GLU   2   4.539  10.187  -9.600
   15    HG3  GLU   2           HG3      GLU   2   5.622  11.181  -8.627
   16    H    GLN   3           H        GLN   3   5.899   8.090  -4.849
   17    HA   GLN   3           HA       GLN   3   6.187   5.283  -5.621
   18    HB2  GLN   3           HB2      GLN   3   8.137   6.868  -3.967
   19    HB3  GLN   3           HB3      GLN   3   8.005   5.121  -3.806
   20    HG2  GLN   3           HG2      GLN   3   8.308   5.167  -6.405
   21    HG3  GLN   3           HG3      GLN   3   9.022   6.746  -6.081
   22   HE21  GLN   3          HE21      GLN   3   9.212   3.330  -5.242
   23   HE22  GLN   3          HE22      GLN   3  10.897   3.329  -4.862
   24    H    SER   4           H        SER   4   6.067   3.834  -3.653
   25    HA   SER   4           HA       SER   4   3.913   4.823  -1.938
   26    HB2  SER   4           HB2      SER   4   4.731   2.176  -2.971
   27    HB3  SER   4           HB3      SER   4   4.105   2.186  -1.322
   28    HG   SER   4           HG       SER   4   2.179   2.561  -2.074
   29    H    THR   5           H        THR   5   7.111   3.341  -1.758
   30    HA   THR   5           HA       THR   5   7.218   3.071   1.048
   31    HB   THR   5           HB       THR   5   9.545   3.469  -0.842
   32    HG1  THR   5           HG1      THR   5   8.556   0.979   0.082
   33   HG21  THR   5          HG21      THR   5  10.897   3.108   0.899
   34   HG22  THR   5          HG22      THR   5   9.957   1.708   1.418
   35   HG23  THR   5          HG23      THR   5   9.491   3.326   1.940
   36    H    GLU   6           H        GLU   6   8.213   5.676  -1.132
   37    HA   GLU   6           HA       GLU   6   9.488   7.304   0.753
   38    HB2  GLU   6           HB2      GLU   6   8.268   7.710  -1.922
   39    HB3  GLU   6           HB3      GLU   6   8.522   9.148  -0.943
   40    HG2  GLU   6           HG2      GLU   6  10.902   7.718  -0.749
   41    HG3  GLU   6           HG3      GLU   6  10.419   7.583  -2.439
   42    H    VAL   7           H        VAL   7   6.117   7.373  -0.392
   43    HA   VAL   7           HA       VAL   7   5.276   9.458   1.312
   44    HB   VAL   7           HB       VAL   7   3.953   8.900  -0.620
   45   HG11  VAL   7          HG11      VAL   7   3.406   6.241   0.696
   46   HG12  VAL   7          HG12      VAL   7   2.748   6.807  -0.841
   47   HG13  VAL   7          HG13      VAL   7   4.477   6.496  -0.682
   48   HG21  VAL   7          HG21      VAL   7   2.832   9.793   1.433
   49   HG22  VAL   7          HG22      VAL   7   1.767   8.912   0.338
   50   HG23  VAL   7          HG23      VAL   7   2.347   8.141   1.814
   51    H    LEU   8           H        LEU   8   5.236   5.938   1.657
   52    HA   LEU   8           HA       LEU   8   3.777   5.829   4.060
   53    HB2  LEU   8           HB2      LEU   8   5.424   4.016   2.463
   54    HB3  LEU   8           HB3      LEU   8   5.450   3.665   4.190
   55    HG   LEU   8           HG       LEU   8   3.763   2.374   2.871
   56   HD11  LEU   8          HD11      LEU   8   1.831   3.385   4.508
   57   HD12  LEU   8          HD12      LEU   8   3.307   3.937   5.300
   58   HD13  LEU   8          HD13      LEU   8   3.063   2.218   4.989
   59   HD21  LEU   8          HD21      LEU   8   3.090   4.075   1.294
   60   HD22  LEU   8          HD22      LEU   8   2.484   5.092   2.601
   61   HD23  LEU   8          HD23      LEU   8   1.692   3.558   2.237
   62    H    ALA   9           H        ALA   9   7.264   5.986   3.433
   63    HA   ALA   9           HA       ALA   9   8.111   5.786   6.106
   64    HB1  ALA   9           HB1      ALA   9   9.429   7.100   3.735
   65    HB2  ALA   9           HB2      ALA   9  10.218   6.814   5.287
   66    HB3  ALA   9           HB3      ALA   9   9.670   5.450   4.312
   67    H    ALA  10           H        ALA  10   7.338   8.603   4.097
   68    HA   ALA  10           HA       ALA  10   8.075  10.579   5.956
   69    HB1  ALA  10           HB1      ALA  10   5.860  10.897   3.950
   70    HB2  ALA  10           HB2      ALA  10   6.973  12.120   4.565
   71    HB3  ALA  10           HB3      ALA  10   7.560  10.860   3.480
   72    H    VAL  11           H        VAL  11   4.952   9.008   5.330
   73    HA   VAL  11           HA       VAL  11   3.441  10.479   7.186
   74    HB   VAL  11           HB       VAL  11   3.009   7.641   6.243
   75   HG11  VAL  11          HG11      VAL  11   1.487   7.655   7.901
   76   HG12  VAL  11          HG12      VAL  11   1.491   9.415   8.032
   77   HG13  VAL  11          HG13      VAL  11   0.545   8.625   6.770
   78   HG21  VAL  11          HG21      VAL  11   1.247   9.622   5.125
   79   HG22  VAL  11          HG22      VAL  11   2.930  10.041   4.808
   80   HG23  VAL  11          HG23      VAL  11   2.302   8.472   4.305
   81    H    ILE  12           H        ILE  12   5.215   7.427   7.512
   82    HA   ILE  12           HA       ILE  12   4.432   6.829  10.140
   83    HB   ILE  12           HB       ILE  12   6.991   6.116   8.704
   84   HG12  ILE  12          HG12      ILE  12   4.745   4.214   9.224
   85   HG13  ILE  12          HG13      ILE  12   4.580   5.373   7.910
   86   HG21  ILE  12          HG21      ILE  12   7.612   5.642  10.842
   87   HG22  ILE  12          HG22      ILE  12   5.951   5.433  11.395
   88   HG23  ILE  12          HG23      ILE  12   6.741   4.153  10.474
   89   HD11  ILE  12          HD11      ILE  12   6.656   3.230   8.228
   90   HD12  ILE  12          HD12      ILE  12   5.427   3.383   6.972
   91   HD13  ILE  12          HD13      ILE  12   6.773   4.521   7.032
   92    H    ALA  13           H        ALA  13   7.287   8.560   8.916
   93    HA   ALA  13           HA       ALA  13   8.487   9.063  11.399
   94    HB1  ALA  13           HB1      ALA  13   9.559   9.335   9.157
   95    HB2  ALA  13           HB2      ALA  13   8.655  10.839   8.972
   96    HB3  ALA  13           HB3      ALA  13   9.837  10.674  10.271
   97    H    GLY  14           H        GLY  14   6.140  10.951   9.526
   98    HA2  GLY  14           HA2      GLY  14   6.098  13.205  11.227
   99    HA3  GLY  14           HA3      GLY  14   4.830  12.748  10.098
  100    H    GLY  15           H        GLY  15   4.266  10.188  11.264
  101    HA2  GLY  15           HA2      GLY  15   2.409  11.014  13.257
  102    HA3  GLY  15           HA3      GLY  15   2.735   9.358  12.768
  103    H    VAL  16           H        VAL  16   5.484   9.266  13.386
  104    HA   VAL  16           HA       VAL  16   5.361   8.638  16.142
  105    HB   VAL  16           HB       VAL  16   7.791   8.952  14.373
  106   HG11  VAL  16          HG11      VAL  16   7.425   7.808  17.127
  107   HG12  VAL  16          HG12      VAL  16   8.782   7.358  16.092
  108   HG13  VAL  16          HG13      VAL  16   8.570   9.037  16.589
  109   HG21  VAL  16          HG21      VAL  16   7.386   6.923  13.530
  110   HG22  VAL  16          HG22      VAL  16   6.962   6.259  15.108
  111   HG23  VAL  16          HG23      VAL  16   5.749   7.116  14.156
  112    H    ILE  17           H        ILE  17   6.982  11.264  14.373
  113    HA   ILE  17           HA       ILE  17   8.092  12.517  16.643
  114    HB   ILE  17           HB       ILE  17   8.921  13.005  14.412
  115   HG12  ILE  17          HG12      ILE  17   9.014  15.467  14.570
  116   HG13  ILE  17          HG13      ILE  17   7.685  15.437  15.723
  117   HG21  ILE  17          HG21      ILE  17   7.699  13.989  12.709
  118   HG22  ILE  17          HG22      ILE  17   6.521  12.903  13.445
  119   HG23  ILE  17          HG23      ILE  17   6.481  14.627  13.813
  120   HD11  ILE  17          HD11      ILE  17   9.983  13.764  16.440
  121   HD12  ILE  17          HD12      ILE  17  10.293  15.500  16.399
  122   HD13  ILE  17          HD13      ILE  17   9.013  14.856  17.428
  123    H    GLY  18           H        GLY  18   5.055  13.044  14.888
  124    HA2  GLY  18           HA2      GLY  18   4.204  15.298  16.355
  125    HA3  GLY  18           HA3      GLY  18   3.161  14.215  15.445
  126    H    PHE  19           H        PHE  19   3.600  11.836  16.831
  127    HA   PHE  19           HA       PHE  19   1.806  12.134  18.987
  128    HB2  PHE  19           HB2      PHE  19   3.295   9.935  17.723
  129    HB3  PHE  19           HB3      PHE  19   2.963   9.694  19.435
  130    HD1  PHE  19           HD1      PHE  19   1.785   8.979  16.304
  131    HD2  PHE  19           HD2      PHE  19   0.419  10.491  20.041
  132    HE1  PHE  19           HE1      PHE  19  -0.503   8.264  15.753
  133    HE2  PHE  19           HE2      PHE  19  -1.872   9.777  19.496
  134    HZ   PHE  19           HZ       PHE  19  -2.335   8.661  17.350
  135    H    LEU  20           H        LEU  20   5.315  11.690  18.857
  136    HA   LEU  20           HA       LEU  20   5.729  11.469  21.637
  137    HB2  LEU  20           HB2      LEU  20   7.292  11.176  19.460
  138    HB3  LEU  20           HB3      LEU  20   7.840  12.753  20.024
  139    HG   LEU  20           HG       LEU  20   8.042  11.445  22.324
  140   HD11  LEU  20          HD11      LEU  20   7.243   9.328  21.723
  141   HD12  LEU  20          HD12      LEU  20   8.998   9.155  21.741
  142   HD13  LEU  20          HD13      LEU  20   8.145   9.320  20.207
  143   HD21  LEU  20          HD21      LEU  20   9.790  12.281  20.284
  144   HD22  LEU  20          HD22      LEU  20  10.332  10.679  20.787
  145   HD23  LEU  20          HD23      LEU  20  10.169  11.970  21.979
  146    H    PHE  21           H        PHE  21   5.623  14.240  19.458
  147    HA   PHE  21           HA       PHE  21   6.481  16.162  21.357
  148    HB2  PHE  21           HB2      PHE  21   6.296  16.311  18.750
  149    HB3  PHE  21           HB3      PHE  21   4.657  16.861  19.083
  150    HD1  PHE  21           HD1      PHE  21   4.235  19.066  19.746
  151    HD2  PHE  21           HD2      PHE  21   8.226  17.587  19.739
  152    HE1  PHE  21           HE1      PHE  21   5.077  21.346  20.130
  153    HE2  PHE  21           HE2      PHE  21   9.074  19.864  20.124
  154    HZ   PHE  21           HZ       PHE  21   7.499  21.747  20.321
  155    H    ALA  22           H        ALA  22   3.289  15.047  20.313
  156    HA   ALA  22           HA       ALA  22   1.760  16.878  21.802
  157    HB1  ALA  22           HB1      ALA  22   0.127  14.729  21.676
  158    HB2  ALA  22           HB2      ALA  22   0.370  15.866  20.350
  159    HB3  ALA  22           HB3      ALA  22   1.267  14.348  20.386
  160    H    ILE  23           H        ILE  23   2.940  13.626  22.589
  161    HA   ILE  23           HA       ILE  23   1.695  13.455  25.121
  162    HB   ILE  23           HB       ILE  23   4.180  12.053  24.129
  163   HG12  ILE  23          HG12      ILE  23   1.437  10.848  24.322
  164   HG13  ILE  23          HG13      ILE  23   1.890  11.796  22.910
  165   HG21  ILE  23          HG21      ILE  23   2.986  10.403  25.957
  166   HG22  ILE  23          HG22      ILE  23   4.380  11.436  26.269
  167   HG23  ILE  23          HG23      ILE  23   2.759  11.996  26.678
  168   HD11  ILE  23          HD11      ILE  23   2.681   9.096  23.702
  169   HD12  ILE  23          HD12      ILE  23   2.587   9.835  22.104
  170   HD13  ILE  23          HD13      ILE  23   4.002  10.108  23.120
  171    H    PHE  24           H        PHE  24   4.820  14.683  24.060
  172    HA   PHE  24           HA       PHE  24   5.932  15.028  26.643
  173    HB2  PHE  24           HB2      PHE  24   7.201  14.985  24.456
  174    HB3  PHE  24           HB3      PHE  24   6.620  16.622  24.172
  175    HD1  PHE  24           HD1      PHE  24   7.474  18.485  25.441
  176    HD2  PHE  24           HD2      PHE  24   8.844  14.523  26.174
  177    HE1  PHE  24           HE1      PHE  24   9.365  19.382  26.734
  178    HE2  PHE  24           HE2      PHE  24  10.736  15.413  27.470
  179    HZ   PHE  24           HZ       PHE  24  10.999  17.845  27.752
  180    H    LEU  25           H        LEU  25   4.065  17.131  24.510
  181    HA   LEU  25           HA       LEU  25   4.311  19.476  26.076
  182    HB2  LEU  25           HB2      LEU  25   3.014  18.676  23.670
  183    HB3  LEU  25           HB3      LEU  25   1.838  19.501  24.691
  184    HG   LEU  25           HG       LEU  25   2.816  21.094  23.192
  185   HD11  LEU  25          HD11      LEU  25   2.871  21.320  25.983
  186   HD12  LEU  25          HD12      LEU  25   2.822  22.624  24.796
  187   HD13  LEU  25          HD13      LEU  25   4.372  22.045  25.407
  188   HD21  LEU  25          HD21      LEU  25   4.997  19.590  23.101
  189   HD22  LEU  25          HD22      LEU  25   5.550  20.759  24.301
  190   HD23  LEU  25          HD23      LEU  25   5.031  21.309  22.707
  191    H    ILE  26           H        ILE  26   1.869  16.915  25.943
  192    HA   ILE  26           HA       ILE  26   0.075  18.074  27.786
  193    HB   ILE  26           HB       ILE  26   0.512  15.188  27.020
  194   HG12  ILE  26          HG12      ILE  26  -0.291  16.736  25.243
  195   HG13  ILE  26          HG13      ILE  26  -1.462  15.485  25.647
  196   HG21  ILE  26          HG21      ILE  26  -1.408  16.447  28.925
  197   HG22  ILE  26          HG22      ILE  26  -1.917  15.052  27.975
  198   HG23  ILE  26          HG23      ILE  26  -0.529  14.923  29.055
  199   HD11  ILE  26          HD11      ILE  26  -1.923  18.204  25.503
  200   HD12  ILE  26          HD12      ILE  26  -2.989  16.988  26.208
  201   HD13  ILE  26          HD13      ILE  26  -1.855  17.867  27.232
  202    H    LEU  27           H        LEU  27   2.708  15.730  28.202
  203    HA   LEU  27           HA       LEU  27   2.336  15.283  30.952
  204    HB2  LEU  27           HB2      LEU  27   3.992  14.300  29.007
  205    HB3  LEU  27           HB3      LEU  27   5.111  15.200  30.029
  206    HG   LEU  27           HG       LEU  27   5.050  12.859  30.667
  207   HD11  LEU  27          HD11      LEU  27   3.571  14.036  32.924
  208   HD12  LEU  27          HD12      LEU  27   4.957  14.961  32.349
  209   HD13  LEU  27          HD13      LEU  27   5.168  13.291  32.873
  210   HD21  LEU  27          HD21      LEU  27   3.185  11.638  30.959
  211   HD22  LEU  27          HD22      LEU  27   2.431  12.897  29.980
  212   HD23  LEU  27          HD23      LEU  27   2.315  12.959  31.739
  213    H    LEU  28           H        LEU  28   4.310  17.640  29.199
  214    HA   LEU  28           HA       LEU  28   5.608  18.742  31.441
  215    HB2  LEU  28           HB2      LEU  28   5.345  19.323  28.624
  216    HB3  LEU  28           HB3      LEU  28   5.316  20.802  29.582
  217    HG   LEU  28           HG       LEU  28   7.566  20.270  28.782
  218   HD11  LEU  28          HD11      LEU  28   8.428  21.159  30.630
  219   HD12  LEU  28          HD12      LEU  28   8.026  19.739  31.595
  220   HD13  LEU  28          HD13      LEU  28   6.820  21.000  31.339
  221   HD21  LEU  28          HD21      LEU  28   7.185  17.741  30.375
  222   HD22  LEU  28          HD22      LEU  28   8.744  18.316  29.785
  223   HD23  LEU  28          HD23      LEU  28   7.473  17.882  28.641
  224    H    LEU  29           H        LEU  29   2.595  19.605  29.794
  225    HA   LEU  29           HA       LEU  29   2.039  21.917  31.310
  226    HB2  LEU  29           HB2      LEU  29   0.720  20.301  29.320
  227    HB3  LEU  29           HB3      LEU  29  -0.414  20.793  30.576
  228    HG   LEU  29           HG       LEU  29  -0.357  22.302  28.602
  229   HD11  LEU  29          HD11      LEU  29  -0.893  24.055  29.898
  230   HD12  LEU  29          HD12      LEU  29   0.647  24.026  30.757
  231   HD13  LEU  29          HD13      LEU  29  -0.643  22.918  31.222
  232   HD21  LEU  29          HD21      LEU  29   1.513  23.704  28.173
  233   HD22  LEU  29          HD22      LEU  29   2.116  22.048  28.235
  234   HD23  LEU  29          HD23      LEU  29   2.358  23.128  29.609
  235    H    VAL  30           H        VAL  30   1.069  18.530  31.705
  236    HA   VAL  30           HA       VAL  30  -0.620  18.894  33.920
  237    HB   VAL  30           HB       VAL  30   1.030  16.470  33.192
  238   HG11  VAL  30          HG11      VAL  30  -0.865  17.017  35.364
  239   HG12  VAL  30          HG12      VAL  30  -1.182  15.534  34.461
  240   HG13  VAL  30          HG13      VAL  30   0.386  15.781  35.231
  241   HG21  VAL  30          HG21      VAL  30  -0.488  15.960  31.633
  242   HG22  VAL  30          HG22      VAL  30  -1.837  16.399  32.680
  243   HG23  VAL  30          HG23      VAL  30  -1.000  17.643  31.752
  244    H    TYR  31           H        TYR  31   2.843  18.142  33.725
  245    HA   TYR  31           HA       TYR  31   3.281  17.876  36.492
  246    HB2  TYR  31           HB2      TYR  31   4.803  17.457  34.295
  247    HB3  TYR  31           HB3      TYR  31   5.494  18.974  34.861
  248    HD1  TYR  31           HD1      TYR  31   5.754  15.509  35.072
  249    HD2  TYR  31           HD2      TYR  31   5.958  18.995  37.503
  250    HE1  TYR  31           HE1      TYR  31   7.096  14.273  36.722
  251    HE2  TYR  31           HE2      TYR  31   7.302  17.770  39.159
  252    HH   TYR  31           HH       TYR  31   8.899  15.075  38.600
  253    H    ARG  32           H        ARG  32   3.753  20.655  34.320
  254    HA   ARG  32           HA       ARG  32   4.648  22.455  36.279
  255    HB2  ARG  32           HB2      ARG  32   3.451  22.732  33.555
  256    HB3  ARG  32           HB3      ARG  32   3.605  24.166  34.561
  257    HG2  ARG  32           HG2      ARG  32   5.997  23.820  34.736
  258    HG3  ARG  32           HG3      ARG  32   5.867  22.331  33.798
  259    HD2  ARG  32           HD2      ARG  32   6.386  23.694  32.077
  260    HD3  ARG  32           HD3      ARG  32   4.659  24.051  32.118
  261    HE   ARG  32           HE       ARG  32   5.847  25.831  33.857
  262   HH11  ARG  32          HH11      ARG  32   6.063  25.059  30.469
  263   HH12  ARG  32          HH12      ARG  32   6.494  26.669  29.996
  264   HH21  ARG  32          HH21      ARG  32   6.414  27.954  33.247
  265   HH22  ARG  32          HH22      ARG  32   6.694  28.315  31.578
  266    H    MET  33           H        MET  33   1.409  21.615  35.171
  267    HA   MET  33           HA       MET  33   0.025  23.655  36.544
  268    HB2  MET  33           HB2      MET  33  -0.691  21.089  35.239
  269    HB3  MET  33           HB3      MET  33  -1.837  21.721  36.413
  270    HG2  MET  33           HG2      MET  33  -2.157  23.705  35.177
  271    HG3  MET  33           HG3      MET  33  -0.771  23.368  34.142
  272    HE1  MET  33           HE1      MET  33  -3.885  24.045  34.137
  273    HE2  MET  33           HE2      MET  33  -4.319  23.503  32.515
  274    HE3  MET  33           HE3      MET  33  -4.952  22.656  33.927
  275    H    ARG  34           H        ARG  34   1.465  20.710  37.594
  276    HA   ARG  34           HA       ARG  34  -0.092  20.239  39.906
  277    HB2  ARG  34           HB2      ARG  34   1.889  18.881  38.632
  278    HB3  ARG  34           HB3      ARG  34   2.762  19.502  40.027
  279    HG2  ARG  34           HG2      ARG  34   1.968  17.809  41.207
  280    HG3  ARG  34           HG3      ARG  34   0.351  18.491  41.027
  281    HD2  ARG  34           HD2      ARG  34  -0.046  16.456  40.105
  282    HD3  ARG  34           HD3      ARG  34   0.546  17.280  38.663
  283    HE   ARG  34           HE       ARG  34   2.332  15.865  38.664
  284   HH11  ARG  34          HH11      ARG  34   0.961  15.919  41.863
  285   HH12  ARG  34          HH12      ARG  34   2.008  14.682  42.474
  286   HH21  ARG  34          HH21      ARG  34   3.717  14.235  39.457
  287   HH22  ARG  34          HH22      ARG  34   3.576  13.725  41.105
  288    H    LYS  35           H        LYS  35   2.631  22.327  39.236
  289    HA   LYS  35           HA       LYS  35   3.375  22.903  41.893
  290    HB2  LYS  35           HB2      LYS  35   4.227  23.654  39.340
  291    HB3  LYS  35           HB3      LYS  35   3.729  25.158  40.103
  292    HG2  LYS  35           HG2      LYS  35   5.200  24.633  42.016
  293    HG3  LYS  35           HG3      LYS  35   5.749  23.190  41.159
  294    HD2  LYS  35           HD2      LYS  35   6.414  24.740  39.265
  295    HD3  LYS  35           HD3      LYS  35   6.139  26.074  40.388
  296    HE2  LYS  35           HE2      LYS  35   8.171  25.778  41.231
  297    HE3  LYS  35           HE3      LYS  35   7.733  24.140  41.713
  298    HZ1  LYS  35           HZ1      LYS  35   8.470  24.593  38.919
  299    HZ2  LYS  35           HZ2      LYS  35   8.729  23.238  39.897
  300    HZ3  LYS  35           HZ3      LYS  35   9.710  24.606  40.069
  Start of MODEL    9
    1    H1   MET   1           H        MET   1  10.941  13.102  -7.828
    2    HA   MET   1           HA       MET   1  12.036  10.913  -7.198
    3    HB2  MET   1           HB2      MET   1  11.964  12.358  -4.695
    4    HB3  MET   1           HB3      MET   1  11.178  10.794  -4.532
    5    HG2  MET   1           HG2      MET   1  13.300  10.180  -4.049
    6    HG3  MET   1           HG3      MET   1  13.347   9.978  -5.799
    7    HE1  MET   1           HE1      MET   1  16.757  11.438  -6.029
    8    HE2  MET   1           HE2      MET   1  16.204  10.103  -5.018
    9    HE3  MET   1           HE3      MET   1  15.540  10.315  -6.639
   10    H    GLU   2           H        GLU   2  10.701   9.202  -7.453
   11    HA   GLU   2           HA       GLU   2   7.866   9.543  -6.751
   12    HB2  GLU   2           HB2      GLU   2   8.994   8.569  -9.375
   13    HB3  GLU   2           HB3      GLU   2   7.323   8.315  -8.893
   14    HG2  GLU   2           HG2      GLU   2   7.533  10.974  -8.514
   15    HG3  GLU   2           HG3      GLU   2   8.672  10.747  -9.840
   16    H    GLN   3           H        GLN   3   8.476   8.240  -4.899
   17    HA   GLN   3           HA       GLN   3   8.404   5.384  -5.550
   18    HB2  GLN   3           HB2      GLN   3  10.518   6.818  -4.082
   19    HB3  GLN   3           HB3      GLN   3   9.929   5.359  -3.295
   20    HG2  GLN   3           HG2      GLN   3  10.283   4.601  -5.931
   21    HG3  GLN   3           HG3      GLN   3  11.652   5.660  -5.597
   22   HE21  GLN   3          HE21      GLN   3  10.646   2.552  -5.534
   23   HE22  GLN   3          HE22      GLN   3  11.722   1.914  -4.343
   24    H    SER   4           H        SER   4   7.147   4.160  -4.221
   25    HA   SER   4           HA       SER   4   5.230   5.492  -2.608
   26    HB2  SER   4           HB2      SER   4   5.602   2.867  -3.697
   27    HB3  SER   4           HB3      SER   4   5.218   2.723  -1.982
   28    HG   SER   4           HG       SER   4   3.733   4.277  -3.836
   29    H    THR   5           H        THR   5   8.089   3.549  -1.887
   30    HA   THR   5           HA       THR   5   7.813   3.197   0.834
   31    HB   THR   5           HB       THR   5  10.408   3.438   0.847
   32    HG1  THR   5           HG1      THR   5  10.051   3.174  -1.951
   33   HG21  THR   5          HG21      THR   5   9.833   1.246   0.927
   34   HG22  THR   5          HG22      THR   5  10.397   1.266  -0.744
   35   HG23  THR   5          HG23      THR   5   8.673   1.392  -0.393
   36    H    GLU   6           H        GLU   6   9.052   6.023  -0.902
   37    HA   GLU   6           HA       GLU   6   9.930   7.504   1.297
   38    HB2  GLU   6           HB2      GLU   6   8.754   8.495  -1.307
   39    HB3  GLU   6           HB3      GLU   6   9.646   9.485  -0.160
   40    HG2  GLU   6           HG2      GLU   6  10.968   7.034  -1.165
   41    HG3  GLU   6           HG3      GLU   6  10.786   8.386  -2.282
   42    H    VAL   7           H        VAL   7   6.750   7.442  -0.284
   43    HA   VAL   7           HA       VAL   7   5.523   9.394   1.317
   44    HB   VAL   7           HB       VAL   7   4.181   7.022   0.014
   45   HG11  VAL   7          HG11      VAL   7   2.329   8.857  -0.149
   46   HG12  VAL   7          HG12      VAL   7   2.547   7.949   1.348
   47   HG13  VAL   7          HG13      VAL   7   3.203   9.580   1.201
   48   HG21  VAL   7          HG21      VAL   7   4.733   7.897  -1.950
   49   HG22  VAL   7          HG22      VAL   7   3.853   9.363  -1.522
   50   HG23  VAL   7          HG23      VAL   7   5.573   9.228  -1.155
   51    H    LEU   8           H        LEU   8   5.693   5.868   1.665
   52    HA   LEU   8           HA       LEU   8   4.047   5.652   3.928
   53    HB2  LEU   8           HB2      LEU   8   5.787   3.957   2.398
   54    HB3  LEU   8           HB3      LEU   8   6.022   3.664   4.120
   55    HG   LEU   8           HG       LEU   8   4.408   2.105   3.240
   56   HD11  LEU   8          HD11      LEU   8   3.338   2.233   5.174
   57   HD12  LEU   8          HD12      LEU   8   2.390   3.599   4.586
   58   HD13  LEU   8          HD13      LEU   8   3.937   3.879   5.385
   59   HD21  LEU   8          HD21      LEU   8   2.573   2.639   1.971
   60   HD22  LEU   8          HD22      LEU   8   3.723   3.853   1.409
   61   HD23  LEU   8          HD23      LEU   8   2.486   4.288   2.590
   62    H    ALA   9           H        ALA   9   7.556   6.068   3.629
   63    HA   ALA   9           HA       ALA   9   8.166   5.919   6.368
   64    HB1  ALA   9           HB1      ALA   9  10.112   7.541   5.445
   65    HB2  ALA   9           HB2      ALA   9  10.103   5.791   5.225
   66    HB3  ALA   9           HB3      ALA   9   9.534   6.845   3.931
   67    H    ALA  10           H        ALA  10   7.235   8.636   4.313
   68    HA   ALA  10           HA       ALA  10   7.684  10.671   6.224
   69    HB1  ALA  10           HB1      ALA  10   6.629  10.473   3.560
   70    HB2  ALA  10           HB2      ALA  10   5.618  11.534   4.542
   71    HB3  ALA  10           HB3      ALA  10   7.344  11.860   4.381
   72    H    VAL  11           H        VAL  11   4.867   8.691   5.438
   73    HA   VAL  11           HA       VAL  11   3.022  10.056   7.088
   74    HB   VAL  11           HB       VAL  11   2.988   7.172   6.188
   75   HG11  VAL  11          HG11      VAL  11   1.478   7.337   7.989
   76   HG12  VAL  11          HG12      VAL  11   0.896   8.917   7.459
   77   HG13  VAL  11          HG13      VAL  11   0.491   7.471   6.533
   78   HG21  VAL  11          HG21      VAL  11   1.160   9.042   4.906
   79   HG22  VAL  11          HG22      VAL  11   2.857   9.440   4.634
   80   HG23  VAL  11          HG23      VAL  11   2.243   7.847   4.191
   81    H    ILE  12           H        ILE  12   4.948   7.114   7.627
   82    HA   ILE  12           HA       ILE  12   4.046   6.643  10.256
   83    HB   ILE  12           HB       ILE  12   5.141   4.887   8.999
   84   HG12  ILE  12          HG12      ILE  12   7.196   5.226  11.077
   85   HG13  ILE  12          HG13      ILE  12   5.545   5.431  11.651
   86   HG21  ILE  12          HG21      ILE  12   7.711   6.436   9.252
   87   HG22  ILE  12          HG22      ILE  12   7.444   4.925   8.384
   88   HG23  ILE  12          HG23      ILE  12   6.714   6.420   7.798
   89   HD11  ILE  12          HD11      ILE  12   5.047   3.213  10.522
   90   HD12  ILE  12          HD12      ILE  12   6.796   3.019  10.391
   91   HD13  ILE  12          HD13      ILE  12   6.042   3.172  11.978
   92    H    ALA  13           H        ALA  13   6.870   8.378   8.997
   93    HA   ALA  13           HA       ALA  13   8.068   8.961  11.470
   94    HB1  ALA  13           HB1      ALA  13   8.225  10.739   9.051
   95    HB2  ALA  13           HB2      ALA  13   9.439  10.482  10.305
   96    HB3  ALA  13           HB3      ALA  13   9.076   9.197   9.153
   97    H    GLY  14           H        GLY  14   5.674  10.734   9.549
   98    HA2  GLY  14           HA2      GLY  14   5.595  13.034  11.201
   99    HA3  GLY  14           HA3      GLY  14   4.354  12.544  10.057
  100    H    GLY  15           H        GLY  15   3.808   9.992  11.261
  101    HA2  GLY  15           HA2      GLY  15   1.888  10.819  13.188
  102    HA3  GLY  15           HA3      GLY  15   2.273   9.159  12.757
  103    H    VAL  16           H        VAL  16   4.954   9.050  13.459
  104    HA   VAL  16           HA       VAL  16   4.769   8.600  16.248
  105    HB   VAL  16           HB       VAL  16   6.263   7.258  14.895
  106   HG11  VAL  16          HG11      VAL  16   8.235   8.130  13.839
  107   HG12  VAL  16          HG12      VAL  16   6.842   9.057  13.278
  108   HG13  VAL  16          HG13      VAL  16   7.927   9.739  14.491
  109   HG21  VAL  16          HG21      VAL  16   6.795   7.657  17.289
  110   HG22  VAL  16          HG22      VAL  16   8.210   7.278  16.306
  111   HG23  VAL  16          HG23      VAL  16   7.893   8.944  16.790
  112    H    ILE  17           H        ILE  17   6.326  11.128  14.317
  113    HA   ILE  17           HA       ILE  17   7.567  12.468  16.468
  114    HB   ILE  17           HB       ILE  17   6.684  13.519  13.779
  115   HG12  ILE  17          HG12      ILE  17   9.498  12.928  14.659
  116   HG13  ILE  17          HG13      ILE  17   8.469  11.654  14.013
  117   HG21  ILE  17          HG21      ILE  17   7.859  14.859  16.101
  118   HG22  ILE  17          HG22      ILE  17   8.724  15.133  14.590
  119   HG23  ILE  17          HG23      ILE  17   7.011  15.533  14.709
  120   HD11  ILE  17          HD11      ILE  17   9.381  12.273  12.064
  121   HD12  ILE  17          HD12      ILE  17   8.158  13.544  12.118
  122   HD13  ILE  17          HD13      ILE  17   9.805  13.881  12.651
  123    H    GLY  18           H        GLY  18   4.449  12.977  14.842
  124    HA2  GLY  18           HA2      GLY  18   3.679  15.250  16.323
  125    HA3  GLY  18           HA3      GLY  18   2.589  14.171  15.466
  126    H    PHE  19           H        PHE  19   3.066  11.798  16.853
  127    HA   PHE  19           HA       PHE  19   1.359  12.126  19.073
  128    HB2  PHE  19           HB2      PHE  19   1.775  10.025  17.635
  129    HB3  PHE  19           HB3      PHE  19   3.156   9.742  18.690
  130    HD1  PHE  19           HD1      PHE  19  -0.499  10.450  18.868
  131    HD2  PHE  19           HD2      PHE  19   2.858   8.478  20.588
  132    HE1  PHE  19           HE1      PHE  19  -1.980   9.362  20.504
  133    HE2  PHE  19           HE2      PHE  19   1.382   7.386  22.226
  134    HZ   PHE  19           HZ       PHE  19  -1.040   7.827  22.184
  135    H    LEU  20           H        LEU  20   4.858  11.656  18.818
  136    HA   LEU  20           HA       LEU  20   5.373  11.468  21.584
  137    HB2  LEU  20           HB2      LEU  20   6.907  10.857  19.662
  138    HB3  LEU  20           HB3      LEU  20   7.261  12.578  19.522
  139    HG   LEU  20           HG       LEU  20   7.739  12.021  22.192
  140   HD11  LEU  20          HD11      LEU  20   8.250   9.637  20.518
  141   HD12  LEU  20          HD12      LEU  20   7.877   9.762  22.237
  142   HD13  LEU  20          HD13      LEU  20   9.510  10.099  21.662
  143   HD21  LEU  20          HD21      LEU  20   8.997  13.428  20.489
  144   HD22  LEU  20          HD22      LEU  20   9.833  11.942  20.037
  145   HD23  LEU  20          HD23      LEU  20   9.970  12.566  21.681
  146    H    PHE  21           H        PHE  21   5.165  14.208  19.380
  147    HA   PHE  21           HA       PHE  21   6.123  16.151  21.217
  148    HB2  PHE  21           HB2      PHE  21   5.184  16.096  18.509
  149    HB3  PHE  21           HB3      PHE  21   4.361  17.390  19.374
  150    HD1  PHE  21           HD1      PHE  21   5.325  19.413  18.901
  151    HD2  PHE  21           HD2      PHE  21   7.833  16.025  19.490
  152    HE1  PHE  21           HE1      PHE  21   7.311  20.843  18.649
  153    HE2  PHE  21           HE2      PHE  21   9.823  17.450  19.240
  154    HZ   PHE  21           HZ       PHE  21   9.563  19.863  18.819
  155    H    ALA  22           H        ALA  22   2.893  15.015  20.330
  156    HA   ALA  22           HA       ALA  22   1.424  16.882  21.836
  157    HB1  ALA  22           HB1      ALA  22  -0.027  15.842  20.469
  158    HB2  ALA  22           HB2      ALA  22   0.876  14.326  20.491
  159    HB3  ALA  22           HB3      ALA  22  -0.209  14.726  21.823
  160    H    ILE  23           H        ILE  23   2.564  13.613  22.638
  161    HA   ILE  23           HA       ILE  23   1.458  13.563  25.243
  162    HB   ILE  23           HB       ILE  23   2.123  11.515  24.068
  163   HG12  ILE  23          HG12      ILE  23   3.278  10.412  25.972
  164   HG13  ILE  23          HG13      ILE  23   3.607  11.998  26.660
  165   HG21  ILE  23          HG21      ILE  23   4.131  12.379  22.973
  166   HG22  ILE  23          HG22      ILE  23   4.949  12.456  24.532
  167   HG23  ILE  23          HG23      ILE  23   4.472  10.896  23.863
  168   HD11  ILE  23          HD11      ILE  23   1.345  12.382  27.124
  169   HD12  ILE  23          HD12      ILE  23   0.821  11.060  26.080
  170   HD13  ILE  23          HD13      ILE  23   1.642  10.711  27.601
  171    H    PHE  24           H        PHE  24   4.532  14.662  23.950
  172    HA   PHE  24           HA       PHE  24   5.852  14.975  26.439
  173    HB2  PHE  24           HB2      PHE  24   6.920  14.886  24.129
  174    HB3  PHE  24           HB3      PHE  24   6.421  16.563  23.938
  175    HD1  PHE  24           HD1      PHE  24   8.328  14.349  26.242
  176    HD2  PHE  24           HD2      PHE  24   7.830  18.255  24.627
  177    HE1  PHE  24           HE1      PHE  24  10.373  15.083  27.397
  178    HE2  PHE  24           HE2      PHE  24   9.875  18.995  25.778
  179    HZ   PHE  24           HZ       PHE  24  11.150  17.408  27.165
  180    H    LEU  25           H        LEU  25   3.915  17.139  24.430
  181    HA   LEU  25           HA       LEU  25   4.356  19.473  25.975
  182    HB2  LEU  25           HB2      LEU  25   2.711  18.667  23.721
  183    HB3  LEU  25           HB3      LEU  25   1.872  19.784  24.795
  184    HG   LEU  25           HG       LEU  25   4.241  21.061  24.500
  185   HD11  LEU  25          HD11      LEU  25   4.645  20.991  21.994
  186   HD12  LEU  25          HD12      LEU  25   3.753  19.470  21.999
  187   HD13  LEU  25          HD13      LEU  25   5.240  19.623  22.934
  188   HD21  LEU  25          HD21      LEU  25   1.720  21.683  24.071
  189   HD22  LEU  25          HD22      LEU  25   2.185  21.465  22.384
  190   HD23  LEU  25          HD23      LEU  25   3.026  22.649  23.385
  191    H    ILE  26           H        ILE  26   1.807  17.014  25.987
  192    HA   ILE  26           HA       ILE  26   0.174  18.239  27.932
  193    HB   ILE  26           HB       ILE  26   0.449  15.337  27.152
  194   HG12  ILE  26          HG12      ILE  26  -0.380  16.910  25.409
  195   HG13  ILE  26          HG13      ILE  26  -1.581  15.713  25.882
  196   HG21  ILE  26          HG21      ILE  26  -1.224  16.666  29.208
  197   HG22  ILE  26          HG22      ILE  26  -1.976  15.406  28.230
  198   HG23  ILE  26          HG23      ILE  26  -0.536  15.042  29.181
  199   HD11  ILE  26          HD11      ILE  26  -1.855  18.045  27.512
  200   HD12  ILE  26          HD12      ILE  26  -1.861  18.495  25.807
  201   HD13  ILE  26          HD13      ILE  26  -3.015  17.306  26.409
  202    H    LEU  27           H        LEU  27   2.730  15.790  28.192
  203    HA   LEU  27           HA       LEU  27   2.503  15.356  30.961
  204    HB2  LEU  27           HB2      LEU  27   4.384  14.703  28.834
  205    HB3  LEU  27           HB3      LEU  27   5.166  14.942  30.395
  206    HG   LEU  27           HG       LEU  27   4.649  12.583  29.958
  207   HD11  LEU  27          HD11      LEU  27   4.190  12.177  32.122
  208   HD12  LEU  27          HD12      LEU  27   2.752  13.196  32.121
  209   HD13  LEU  27          HD13      LEU  27   4.349  13.927  32.276
  210   HD21  LEU  27          HD21      LEU  27   1.757  12.960  30.358
  211   HD22  LEU  27          HD22      LEU  27   2.625  11.799  29.354
  212   HD23  LEU  27          HD23      LEU  27   2.381  13.451  28.783
  213    H    LEU  28           H        LEU  28   4.469  17.626  29.088
  214    HA   LEU  28           HA       LEU  28   5.945  18.671  31.246
  215    HB2  LEU  28           HB2      LEU  28   6.138  18.954  28.623
  216    HB3  LEU  28           HB3      LEU  28   5.208  20.414  28.952
  217    HG   LEU  28           HG       LEU  28   7.592  20.892  28.816
  218   HD11  LEU  28          HD11      LEU  28   7.156  21.211  31.708
  219   HD12  LEU  28          HD12      LEU  28   5.873  21.828  30.668
  220   HD13  LEU  28          HD13      LEU  28   7.525  22.413  30.472
  221   HD21  LEU  28          HD21      LEU  28   9.214  19.924  30.185
  222   HD22  LEU  28          HD22      LEU  28   8.211  18.560  29.688
  223   HD23  LEU  28          HD23      LEU  28   8.016  19.260  31.296
  224    H    LEU  29           H        LEU  29   2.877  19.662  29.784
  225    HA   LEU  29           HA       LEU  29   2.512  21.994  31.327
  226    HB2  LEU  29           HB2      LEU  29   1.204  20.794  29.243
  227    HB3  LEU  29           HB3      LEU  29   0.068  20.576  30.573
  228    HG   LEU  29           HG       LEU  29   1.099  23.302  30.356
  229   HD11  LEU  29          HD11      LEU  29  -0.683  23.543  28.381
  230   HD12  LEU  29          HD12      LEU  29  -0.046  21.945  27.994
  231   HD13  LEU  29          HD13      LEU  29   1.044  23.327  28.095
  232   HD21  LEU  29          HD21      LEU  29  -0.953  22.148  31.611
  233   HD22  LEU  29          HD22      LEU  29  -1.770  22.611  30.118
  234   HD23  LEU  29          HD23      LEU  29  -0.973  23.837  31.106
  235    H    VAL  30           H        VAL  30   1.427  18.651  31.786
  236    HA   VAL  30           HA       VAL  30  -0.107  19.085  34.100
  237    HB   VAL  30           HB       VAL  30   1.392  16.594  33.277
  238   HG11  VAL  30          HG11      VAL  30   0.876  16.194  35.494
  239   HG12  VAL  30          HG12      VAL  30  -0.608  17.148  35.430
  240   HG13  VAL  30          HG13      VAL  30  -0.546  15.558  34.668
  241   HG21  VAL  30          HG21      VAL  30  -1.511  16.688  32.945
  242   HG22  VAL  30          HG22      VAL  30  -0.640  17.840  31.934
  243   HG23  VAL  30          HG23      VAL  30  -0.261  16.121  31.839
  244    H    TYR  31           H        TYR  31   3.302  18.188  33.696
  245    HA   TYR  31           HA       TYR  31   3.894  17.907  36.434
  246    HB2  TYR  31           HB2      TYR  31   5.377  16.999  34.749
  247    HB3  TYR  31           HB3      TYR  31   5.684  18.606  34.099
  248    HD1  TYR  31           HD1      TYR  31   7.597  19.720  34.767
  249    HD2  TYR  31           HD2      TYR  31   5.992  16.699  37.297
  250    HE1  TYR  31           HE1      TYR  31   9.526  19.965  36.274
  251    HE2  TYR  31           HE2      TYR  31   7.915  16.937  38.812
  252    HH   TYR  31           HH       TYR  31  10.689  18.200  38.076
  253    H    ARG  32           H        ARG  32   4.252  20.664  34.224
  254    HA   ARG  32           HA       ARG  32   5.422  22.440  36.047
  255    HB2  ARG  32           HB2      ARG  32   4.533  22.529  33.382
  256    HB3  ARG  32           HB3      ARG  32   3.668  23.814  34.214
  257    HG2  ARG  32           HG2      ARG  32   5.874  24.622  35.075
  258    HG3  ARG  32           HG3      ARG  32   6.644  23.445  34.009
  259    HD2  ARG  32           HD2      ARG  32   5.936  24.541  32.084
  260    HD3  ARG  32           HD3      ARG  32   4.652  25.402  32.932
  261    HE   ARG  32           HE       ARG  32   7.187  26.174  33.924
  262   HH11  ARG  32          HH11      ARG  32   5.078  26.567  31.183
  263   HH12  ARG  32          HH12      ARG  32   5.707  28.123  30.756
  264   HH21  ARG  32          HH21      ARG  32   8.025  28.222  33.373
  265   HH22  ARG  32          HH22      ARG  32   7.384  29.064  32.002
  266    H    MET  33           H        MET  33   2.031  21.755  35.317
  267    HA   MET  33           HA       MET  33   0.904  23.798  36.888
  268    HB2  MET  33           HB2      MET  33  -0.154  22.129  35.140
  269    HB3  MET  33           HB3      MET  33  -0.486  21.171  36.577
  270    HG2  MET  33           HG2      MET  33  -2.329  22.359  36.847
  271    HG3  MET  33           HG3      MET  33  -1.308  23.742  37.234
  272    HE1  MET  33           HE1      MET  33  -4.066  24.588  36.212
  273    HE2  MET  33           HE2      MET  33  -4.419  24.347  34.501
  274    HE3  MET  33           HE3      MET  33  -4.273  22.956  35.577
  275    H    ARG  34           H        ARG  34   2.367  20.796  37.726
  276    HA   ARG  34           HA       ARG  34   1.097  20.366  40.221
  277    HB2  ARG  34           HB2      ARG  34   2.813  18.922  38.687
  278    HB3  ARG  34           HB3      ARG  34   3.901  19.486  39.949
  279    HG2  ARG  34           HG2      ARG  34   3.214  17.708  41.098
  280    HG3  ARG  34           HG3      ARG  34   1.732  18.622  41.381
  281    HD2  ARG  34           HD2      ARG  34   0.716  16.852  40.450
  282    HD3  ARG  34           HD3      ARG  34   1.249  17.560  38.926
  283    HE   ARG  34           HE       ARG  34   2.674  15.798  38.667
  284   HH11  ARG  34          HH11      ARG  34   1.766  16.014  42.020
  285   HH12  ARG  34          HH12      ARG  34   2.567  14.545  42.467
  286   HH21  ARG  34          HH21      ARG  34   3.733  13.861  39.243
  287   HH22  ARG  34          HH22      ARG  34   3.686  13.321  40.887
  288    H    LYS  35           H        LYS  35   3.811  22.321  39.201
  289    HA   LYS  35           HA       LYS  35   5.011  22.818  41.672
  290    HB2  LYS  35           HB2      LYS  35   4.762  24.803  39.409
  291    HB3  LYS  35           HB3      LYS  35   6.013  24.750  40.645
  292    HG2  LYS  35           HG2      LYS  35   6.602  22.453  39.706
  293    HG3  LYS  35           HG3      LYS  35   5.596  22.896  38.325
  294    HD2  LYS  35           HD2      LYS  35   7.386  23.907  37.467
  295    HD3  LYS  35           HD3      LYS  35   7.236  25.108  38.752
  296    HE2  LYS  35           HE2      LYS  35   8.646  23.643  40.191
  297    HE3  LYS  35           HE3      LYS  35   8.886  22.584  38.802
  298    HZ1  LYS  35           HZ1      LYS  35   9.603  25.462  38.813
  299    HZ2  LYS  35           HZ2      LYS  35  10.001  24.310  37.640
  300    HZ3  LYS  35           HZ3      LYS  35  10.696  24.224  39.180
  Start of MODEL   10
    1    H1   MET   1           H        MET   1   1.521  -0.024 -11.702
    2    HA   MET   1           HA       MET   1   3.558  -1.645 -10.402
    3    HB2  MET   1           HB2      MET   1   3.424   1.342 -10.852
    4    HB3  MET   1           HB3      MET   1   4.810   0.464 -10.218
    5    HG2  MET   1           HG2      MET   1   3.953  -0.671 -12.715
    6    HG3  MET   1           HG3      MET   1   4.244   1.059 -12.881
    7    HE1  MET   1           HE1      MET   1   5.266  -2.297 -12.359
    8    HE2  MET   1           HE2      MET   1   6.820  -2.276 -13.192
    9    HE3  MET   1           HE3      MET   1   6.764  -2.256 -11.429
   10    H    GLU   2           H        GLU   2   4.206  -1.369  -8.237
   11    HA   GLU   2           HA       GLU   2   2.323   0.081  -6.509
   12    HB2  GLU   2           HB2      GLU   2   2.528  -2.728  -6.710
   13    HB3  GLU   2           HB3      GLU   2   3.279  -2.283  -5.184
   14    HG2  GLU   2           HG2      GLU   2   0.783  -0.883  -5.599
   15    HG3  GLU   2           HG3      GLU   2   0.579  -2.633  -5.665
   16    H    GLN   3           H        GLN   3   3.628   1.694  -5.843
   17    HA   GLN   3           HA       GLN   3   5.858   0.992  -4.132
   18    HB2  GLN   3           HB2      GLN   3   6.223   2.052  -6.824
   19    HB3  GLN   3           HB3      GLN   3   6.979   3.058  -5.596
   20    HG2  GLN   3           HG2      GLN   3   8.521   1.491  -5.057
   21    HG3  GLN   3           HG3      GLN   3   7.442   0.144  -5.415
   22   HE21  GLN   3          HE21      GLN   3  10.224   1.441  -6.318
   23   HE22  GLN   3          HE22      GLN   3  10.239   1.054  -8.002
   24    H    SER   4           H        SER   4   5.654   2.167  -2.355
   25    HA   SER   4           HA       SER   4   5.035   4.992  -2.503
   26    HB2  SER   4           HB2      SER   4   3.307   3.768  -0.503
   27    HB3  SER   4           HB3      SER   4   2.914   4.946  -1.755
   28    HG   SER   4           HG       SER   4   2.446   2.290  -1.707
   29    H    THR   5           H        THR   5   7.294   3.402  -1.673
   30    HA   THR   5           HA       THR   5   7.448   3.161   1.134
   31    HB   THR   5           HB       THR   5   9.987   3.327   0.683
   32    HG1  THR   5           HG1      THR   5  10.308   4.134  -1.269
   33   HG21  THR   5          HG21      THR   5   8.981   1.195   1.036
   34   HG22  THR   5          HG22      THR   5   9.974   1.057  -0.415
   35   HG23  THR   5          HG23      THR   5   8.224   1.218  -0.556
   36    H    GLU   6           H        GLU   6   8.362   5.771  -1.081
   37    HA   GLU   6           HA       GLU   6   9.581   7.457   0.792
   38    HB2  GLU   6           HB2      GLU   6   9.829   7.872  -1.569
   39    HB3  GLU   6           HB3      GLU   6   8.097   8.100  -1.758
   40    HG2  GLU   6           HG2      GLU   6   8.126  10.188  -0.795
   41    HG3  GLU   6           HG3      GLU   6   9.615   9.874   0.094
   42    H    VAL   7           H        VAL   7   6.220   7.421  -0.383
   43    HA   VAL   7           HA       VAL   7   5.314   9.503   1.297
   44    HB   VAL   7           HB       VAL   7   4.037   8.896  -0.659
   45   HG11  VAL   7          HG11      VAL   7   4.605   6.480  -0.618
   46   HG12  VAL   7          HG12      VAL   7   3.439   6.267   0.690
   47   HG13  VAL   7          HG13      VAL   7   2.893   6.795  -0.902
   48   HG21  VAL   7          HG21      VAL   7   2.123   9.508   0.308
   49   HG22  VAL   7          HG22      VAL   7   2.023   8.011   1.235
   50   HG23  VAL   7          HG23      VAL   7   2.970   9.366   1.849
   51    H    LEU   8           H        LEU   8   5.308   5.980   1.646
   52    HA   LEU   8           HA       LEU   8   3.836   5.863   4.040
   53    HB2  LEU   8           HB2      LEU   8   5.809   4.031   2.726
   54    HB3  LEU   8           HB3      LEU   8   5.144   3.653   4.314
   55    HG   LEU   8           HG       LEU   8   3.361   4.175   1.955
   56   HD11  LEU   8          HD11      LEU   8   5.224   2.161   1.957
   57   HD12  LEU   8          HD12      LEU   8   3.709   2.163   1.055
   58   HD13  LEU   8          HD13      LEU   8   3.796   1.374   2.630
   59   HD21  LEU   8          HD21      LEU   8   1.964   2.522   3.359
   60   HD22  LEU   8          HD22      LEU   8   2.112   4.190   3.914
   61   HD23  LEU   8          HD23      LEU   8   3.084   2.921   4.662
   62    H    ALA   9           H        ALA   9   7.325   6.050   3.435
   63    HA   ALA   9           HA       ALA   9   8.158   5.855   6.113
   64    HB1  ALA   9           HB1      ALA   9   9.709   5.545   4.284
   65    HB2  ALA   9           HB2      ALA   9   9.494   7.222   3.780
   66    HB3  ALA   9           HB3      ALA   9  10.267   6.857   5.322
   67    H    ALA  10           H        ALA  10   7.372   8.667   4.102
   68    HA   ALA  10           HA       ALA  10   8.077  10.647   5.968
   69    HB1  ALA  10           HB1      ALA  10   7.048  12.177   4.552
   70    HB2  ALA  10           HB2      ALA  10   7.525  10.873   3.464
   71    HB3  ALA  10           HB3      ALA  10   5.850  11.007   3.998
   72    H    VAL  11           H        VAL  11   4.974   9.046   5.321
   73    HA   VAL  11           HA       VAL  11   3.437  10.501   7.167
   74    HB   VAL  11           HB       VAL  11   3.038   7.659   6.221
   75   HG11  VAL  11          HG11      VAL  11   0.561   8.607   6.726
   76   HG12  VAL  11          HG12      VAL  11   1.511   7.670   7.881
   77   HG13  VAL  11          HG13      VAL  11   1.481   9.431   7.984
   78   HG21  VAL  11          HG21      VAL  11   2.213   8.455   4.303
   79   HG22  VAL  11          HG22      VAL  11   1.319   9.738   5.120
   80   HG23  VAL  11          HG23      VAL  11   3.022   9.965   4.722
   81    H    ILE  12           H        ILE  12   5.238   7.467   7.503
   82    HA   ILE  12           HA       ILE  12   4.444   6.859  10.126
   83    HB   ILE  12           HB       ILE  12   7.020   6.172   8.708
   84   HG12  ILE  12          HG12      ILE  12   4.788   4.248   9.208
   85   HG13  ILE  12          HG13      ILE  12   4.620   5.408   7.895
   86   HG21  ILE  12          HG21      ILE  12   6.690   4.196  10.500
   87   HG22  ILE  12          HG22      ILE  12   7.665   5.634  10.802
   88   HG23  ILE  12          HG23      ILE  12   6.011   5.548  11.407
   89   HD11  ILE  12          HD11      ILE  12   6.780   4.581   6.984
   90   HD12  ILE  12          HD12      ILE  12   6.762   3.326   8.223
   91   HD13  ILE  12          HD13      ILE  12   5.489   3.380   7.003
   92    H    ALA  13           H        ALA  13   7.290   8.618   8.922
   93    HA   ALA  13           HA       ALA  13   8.468   9.131  11.413
   94    HB1  ALA  13           HB1      ALA  13  10.038   9.860  10.026
   95    HB2  ALA  13           HB2      ALA  13   8.890   9.912   8.687
   96    HB3  ALA  13           HB3      ALA  13   9.071  11.309   9.748
   97    H    GLY  14           H        GLY  14   6.115  10.998   9.525
   98    HA2  GLY  14           HA2      GLY  14   6.041  13.250  11.226
   99    HA3  GLY  14           HA3      GLY  14   4.785  12.782  10.089
  100    H    GLY  15           H        GLY  15   4.238  10.216  11.251
  101    HA2  GLY  15           HA2      GLY  15   2.360  11.023  13.232
  102    HA3  GLY  15           HA3      GLY  15   2.705   9.371  12.744
  103    H    VAL  16           H        VAL  16   5.450   9.303  13.380
  104    HA   VAL  16           HA       VAL  16   5.315   8.674  16.135
  105    HB   VAL  16           HB       VAL  16   7.748   9.005  14.374
  106   HG11  VAL  16          HG11      VAL  16   8.537   7.255  16.222
  107   HG12  VAL  16          HG12      VAL  16   8.743   8.997  16.416
  108   HG13  VAL  16          HG13      VAL  16   7.390   8.175  17.195
  109   HG21  VAL  16          HG21      VAL  16   7.607   6.740  13.860
  110   HG22  VAL  16          HG22      VAL  16   6.511   6.403  15.200
  111   HG23  VAL  16          HG23      VAL  16   5.928   7.275  13.782
  112    H    ILE  17           H        ILE  17   6.924  11.314  14.378
  113    HA   ILE  17           HA       ILE  17   8.007  12.576  16.656
  114    HB   ILE  17           HB       ILE  17   8.849  13.072  14.431
  115   HG12  ILE  17          HG12      ILE  17   8.915  15.536  14.588
  116   HG13  ILE  17          HG13      ILE  17   7.580  15.491  15.735
  117   HG21  ILE  17          HG21      ILE  17   6.404  14.677  13.809
  118   HG22  ILE  17          HG22      ILE  17   7.632  14.038  12.717
  119   HG23  ILE  17          HG23      ILE  17   6.452  12.951  13.450
  120   HD11  ILE  17          HD11      ILE  17   8.911  14.473  17.388
  121   HD12  ILE  17          HD12      ILE  17  10.193  14.104  16.234
  122   HD13  ILE  17          HD13      ILE  17   9.885  15.775  16.705
  123    H    GLY  18           H        GLY  18   4.978  13.077  14.877
  124    HA2  GLY  18           HA2      GLY  18   4.097  15.324  16.335
  125    HA3  GLY  18           HA3      GLY  18   3.070  14.230  15.421
  126    H    PHE  19           H        PHE  19   3.520  11.858  16.814
  127    HA   PHE  19           HA       PHE  19   1.712  12.145  18.960
  128    HB2  PHE  19           HB2      PHE  19   3.339   9.928  17.825
  129    HB3  PHE  19           HB3      PHE  19   2.721   9.720  19.461
  130    HD1  PHE  19           HD1      PHE  19   0.868   8.381  19.498
  131    HD2  PHE  19           HD2      PHE  19   1.330  11.163  16.310
  132    HE1  PHE  19           HE1      PHE  19  -1.312   7.694  18.587
  133    HE2  PHE  19           HE2      PHE  19  -0.849  10.481  15.394
  134    HZ   PHE  19           HZ       PHE  19  -2.174   8.745  16.533
  135    H    LEU  20           H        LEU  20   5.224  11.717  18.851
  136    HA   LEU  20           HA       LEU  20   5.623  11.508  21.633
  137    HB2  LEU  20           HB2      LEU  20   7.199  11.352  19.379
  138    HB3  LEU  20           HB3      LEU  20   7.793  12.803  20.183
  139    HG   LEU  20           HG       LEU  20   8.004  11.330  22.271
  140   HD11  LEU  20          HD11      LEU  20   7.838   9.180  20.164
  141   HD12  LEU  20          HD12      LEU  20   6.664   9.460  21.449
  142   HD13  LEU  20          HD13      LEU  20   8.304   8.950  21.849
  143   HD21  LEU  20          HD21      LEU  20  10.001  12.045  21.335
  144   HD22  LEU  20          HD22      LEU  20   9.722  11.178  19.824
  145   HD23  LEU  20          HD23      LEU  20  10.156  10.288  21.285
  146    H    PHE  21           H        PHE  21   5.473  14.267  19.450
  147    HA   PHE  21           HA       PHE  21   6.326  16.202  21.347
  148    HB2  PHE  21           HB2      PHE  21   5.711  16.177  18.614
  149    HB3  PHE  21           HB3      PHE  21   4.550  17.287  19.334
  150    HD1  PHE  21           HD1      PHE  21   7.312  17.440  17.548
  151    HD2  PHE  21           HD2      PHE  21   6.040  18.568  21.450
  152    HE1  PHE  21           HE1      PHE  21   9.032  19.198  17.597
  153    HE2  PHE  21           HE2      PHE  21   7.758  20.329  21.505
  154    HZ   PHE  21           HZ       PHE  21   9.256  20.646  19.576
  155    H    ALA  22           H        ALA  22   3.155  15.035  20.308
  156    HA   ALA  22           HA       ALA  22   1.595  16.869  21.763
  157    HB1  ALA  22           HB1      ALA  22   0.219  15.821  20.327
  158    HB2  ALA  22           HB2      ALA  22   1.142  14.318  20.375
  159    HB3  ALA  22           HB3      ALA  22  -0.004  14.690  21.662
  160    H    ILE  23           H        ILE  23   2.747  13.611  22.590
  161    HA   ILE  23           HA       ILE  23   1.527  13.521  25.143
  162    HB   ILE  23           HB       ILE  23   2.276  11.493  23.987
  163   HG12  ILE  23          HG12      ILE  23   4.000  11.093  26.234
  164   HG13  ILE  23          HG13      ILE  23   2.674  12.140  26.726
  165   HG21  ILE  23          HG21      ILE  23   4.643  10.914  23.878
  166   HG22  ILE  23          HG22      ILE  23   4.310  12.393  22.978
  167   HG23  ILE  23          HG23      ILE  23   5.065  12.481  24.569
  168   HD11  ILE  23          HD11      ILE  23   2.688   9.297  26.110
  169   HD12  ILE  23          HD12      ILE  23   1.554  10.250  27.068
  170   HD13  ILE  23          HD13      ILE  23   1.388  10.183  25.314
  171    H    PHE  24           H        PHE  24   4.639  14.680  23.998
  172    HA   PHE  24           HA       PHE  24   5.840  14.995  26.546
  173    HB2  PHE  24           HB2      PHE  24   6.468  15.706  23.773
  174    HB3  PHE  24           HB3      PHE  24   7.067  16.871  24.949
  175    HD1  PHE  24           HD1      PHE  24   8.110  14.275  23.084
  176    HD2  PHE  24           HD2      PHE  24   7.974  15.429  27.178
  177    HE1  PHE  24           HE1      PHE  24  10.022  12.801  23.559
  178    HE2  PHE  24           HE2      PHE  24   9.886  13.957  27.660
  179    HZ   PHE  24           HZ       PHE  24  10.913  12.641  25.849
  180    H    LEU  25           H        LEU  25   3.960  17.144  24.468
  181    HA   LEU  25           HA       LEU  25   4.292  19.472  26.047
  182    HB2  LEU  25           HB2      LEU  25   3.008  18.760  23.635
  183    HB3  LEU  25           HB3      LEU  25   1.786  19.495  24.672
  184    HG   LEU  25           HG       LEU  25   4.407  20.778  23.903
  185   HD11  LEU  25          HD11      LEU  25   3.426  21.283  21.979
  186   HD12  LEU  25          HD12      LEU  25   2.255  22.237  22.889
  187   HD13  LEU  25          HD13      LEU  25   1.906  20.554  22.497
  188   HD21  LEU  25          HD21      LEU  25   2.227  22.448  24.885
  189   HD22  LEU  25          HD22      LEU  25   3.936  22.438  25.323
  190   HD23  LEU  25          HD23      LEU  25   2.824  21.299  26.083
  191    H    ILE  26           H        ILE  26   1.786  16.972  25.929
  192    HA   ILE  26           HA       ILE  26   0.050  18.155  27.810
  193    HB   ILE  26           HB       ILE  26   0.405  15.264  27.022
  194   HG12  ILE  26          HG12      ILE  26  -0.368  16.835  25.254
  195   HG13  ILE  26          HG13      ILE  26  -1.571  15.618  25.665
  196   HG21  ILE  26          HG21      ILE  26  -1.288  16.523  29.073
  197   HG22  ILE  26          HG22      ILE  26  -2.109  15.395  27.996
  198   HG23  ILE  26          HG23      ILE  26  -0.715  14.861  28.935
  199   HD11  ILE  26          HD11      ILE  26  -3.052  17.177  26.174
  200   HD12  ILE  26          HD12      ILE  26  -1.926  17.964  27.281
  201   HD13  ILE  26          HD13      ILE  26  -1.913  18.379  25.567
  202    H    LEU  27           H        LEU  27   2.627  15.740  28.164
  203    HA   LEU  27           HA       LEU  27   2.288  15.284  30.917
  204    HB2  LEU  27           HB2      LEU  27   4.513  14.886  28.973
  205    HB3  LEU  27           HB3      LEU  27   4.839  14.704  30.696
  206    HG   LEU  27           HG       LEU  27   2.625  13.175  29.369
  207   HD11  LEU  27          HD11      LEU  27   3.995  11.635  28.473
  208   HD12  LEU  27          HD12      LEU  27   5.193  11.798  29.756
  209   HD13  LEU  27          HD13      LEU  27   5.151  12.967  28.436
  210   HD21  LEU  27          HD21      LEU  27   2.620  13.196  31.781
  211   HD22  LEU  27          HD22      LEU  27   4.321  12.732  31.823
  212   HD23  LEU  27          HD23      LEU  27   3.112  11.601  31.212
  213    H    LEU  28           H        LEU  28   4.268  17.614  29.144
  214    HA   LEU  28           HA       LEU  28   5.637  18.660  31.380
  215    HB2  LEU  28           HB2      LEU  28   5.120  19.554  28.592
  216    HB3  LEU  28           HB3      LEU  28   5.714  20.742  29.750
  217    HG   LEU  28           HG       LEU  28   7.136  18.141  29.244
  218   HD11  LEU  28          HD11      LEU  28   6.806  19.605  27.168
  219   HD12  LEU  28          HD12      LEU  28   8.449  19.117  27.582
  220   HD13  LEU  28          HD13      LEU  28   7.890  20.745  27.964
  221   HD21  LEU  28          HD21      LEU  28   7.452  20.162  31.140
  222   HD22  LEU  28          HD22      LEU  28   8.727  20.438  29.953
  223   HD23  LEU  28          HD23      LEU  28   8.592  18.872  30.755
  224    H    LEU  29           H        LEU  29   2.608  19.558  29.799
  225    HA   LEU  29           HA       LEU  29   2.134  21.911  31.284
  226    HB2  LEU  29           HB2      LEU  29   0.972  20.797  29.145
  227    HB3  LEU  29           HB3      LEU  29  -0.177  20.296  30.383
  228    HG   LEU  29           HG       LEU  29  -0.432  22.702  31.010
  229   HD11  LEU  29          HD11      LEU  29   0.309  24.064  28.764
  230   HD12  LEU  29          HD12      LEU  29   1.659  22.952  28.985
  231   HD13  LEU  29          HD13      LEU  29   1.199  24.048  30.286
  232   HD21  LEU  29          HD21      LEU  29  -2.129  21.727  29.670
  233   HD22  LEU  29          HD22      LEU  29  -1.122  21.796  28.223
  234   HD23  LEU  29          HD23      LEU  29  -1.740  23.285  28.939
  235    H    VAL  30           H        VAL  30   0.957  18.581  31.712
  236    HA   VAL  30           HA       VAL  30  -0.533  19.095  34.054
  237    HB   VAL  30           HB       VAL  30  -0.871  17.083  32.678
  238   HG11  VAL  30          HG11      VAL  30   1.440  16.598  32.114
  239   HG12  VAL  30          HG12      VAL  30   1.791  16.213  33.800
  240   HG13  VAL  30          HG13      VAL  30   0.689  15.194  32.873
  241   HG21  VAL  30          HG21      VAL  30  -1.684  15.943  34.434
  242   HG22  VAL  30          HG22      VAL  30  -0.109  15.836  35.221
  243   HG23  VAL  30          HG23      VAL  30  -1.078  17.300  35.384
  244    H    TYR  31           H        TYR  31   2.833  18.307  33.495
  245    HA   TYR  31           HA       TYR  31   3.498  17.636  36.164
  246    HB2  TYR  31           HB2      TYR  31   4.941  18.167  33.659
  247    HB3  TYR  31           HB3      TYR  31   5.837  18.595  35.112
  248    HD1  TYR  31           HD1      TYR  31   5.627  16.134  32.825
  249    HD2  TYR  31           HD2      TYR  31   5.288  16.603  37.040
  250    HE1  TYR  31           HE1      TYR  31   6.244  13.773  33.131
  251    HE2  TYR  31           HE2      TYR  31   5.906  14.244  37.358
  252    HH   TYR  31           HH       TYR  31   6.911  12.442  36.278
  253    H    ARG  32           H        ARG  32   4.096  20.625  34.309
  254    HA   ARG  32           HA       ARG  32   5.130  22.149  36.388
  255    HB2  ARG  32           HB2      ARG  32   4.100  22.627  33.720
  256    HB3  ARG  32           HB3      ARG  32   3.678  23.941  34.810
  257    HG2  ARG  32           HG2      ARG  32   5.784  24.686  34.923
  258    HG3  ARG  32           HG3      ARG  32   6.459  23.059  35.019
  259    HD2  ARG  32           HD2      ARG  32   7.252  23.731  32.974
  260    HD3  ARG  32           HD3      ARG  32   5.744  22.950  32.500
  261    HE   ARG  32           HE       ARG  32   5.255  25.673  32.978
  262   HH11  ARG  32          HH11      ARG  32   6.893  23.600  30.710
  263   HH12  ARG  32          HH12      ARG  32   6.710  24.694  29.379
  264   HH21  ARG  32          HH21      ARG  32   5.009  27.121  31.233
  265   HH22  ARG  32          HH22      ARG  32   5.640  26.697  29.678
  266    H    MET  33           H        MET  33   1.770  21.640  35.414
  267    HA   MET  33           HA       MET  33   0.598  23.514  37.153
  268    HB2  MET  33           HB2      MET  33  -0.296  21.339  35.437
  269    HB3  MET  33           HB3      MET  33  -1.261  21.464  36.902
  270    HG2  MET  33           HG2      MET  33  -2.410  22.847  35.492
  271    HG3  MET  33           HG3      MET  33  -1.343  23.994  36.298
  272    HE1  MET  33           HE1      MET  33  -1.235  25.711  35.125
  273    HE2  MET  33           HE2      MET  33   0.007  25.924  33.892
  274    HE3  MET  33           HE3      MET  33  -1.685  25.758  33.420
  275    H    ARG  34           H        ARG  34   1.967  20.405  37.714
  276    HA   ARG  34           HA       ARG  34   0.566  19.806  40.126
  277    HB2  ARG  34           HB2      ARG  34   2.279  18.429  38.441
  278    HB3  ARG  34           HB3      ARG  34   3.231  18.638  39.905
  279    HG2  ARG  34           HG2      ARG  34   2.161  16.603  40.221
  280    HG3  ARG  34           HG3      ARG  34   1.172  17.740  41.139
  281    HD2  ARG  34           HD2      ARG  34  -0.040  17.882  38.736
  282    HD3  ARG  34           HD3      ARG  34   0.545  16.219  38.691
  283    HE   ARG  34           HE       ARG  34  -0.768  16.804  41.148
  284   HH11  ARG  34          HH11      ARG  34  -1.330  16.032  37.800
  285   HH12  ARG  34          HH12      ARG  34  -2.882  15.321  38.089
  286   HH21  ARG  34          HH21      ARG  34  -2.811  15.869  41.542
  287   HH22  ARG  34          HH22      ARG  34  -3.724  15.229  40.218
  288    H    LYS  35           H        LYS  35   3.474  21.574  39.324
  289    HA   LYS  35           HA       LYS  35   4.706  21.689  41.818
  290    HB2  LYS  35           HB2      LYS  35   5.347  22.655  39.415
  291    HB3  LYS  35           HB3      LYS  35   4.714  24.137  40.122
  292    HG2  LYS  35           HG2      LYS  35   6.999  24.218  40.555
  293    HG3  LYS  35           HG3      LYS  35   6.292  23.666  42.076
  294    HD2  LYS  35           HD2      LYS  35   7.429  21.750  41.995
  295    HD3  LYS  35           HD3      LYS  35   6.910  21.442  40.336
  296    HE2  LYS  35           HE2      LYS  35   9.124  21.659  39.924
  297    HE3  LYS  35           HE3      LYS  35   8.710  23.372  39.880
  298    HZ1  LYS  35           HZ1      LYS  35   9.171  22.876  42.516
  299    HZ2  LYS  35           HZ2      LYS  35  10.254  23.609  41.444
  300    HZ3  LYS  35           HZ3      LYS  35  10.353  21.947  41.741
  Start of MODEL   11
    1    H1   MET   1           H        MET   1  13.912   6.825  -5.422
    2    HA   MET   1           HA       MET   1  13.712   9.758  -5.626
    3    HB2  MET   1           HB2      MET   1  15.509   8.730  -7.006
    4    HB3  MET   1           HB3      MET   1  14.285   7.790  -7.849
    5    HG2  MET   1           HG2      MET   1  14.377   9.477  -9.319
    6    HG3  MET   1           HG3      MET   1  13.282  10.259  -8.181
    7    HE1  MET   1           HE1      MET   1  17.446  10.858  -9.370
    8    HE2  MET   1           HE2      MET   1  16.011  10.272 -10.211
    9    HE3  MET   1           HE3      MET   1  16.349  12.002 -10.144
   10    H    GLU   2           H        GLU   2  11.533   9.828  -5.002
   11    HA   GLU   2           HA       GLU   2   9.279   9.824  -5.307
   12    HB2  GLU   2           HB2      GLU   2  10.251  10.681  -7.610
   13    HB3  GLU   2           HB3      GLU   2   9.604   9.156  -8.200
   14    HG2  GLU   2           HG2      GLU   2   7.656  10.483  -6.569
   15    HG3  GLU   2           HG3      GLU   2   8.241  11.570  -7.827
   16    H    GLN   3           H        GLN   3   9.090   7.878  -4.075
   17    HA   GLN   3           HA       GLN   3   7.976   5.692  -5.645
   18    HB2  GLN   3           HB2      GLN   3  10.566   5.550  -4.499
   19    HB3  GLN   3           HB3      GLN   3   9.516   4.518  -3.537
   20    HG2  GLN   3           HG2      GLN   3   8.912   4.000  -6.237
   21    HG3  GLN   3           HG3      GLN   3  10.669   4.031  -6.098
   22   HE21  GLN   3          HE21      GLN   3  11.557   2.757  -4.242
   23   HE22  GLN   3          HE22      GLN   3  10.821   1.230  -3.910
   24    H    SER   4           H        SER   4   6.707   4.192  -4.348
   25    HA   SER   4           HA       SER   4   4.970   5.463  -2.591
   26    HB2  SER   4           HB2      SER   4   5.543   2.497  -2.810
   27    HB3  SER   4           HB3      SER   4   4.117   3.214  -2.060
   28    HG   SER   4           HG       SER   4   4.880   3.287  -4.786
   29    H    THR   5           H        THR   5   7.808   3.470  -1.920
   30    HA   THR   5           HA       THR   5   7.580   3.135   0.807
   31    HB   THR   5           HB       THR   5  10.245   3.494   0.630
   32    HG1  THR   5           HG1      THR   5  10.623   2.606  -1.642
   33   HG21  THR   5          HG21      THR   5   8.491   1.203  -0.170
   34   HG22  THR   5          HG22      THR   5   9.504   1.389   1.262
   35   HG23  THR   5          HG23      THR   5  10.243   1.064  -0.306
   36    H    GLU   6           H        GLU   6   8.843   5.927  -0.967
   37    HA   GLU   6           HA       GLU   6   9.796   7.398   1.206
   38    HB2  GLU   6           HB2      GLU   6  10.176   7.916  -1.218
   39    HB3  GLU   6           HB3      GLU   6   8.531   8.532  -1.292
   40    HG2  GLU   6           HG2      GLU   6   9.704   9.829   0.881
   41    HG3  GLU   6           HG3      GLU   6  10.931   9.823  -0.384
   42    H    VAL   7           H        VAL   7   6.584   7.396  -0.310
   43    HA   VAL   7           HA       VAL   7   5.430   9.380   1.307
   44    HB   VAL   7           HB       VAL   7   4.044   7.033   0.004
   45   HG11  VAL   7          HG11      VAL   7   2.107   8.665  -0.019
   46   HG12  VAL   7          HG12      VAL   7   2.545   7.995   1.554
   47   HG13  VAL   7          HG13      VAL   7   3.035   9.634   1.126
   48   HG21  VAL   7          HG21      VAL   7   4.824   9.744  -1.033
   49   HG22  VAL   7          HG22      VAL   7   5.199   8.161  -1.714
   50   HG23  VAL   7          HG23      VAL   7   3.548   8.779  -1.775
   51    H    LEU   8           H        LEU   8   5.534   5.853   1.668
   52    HA   LEU   8           HA       LEU   8   3.929   5.681   3.964
   53    HB2  LEU   8           HB2      LEU   8   5.202   3.903   2.321
   54    HB3  LEU   8           HB3      LEU   8   6.122   3.748   3.817
   55    HG   LEU   8           HG       LEU   8   3.126   3.498   3.747
   56   HD11  LEU   8          HD11      LEU   8   4.326   1.868   2.203
   57   HD12  LEU   8          HD12      LEU   8   3.279   1.178   3.443
   58   HD13  LEU   8          HD13      LEU   8   5.029   1.176   3.665
   59   HD21  LEU   8          HD21      LEU   8   4.971   2.155   5.668
   60   HD22  LEU   8          HD22      LEU   8   3.302   2.680   5.888
   61   HD23  LEU   8          HD23      LEU   8   4.606   3.868   5.874
   62    H    ALA   9           H        ALA   9   7.439   6.023   3.594
   63    HA   ALA   9           HA       ALA   9   8.101   5.872   6.320
   64    HB1  ALA   9           HB1      ALA   9   9.762   5.645   4.551
   65    HB2  ALA   9           HB2      ALA   9   9.536   7.338   4.109
   66    HB3  ALA   9           HB3      ALA   9  10.215   6.921   5.681
   67    H    ALA  10           H        ALA  10   7.187   8.599   4.271
   68    HA   ALA  10           HA       ALA  10   7.716  10.633   6.164
   69    HB1  ALA  10           HB1      ALA  10   6.219  10.444   3.610
   70    HB2  ALA  10           HB2      ALA  10   5.872  11.815   4.665
   71    HB3  ALA  10           HB3      ALA  10   7.516  11.540   4.087
   72    H    VAL  11           H        VAL  11   4.845   8.706   5.444
   73    HA   VAL  11           HA       VAL  11   3.061  10.119   7.123
   74    HB   VAL  11           HB       VAL  11   2.946   7.231   6.242
   75   HG11  VAL  11          HG11      VAL  11   0.460   7.601   6.620
   76   HG12  VAL  11          HG12      VAL  11   1.466   7.443   8.061
   77   HG13  VAL  11          HG13      VAL  11   0.921   9.036   7.535
   78   HG21  VAL  11          HG21      VAL  11   1.109   9.035   4.944
   79   HG22  VAL  11          HG22      VAL  11   2.776   9.561   4.716
   80   HG23  VAL  11          HG23      VAL  11   2.291   7.936   4.234
   81    H    ILE  12           H        ILE  12   4.936   7.139   7.636
   82    HA   ILE  12           HA       ILE  12   4.076   6.695  10.284
   83    HB   ILE  12           HB       ILE  12   5.111   4.913   9.010
   84   HG12  ILE  12          HG12      ILE  12   6.683   4.073  10.700
   85   HG13  ILE  12          HG13      ILE  12   6.829   5.691  11.378
   86   HG21  ILE  12          HG21      ILE  12   6.692   6.406   7.775
   87   HG22  ILE  12          HG22      ILE  12   7.713   6.416   9.213
   88   HG23  ILE  12          HG23      ILE  12   7.407   4.904   8.358
   89   HD11  ILE  12          HD11      ILE  12   4.144   4.413  11.200
   90   HD12  ILE  12          HD12      ILE  12   5.261   3.941  12.482
   91   HD13  ILE  12          HD13      ILE  12   4.745   5.621  12.336
   92    H    ALA  13           H        ALA  13   6.902   8.376   8.962
   93    HA   ALA  13           HA       ALA  13   8.164   8.940  11.408
   94    HB1  ALA  13           HB1      ALA  13   9.275  10.793  10.111
   95    HB2  ALA  13           HB2      ALA  13   9.426   9.178   9.417
   96    HB3  ALA  13           HB3      ALA  13   8.270  10.324   8.739
   97    H    GLY  14           H        GLY  14   5.796  10.785   9.515
   98    HA2  GLY  14           HA2      GLY  14   5.786  13.079  11.164
   99    HA3  GLY  14           HA3      GLY  14   4.508  12.607  10.054
  100    H    GLY  15           H        GLY  15   3.896  10.093  11.256
  101    HA2  GLY  15           HA2      GLY  15   2.071  10.972  13.250
  102    HA3  GLY  15           HA3      GLY  15   2.379   9.303  12.793
  103    H    VAL  16           H        VAL  16   5.122   9.180  13.401
  104    HA   VAL  16           HA       VAL  16   5.008   8.621  16.171
  105    HB   VAL  16           HB       VAL  16   7.421   8.848  14.367
  106   HG11  VAL  16          HG11      VAL  16   7.101   8.162  17.221
  107   HG12  VAL  16          HG12      VAL  16   8.167   7.118  16.278
  108   HG13  VAL  16          HG13      VAL  16   8.480   8.852  16.365
  109   HG21  VAL  16          HG21      VAL  16   6.195   6.284  15.295
  110   HG22  VAL  16          HG22      VAL  16   5.518   7.133  13.905
  111   HG23  VAL  16          HG23      VAL  16   7.198   6.599  13.878
  112    H    ILE  17           H        ILE  17   6.605  11.202  14.324
  113    HA   ILE  17           HA       ILE  17   7.792  12.485  16.535
  114    HB   ILE  17           HB       ILE  17   6.982  13.605  13.851
  115   HG12  ILE  17          HG12      ILE  17   8.677  11.787  13.824
  116   HG13  ILE  17          HG13      ILE  17   9.319  13.327  13.265
  117   HG21  ILE  17          HG21      ILE  17   7.357  15.612  14.743
  118   HG22  ILE  17          HG22      ILE  17   7.991  14.913  16.232
  119   HG23  ILE  17          HG23      ILE  17   9.054  15.144  14.845
  120   HD11  ILE  17          HD11      ILE  17  10.888  13.309  14.824
  121   HD12  ILE  17          HD12      ILE  17   9.704  13.023  16.100
  122   HD13  ILE  17          HD13      ILE  17  10.389  11.663  15.211
  123    H    GLY  18           H        GLY  18   4.711  13.042  14.855
  124    HA2  GLY  18           HA2      GLY  18   3.918  15.292  16.356
  125    HA3  GLY  18           HA3      GLY  18   2.841  14.224  15.467
  126    H    PHE  19           H        PHE  19   3.300  11.834  16.835
  127    HA   PHE  19           HA       PHE  19   1.554  12.132  19.028
  128    HB2  PHE  19           HB2      PHE  19   3.136   9.903  17.851
  129    HB3  PHE  19           HB3      PHE  19   2.554   9.698  19.500
  130    HD1  PHE  19           HD1      PHE  19   0.786   8.226  19.446
  131    HD2  PHE  19           HD2      PHE  19   1.006  11.306  16.516
  132    HE1  PHE  19           HE1      PHE  19  -1.419   7.559  18.584
  133    HE2  PHE  19           HE2      PHE  19  -1.199  10.644  15.650
  134    HZ   PHE  19           HZ       PHE  19  -2.415   8.769  16.684
  135    H    LEU  20           H        LEU  20   5.059  11.678  18.830
  136    HA   LEU  20           HA       LEU  20   5.529  11.456  21.600
  137    HB2  LEU  20           HB2      LEU  20   7.045  11.201  19.366
  138    HB3  LEU  20           HB3      LEU  20   7.625  12.745  19.989
  139    HG   LEU  20           HG       LEU  20   7.770  11.265  22.230
  140   HD11  LEU  20          HD11      LEU  20   7.888   9.372  19.927
  141   HD12  LEU  20          HD12      LEU  20   7.166   9.162  21.522
  142   HD13  LEU  20          HD13      LEU  20   8.919   9.103  21.333
  143   HD21  LEU  20          HD21      LEU  20   9.815  11.476  20.025
  144   HD22  LEU  20          HD22      LEU  20  10.171  10.967  21.676
  145   HD23  LEU  20          HD23      LEU  20   9.573  12.597  21.364
  146    H    PHE  21           H        PHE  21   5.377  14.230  19.427
  147    HA   PHE  21           HA       PHE  21   6.278  16.151  21.307
  148    HB2  PHE  21           HB2      PHE  21   5.312  16.132  18.588
  149    HB3  PHE  21           HB3      PHE  21   4.571  17.451  19.488
  150    HD1  PHE  21           HD1      PHE  21   5.731  19.429  19.831
  151    HD2  PHE  21           HD2      PHE  21   7.864  15.924  18.699
  152    HE1  PHE  21           HE1      PHE  21   7.777  20.768  19.555
  153    HE2  PHE  21           HE2      PHE  21   9.913  17.257  18.422
  154    HZ   PHE  21           HZ       PHE  21   9.872  19.682  18.851
  155    H    ALA  22           H        ALA  22   3.064  15.026  20.346
  156    HA   ALA  22           HA       ALA  22   1.567  16.858  21.866
  157    HB1  ALA  22           HB1      ALA  22   1.048  14.322  20.469
  158    HB2  ALA  22           HB2      ALA  22  -0.060  14.700  21.789
  159    HB3  ALA  22           HB3      ALA  22   0.143  15.836  20.455
  160    H    ILE  23           H        ILE  23   2.762  13.605  22.633
  161    HA   ILE  23           HA       ILE  23   1.590  13.458  25.203
  162    HB   ILE  23           HB       ILE  23   3.986  12.012  24.071
  163   HG12  ILE  23          HG12      ILE  23   1.813  11.602  22.937
  164   HG13  ILE  23          HG13      ILE  23   2.448  10.166  23.734
  165   HG21  ILE  23          HG21      ILE  23   3.298  10.367  25.974
  166   HG22  ILE  23          HG22      ILE  23   4.327  11.753  26.333
  167   HG23  ILE  23          HG23      ILE  23   2.605  11.813  26.708
  168   HD11  ILE  23          HD11      ILE  23   0.751  11.601  25.535
  169   HD12  ILE  23          HD12      ILE  23  -0.089  11.304  24.013
  170   HD13  ILE  23          HD13      ILE  23   0.597   9.956  24.919
  171    H    PHE  24           H        PHE  24   4.667  14.686  24.028
  172    HA   PHE  24           HA       PHE  24   5.859  15.024  26.588
  173    HB2  PHE  24           HB2      PHE  24   6.554  15.555  23.825
  174    HB3  PHE  24           HB3      PHE  24   7.028  16.894  24.865
  175    HD1  PHE  24           HD1      PHE  24   8.187  14.011  23.431
  176    HD2  PHE  24           HD2      PHE  24   8.082  15.968  27.209
  177    HE1  PHE  24           HE1      PHE  24  10.179  12.750  24.135
  178    HE2  PHE  24           HE2      PHE  24  10.074  14.711  27.919
  179    HZ   PHE  24           HZ       PHE  24  11.126  13.100  26.381
  180    H    LEU  25           H        LEU  25   3.928  17.085  24.487
  181    HA   LEU  25           HA       LEU  25   4.276  19.479  25.961
  182    HB2  LEU  25           HB2      LEU  25   2.284  18.529  23.941
  183    HB3  LEU  25           HB3      LEU  25   2.041  20.059  24.781
  184    HG   LEU  25           HG       LEU  25   4.601  19.525  23.322
  185   HD11  LEU  25          HD11      LEU  25   3.527  20.709  21.374
  186   HD12  LEU  25          HD12      LEU  25   1.972  20.372  22.133
  187   HD13  LEU  25          HD13      LEU  25   3.016  19.041  21.635
  188   HD21  LEU  25          HD21      LEU  25   3.164  22.132  23.514
  189   HD22  LEU  25          HD22      LEU  25   4.894  21.803  23.407
  190   HD23  LEU  25          HD23      LEU  25   4.033  21.518  24.921
  191    H    ILE  26           H        ILE  26   1.745  16.991  25.980
  192    HA   ILE  26           HA       ILE  26   0.107  18.227  27.917
  193    HB   ILE  26           HB       ILE  26  -0.785  16.473  26.514
  194   HG12  ILE  26          HG12      ILE  26  -1.885  15.089  28.225
  195   HG13  ILE  26          HG13      ILE  26  -0.679  15.587  29.406
  196   HG21  ILE  26          HG21      ILE  26  -0.088  14.181  26.644
  197   HG22  ILE  26          HG22      ILE  26   1.330  15.182  26.336
  198   HG23  ILE  26          HG23      ILE  26   1.033  14.550  27.955
  199   HD11  ILE  26          HD11      ILE  26  -2.843  16.771  29.602
  200   HD12  ILE  26          HD12      ILE  26  -1.467  17.843  29.343
  201   HD13  ILE  26          HD13      ILE  26  -2.559  17.472  28.009
  202    H    LEU  27           H        LEU  27   2.689  15.815  28.180
  203    HA   LEU  27           HA       LEU  27   2.439  15.336  30.940
  204    HB2  LEU  27           HB2      LEU  27   3.899  14.243  28.971
  205    HB3  LEU  27           HB3      LEU  27   5.139  15.230  29.743
  206    HG   LEU  27           HG       LEU  27   3.525  13.491  31.515
  207   HD11  LEU  27          HD11      LEU  27   5.175  12.479  29.283
  208   HD12  LEU  27          HD12      LEU  27   3.815  11.734  30.121
  209   HD13  LEU  27          HD13      LEU  27   5.417  11.722  30.858
  210   HD21  LEU  27          HD21      LEU  27   5.349  13.603  32.861
  211   HD22  LEU  27          HD22      LEU  27   5.624  15.078  31.935
  212   HD23  LEU  27          HD23      LEU  27   6.485  13.597  31.512
  213    H    LEU  28           H        LEU  28   4.399  17.659  29.124
  214    HA   LEU  28           HA       LEU  28   5.810  18.709  31.322
  215    HB2  LEU  28           HB2      LEU  28   5.425  19.349  28.520
  216    HB3  LEU  28           HB3      LEU  28   5.542  20.798  29.517
  217    HG   LEU  28           HG       LEU  28   7.704  20.135  28.556
  218   HD11  LEU  28          HD11      LEU  28   8.949  20.009  30.770
  219   HD12  LEU  28          HD12      LEU  28   7.362  20.026  31.537
  220   HD13  LEU  28          HD13      LEU  28   7.870  21.385  30.535
  221   HD21  LEU  28          HD21      LEU  28   7.205  17.678  28.579
  222   HD22  LEU  28          HD22      LEU  28   7.526  17.695  30.314
  223   HD23  LEU  28          HD23      LEU  28   8.806  18.117  29.175
  224    H    LEU  29           H        LEU  29   2.763  19.666  29.795
  225    HA   LEU  29           HA       LEU  29   2.325  21.984  31.336
  226    HB2  LEU  29           HB2      LEU  29   1.128  21.562  29.271
  227    HB3  LEU  29           HB3      LEU  29   0.361  20.141  29.980
  228    HG   LEU  29           HG       LEU  29  -0.580  21.889  31.697
  229   HD11  LEU  29          HD11      LEU  29  -1.083  23.937  29.991
  230   HD12  LEU  29          HD12      LEU  29   0.587  23.548  29.579
  231   HD13  LEU  29          HD13      LEU  29   0.161  23.955  31.241
  232   HD21  LEU  29          HD21      LEU  29  -2.559  21.662  30.625
  233   HD22  LEU  29          HD22      LEU  29  -1.637  20.505  29.663
  234   HD23  LEU  29          HD23      LEU  29  -1.897  22.144  29.063
  235    H    VAL  30           H        VAL  30   1.288  18.622  31.775
  236    HA   VAL  30           HA       VAL  30  -0.289  19.030  34.064
  237    HB   VAL  30           HB       VAL  30   1.254  16.563  33.250
  238   HG11  VAL  30          HG11      VAL  30   0.670  15.787  35.258
  239   HG12  VAL  30          HG12      VAL  30  -0.394  17.159  35.568
  240   HG13  VAL  30          HG13      VAL  30  -0.986  15.772  34.654
  241   HG21  VAL  30          HG21      VAL  30  -1.616  16.501  32.891
  242   HG22  VAL  30          HG22      VAL  30  -0.875  17.814  31.976
  243   HG23  VAL  30          HG23      VAL  30  -0.329  16.155  31.736
  244    H    TYR  31           H        TYR  31   3.138  18.180  33.712
  245    HA   TYR  31           HA       TYR  31   3.668  17.940  36.479
  246    HB2  TYR  31           HB2      TYR  31   5.253  18.059  33.991
  247    HB3  TYR  31           HB3      TYR  31   6.091  18.602  35.440
  248    HD1  TYR  31           HD1      TYR  31   7.596  16.903  35.954
  249    HD2  TYR  31           HD2      TYR  31   3.569  15.889  35.026
  250    HE1  TYR  31           HE1      TYR  31   8.048  14.565  36.571
  251    HE2  TYR  31           HE2      TYR  31   4.010  13.549  35.642
  252    HH   TYR  31           HH       TYR  31   5.711  12.030  36.003
  253    H    ARG  32           H        ARG  32   3.953  20.631  34.201
  254    HA   ARG  32           HA       ARG  32   5.228  22.461  35.884
  255    HB2  ARG  32           HB2      ARG  32   4.639  22.587  33.343
  256    HB3  ARG  32           HB3      ARG  32   3.154  23.340  33.907
  257    HG2  ARG  32           HG2      ARG  32   4.528  25.148  33.474
  258    HG3  ARG  32           HG3      ARG  32   4.713  24.921  35.215
  259    HD2  ARG  32           HD2      ARG  32   6.911  25.006  34.738
  260    HD3  ARG  32           HD3      ARG  32   6.680  23.315  34.296
  261    HE   ARG  32           HE       ARG  32   6.205  25.137  32.129
  262   HH11  ARG  32          HH11      ARG  32   8.628  23.343  33.872
  263   HH12  ARG  32          HH12      ARG  32   9.739  23.301  32.543
  264   HH21  ARG  32          HH21      ARG  32   7.659  25.087  30.373
  265   HH22  ARG  32          HH22      ARG  32   9.187  24.294  30.553
  266    H    MET  33           H        MET  33   1.803  21.700  35.474
  267    HA   MET  33           HA       MET  33   0.787  23.771  37.094
  268    HB2  MET  33           HB2      MET  33  -0.277  21.694  35.565
  269    HB3  MET  33           HB3      MET  33  -0.808  21.349  37.206
  270    HG2  MET  33           HG2      MET  33  -1.645  23.707  37.329
  271    HG3  MET  33           HG3      MET  33  -1.297  23.844  35.607
  272    HE1  MET  33           HE1      MET  33  -4.519  23.614  34.464
  273    HE2  MET  33           HE2      MET  33  -4.817  24.137  36.121
  274    HE3  MET  33           HE3      MET  33  -3.368  24.678  35.273
  275    H    ARG  34           H        ARG  34   2.342  20.793  37.848
  276    HA   ARG  34           HA       ARG  34   1.291  20.472  40.480
  277    HB2  ARG  34           HB2      ARG  34   2.871  18.958  38.757
  278    HB3  ARG  34           HB3      ARG  34   3.942  19.346  40.097
  279    HG2  ARG  34           HG2      ARG  34   2.631  18.220  41.642
  280    HG3  ARG  34           HG3      ARG  34   1.201  18.271  40.610
  281    HD2  ARG  34           HD2      ARG  34   2.899  16.868  39.042
  282    HD3  ARG  34           HD3      ARG  34   3.455  16.376  40.642
  283    HE   ARG  34           HE       ARG  34   0.688  16.157  40.635
  284   HH11  ARG  34          HH11      ARG  34   3.406  14.738  38.987
  285   HH12  ARG  34          HH12      ARG  34   2.620  13.215  38.728
  286   HH21  ARG  34          HH21      ARG  34  -0.358  14.158  40.299
  287   HH22  ARG  34          HH22      ARG  34   0.479  12.887  39.473
  288    H    LYS  35           H        LYS  35   3.993  22.199  39.088
  289    HA   LYS  35           HA       LYS  35   5.567  22.660  41.315
  290    HB2  LYS  35           HB2      LYS  35   5.970  23.349  38.883
  291    HB3  LYS  35           HB3      LYS  35   5.007  24.776  39.244
  292    HG2  LYS  35           HG2      LYS  35   6.836  25.767  39.990
  293    HG3  LYS  35           HG3      LYS  35   6.911  24.582  41.296
  294    HD2  LYS  35           HD2      LYS  35   7.943  23.718  38.661
  295    HD3  LYS  35           HD3      LYS  35   8.888  24.939  39.518
  296    HE2  LYS  35           HE2      LYS  35   7.950  22.513  40.982
  297    HE3  LYS  35           HE3      LYS  35   9.338  22.387  39.903
  298    HZ1  LYS  35           HZ1      LYS  35  10.106  24.485  41.229
  299    HZ2  LYS  35           HZ2      LYS  35  10.357  22.933  41.853
  300    HZ3  LYS  35           HZ3      LYS  35   9.067  23.872  42.415
  Start of MODEL   12
    1    H1   MET   1           H        MET   1  -3.153  -0.960   0.026
    2    HA   MET   1           HA       MET   1  -1.432  -0.401  -1.400
    3    HB2  MET   1           HB2      MET   1  -2.804   1.658  -1.120
    4    HB3  MET   1           HB3      MET   1  -1.700   2.184   0.144
    5    HG2  MET   1           HG2      MET   1  -0.152   2.867  -1.317
    6    HG3  MET   1           HG3      MET   1  -0.395   1.479  -2.376
    7    HE1  MET   1           HE1      MET   1  -1.962   1.144  -3.965
    8    HE2  MET   1           HE2      MET   1  -3.071   2.292  -4.716
    9    HE3  MET   1           HE3      MET   1  -1.349   2.348  -5.099
   10    H    GLU   2           H        GLU   2   0.564  -1.180  -1.301
   11    HA   GLU   2           HA       GLU   2   2.300  -0.314   0.917
   12    HB2  GLU   2           HB2      GLU   2   1.576  -2.855   0.450
   13    HB3  GLU   2           HB3      GLU   2   2.973  -2.767  -0.614
   14    HG2  GLU   2           HG2      GLU   2   3.968  -3.492   1.298
   15    HG3  GLU   2           HG3      GLU   2   4.128  -1.749   1.509
   16    H    GLN   3           H        GLN   3   1.959   1.176  -1.487
   17    HA   GLN   3           HA       GLN   3   4.546   0.762  -2.827
   18    HB2  GLN   3           HB2      GLN   3   1.903   1.431  -3.808
   19    HB3  GLN   3           HB3      GLN   3   3.088   2.630  -4.306
   20    HG2  GLN   3           HG2      GLN   3   4.480   0.498  -4.959
   21    HG3  GLN   3           HG3      GLN   3   2.882  -0.246  -5.015
   22   HE21  GLN   3          HE21      GLN   3   4.804   2.430  -6.262
   23   HE22  GLN   3          HE22      GLN   3   3.955   2.581  -7.758
   24    H    SER   4           H        SER   4   5.276   3.021  -3.830
   25    HA   SER   4           HA       SER   4   6.358   4.964  -3.331
   26    HB2  SER   4           HB2      SER   4   3.993   5.756  -1.654
   27    HB3  SER   4           HB3      SER   4   4.982   6.755  -2.720
   28    HG   SER   4           HG       SER   4   2.782   6.043  -3.454
   29    H    THR   5           H        THR   5   7.770   3.545  -1.972
   30    HA   THR   5           HA       THR   5   7.563   3.197   0.755
   31    HB   THR   5           HB       THR   5  10.294   3.816   0.157
   32    HG1  THR   5           HG1      THR   5  10.357   2.130  -1.605
   33   HG21  THR   5          HG21      THR   5   9.398   2.111   1.747
   34   HG22  THR   5          HG22      THR   5  10.636   1.490   0.655
   35   HG23  THR   5          HG23      THR   5   8.936   1.129   0.357
   36    H    GLU   6           H        GLU   6   8.817   5.995  -1.015
   37    HA   GLU   6           HA       GLU   6   9.790   7.454   1.159
   38    HB2  GLU   6           HB2      GLU   6   9.923   7.886  -1.424
   39    HB3  GLU   6           HB3      GLU   6   8.469   8.835  -1.147
   40    HG2  GLU   6           HG2      GLU   6   9.571  10.398   0.142
   41    HG3  GLU   6           HG3      GLU   6  10.888   9.295   0.538
   42    H    VAL   7           H        VAL   7   6.567   7.466  -0.333
   43    HA   VAL   7           HA       VAL   7   5.430   9.444   1.301
   44    HB   VAL   7           HB       VAL   7   4.042   7.107  -0.018
   45   HG11  VAL   7          HG11      VAL   7   2.091   8.731   0.010
   46   HG12  VAL   7          HG12      VAL   7   2.541   8.013   1.558
   47   HG13  VAL   7          HG13      VAL   7   3.020   9.668   1.179
   48   HG21  VAL   7          HG21      VAL   7   4.351   9.915  -1.060
   49   HG22  VAL   7          HG22      VAL   7   5.412   8.584  -1.522
   50   HG23  VAL   7          HG23      VAL   7   3.692   8.515  -1.906
   51    H    LEU   8           H        LEU   8   5.529   5.915   1.645
   52    HA   LEU   8           HA       LEU   8   3.941   5.736   3.952
   53    HB2  LEU   8           HB2      LEU   8   5.350   3.981   2.304
   54    HB3  LEU   8           HB3      LEU   8   6.050   3.763   3.907
   55    HG   LEU   8           HG       LEU   8   3.204   3.755   4.136
   56   HD11  LEU   8          HD11      LEU   8   3.023   3.121   1.848
   57   HD12  LEU   8          HD12      LEU   8   2.793   1.669   2.821
   58   HD13  LEU   8          HD13      LEU   8   4.332   1.950   2.007
   59   HD21  LEU   8          HD21      LEU   8   5.100   1.432   4.382
   60   HD22  LEU   8          HD22      LEU   8   3.580   1.696   5.237
   61   HD23  LEU   8          HD23      LEU   8   4.981   2.706   5.595
   62    H    ALA   9           H        ALA   9   7.449   6.072   3.557
   63    HA   ALA   9           HA       ALA   9   8.131   5.907   6.278
   64    HB1  ALA   9           HB1      ALA   9   9.783   5.682   4.507
   65    HB2  ALA   9           HB2      ALA   9   9.548   7.370   4.053
   66    HB3  ALA   9           HB3      ALA   9  10.241   6.969   5.624
   67    H    ALA  10           H        ALA  10   7.207   8.646   4.248
   68    HA   ALA  10           HA       ALA  10   7.754  10.669   6.147
   69    HB1  ALA  10           HB1      ALA  10   7.501  11.702   4.169
   70    HB2  ALA  10           HB2      ALA  10   6.383  10.483   3.558
   71    HB3  ALA  10           HB3      ALA  10   5.797  11.763   4.620
   72    H    VAL  11           H        VAL  11   4.874   8.751   5.440
   73    HA   VAL  11           HA       VAL  11   3.106  10.159   7.138
   74    HB   VAL  11           HB       VAL  11   2.975   7.273   6.253
   75   HG11  VAL  11          HG11      VAL  11   1.211   8.959   7.887
   76   HG12  VAL  11          HG12      VAL  11   0.407   8.086   6.581
   77   HG13  VAL  11          HG13      VAL  11   1.338   7.203   7.792
   78   HG21  VAL  11          HG21      VAL  11   2.780   9.635   4.747
   79   HG22  VAL  11          HG22      VAL  11   2.373   7.996   4.239
   80   HG23  VAL  11          HG23      VAL  11   1.132   9.035   4.939
   81    H    ILE  12           H        ILE  12   4.978   7.173   7.623
   82    HA   ILE  12           HA       ILE  12   4.137   6.718  10.275
   83    HB   ILE  12           HB       ILE  12   5.161   4.941   8.985
   84   HG12  ILE  12          HG12      ILE  12   7.094   5.548  11.213
   85   HG13  ILE  12          HG13      ILE  12   5.417   5.127  11.543
   86   HG21  ILE  12          HG21      ILE  12   6.734   6.438   7.746
   87   HG22  ILE  12          HG22      ILE  12   7.766   6.439   9.175
   88   HG23  ILE  12          HG23      ILE  12   7.451   4.932   8.316
   89   HD11  ILE  12          HD11      ILE  12   6.991   3.223  11.695
   90   HD12  ILE  12          HD12      ILE  12   5.695   2.983  10.523
   91   HD13  ILE  12          HD13      ILE  12   7.316   3.405   9.971
   92    H    ALA  13           H        ALA  13   6.957   8.401   8.942
   93    HA   ALA  13           HA       ALA  13   8.236   8.951  11.382
   94    HB1  ALA  13           HB1      ALA  13   9.499  10.621  10.160
   95    HB2  ALA  13           HB2      ALA  13   9.325   9.159   9.187
   96    HB3  ALA  13           HB3      ALA  13   8.329  10.573   8.841
   97    H    GLY  14           H        GLY  14   5.864  10.814   9.510
   98    HA2  GLY  14           HA2      GLY  14   5.867  13.098  11.171
   99    HA3  GLY  14           HA3      GLY  14   4.580  12.634  10.067
  100    H    GLY  15           H        GLY  15   3.977  10.113  11.266
  101    HA2  GLY  15           HA2      GLY  15   2.167  10.988  13.276
  102    HA3  GLY  15           HA3      GLY  15   2.468   9.321  12.810
  103    H    VAL  16           H        VAL  16   5.220   9.199  13.395
  104    HA   VAL  16           HA       VAL  16   5.126   8.620  16.162
  105    HB   VAL  16           HB       VAL  16   7.553   8.890  14.381
  106   HG11  VAL  16          HG11      VAL  16   8.220   8.966  16.679
  107   HG12  VAL  16          HG12      VAL  16   7.175   7.602  17.080
  108   HG13  VAL  16          HG13      VAL  16   8.590   7.359  16.055
  109   HG21  VAL  16          HG21      VAL  16   6.757   6.198  15.051
  110   HG22  VAL  16          HG22      VAL  16   5.456   7.057  14.225
  111   HG23  VAL  16          HG23      VAL  16   7.044   6.923  13.469
  112    H    ILE  17           H        ILE  17   6.730  11.209  14.328
  113    HA   ILE  17           HA       ILE  17   7.903  12.481  16.554
  114    HB   ILE  17           HB       ILE  17   7.326  13.288  13.744
  115   HG12  ILE  17          HG12      ILE  17   9.822  13.872  13.965
  116   HG13  ILE  17          HG13      ILE  17   9.749  13.048  15.518
  117   HG21  ILE  17          HG21      ILE  17   7.925  15.179  15.995
  118   HG22  ILE  17          HG22      ILE  17   8.384  15.540  14.332
  119   HG23  ILE  17          HG23      ILE  17   6.686  15.304  14.747
  120   HD11  ILE  17          HD11      ILE  17   9.283  11.886  12.791
  121   HD12  ILE  17          HD12      ILE  17  10.553  11.485  13.948
  122   HD13  ILE  17          HD13      ILE  17   8.880  11.040  14.284
  123    H    GLY  18           H        GLY  18   4.842  13.051  14.843
  124    HA2  GLY  18           HA2      GLY  18   4.043  15.305  16.333
  125    HA3  GLY  18           HA3      GLY  18   2.971  14.239  15.437
  126    H    PHE  19           H        PHE  19   3.409  11.850  16.814
  127    HA   PHE  19           HA       PHE  19   1.647  12.160  18.993
  128    HB2  PHE  19           HB2      PHE  19   3.139   9.944  17.741
  129    HB3  PHE  19           HB3      PHE  19   2.753   9.716  19.443
  130    HD1  PHE  19           HD1      PHE  19   0.763   8.702  19.956
  131    HD2  PHE  19           HD2      PHE  19   1.100  10.845  16.294
  132    HE1  PHE  19           HE1      PHE  19  -1.518   8.010  19.345
  133    HE2  PHE  19           HE2      PHE  19  -1.181  10.158  15.678
  134    HZ   PHE  19           HZ       PHE  19  -2.493   8.740  17.205
  135    H    LEU  20           H        LEU  20   5.150  11.689  18.822
  136    HA   LEU  20           HA       LEU  20   5.599  11.468  21.595
  137    HB2  LEU  20           HB2      LEU  20   7.222  11.910  19.184
  138    HB3  LEU  20           HB3      LEU  20   7.915  12.541  20.677
  139    HG   LEU  20           HG       LEU  20   7.087   9.675  20.217
  140   HD11  LEU  20          HD11      LEU  20   9.663   9.428  20.463
  141   HD12  LEU  20          HD12      LEU  20   9.690  11.114  19.948
  142   HD13  LEU  20          HD13      LEU  20   8.972   9.886  18.906
  143   HD21  LEU  20          HD21      LEU  20   8.321  11.127  22.539
  144   HD22  LEU  20          HD22      LEU  20   8.508   9.387  22.318
  145   HD23  LEU  20          HD23      LEU  20   6.899  10.083  22.518
  146    H    PHE  21           H        PHE  21   5.472  14.241  19.420
  147    HA   PHE  21           HA       PHE  21   6.367  16.159  21.306
  148    HB2  PHE  21           HB2      PHE  21   5.987  16.228  18.644
  149    HB3  PHE  21           HB3      PHE  21   4.503  17.019  19.164
  150    HD1  PHE  21           HD1      PHE  21   4.584  19.302  19.143
  151    HD2  PHE  21           HD2      PHE  21   8.116  17.132  20.109
  152    HE1  PHE  21           HE1      PHE  21   5.807  21.420  19.411
  153    HE2  PHE  21           HE2      PHE  21   9.344  19.247  20.380
  154    HZ   PHE  21           HZ       PHE  21   8.190  21.394  20.032
  155    H    ALA  22           H        ALA  22   3.157  15.048  20.316
  156    HA   ALA  22           HA       ALA  22   1.654  16.888  21.819
  157    HB1  ALA  22           HB1      ALA  22   0.239  15.869  20.398
  158    HB2  ALA  22           HB2      ALA  22   1.137  14.351  20.424
  159    HB3  ALA  22           HB3      ALA  22   0.019  14.737  21.732
  160    H    ILE  23           H        ILE  23   2.832  13.633  22.605
  161    HA   ILE  23           HA       ILE  23   1.634  13.491  25.162
  162    HB   ILE  23           HB       ILE  23   4.044  12.048  24.057
  163   HG12  ILE  23          HG12      ILE  23   1.881  11.629  22.907
  164   HG13  ILE  23          HG13      ILE  23   2.514  10.197  23.712
  165   HG21  ILE  23          HG21      ILE  23   3.089  10.447  26.026
  166   HG22  ILE  23          HG22      ILE  23   4.441  11.563  26.214
  167   HG23  ILE  23          HG23      ILE  23   2.823  12.044  26.726
  168   HD11  ILE  23          HD11      ILE  23   0.783  11.663  25.474
  169   HD12  ILE  23          HD12      ILE  23  -0.031  11.289  23.955
  170   HD13  ILE  23          HD13      ILE  23   0.674   9.993  24.919
  171    H    PHE  24           H        PHE  24   4.744  14.689  24.029
  172    HA   PHE  24           HA       PHE  24   5.915  15.034  26.585
  173    HB2  PHE  24           HB2      PHE  24   6.631  15.536  23.848
  174    HB3  PHE  24           HB3      PHE  24   7.005  16.956  24.820
  175    HD1  PHE  24           HD1      PHE  24   9.005  17.046  25.960
  176    HD2  PHE  24           HD2      PHE  24   7.437  13.257  24.819
  177    HE1  PHE  24           HE1      PHE  24  11.062  15.957  26.759
  178    HE2  PHE  24           HE2      PHE  24   9.491  12.163  25.617
  179    HZ   PHE  24           HZ       PHE  24  11.306  13.513  26.589
  180    H    LEU  25           H        LEU  25   4.019  17.144  24.485
  181    HA   LEU  25           HA       LEU  25   4.316  19.492  26.039
  182    HB2  LEU  25           HB2      LEU  25   2.296  18.618  23.996
  183    HB3  LEU  25           HB3      LEU  25   2.188  20.178  24.808
  184    HG   LEU  25           HG       LEU  25   4.728  19.482  23.418
  185   HD11  LEU  25          HD11      LEU  25   3.853  19.337  21.389
  186   HD12  LEU  25          HD12      LEU  25   3.004  20.866  21.616
  187   HD13  LEU  25          HD13      LEU  25   2.238  19.353  22.098
  188   HD21  LEU  25          HD21      LEU  25   3.217  22.077  23.463
  189   HD22  LEU  25          HD22      LEU  25   4.937  21.805  23.181
  190   HD23  LEU  25          HD23      LEU  25   4.262  21.580  24.795
  191    H    ILE  26           H        ILE  26   1.850  16.951  25.963
  192    HA   ILE  26           HA       ILE  26   0.104  18.129  27.839
  193    HB   ILE  26           HB       ILE  26   0.502  15.238  27.074
  194   HG12  ILE  26          HG12      ILE  26  -0.321  16.785  25.306
  195   HG13  ILE  26          HG13      ILE  26  -1.495  15.546  25.738
  196   HG21  ILE  26          HG21      ILE  26  -1.862  15.049  28.084
  197   HG22  ILE  26          HG22      ILE  26  -0.477  15.062  29.175
  198   HG23  ILE  26          HG23      ILE  26  -1.441  16.522  28.956
  199   HD11  ILE  26          HD11      ILE  26  -1.927  18.274  25.598
  200   HD12  ILE  26          HD12      ILE  26  -2.998  17.067  26.310
  201   HD13  ILE  26          HD13      ILE  26  -1.844  17.930  27.325
  202    H    LEU  27           H        LEU  27   2.722  15.760  28.208
  203    HA   LEU  27           HA       LEU  27   2.404  15.328  30.967
  204    HB2  LEU  27           HB2      LEU  27   4.246  14.588  28.908
  205    HB3  LEU  27           HB3      LEU  27   5.144  15.094  30.337
  206    HG   LEU  27           HG       LEU  27   3.648  13.446  31.618
  207   HD11  LEU  27          HD11      LEU  27   3.303  12.282  28.864
  208   HD12  LEU  27          HD12      LEU  27   2.046  13.179  29.716
  209   HD13  LEU  27          HD13      LEU  27   2.658  11.667  30.386
  210   HD21  LEU  27          HD21      LEU  27   5.489  12.141  29.643
  211   HD22  LEU  27          HD22      LEU  27   5.221  11.745  31.341
  212   HD23  LEU  27          HD23      LEU  27   6.102  13.210  30.905
  213    H    LEU  28           H        LEU  28   4.336  17.673  29.159
  214    HA   LEU  28           HA       LEU  28   5.696  18.766  31.377
  215    HB2  LEU  28           HB2      LEU  28   5.984  19.038  28.751
  216    HB3  LEU  28           HB3      LEU  28   5.028  20.488  29.052
  217    HG   LEU  28           HG       LEU  28   7.599  19.890  30.501
  218   HD11  LEU  28          HD11      LEU  28   7.940  21.972  28.627
  219   HD12  LEU  28          HD12      LEU  28   7.251  20.598  27.764
  220   HD13  LEU  28          HD13      LEU  28   8.746  20.405  28.678
  221   HD21  LEU  28          HD21      LEU  28   7.516  22.393  30.792
  222   HD22  LEU  28          HD22      LEU  28   6.292  21.479  31.674
  223   HD23  LEU  28          HD23      LEU  28   5.861  22.326  30.187
  224    H    LEU  29           H        LEU  29   2.643  19.588  29.805
  225    HA   LEU  29           HA       LEU  29   2.134  21.953  31.259
  226    HB2  LEU  29           HB2      LEU  29   0.891  20.507  29.228
  227    HB3  LEU  29           HB3      LEU  29  -0.271  20.512  30.553
  228    HG   LEU  29           HG       LEU  29  -0.658  22.340  28.964
  229   HD11  LEU  29          HD11      LEU  29  -1.179  23.897  30.563
  230   HD12  LEU  29          HD12      LEU  29   0.336  23.670  31.437
  231   HD13  LEU  29          HD13      LEU  29  -0.945  22.465  31.566
  232   HD21  LEU  29          HD21      LEU  29   0.967  23.625  28.155
  233   HD22  LEU  29          HD22      LEU  29   2.115  22.547  28.950
  234   HD23  LEU  29          HD23      LEU  29   1.560  24.006  29.772
  235    H    VAL  30           H        VAL  30   1.027  18.607  31.748
  236    HA   VAL  30           HA       VAL  30  -0.453  19.129  34.095
  237    HB   VAL  30           HB       VAL  30  -0.772  17.091  32.760
  238   HG11  VAL  30          HG11      VAL  30   1.932  16.299  33.838
  239   HG12  VAL  30          HG12      VAL  30   0.833  15.236  32.956
  240   HG13  VAL  30          HG13      VAL  30   1.534  16.643  32.155
  241   HG21  VAL  30          HG21      VAL  30   0.123  16.114  35.432
  242   HG22  VAL  30          HG22      VAL  30  -1.164  17.316  35.343
  243   HG23  VAL  30          HG23      VAL  30  -1.356  15.758  34.541
  244    H    TYR  31           H        TYR  31   2.923  18.405  33.518
  245    HA   TYR  31           HA       TYR  31   3.627  17.779  36.187
  246    HB2  TYR  31           HB2      TYR  31   5.020  18.276  33.660
  247    HB3  TYR  31           HB3      TYR  31   5.923  18.819  35.069
  248    HD1  TYR  31           HD1      TYR  31   7.650  17.251  35.241
  249    HD2  TYR  31           HD2      TYR  31   3.645  15.893  34.779
  250    HE1  TYR  31           HE1      TYR  31   8.391  14.943  35.659
  251    HE2  TYR  31           HE2      TYR  31   4.374  13.582  35.197
  252    HH   TYR  31           HH       TYR  31   6.284  12.224  35.189
  253    H    ARG  32           H        ARG  32   4.134  20.765  34.299
  254    HA   ARG  32           HA       ARG  32   5.160  22.341  36.334
  255    HB2  ARG  32           HB2      ARG  32   3.599  22.972  33.850
  256    HB3  ARG  32           HB3      ARG  32   4.035  24.255  34.971
  257    HG2  ARG  32           HG2      ARG  32   6.244  22.480  34.207
  258    HG3  ARG  32           HG3      ARG  32   5.562  23.443  32.894
  259    HD2  ARG  32           HD2      ARG  32   5.738  25.355  34.732
  260    HD3  ARG  32           HD3      ARG  32   7.019  24.302  35.333
  261    HE   ARG  32           HE       ARG  32   7.071  25.910  32.955
  262   HH11  ARG  32          HH11      ARG  32   8.366  23.084  34.522
  263   HH12  ARG  32          HH12      ARG  32   9.834  23.085  33.600
  264   HH21  ARG  32          HH21      ARG  32   8.999  25.923  31.735
  265   HH22  ARG  32          HH22      ARG  32  10.193  24.701  32.016
  266    H    MET  33           H        MET  33   1.787  21.732  35.458
  267    HA   MET  33           HA       MET  33   0.606  23.572  37.218
  268    HB2  MET  33           HB2      MET  33  -0.260  21.398  35.517
  269    HB3  MET  33           HB3      MET  33  -1.152  21.400  37.033
  270    HG2  MET  33           HG2      MET  33  -1.990  23.559  36.663
  271    HG3  MET  33           HG3      MET  33  -0.828  23.877  35.378
  272    HE1  MET  33           HE1      MET  33  -4.067  22.123  36.476
  273    HE2  MET  33           HE2      MET  33  -4.386  23.704  35.761
  274    HE3  MET  33           HE3      MET  33  -4.982  22.243  34.973
  275    H    ARG  34           H        ARG  34   2.103  20.522  37.772
  276    HA   ARG  34           HA       ARG  34   0.801  19.883  40.222
  277    HB2  ARG  34           HB2      ARG  34   2.363  18.473  38.554
  278    HB3  ARG  34           HB3      ARG  34   3.572  18.932  39.746
  279    HG2  ARG  34           HG2      ARG  34   2.042  17.997  41.506
  280    HG3  ARG  34           HG3      ARG  34   1.056  17.350  40.192
  281    HD2  ARG  34           HD2      ARG  34   3.853  16.720  39.824
  282    HD3  ARG  34           HD3      ARG  34   3.267  16.148  41.385
  283    HE   ARG  34           HE       ARG  34   1.420  15.439  39.391
  284   HH11  ARG  34          HH11      ARG  34   4.632  14.655  40.480
  285   HH12  ARG  34          HH12      ARG  34   4.572  13.024  39.900
  286   HH21  ARG  34          HH21      ARG  34   1.328  13.294  38.622
  287   HH22  ARG  34          HH22      ARG  34   2.692  12.251  38.842
  288    H    LYS  35           H        LYS  35   3.587  21.805  39.346
  289    HA   LYS  35           HA       LYS  35   4.845  22.016  41.826
  290    HB2  LYS  35           HB2      LYS  35   4.632  24.022  39.576
  291    HB3  LYS  35           HB3      LYS  35   5.707  24.206  40.957
  292    HG2  LYS  35           HG2      LYS  35   6.518  21.812  40.197
  293    HG3  LYS  35           HG3      LYS  35   5.883  22.357  38.643
  294    HD2  LYS  35           HD2      LYS  35   7.356  24.207  38.584
  295    HD3  LYS  35           HD3      LYS  35   7.792  24.007  40.283
  296    HE2  LYS  35           HE2      LYS  35   9.552  22.836  39.587
  297    HE3  LYS  35           HE3      LYS  35   8.422  21.569  39.112
  298    HZ1  LYS  35           HZ1      LYS  35   9.670  23.652  37.439
  299    HZ2  LYS  35           HZ2      LYS  35   8.228  22.914  36.954
  300    HZ3  LYS  35           HZ3      LYS  35   9.617  21.979  37.191
  Start of MODEL   13
    1    H1   MET   1           H        MET   1   3.652  -6.995  -1.952
    2    HA   MET   1           HA       MET   1   3.089  -5.100  -3.081
    3    HB2  MET   1           HB2      MET   1   1.021  -6.376  -3.422
    4    HB3  MET   1           HB3      MET   1   0.366  -5.725  -1.926
    5    HG2  MET   1           HG2      MET   1   0.728  -3.426  -3.018
    6    HG3  MET   1           HG3      MET   1   0.866  -4.332  -4.523
    7    HE1  MET   1           HE1      MET   1  -2.899  -4.108  -1.872
    8    HE2  MET   1           HE2      MET   1  -1.393  -4.842  -1.322
    9    HE3  MET   1           HE3      MET   1  -1.461  -3.111  -1.654
   10    H    GLU   2           H        GLU   2   4.176  -3.450  -2.130
   11    HA   GLU   2           HA       GLU   2   2.698  -1.903  -0.110
   12    HB2  GLU   2           HB2      GLU   2   5.361  -3.082   0.090
   13    HB3  GLU   2           HB3      GLU   2   5.361  -1.353   0.407
   14    HG2  GLU   2           HG2      GLU   2   4.241  -1.569   2.345
   15    HG3  GLU   2           HG3      GLU   2   3.242  -2.893   1.746
   16    H    GLN   3           H        GLN   3   5.802  -1.429  -1.776
   17    HA   GLN   3           HA       GLN   3   6.601   0.283  -3.042
   18    HB2  GLN   3           HB2      GLN   3   3.740   0.113  -3.923
   19    HB3  GLN   3           HB3      GLN   3   4.783   1.380  -4.556
   20    HG2  GLN   3           HG2      GLN   3   4.687  -0.546  -6.046
   21    HG3  GLN   3           HG3      GLN   3   6.316  -0.277  -5.429
   22   HE21  GLN   3          HE21      GLN   3   3.412  -2.220  -5.013
   23   HE22  GLN   3          HE22      GLN   3   4.211  -3.606  -4.361
   24    H    SER   4           H        SER   4   6.002   2.731  -3.683
   25    HA   SER   4           HA       SER   4   5.954   4.856  -2.862
   26    HB2  SER   4           HB2      SER   4   3.430   3.814  -2.628
   27    HB3  SER   4           HB3      SER   4   3.742   4.371  -0.984
   28    HG   SER   4           HG       SER   4   4.147   5.976  -3.285
   29    H    THR   5           H        THR   5   7.718   3.113  -1.527
   30    HA   THR   5           HA       THR   5   7.604   3.026   1.226
   31    HB   THR   5           HB       THR   5  10.127   3.571  -0.344
   32    HG1  THR   5           HG1      THR   5   9.835   1.663  -1.190
   33   HG21  THR   5          HG21      THR   5  10.093   3.633   2.227
   34   HG22  THR   5          HG22      THR   5  11.295   2.609   1.444
   35   HG23  THR   5          HG23      THR   5   9.837   1.892   2.129
   36    H    GLU   6           H        GLU   6   8.715   5.675  -0.845
   37    HA   GLU   6           HA       GLU   6   9.697   7.367   1.148
   38    HB2  GLU   6           HB2      GLU   6   9.159   7.524  -1.643
   39    HB3  GLU   6           HB3      GLU   6   8.455   8.942  -0.880
   40    HG2  GLU   6           HG2      GLU   6  10.491   9.820  -1.104
   41    HG3  GLU   6           HG3      GLU   6  10.893   8.850   0.312
   42    H    VAL   7           H        VAL   7   6.439   7.143  -0.247
   43    HA   VAL   7           HA       VAL   7   5.278   9.237   1.213
   44    HB   VAL   7           HB       VAL   7   3.955   6.731   0.164
   45   HG11  VAL   7          HG11      VAL   7   2.128   8.810   0.113
   46   HG12  VAL   7          HG12      VAL   7   2.157   7.467   1.257
   47   HG13  VAL   7          HG13      VAL   7   2.941   8.993   1.667
   48   HG21  VAL   7          HG21      VAL   7   4.151   9.461  -1.101
   49   HG22  VAL   7          HG22      VAL   7   5.167   8.085  -1.533
   50   HG23  VAL   7          HG23      VAL   7   3.426   8.013  -1.800
   51    H    LEU   8           H        LEU   8   5.498   5.765   1.914
   52    HA   LEU   8           HA       LEU   8   3.990   5.786   4.282
   53    HB2  LEU   8           HB2      LEU   8   5.866   3.964   2.950
   54    HB3  LEU   8           HB3      LEU   8   5.780   3.780   4.701
   55    HG   LEU   8           HG       LEU   8   3.193   3.858   3.280
   56   HD11  LEU   8          HD11      LEU   8   4.655   1.268   3.209
   57   HD12  LEU   8          HD12      LEU   8   4.954   2.447   1.932
   58   HD13  LEU   8          HD13      LEU   8   3.321   1.842   2.209
   59   HD21  LEU   8          HD21      LEU   8   3.016   3.456   5.558
   60   HD22  LEU   8          HD22      LEU   8   4.436   2.410   5.587
   61   HD23  LEU   8          HD23      LEU   8   2.931   1.836   4.867
   62    H    ALA   9           H        ALA   9   7.454   6.234   3.711
   63    HA   ALA   9           HA       ALA   9   8.254   6.333   6.406
   64    HB1  ALA   9           HB1      ALA   9  10.320   7.147   5.633
   65    HB2  ALA   9           HB2      ALA   9   9.720   6.105   4.342
   66    HB3  ALA   9           HB3      ALA   9   9.594   7.858   4.191
   67    H    ALA  10           H        ALA  10   7.140   8.846   4.184
   68    HA   ALA  10           HA       ALA  10   7.664  11.055   5.857
   69    HB1  ALA  10           HB1      ALA  10   7.293  11.704   3.693
   70    HB2  ALA  10           HB2      ALA  10   5.950  10.582   3.469
   71    HB3  ALA  10           HB3      ALA  10   5.718  12.058   4.405
   72    H    VAL  11           H        VAL  11   4.675   9.196   5.312
   73    HA   VAL  11           HA       VAL  11   3.121  10.627   7.194
   74    HB   VAL  11           HB       VAL  11   2.048   9.321   5.456
   75   HG11  VAL  11          HG11      VAL  11   3.050   6.849   6.860
   76   HG12  VAL  11          HG12      VAL  11   2.111   6.928   5.368
   77   HG13  VAL  11          HG13      VAL  11   3.773   7.520   5.398
   78   HG21  VAL  11          HG21      VAL  11   1.342   7.941   8.023
   79   HG22  VAL  11          HG22      VAL  11   1.017   9.659   7.788
   80   HG23  VAL  11          HG23      VAL  11   0.280   8.467   6.717
   81    H    ILE  12           H        ILE  12   4.977   7.618   7.405
   82    HA   ILE  12           HA       ILE  12   4.212   6.922  10.024
   83    HB   ILE  12           HB       ILE  12   6.640   6.230   8.384
   84   HG12  ILE  12          HG12      ILE  12   4.404   5.289   7.768
   85   HG13  ILE  12          HG13      ILE  12   5.595   4.065   8.196
   86   HG21  ILE  12          HG21      ILE  12   6.062   5.654  11.244
   87   HG22  ILE  12          HG22      ILE  12   6.818   4.396  10.268
   88   HG23  ILE  12          HG23      ILE  12   7.601   5.967  10.443
   89   HD11  ILE  12          HD11      ILE  12   4.303   3.283   9.811
   90   HD12  ILE  12          HD12      ILE  12   4.088   4.891  10.505
   91   HD13  ILE  12          HD13      ILE  12   3.027   4.341   9.209
   92    H    ALA  13           H        ALA  13   7.051   8.690   8.812
   93    HA   ALA  13           HA       ALA  13   8.267   9.133  11.302
   94    HB1  ALA  13           HB1      ALA  13   9.646   9.508   9.473
   95    HB2  ALA  13           HB2      ALA  13   8.447  10.503   8.646
   96    HB3  ALA  13           HB3      ALA  13   9.303  11.139  10.051
   97    H    GLY  14           H        GLY  14   5.937  11.080   9.465
   98    HA2  GLY  14           HA2      GLY  14   5.910  13.296  11.214
   99    HA3  GLY  14           HA3      GLY  14   4.639  12.873  10.076
  100    H    GLY  15           H        GLY  15   4.063  10.289  11.194
  101    HA2  GLY  15           HA2      GLY  15   2.209  11.090  13.202
  102    HA3  GLY  15           HA3      GLY  15   2.522   9.442  12.678
  103    H    VAL  16           H        VAL  16   5.273   9.321  13.293
  104    HA   VAL  16           HA       VAL  16   5.146   8.631  16.033
  105    HB   VAL  16           HB       VAL  16   7.583   8.977  14.279
  106   HG11  VAL  16          HG11      VAL  16   7.188   7.942  17.047
  107   HG12  VAL  16          HG12      VAL  16   8.417   7.201  16.019
  108   HG13  VAL  16          HG13      VAL  16   8.494   8.925  16.387
  109   HG21  VAL  16          HG21      VAL  16   5.496   7.053  14.221
  110   HG22  VAL  16          HG22      VAL  16   6.976   7.098  13.262
  111   HG23  VAL  16          HG23      VAL  16   6.956   6.260  14.814
  112    H    ILE  17           H        ILE  17   6.817  11.273  14.331
  113    HA   ILE  17           HA       ILE  17   7.897  12.471  16.647
  114    HB   ILE  17           HB       ILE  17   8.176  14.496  15.227
  115   HG12  ILE  17          HG12      ILE  17   7.642  13.691  12.675
  116   HG13  ILE  17          HG13      ILE  17   6.286  12.981  13.545
  117   HG21  ILE  17          HG21      ILE  17   9.083  12.287  13.487
  118   HG22  ILE  17          HG22      ILE  17   9.993  13.616  14.205
  119   HG23  ILE  17          HG23      ILE  17   9.568  12.209  15.180
  120   HD11  ILE  17          HD11      ILE  17   6.664  15.667  12.708
  121   HD12  ILE  17          HD12      ILE  17   5.272  14.940  13.511
  122   HD13  ILE  17          HD13      ILE  17   6.581  15.630  14.469
  123    H    GLY  18           H        GLY  18   4.889  13.012  14.862
  124    HA2  GLY  18           HA2      GLY  18   4.041  15.289  16.299
  125    HA3  GLY  18           HA3      GLY  18   2.999  14.205  15.388
  126    H    PHE  19           H        PHE  19   3.396  11.835  16.789
  127    HA   PHE  19           HA       PHE  19   1.597  12.173  18.938
  128    HB2  PHE  19           HB2      PHE  19   3.131   9.920  17.766
  129    HB3  PHE  19           HB3      PHE  19   2.587   9.718  19.428
  130    HD1  PHE  19           HD1      PHE  19   1.085  11.190  16.342
  131    HD2  PHE  19           HD2      PHE  19   0.702   8.429  19.559
  132    HE1  PHE  19           HE1      PHE  19  -1.149  10.556  15.528
  133    HE2  PHE  19           HE2      PHE  19  -1.531   7.790  18.749
  134    HZ   PHE  19           HZ       PHE  19  -2.459   8.853  16.731
  135    H    LEU  20           H        LEU  20   5.095  11.650  18.820
  136    HA   LEU  20           HA       LEU  20   5.496  11.432  21.602
  137    HB2  LEU  20           HB2      LEU  20   7.121  11.652  19.215
  138    HB3  LEU  20           HB3      LEU  20   7.816  12.553  20.561
  139    HG   LEU  20           HG       LEU  20   7.634  10.426  21.915
  140   HD11  LEU  20          HD11      LEU  20   7.658   8.354  20.410
  141   HD12  LEU  20          HD12      LEU  20   6.887   9.385  19.205
  142   HD13  LEU  20          HD13      LEU  20   6.099   9.104  20.757
  143   HD21  LEU  20          HD21      LEU  20   9.518   9.382  20.240
  144   HD22  LEU  20          HD22      LEU  20   9.809  10.650  21.432
  145   HD23  LEU  20          HD23      LEU  20   9.491  11.076  19.749
  146    H    PHE  21           H        PHE  21   5.416  14.192  19.415
  147    HA   PHE  21           HA       PHE  21   6.329  16.105  21.305
  148    HB2  PHE  21           HB2      PHE  21   5.767  16.102  18.584
  149    HB3  PHE  21           HB3      PHE  21   4.556  17.185  19.262
  150    HD1  PHE  21           HD1      PHE  21   8.180  16.573  18.948
  151    HD2  PHE  21           HD2      PHE  21   5.133  19.338  20.037
  152    HE1  PHE  21           HE1      PHE  21   9.854  18.373  19.048
  153    HE2  PHE  21           HE2      PHE  21   6.802  21.143  20.138
  154    HZ   PHE  21           HZ       PHE  21   9.166  20.662  19.642
  155    H    ALA  22           H        ALA  22   3.121  15.030  20.277
  156    HA   ALA  22           HA       ALA  22   1.621  16.907  21.738
  157    HB1  ALA  22           HB1      ALA  22   0.211  15.901  20.304
  158    HB2  ALA  22           HB2      ALA  22   1.089  14.371  20.350
  159    HB3  ALA  22           HB3      ALA  22  -0.043  14.777  21.640
  160    H    ILE  23           H        ILE  23   2.673  13.612  22.558
  161    HA   ILE  23           HA       ILE  23   1.461  13.558  25.114
  162    HB   ILE  23           HB       ILE  23   2.147  11.511  23.948
  163   HG12  ILE  23          HG12      ILE  23   3.206  10.376  25.891
  164   HG13  ILE  23          HG13      ILE  23   3.521  11.952  26.608
  165   HG21  ILE  23          HG21      ILE  23   4.964  12.408  24.543
  166   HG22  ILE  23          HG22      ILE  23   4.495  10.859  23.844
  167   HG23  ILE  23          HG23      ILE  23   4.213  12.351  22.948
  168   HD11  ILE  23          HD11      ILE  23   0.743  11.666  25.895
  169   HD12  ILE  23          HD12      ILE  23   1.276  10.370  26.966
  170   HD13  ILE  23          HD13      ILE  23   1.477  12.054  27.451
  171    H    PHE  24           H        PHE  24   4.601  14.626  23.959
  172    HA   PHE  24           HA       PHE  24   5.821  14.898  26.504
  173    HB2  PHE  24           HB2      PHE  24   7.088  14.780  24.374
  174    HB3  PHE  24           HB3      PHE  24   6.465  16.368  23.938
  175    HD1  PHE  24           HD1      PHE  24   7.785  18.193  24.365
  176    HD2  PHE  24           HD2      PHE  24   8.266  14.699  26.748
  177    HE1  PHE  24           HE1      PHE  24   9.671  19.255  25.535
  178    HE2  PHE  24           HE2      PHE  24  10.151  15.756  27.923
  179    HZ   PHE  24           HZ       PHE  24  10.856  18.037  27.318
  180    H    LEU  25           H        LEU  25   3.995  17.103  24.438
  181    HA   LEU  25           HA       LEU  25   4.406  19.421  26.015
  182    HB2  LEU  25           HB2      LEU  25   3.180  18.803  23.589
  183    HB3  LEU  25           HB3      LEU  25   1.881  19.419  24.610
  184    HG   LEU  25           HG       LEU  25   4.380  21.012  24.497
  185   HD11  LEU  25          HD11      LEU  25   4.404  21.279  22.298
  186   HD12  LEU  25          HD12      LEU  25   2.763  21.918  22.376
  187   HD13  LEU  25          HD13      LEU  25   3.026  20.193  22.119
  188   HD21  LEU  25          HD21      LEU  25   3.003  22.750  25.033
  189   HD22  LEU  25          HD22      LEU  25   2.072  21.419  25.721
  190   HD23  LEU  25          HD23      LEU  25   1.631  22.085  24.148
  191    H    ILE  26           H        ILE  26   1.817  17.004  25.903
  192    HA   ILE  26           HA       ILE  26   0.137  18.238  27.804
  193    HB   ILE  26           HB       ILE  26   0.338  15.520  26.622
  194   HG12  ILE  26          HG12      ILE  26  -2.149  16.005  26.330
  195   HG13  ILE  26          HG13      ILE  26  -1.811  17.611  26.967
  196   HG21  ILE  26          HG21      ILE  26  -1.564  14.816  28.166
  197   HG22  ILE  26          HG22      ILE  26   0.065  14.810  28.841
  198   HG23  ILE  26          HG23      ILE  26  -1.041  16.131  29.218
  199   HD11  ILE  26          HD11      ILE  26  -1.805  17.824  24.632
  200   HD12  ILE  26          HD12      ILE  26  -0.107  17.831  25.111
  201   HD13  ILE  26          HD13      ILE  26  -0.823  16.374  24.421
  202    H    LEU  27           H        LEU  27   2.632  15.734  28.121
  203    HA   LEU  27           HA       LEU  27   2.293  15.263  30.872
  204    HB2  LEU  27           HB2      LEU  27   4.242  14.608  28.806
  205    HB3  LEU  27           HB3      LEU  27   4.968  14.808  30.400
  206    HG   LEU  27           HG       LEU  27   2.575  13.094  30.317
  207   HD11  LEU  27          HD11      LEU  27   3.212  11.841  28.594
  208   HD12  LEU  27          HD12      LEU  27   4.577  11.329  29.586
  209   HD13  LEU  27          HD13      LEU  27   4.759  12.677  28.462
  210   HD21  LEU  27          HD21      LEU  27   3.637  11.984  32.026
  211   HD22  LEU  27          HD22      LEU  27   4.298  13.608  32.217
  212   HD23  LEU  27          HD23      LEU  27   5.248  12.357  31.414
  213    H    LEU  28           H        LEU  28   4.370  17.525  29.112
  214    HA   LEU  28           HA       LEU  28   5.780  18.508  31.341
  215    HB2  LEU  28           HB2      LEU  28   6.426  18.826  28.964
  216    HB3  LEU  28           HB3      LEU  28   5.099  19.974  28.797
  217    HG   LEU  28           HG       LEU  28   7.116  20.503  30.913
  218   HD11  LEU  28          HD11      LEU  28   8.022  21.762  28.552
  219   HD12  LEU  28          HD12      LEU  28   7.873  20.039  28.209
  220   HD13  LEU  28          HD13      LEU  28   8.866  20.587  29.560
  221   HD21  LEU  28          HD21      LEU  28   6.721  22.837  29.931
  222   HD22  LEU  28          HD22      LEU  28   5.396  22.079  30.814
  223   HD23  LEU  28          HD23      LEU  28   5.386  22.095  29.049
  224    H    LEU  29           H        LEU  29   2.791  19.580  29.776
  225    HA   LEU  29           HA       LEU  29   2.409  21.895  31.341
  226    HB2  LEU  29           HB2      LEU  29   1.170  20.774  29.184
  227    HB3  LEU  29           HB3      LEU  29  -0.021  20.516  30.457
  228    HG   LEU  29           HG       LEU  29   0.231  23.033  30.920
  229   HD11  LEU  29          HD11      LEU  29   1.458  22.848  28.175
  230   HD12  LEU  29          HD12      LEU  29   2.213  23.472  29.641
  231   HD13  LEU  29          HD13      LEU  29   0.862  24.337  28.909
  232   HD21  LEU  29          HD21      LEU  29  -1.415  23.570  29.189
  233   HD22  LEU  29          HD22      LEU  29  -1.766  22.023  29.960
  234   HD23  LEU  29          HD23      LEU  29  -1.031  22.063  28.357
  235    H    VAL  30           H        VAL  30   1.244  18.567  31.705
  236    HA   VAL  30           HA       VAL  30  -0.371  18.996  33.963
  237    HB   VAL  30           HB       VAL  30   1.111  16.488  33.159
  238   HG11  VAL  30          HG11      VAL  30  -0.935  17.057  35.256
  239   HG12  VAL  30          HG12      VAL  30  -0.919  15.483  34.457
  240   HG13  VAL  30          HG13      VAL  30   0.505  16.043  35.337
  241   HG21  VAL  30          HG21      VAL  30  -1.764  16.593  32.715
  242   HG22  VAL  30          HG22      VAL  30  -0.882  17.810  31.792
  243   HG23  VAL  30          HG23      VAL  30  -0.468  16.105  31.623
  244    H    TYR  31           H        TYR  31   3.034  18.038  33.678
  245    HA   TYR  31           HA       TYR  31   3.517  17.696  36.428
  246    HB2  TYR  31           HB2      TYR  31   5.043  17.661  33.999
  247    HB3  TYR  31           HB3      TYR  31   5.906  18.604  35.208
  248    HD1  TYR  31           HD1      TYR  31   7.047  17.547  36.978
  249    HD2  TYR  31           HD2      TYR  31   4.353  15.297  34.573
  250    HE1  TYR  31           HE1      TYR  31   7.847  15.473  38.031
  251    HE2  TYR  31           HE2      TYR  31   5.145  13.218  35.620
  252    HH   TYR  31           HH       TYR  31   6.503  12.903  38.289
  253    H    ARG  32           H        ARG  32   4.010  20.495  34.297
  254    HA   ARG  32           HA       ARG  32   5.098  22.206  36.244
  255    HB2  ARG  32           HB2      ARG  32   5.345  22.773  33.934
  256    HB3  ARG  32           HB3      ARG  32   3.604  22.770  33.685
  257    HG2  ARG  32           HG2      ARG  32   3.367  24.747  35.051
  258    HG3  ARG  32           HG3      ARG  32   5.091  24.724  35.427
  259    HD2  ARG  32           HD2      ARG  32   5.658  25.636  33.453
  260    HD3  ARG  32           HD3      ARG  32   4.466  24.690  32.563
  261    HE   ARG  32           HE       ARG  32   3.135  26.643  34.075
  262   HH11  ARG  32          HH11      ARG  32   5.248  26.369  31.322
  263   HH12  ARG  32          HH12      ARG  32   4.648  27.801  30.554
  264   HH21  ARG  32          HH21      ARG  32   2.336  28.531  33.074
  265   HH22  ARG  32          HH22      ARG  32   2.992  29.031  31.552
  266    H    MET  33           H        MET  33   1.765  21.621  35.221
  267    HA   MET  33           HA       MET  33   0.574  23.665  36.757
  268    HB2  MET  33           HB2      MET  33  -0.339  21.288  35.272
  269    HB3  MET  33           HB3      MET  33  -1.391  21.788  36.590
  270    HG2  MET  33           HG2      MET  33  -0.466  23.929  34.791
  271    HG3  MET  33           HG3      MET  33  -1.563  22.742  34.091
  272    HE1  MET  33           HE1      MET  33  -1.761  26.008  36.795
  273    HE2  MET  33           HE2      MET  33  -1.187  25.817  35.138
  274    HE3  MET  33           HE3      MET  33  -2.831  26.381  35.443
  275    H    ARG  34           H        ARG  34   1.838  20.572  37.590
  276    HA   ARG  34           HA       ARG  34   0.371  19.863  39.821
  277    HB2  ARG  34           HB2      ARG  34   2.459  18.758  38.633
  278    HB3  ARG  34           HB3      ARG  34   3.343  19.583  39.910
  279    HG2  ARG  34           HG2      ARG  34   2.331  18.332  41.589
  280    HG3  ARG  34           HG3      ARG  34   1.000  17.833  40.544
  281    HD2  ARG  34           HD2      ARG  34   2.118  15.949  40.159
  282    HD3  ARG  34           HD3      ARG  34   3.302  16.910  39.274
  283    HE   ARG  34           HE       ARG  34   4.761  16.680  41.031
  284   HH11  ARG  34          HH11      ARG  34   1.577  15.683  42.026
  285   HH12  ARG  34          HH12      ARG  34   2.113  15.024  43.536
  286   HH21  ARG  34          HH21      ARG  34   5.479  15.815  43.016
  287   HH22  ARG  34          HH22      ARG  34   4.332  15.101  44.099
  288    H    LYS  35           H        LYS  35   2.793  22.359  39.461
  289    HA   LYS  35           HA       LYS  35   3.250  22.852  42.208
  290    HB2  LYS  35           HB2      LYS  35   4.337  24.859  41.515
  291    HB3  LYS  35           HB3      LYS  35   4.689  23.638  40.299
  292    HG2  LYS  35           HG2      LYS  35   4.007  25.089  38.772
  293    HG3  LYS  35           HG3      LYS  35   2.370  24.882  39.399
  294    HD2  LYS  35           HD2      LYS  35   3.376  26.653  41.184
  295    HD3  LYS  35           HD3      LYS  35   4.260  27.116  39.729
  296    HE2  LYS  35           HE2      LYS  35   1.275  26.751  39.771
  297    HE3  LYS  35           HE3      LYS  35   2.048  28.291  40.144
  298    HZ1  LYS  35           HZ1      LYS  35   2.090  28.684  37.979
  299    HZ2  LYS  35           HZ2      LYS  35   1.523  27.133  37.617
  300    HZ3  LYS  35           HZ3      LYS  35   3.184  27.408  37.785
  Start of MODEL   14
    1    H1   MET   1           H        MET   1   8.652  13.418  -7.938
    2    HA   MET   1           HA       MET   1   9.109  11.168  -7.704
    3    HB2  MET   1           HB2      MET   1  11.250  12.220  -6.379
    4    HB3  MET   1           HB3      MET   1  10.445  11.343  -5.086
    5    HG2  MET   1           HG2      MET   1  10.572   9.292  -6.316
    6    HG3  MET   1           HG3      MET   1  11.195  10.132  -7.734
    7    HE1  MET   1           HE1      MET   1  11.535   8.941  -4.317
    8    HE2  MET   1           HE2      MET   1  12.783   7.818  -4.857
    9    HE3  MET   1           HE3      MET   1  13.208   9.172  -3.809
   10    H    GLU   2           H        GLU   2   7.569   9.815  -7.040
   11    HA   GLU   2           HA       GLU   2   6.038  10.545  -4.638
   12    HB2  GLU   2           HB2      GLU   2   5.323   9.289  -7.236
   13    HB3  GLU   2           HB3      GLU   2   4.439   8.753  -5.815
   14    HG2  GLU   2           HG2      GLU   2   3.109  10.456  -6.575
   15    HG3  GLU   2           HG3      GLU   2   4.106  11.291  -5.386
   16    H    GLN   3           H        GLN   3   6.444   7.466  -6.368
   17    HA   GLN   3           HA       GLN   3   6.912   5.363  -5.638
   18    HB2  GLN   3           HB2      GLN   3   8.958   6.977  -4.752
   19    HB3  GLN   3           HB3      GLN   3   8.455   6.157  -3.279
   20    HG2  GLN   3           HG2      GLN   3  10.055   4.726  -4.070
   21    HG3  GLN   3           HG3      GLN   3   8.591   4.016  -4.750
   22   HE21  GLN   3          HE21      GLN   3  11.607   4.391  -5.498
   23   HE22  GLN   3          HE22      GLN   3  11.524   4.755  -7.184
   24    H    SER   4           H        SER   4   7.070   4.027  -3.399
   25    HA   SER   4           HA       SER   4   4.611   4.736  -1.947
   26    HB2  SER   4           HB2      SER   4   5.908   2.068  -2.513
   27    HB3  SER   4           HB3      SER   4   4.613   2.263  -1.332
   28    HG   SER   4           HG       SER   4   3.372   2.008  -3.011
   29    H    THR   5           H        THR   5   7.920   3.571  -1.547
   30    HA   THR   5           HA       THR   5   7.872   3.325   1.263
   31    HB   THR   5           HB       THR   5   9.637   2.274  -0.019
   32    HG1  THR   5           HG1      THR   5  11.422   3.044   1.246
   33   HG21  THR   5          HG21      THR   5   9.769   4.061  -1.770
   34   HG22  THR   5          HG22      THR   5  11.335   3.496  -1.189
   35   HG23  THR   5          HG23      THR   5  10.688   5.036  -0.625
   36    H    GLU   6           H        GLU   6   8.727   6.012  -0.876
   37    HA   GLU   6           HA       GLU   6   9.719   7.765   1.068
   38    HB2  GLU   6           HB2      GLU   6   9.655   7.917  -1.555
   39    HB3  GLU   6           HB3      GLU   6   8.159   8.796  -1.268
   40    HG2  GLU   6           HG2      GLU   6   9.482  10.293   0.275
   41    HG3  GLU   6           HG3      GLU   6  10.930   9.518  -0.367
   42    H    VAL   7           H        VAL   7   6.435   7.497  -0.282
   43    HA   VAL   7           HA       VAL   7   5.288   9.489   1.355
   44    HB   VAL   7           HB       VAL   7   4.147   8.806  -0.649
   45   HG11  VAL   7          HG11      VAL   7   4.915   6.466  -0.668
   46   HG12  VAL   7          HG12      VAL   7   3.784   6.101   0.637
   47   HG13  VAL   7          HG13      VAL   7   3.178   6.605  -0.942
   48   HG21  VAL   7          HG21      VAL   7   2.833   9.554   1.371
   49   HG22  VAL   7          HG22      VAL   7   1.926   8.643   0.164
   50   HG23  VAL   7          HG23      VAL   7   2.454   7.855   1.651
   51    H    LEU   8           H        LEU   8   5.555   5.978   1.712
   52    HA   LEU   8           HA       LEU   8   3.977   5.736   4.029
   53    HB2  LEU   8           HB2      LEU   8   5.894   4.080   2.552
   54    HB3  LEU   8           HB3      LEU   8   5.801   3.722   4.275
   55    HG   LEU   8           HG       LEU   8   4.348   2.263   2.952
   56   HD11  LEU   8          HD11      LEU   8   3.777   3.015   5.290
   57   HD12  LEU   8          HD12      LEU   8   2.426   2.434   4.318
   58   HD13  LEU   8          HD13      LEU   8   2.660   4.165   4.557
   59   HD21  LEU   8          HD21      LEU   8   3.146   4.874   2.077
   60   HD22  LEU   8          HD22      LEU   8   2.257   3.353   1.991
   61   HD23  LEU   8          HD23      LEU   8   3.755   3.553   1.080
   62    H    ALA   9           H        ALA   9   7.468   6.198   3.602
   63    HA   ALA   9           HA       ALA   9   8.169   6.078   6.323
   64    HB1  ALA   9           HB1      ALA   9  10.264   7.042   5.679
   65    HB2  ALA   9           HB2      ALA   9   9.758   5.923   4.412
   66    HB3  ALA   9           HB3      ALA   9   9.574   7.661   4.179
   67    H    ALA  10           H        ALA  10   7.149   8.762   4.268
   68    HA   ALA  10           HA       ALA  10   7.642  10.816   6.157
   69    HB1  ALA  10           HB1      ALA  10   5.522  11.029   4.057
   70    HB2  ALA  10           HB2      ALA  10   6.634  12.262   4.654
   71    HB3  ALA  10           HB3      ALA  10   7.226  10.973   3.606
   72    H    VAL  11           H        VAL  11   4.800   8.854   5.401
   73    HA   VAL  11           HA       VAL  11   2.996  10.226   7.094
   74    HB   VAL  11           HB       VAL  11   2.916   7.361   6.138
   75   HG11  VAL  11          HG11      VAL  11   1.273   7.169   7.649
   76   HG12  VAL  11          HG12      VAL  11   1.153   8.914   7.880
   77   HG13  VAL  11          HG13      VAL  11   0.329   8.144   6.524
   78   HG21  VAL  11          HG21      VAL  11   2.053   8.078   4.195
   79   HG22  VAL  11          HG22      VAL  11   1.090   9.334   4.973
   80   HG23  VAL  11          HG23      VAL  11   2.793   9.622   4.618
   81    H    ILE  12           H        ILE  12   4.840   7.215   7.561
   82    HA   ILE  12           HA       ILE  12   3.988   6.765  10.211
   83    HB   ILE  12           HB       ILE  12   5.993   5.282  10.381
   84   HG12  ILE  12          HG12      ILE  12   6.904   5.017   7.820
   85   HG13  ILE  12          HG13      ILE  12   6.672   6.758   7.922
   86   HG21  ILE  12          HG21      ILE  12   3.684   5.005   8.826
   87   HG22  ILE  12          HG22      ILE  12   4.998   4.343   7.854
   88   HG23  ILE  12          HG23      ILE  12   4.700   3.719   9.476
   89   HD11  ILE  12          HD11      ILE  12   8.867   5.305   8.791
   90   HD12  ILE  12          HD12      ILE  12   8.512   6.999   9.127
   91   HD13  ILE  12          HD13      ILE  12   8.009   5.751  10.266
   92    H    ALA  13           H        ALA  13   6.816   8.422   8.874
   93    HA   ALA  13           HA       ALA  13   8.135   8.915  11.307
   94    HB1  ALA  13           HB1      ALA  13   9.355  10.655  10.076
   95    HB2  ALA  13           HB2      ALA  13   9.258   9.146   9.168
   96    HB3  ALA  13           HB3      ALA  13   8.211  10.499   8.742
   97    H    GLY  14           H        GLY  14   5.771  10.843   9.489
   98    HA2  GLY  14           HA2      GLY  14   5.824  13.092  11.203
   99    HA3  GLY  14           HA3      GLY  14   4.531  12.682  10.085
  100    H    GLY  15           H        GLY  15   3.913  10.126  11.241
  101    HA2  GLY  15           HA2      GLY  15   2.095  10.987  13.255
  102    HA3  GLY  15           HA3      GLY  15   2.378   9.326  12.757
  103    H    VAL  16           H        VAL  16   5.126   9.160  13.351
  104    HA   VAL  16           HA       VAL  16   5.011   8.536  16.109
  105    HB   VAL  16           HB       VAL  16   7.446   8.785  14.338
  106   HG11  VAL  16          HG11      VAL  16   8.279   7.037  16.062
  107   HG12  VAL  16          HG12      VAL  16   8.301   8.748  16.492
  108   HG13  VAL  16          HG13      VAL  16   7.014   7.703  17.094
  109   HG21  VAL  16          HG21      VAL  16   5.313   6.987  14.171
  110   HG22  VAL  16          HG22      VAL  16   6.886   6.854  13.385
  111   HG23  VAL  16          HG23      VAL  16   6.618   6.097  14.955
  112    H    ILE  17           H        ILE  17   6.693  11.108  14.320
  113    HA   ILE  17           HA       ILE  17   7.865  12.328  16.576
  114    HB   ILE  17           HB       ILE  17   8.687  12.790  14.337
  115   HG12  ILE  17          HG12      ILE  17   7.882  15.508  14.768
  116   HG13  ILE  17          HG13      ILE  17   8.135  14.733  16.328
  117   HG21  ILE  17          HG21      ILE  17   6.307  14.496  13.747
  118   HG22  ILE  17          HG22      ILE  17   7.477  13.781  12.639
  119   HG23  ILE  17          HG23      ILE  17   6.258  12.766  13.409
  120   HD11  ILE  17          HD11      ILE  17  10.367  13.953  15.387
  121   HD12  ILE  17          HD12      ILE  17  10.092  15.123  14.096
  122   HD13  ILE  17          HD13      ILE  17  10.197  15.666  15.771
  123    H    GLY  18           H        GLY  18   4.828  12.948  14.852
  124    HA2  GLY  18           HA2      GLY  18   4.063  15.228  16.326
  125    HA3  GLY  18           HA3      GLY  18   2.977  14.178  15.428
  126    H    PHE  19           H        PHE  19   3.355  11.787  16.811
  127    HA   PHE  19           HA       PHE  19   1.595  12.142  18.985
  128    HB2  PHE  19           HB2      PHE  19   3.005   9.896  17.711
  129    HB3  PHE  19           HB3      PHE  19   2.676   9.668  19.425
  130    HD1  PHE  19           HD1      PHE  19   1.473   8.890  16.351
  131    HD2  PHE  19           HD2      PHE  19   0.146  10.643  19.996
  132    HE1  PHE  19           HE1      PHE  19  -0.840   8.246  15.814
  133    HE2  PHE  19           HE2      PHE  19  -2.169  10.001  19.465
  134    HZ   PHE  19           HZ       PHE  19  -2.665   8.801  17.373
  135    H    LEU  20           H        LEU  20   5.086  11.582  18.821
  136    HA   LEU  20           HA       LEU  20   5.523  11.351  21.595
  137    HB2  LEU  20           HB2      LEU  20   7.075  11.350  19.231
  138    HB3  LEU  20           HB3      LEU  20   7.780  12.543  20.319
  139    HG   LEU  20           HG       LEU  20   7.203  10.052  21.685
  140   HD11  LEU  20          HD11      LEU  20   9.185   9.925  19.419
  141   HD12  LEU  20          HD12      LEU  20   7.605   9.142  19.418
  142   HD13  LEU  20          HD13      LEU  20   8.828   8.658  20.592
  143   HD21  LEU  20          HD21      LEU  20   9.834  11.428  21.188
  144   HD22  LEU  20          HD22      LEU  20   9.409  10.348  22.516
  145   HD23  LEU  20          HD23      LEU  20   8.680  11.951  22.414
  146    H    PHE  21           H        PHE  21   5.469  14.125  19.419
  147    HA   PHE  21           HA       PHE  21   6.409  16.020  21.308
  148    HB2  PHE  21           HB2      PHE  21   5.753  16.028  18.587
  149    HB3  PHE  21           HB3      PHE  21   4.636  17.170  19.326
  150    HD1  PHE  21           HD1      PHE  21   7.431  17.187  17.538
  151    HD2  PHE  21           HD2      PHE  21   6.139  18.455  21.390
  152    HE1  PHE  21           HE1      PHE  21   9.205  18.892  17.568
  153    HE2  PHE  21           HE2      PHE  21   7.911  20.161  21.427
  154    HZ   PHE  21           HZ       PHE  21   9.446  20.382  19.514
  155    H    ALA  22           H        ALA  22   3.175  14.991  20.307
  156    HA   ALA  22           HA       ALA  22   1.714  16.869  21.804
  157    HB1  ALA  22           HB1      ALA  22   0.025  14.760  21.712
  158    HB2  ALA  22           HB2      ALA  22   0.277  15.886  20.379
  159    HB3  ALA  22           HB3      ALA  22   1.137  14.347  20.407
  160    H    ILE  23           H        ILE  23   2.813  13.590  22.596
  161    HA   ILE  23           HA       ILE  23   1.600  13.477  25.148
  162    HB   ILE  23           HB       ILE  23   3.976  11.974  24.050
  163   HG12  ILE  23          HG12      ILE  23   1.805  11.607  22.898
  164   HG13  ILE  23          HG13      ILE  23   2.401  10.161  23.705
  165   HG21  ILE  23          HG21      ILE  23   4.301  11.690  26.304
  166   HG22  ILE  23          HG22      ILE  23   2.586  11.842  26.681
  167   HG23  ILE  23          HG23      ILE  23   3.202  10.355  25.961
  168   HD11  ILE  23          HD11      ILE  23   0.537   9.998  24.879
  169   HD12  ILE  23          HD12      ILE  23   0.716  11.646  25.480
  170   HD13  ILE  23          HD13      ILE  23  -0.114  11.350  23.953
  171    H    PHE  24           H        PHE  24   4.749  14.586  24.027
  172    HA   PHE  24           HA       PHE  24   5.914  14.908  26.589
  173    HB2  PHE  24           HB2      PHE  24   7.305  14.783  24.602
  174    HB3  PHE  24           HB3      PHE  24   6.558  16.238  23.950
  175    HD1  PHE  24           HD1      PHE  24   8.238  15.186  27.116
  176    HD2  PHE  24           HD2      PHE  24   7.819  18.140  24.081
  177    HE1  PHE  24           HE1      PHE  24   9.963  16.555  28.215
  178    HE2  PHE  24           HE2      PHE  24   9.543  19.513  25.174
  179    HZ   PHE  24           HZ       PHE  24  10.618  18.721  27.243
  180    H    LEU  25           H        LEU  25   4.100  17.069  24.467
  181    HA   LEU  25           HA       LEU  25   4.450  19.408  26.023
  182    HB2  LEU  25           HB2      LEU  25   3.009  18.614  23.660
  183    HB3  LEU  25           HB3      LEU  25   1.997  19.622  24.691
  184    HG   LEU  25           HG       LEU  25   4.736  20.605  24.142
  185   HD11  LEU  25          HD11      LEU  25   4.153  19.800  21.950
  186   HD12  LEU  25          HD12      LEU  25   4.012  21.557  21.979
  187   HD13  LEU  25          HD13      LEU  25   2.562  20.556  22.055
  188   HD21  LEU  25          HD21      LEU  25   2.825  21.700  25.500
  189   HD22  LEU  25          HD22      LEU  25   2.157  22.108  23.920
  190   HD23  LEU  25          HD23      LEU  25   3.758  22.692  24.379
  191    H    ILE  26           H        ILE  26   1.922  16.932  25.927
  192    HA   ILE  26           HA       ILE  26   0.176  18.162  27.768
  193    HB   ILE  26           HB       ILE  26   0.511  15.226  27.143
  194   HG12  ILE  26          HG12      ILE  26  -1.719  16.934  26.119
  195   HG13  ILE  26          HG13      ILE  26  -0.148  17.035  25.332
  196   HG21  ILE  26          HG21      ILE  26  -0.702  15.171  29.092
  197   HG22  ILE  26          HG22      ILE  26  -1.456  16.737  28.795
  198   HG23  ILE  26          HG23      ILE  26  -1.993  15.315  27.900
  199   HD11  ILE  26          HD11      ILE  26  -0.238  14.568  25.009
  200   HD12  ILE  26          HD12      ILE  26  -1.892  14.605  25.622
  201   HD13  ILE  26          HD13      ILE  26  -1.480  15.469  24.141
  202    H    LEU  27           H        LEU  27   2.735  15.738  28.196
  203    HA   LEU  27           HA       LEU  27   2.368  15.343  30.955
  204    HB2  LEU  27           HB2      LEU  27   4.274  14.591  28.928
  205    HB3  LEU  27           HB3      LEU  27   5.093  15.002  30.433
  206    HG   LEU  27           HG       LEU  27   3.110  13.353  31.319
  207   HD11  LEU  27          HD11      LEU  27   2.996  11.438  29.869
  208   HD12  LEU  27          HD12      LEU  27   4.065  12.211  28.700
  209   HD13  LEU  27          HD13      LEU  27   2.452  12.864  28.984
  210   HD21  LEU  27          HD21      LEU  27   4.823  11.941  31.909
  211   HD22  LEU  27          HD22      LEU  27   5.710  13.434  31.603
  212   HD23  LEU  27          HD23      LEU  27   5.678  12.161  30.382
  213    H    LEU  28           H        LEU  28   4.379  17.622  29.150
  214    HA   LEU  28           HA       LEU  28   5.737  18.705  31.375
  215    HB2  LEU  28           HB2      LEU  28   6.067  18.943  28.752
  216    HB3  LEU  28           HB3      LEU  28   5.137  20.415  29.021
  217    HG   LEU  28           HG       LEU  28   6.860  21.102  30.700
  218   HD11  LEU  28          HD11      LEU  28   9.027  19.977  30.645
  219   HD12  LEU  28          HD12      LEU  28   8.367  18.750  29.564
  220   HD13  LEU  28          HD13      LEU  28   7.755  18.895  31.212
  221   HD21  LEU  28          HD21      LEU  28   7.369  22.297  28.880
  222   HD22  LEU  28          HD22      LEU  28   7.157  20.918  27.801
  223   HD23  LEU  28          HD23      LEU  28   8.683  21.142  28.657
  224    H    LEU  29           H        LEU  29   2.728  19.594  29.748
  225    HA   LEU  29           HA       LEU  29   2.259  21.978  31.184
  226    HB2  LEU  29           HB2      LEU  29   1.071  20.699  29.085
  227    HB3  LEU  29           HB3      LEU  29  -0.117  20.468  30.367
  228    HG   LEU  29           HG       LEU  29   0.960  23.194  29.726
  229   HD11  LEU  29          HD11      LEU  29  -1.009  23.510  28.271
  230   HD12  LEU  29          HD12      LEU  29  -1.339  21.782  28.383
  231   HD13  LEU  29          HD13      LEU  29   0.147  22.347  27.621
  232   HD21  LEU  29          HD21      LEU  29  -1.243  23.864  30.631
  233   HD22  LEU  29          HD22      LEU  29  -0.252  22.987  31.798
  234   HD23  LEU  29          HD23      LEU  29  -1.583  22.168  30.980
  235    H    VAL  30           H        VAL  30   1.051  18.666  31.663
  236    HA   VAL  30           HA       VAL  30  -0.457  19.236  33.981
  237    HB   VAL  30           HB       VAL  30  -0.796  17.201  32.638
  238   HG11  VAL  30          HG11      VAL  30   1.520  16.688  32.114
  239   HG12  VAL  30          HG12      VAL  30   1.843  16.328  33.812
  240   HG13  VAL  30          HG13      VAL  30   0.745  15.304  32.885
  241   HG21  VAL  30          HG21      VAL  30  -1.541  17.329  34.995
  242   HG22  VAL  30          HG22      VAL  30  -1.179  15.684  34.475
  243   HG23  VAL  30          HG23      VAL  30  -0.031  16.561  35.485
  244    H    TYR  31           H        TYR  31   2.908  18.408  33.469
  245    HA   TYR  31           HA       TYR  31   3.504  17.845  36.199
  246    HB2  TYR  31           HB2      TYR  31   4.868  17.037  34.273
  247    HB3  TYR  31           HB3      TYR  31   5.404  18.692  34.003
  248    HD1  TYR  31           HD1      TYR  31   5.232  16.189  36.777
  249    HD2  TYR  31           HD2      TYR  31   7.428  19.320  34.912
  250    HE1  TYR  31           HE1      TYR  31   7.067  15.848  38.379
  251    HE2  TYR  31           HE2      TYR  31   9.269  18.988  36.509
  252    HH   TYR  31           HH       TYR  31  10.131  17.093  37.956
  253    H    ARG  32           H        ARG  32   4.094  20.670  34.115
  254    HA   ARG  32           HA       ARG  32   5.292  22.292  36.054
  255    HB2  ARG  32           HB2      ARG  32   4.866  22.562  33.419
  256    HB3  ARG  32           HB3      ARG  32   3.570  23.592  34.014
  257    HG2  ARG  32           HG2      ARG  32   5.148  24.964  35.211
  258    HG3  ARG  32           HG3      ARG  32   6.470  23.883  34.767
  259    HD2  ARG  32           HD2      ARG  32   5.116  24.653  32.391
  260    HD3  ARG  32           HD3      ARG  32   5.436  26.108  33.335
  261    HE   ARG  32           HE       ARG  32   7.731  24.432  33.177
  262   HH11  ARG  32          HH11      ARG  32   5.850  26.761  31.400
  263   HH12  ARG  32          HH12      ARG  32   7.180  27.284  30.421
  264   HH21  ARG  32          HH21      ARG  32   9.491  25.112  31.894
  265   HH22  ARG  32          HH22      ARG  32   9.251  26.345  30.703
  266    H    MET  33           H        MET  33   1.906  21.752  35.251
  267    HA   MET  33           HA       MET  33   0.818  23.837  36.804
  268    HB2  MET  33           HB2      MET  33  -0.212  22.051  35.050
  269    HB3  MET  33           HB3      MET  33  -0.757  21.345  36.566
  270    HG2  MET  33           HG2      MET  33  -2.169  23.063  37.025
  271    HG3  MET  33           HG3      MET  33  -1.177  24.251  36.181
  272    HE1  MET  33           HE1      MET  33  -4.261  24.038  36.220
  273    HE2  MET  33           HE2      MET  33  -3.681  25.253  35.080
  274    HE3  MET  33           HE3      MET  33  -4.861  24.048  34.561
  275    H    ARG  34           H        ARG  34   2.154  20.778  37.650
  276    HA   ARG  34           HA       ARG  34   0.820  20.454  40.149
  277    HB2  ARG  34           HB2      ARG  34   2.503  18.904  38.570
  278    HB3  ARG  34           HB3      ARG  34   3.458  19.234  40.009
  279    HG2  ARG  34           HG2      ARG  34   2.190  17.922  41.311
  280    HG3  ARG  34           HG3      ARG  34   0.688  18.420  40.529
  281    HD2  ARG  34           HD2      ARG  34   0.696  16.650  39.165
  282    HD3  ARG  34           HD3      ARG  34   2.403  16.857  38.776
  283    HE   ARG  34           HE       ARG  34   2.907  15.252  40.321
  284   HH11  ARG  34          HH11      ARG  34  -0.328  16.399  40.899
  285   HH12  ARG  34          HH12      ARG  34  -0.675  15.207  42.108
  286   HH21  ARG  34          HH21      ARG  34   2.462  13.676  41.910
  287   HH22  ARG  34          HH22      ARG  34   0.913  13.659  42.682
  288    H    LYS  35           H        LYS  35   3.719  22.098  39.090
  289    HA   LYS  35           HA       LYS  35   5.051  22.454  41.494
  290    HB2  LYS  35           HB2      LYS  35   4.805  24.293  39.112
  291    HB3  LYS  35           HB3      LYS  35   5.906  24.591  40.451
  292    HG2  LYS  35           HG2      LYS  35   6.927  22.347  39.977
  293    HG3  LYS  35           HG3      LYS  35   5.954  22.300  38.505
  294    HD2  LYS  35           HD2      LYS  35   7.973  23.164  37.755
  295    HD3  LYS  35           HD3      LYS  35   7.009  24.617  38.025
  296    HE2  LYS  35           HE2      LYS  35   8.100  24.415  40.441
  297    HE3  LYS  35           HE3      LYS  35   9.349  23.573  39.525
  298    HZ1  LYS  35           HZ1      LYS  35   8.334  26.263  38.800
  299    HZ2  LYS  35           HZ2      LYS  35   9.695  25.474  38.179
  300    HZ3  LYS  35           HZ3      LYS  35   9.690  26.016  39.781
  Start of MODEL   15
    1    H1   MET   1           H        MET   1   3.124  -2.193   0.337
    2    HA   MET   1           HA       MET   1   2.902  -1.964  -2.401
    3    HB2  MET   1           HB2      MET   1   2.609   0.634  -0.962
    4    HB3  MET   1           HB3      MET   1   3.534   0.607  -2.457
    5    HG2  MET   1           HG2      MET   1   0.864  -0.680  -2.461
    6    HG3  MET   1           HG3      MET   1   0.936   1.080  -2.410
    7    HE1  MET   1           HE1      MET   1  -0.099   1.666  -4.842
    8    HE2  MET   1           HE2      MET   1   0.081   0.489  -6.143
    9    HE3  MET   1           HE3      MET   1  -0.610  -0.004  -4.596
   10    H    GLU   2           H        GLU   2   4.932  -0.998  -3.419
   11    HA   GLU   2           HA       GLU   2   7.212  -1.354  -1.586
   12    HB2  GLU   2           HB2      GLU   2   6.580  -3.061  -3.601
   13    HB3  GLU   2           HB3      GLU   2   7.645  -1.947  -4.445
   14    HG2  GLU   2           HG2      GLU   2   9.092  -2.400  -2.218
   15    HG3  GLU   2           HG3      GLU   2   8.248  -3.940  -2.372
   16    H    GLN   3           H        GLN   3   5.890   0.346  -4.351
   17    HA   GLN   3           HA       GLN   3   8.228   2.072  -4.536
   18    HB2  GLN   3           HB2      GLN   3   6.886   1.157  -6.537
   19    HB3  GLN   3           HB3      GLN   3   5.691   2.380  -6.123
   20    HG2  GLN   3           HG2      GLN   3   7.813   3.954  -6.193
   21    HG3  GLN   3           HG3      GLN   3   8.410   2.686  -7.262
   22   HE21  GLN   3          HE21      GLN   3   8.364   4.607  -8.734
   23   HE22  GLN   3          HE22      GLN   3   6.910   4.881  -9.627
   24    H    SER   4           H        SER   4   6.012   1.968  -2.341
   25    HA   SER   4           HA       SER   4   5.443   4.860  -2.344
   26    HB2  SER   4           HB2      SER   4   3.382   4.485  -1.395
   27    HB3  SER   4           HB3      SER   4   3.551   2.988  -2.312
   28    HG   SER   4           HG       SER   4   3.027   3.053   0.146
   29    H    THR   5           H        THR   5   7.858   3.428  -1.385
   30    HA   THR   5           HA       THR   5   7.862   3.308   1.437
   31    HB   THR   5           HB       THR   5  10.461   3.828   0.894
   32    HG1  THR   5           HG1      THR   5  10.947   3.102  -1.163
   33   HG21  THR   5          HG21      THR   5  10.481   1.756   1.715
   34   HG22  THR   5          HG22      THR   5  10.106   1.153   0.100
   35   HG23  THR   5          HG23      THR   5   8.803   1.508   1.234
   36    H    GLU   6           H        GLU   6   8.736   5.873  -0.845
   37    HA   GLU   6           HA       GLU   6   9.748   7.713   1.005
   38    HB2  GLU   6           HB2      GLU   6   9.595   7.703  -1.657
   39    HB3  GLU   6           HB3      GLU   6   8.201   8.724  -1.329
   40    HG2  GLU   6           HG2      GLU   6  10.039   9.883   0.267
   41    HG3  GLU   6           HG3      GLU   6  11.069   9.281  -1.031
   42    H    VAL   7           H        VAL   7   6.458   7.416  -0.325
   43    HA   VAL   7           HA       VAL   7   5.340   9.501   1.214
   44    HB   VAL   7           HB       VAL   7   3.144   8.436   0.671
   45   HG11  VAL   7          HG11      VAL   7   3.177   9.444  -1.330
   46   HG12  VAL   7          HG12      VAL   7   4.857   9.822  -0.942
   47   HG13  VAL   7          HG13      VAL   7   4.475   8.414  -1.934
   48   HG21  VAL   7          HG21      VAL   7   4.934   6.360  -0.577
   49   HG22  VAL   7          HG22      VAL   7   3.705   6.119   0.665
   50   HG23  VAL   7          HG23      VAL   7   3.227   6.544  -0.978
   51    H    LEU   8           H        LEU   8   5.513   5.999   1.722
   52    HA   LEU   8           HA       LEU   8   3.951   5.899   4.055
   53    HB2  LEU   8           HB2      LEU   8   6.004   4.139   2.811
   54    HB3  LEU   8           HB3      LEU   8   5.502   3.811   4.468
   55    HG   LEU   8           HG       LEU   8   3.600   3.957   2.134
   56   HD11  LEU   8          HD11      LEU   8   3.667   1.627   1.947
   57   HD12  LEU   8          HD12      LEU   8   4.550   1.440   3.461
   58   HD13  LEU   8          HD13      LEU   8   5.360   2.110   2.045
   59   HD21  LEU   8          HD21      LEU   8   3.357   3.351   5.040
   60   HD22  LEU   8          HD22      LEU   8   2.308   2.505   3.901
   61   HD23  LEU   8          HD23      LEU   8   2.282   4.267   3.984
   62    H    ALA   9           H        ALA   9   7.437   6.313   3.585
   63    HA   ALA   9           HA       ALA   9   8.154   6.280   6.310
   64    HB1  ALA   9           HB1      ALA   9   9.681   6.061   4.293
   65    HB2  ALA   9           HB2      ALA   9   9.617   7.820   4.184
   66    HB3  ALA   9           HB3      ALA   9  10.272   7.049   5.629
   67    H    ALA  10           H        ALA  10   7.163   8.887   4.146
   68    HA   ALA  10           HA       ALA  10   7.730  11.036   5.878
   69    HB1  ALA  10           HB1      ALA  10   7.205  11.110   3.385
   70    HB2  ALA  10           HB2      ALA  10   5.507  11.046   3.859
   71    HB3  ALA  10           HB3      ALA  10   6.521  12.388   4.390
   72    H    VAL  11           H        VAL  11   4.696   9.272   5.267
   73    HA   VAL  11           HA       VAL  11   3.164  10.697   7.170
   74    HB   VAL  11           HB       VAL  11   2.074   9.454   5.398
   75   HG11  VAL  11          HG11      VAL  11   3.031   6.939   6.758
   76   HG12  VAL  11          HG12      VAL  11   2.068   7.052   5.283
   77   HG13  VAL  11          HG13      VAL  11   3.740   7.615   5.292
   78   HG21  VAL  11          HG21      VAL  11   1.254   9.564   7.996
   79   HG22  VAL  11          HG22      VAL  11   0.259   9.018   6.646
   80   HG23  VAL  11          HG23      VAL  11   1.111   7.841   7.646
   81    H    ILE  12           H        ILE  12   4.973   7.660   7.334
   82    HA   ILE  12           HA       ILE  12   4.164   6.906   9.923
   83    HB   ILE  12           HB       ILE  12   6.640   6.244   8.339
   84   HG12  ILE  12          HG12      ILE  12   4.417   4.384   9.139
   85   HG13  ILE  12          HG13      ILE  12   4.257   5.422   7.727
   86   HG21  ILE  12          HG21      ILE  12   5.838   5.396  11.098
   87   HG22  ILE  12          HG22      ILE  12   6.831   4.358  10.076
   88   HG23  ILE  12          HG23      ILE  12   7.404   5.965  10.522
   89   HD11  ILE  12          HD11      ILE  12   5.412   2.905   7.835
   90   HD12  ILE  12          HD12      ILE  12   5.488   4.054   6.498
   91   HD13  ILE  12          HD13      ILE  12   6.773   4.019   7.705
   92    H    ALA  13           H        ALA  13   7.043   8.670   8.801
   93    HA   ALA  13           HA       ALA  13   8.217   9.044  11.322
   94    HB1  ALA  13           HB1      ALA  13   8.490  11.023   9.086
   95    HB2  ALA  13           HB2      ALA  13   9.687  10.529  10.283
   96    HB3  ALA  13           HB3      ALA  13   9.221   9.421   8.993
   97    H    GLY  14           H        GLY  14   5.916  11.030   9.498
   98    HA2  GLY  14           HA2      GLY  14   5.892  13.213  11.302
   99    HA3  GLY  14           HA3      GLY  14   4.650  12.845  10.114
  100    H    GLY  15           H        GLY  15   4.074  10.204  11.183
  101    HA2  GLY  15           HA2      GLY  15   2.129  10.973  13.123
  102    HA3  GLY  15           HA3      GLY  15   2.470   9.334  12.588
  103    H    VAL  16           H        VAL  16   5.151   9.123  13.307
  104    HA   VAL  16           HA       VAL  16   4.921   8.476  16.052
  105    HB   VAL  16           HB       VAL  16   7.391   8.052  15.922
  106   HG11  VAL  16          HG11      VAL  16   5.636   6.364  15.363
  107   HG12  VAL  16          HG12      VAL  16   5.835   6.800  13.665
  108   HG13  VAL  16          HG13      VAL  16   7.183   6.099  14.561
  109   HG21  VAL  16          HG21      VAL  16   6.971   9.057  13.114
  110   HG22  VAL  16          HG22      VAL  16   8.091   9.675  14.328
  111   HG23  VAL  16          HG23      VAL  16   8.363   8.091  13.603
  112    H    ILE  17           H        ILE  17   6.656  11.063  14.346
  113    HA   ILE  17           HA       ILE  17   7.784  12.235  16.658
  114    HB   ILE  17           HB       ILE  17   8.173  14.218  15.252
  115   HG12  ILE  17          HG12      ILE  17   7.489  13.574  12.704
  116   HG13  ILE  17          HG13      ILE  17   6.132  12.879  13.583
  117   HG21  ILE  17          HG21      ILE  17   8.792  11.550  13.998
  118   HG22  ILE  17          HG22      ILE  17   9.527  13.071  13.494
  119   HG23  ILE  17          HG23      ILE  17   9.790  12.463  15.129
  120   HD11  ILE  17          HD11      ILE  17   5.207  14.878  13.705
  121   HD12  ILE  17          HD12      ILE  17   6.593  15.467  14.623
  122   HD13  ILE  17          HD13      ILE  17   6.589  15.579  12.864
  123    H    GLY  18           H        GLY  18   4.767  12.801  14.907
  124    HA2  GLY  18           HA2      GLY  18   3.982  15.121  16.320
  125    HA3  GLY  18           HA3      GLY  18   2.912  14.049  15.429
  126    H    PHE  19           H        PHE  19   3.256  11.687  16.844
  127    HA   PHE  19           HA       PHE  19   1.493  12.089  19.011
  128    HB2  PHE  19           HB2      PHE  19   3.006   9.767  17.907
  129    HB3  PHE  19           HB3      PHE  19   2.321   9.620  19.523
  130    HD1  PHE  19           HD1      PHE  19   0.503   8.213  19.355
  131    HD2  PHE  19           HD2      PHE  19   1.014  11.297  16.466
  132    HE1  PHE  19           HE1      PHE  19  -1.684   7.654  18.377
  133    HE2  PHE  19           HE2      PHE  19  -1.173  10.744  15.484
  134    HZ   PHE  19           HZ       PHE  19  -2.525   8.921  16.439
  135    H    LEU  20           H        LEU  20   4.973  11.464  18.854
  136    HA   LEU  20           HA       LEU  20   5.403  11.248  21.631
  137    HB2  LEU  20           HB2      LEU  20   6.963  11.226  19.258
  138    HB3  LEU  20           HB3      LEU  20   7.694  12.374  20.378
  139    HG   LEU  20           HG       LEU  20   7.666  10.514  22.096
  140   HD11  LEU  20          HD11      LEU  20   7.338   8.713  19.715
  141   HD12  LEU  20          HD12      LEU  20   5.986   9.161  20.754
  142   HD13  LEU  20          HD13      LEU  20   7.360   8.284  21.426
  143   HD21  LEU  20          HD21      LEU  20   9.452   9.310  20.274
  144   HD22  LEU  20          HD22      LEU  20   9.815  10.475  21.548
  145   HD23  LEU  20          HD23      LEU  20   9.437  11.038  19.919
  146    H    PHE  21           H        PHE  21   5.405  14.002  19.429
  147    HA   PHE  21           HA       PHE  21   6.381  15.895  21.302
  148    HB2  PHE  21           HB2      PHE  21   5.504  15.891  18.569
  149    HB3  PHE  21           HB3      PHE  21   4.739  17.227  19.422
  150    HD1  PHE  21           HD1      PHE  21   7.318  16.588  17.366
  151    HD2  PHE  21           HD2      PHE  21   6.633  18.270  21.215
  152    HE1  PHE  21           HE1      PHE  21   9.390  17.899  17.158
  153    HE2  PHE  21           HE2      PHE  21   8.703  19.584  21.013
  154    HZ   PHE  21           HZ       PHE  21  10.084  19.400  18.983
  155    H    ALA  22           H        ALA  22   3.128  14.925  20.305
  156    HA   ALA  22           HA       ALA  22   1.704  16.845  21.783
  157    HB1  ALA  22           HB1      ALA  22  -0.027  14.770  21.707
  158    HB2  ALA  22           HB2      ALA  22   0.250  15.880  20.364
  159    HB3  ALA  22           HB3      ALA  22   1.078  14.323  20.408
  160    H    ILE  23           H        ILE  23   2.725  13.547  22.604
  161    HA   ILE  23           HA       ILE  23   1.510  13.485  25.157
  162    HB   ILE  23           HB       ILE  23   3.853  11.918  24.075
  163   HG12  ILE  23          HG12      ILE  23   1.676  11.592  22.921
  164   HG13  ILE  23          HG13      ILE  23   2.237  10.139  23.741
  165   HG21  ILE  23          HG21      ILE  23   3.200  10.328  25.967
  166   HG22  ILE  23          HG22      ILE  23   4.100  11.781  26.398
  167   HG23  ILE  23          HG23      ILE  23   2.359  11.710  26.669
  168   HD11  ILE  23          HD11      ILE  23   0.130  12.042  24.737
  169   HD12  ILE  23          HD12      ILE  23  -0.137  10.435  24.061
  170   HD13  ILE  23          HD13      ILE  23   0.711  10.616  25.596
  171    H    PHE  24           H        PHE  24   4.678  14.523  24.027
  172    HA   PHE  24           HA       PHE  24   5.855  14.835  26.585
  173    HB2  PHE  24           HB2      PHE  24   6.564  15.400  23.821
  174    HB3  PHE  24           HB3      PHE  24   7.118  16.666  24.911
  175    HD1  PHE  24           HD1      PHE  24   8.024  13.692  23.404
  176    HD2  PHE  24           HD2      PHE  24   8.201  15.676  27.166
  177    HE1  PHE  24           HE1      PHE  24   9.940  12.290  24.049
  178    HE2  PHE  24           HE2      PHE  24  10.118  14.278  27.816
  179    HZ   PHE  24           HZ       PHE  24  10.991  12.583  26.257
  180    H    LEU  25           H        LEU  25   4.068  17.014  24.460
  181    HA   LEU  25           HA       LEU  25   4.471  19.358  25.996
  182    HB2  LEU  25           HB2      LEU  25   3.383  18.790  23.556
  183    HB3  LEU  25           HB3      LEU  25   1.954  19.192  24.506
  184    HG   LEU  25           HG       LEU  25   2.718  21.150  23.335
  185   HD11  LEU  25          HD11      LEU  25   2.530  22.608  25.072
  186   HD12  LEU  25          HD12      LEU  25   3.678  21.731  26.083
  187   HD13  LEU  25          HD13      LEU  25   2.032  21.127  25.890
  188   HD21  LEU  25          HD21      LEU  25   5.208  20.138  23.527
  189   HD22  LEU  25          HD22      LEU  25   5.268  21.362  24.796
  190   HD23  LEU  25          HD23      LEU  25   4.860  21.824  23.143
  191    H    ILE  26           H        ILE  26   1.887  16.936  25.927
  192    HA   ILE  26           HA       ILE  26   0.189  18.211  27.784
  193    HB   ILE  26           HB       ILE  26   0.454  15.298  27.044
  194   HG12  ILE  26          HG12      ILE  26  -0.288  16.869  25.261
  195   HG13  ILE  26          HG13      ILE  26  -1.520  15.689  25.696
  196   HG21  ILE  26          HG21      ILE  26  -1.996  15.375  28.031
  197   HG22  ILE  26          HG22      ILE  26  -0.597  15.054  29.054
  198   HG23  ILE  26          HG23      ILE  26  -1.303  16.669  29.008
  199   HD11  ILE  26          HD11      ILE  26  -1.849  18.016  27.308
  200   HD12  ILE  26          HD12      ILE  26  -1.745  18.486  25.610
  201   HD13  ILE  26          HD13      ILE  26  -2.953  17.310  26.128
  202    H    LEU  27           H        LEU  27   2.695  15.729  28.186
  203    HA   LEU  27           HA       LEU  27   2.341  15.332  30.946
  204    HB2  LEU  27           HB2      LEU  27   4.265  14.594  28.906
  205    HB3  LEU  27           HB3      LEU  27   5.037  14.905  30.459
  206    HG   LEU  27           HG       LEU  27   4.532  12.534  30.153
  207   HD11  LEU  27          HD11      LEU  27   4.261  13.911  32.393
  208   HD12  LEU  27          HD12      LEU  27   3.884  12.191  32.309
  209   HD13  LEU  27          HD13      LEU  27   2.586  13.383  32.228
  210   HD21  LEU  27          HD21      LEU  27   2.470  11.681  29.668
  211   HD22  LEU  27          HD22      LEU  27   2.373  13.211  28.796
  212   HD23  LEU  27          HD23      LEU  27   1.612  13.048  30.379
  213    H    LEU  28           H        LEU  28   4.417  17.556  29.137
  214    HA   LEU  28           HA       LEU  28   5.809  18.607  31.347
  215    HB2  LEU  28           HB2      LEU  28   5.332  19.416  28.539
  216    HB3  LEU  28           HB3      LEU  28   5.863  20.675  29.652
  217    HG   LEU  28           HG       LEU  28   7.382  18.102  29.397
  218   HD11  LEU  28          HD11      LEU  28   7.294  18.836  27.149
  219   HD12  LEU  28          HD12      LEU  28   8.853  19.358  27.786
  220   HD13  LEU  28          HD13      LEU  28   7.537  20.519  27.614
  221   HD21  LEU  28          HD21      LEU  28   7.744  19.804  31.259
  222   HD22  LEU  28          HD22      LEU  28   8.388  20.866  30.007
  223   HD23  LEU  28          HD23      LEU  28   9.162  19.314  30.331
  224    H    LEU  29           H        LEU  29   2.824  19.620  29.736
  225    HA   LEU  29           HA       LEU  29   2.421  21.975  31.236
  226    HB2  LEU  29           HB2      LEU  29   1.268  21.567  29.143
  227    HB3  LEU  29           HB3      LEU  29   0.438  20.180  29.845
  228    HG   LEU  29           HG       LEU  29  -0.032  22.667  31.303
  229   HD11  LEU  29          HD11      LEU  29  -0.302  24.000  29.533
  230   HD12  LEU  29          HD12      LEU  29  -1.763  23.065  29.218
  231   HD13  LEU  29          HD13      LEU  29  -0.259  22.652  28.395
  232   HD21  LEU  29          HD21      LEU  29  -2.440  21.764  30.599
  233   HD22  LEU  29          HD22      LEU  29  -1.511  21.062  31.924
  234   HD23  LEU  29          HD23      LEU  29  -1.509  20.289  30.338
  235    H    VAL  30           H        VAL  30   1.271  18.652  31.683
  236    HA   VAL  30           HA       VAL  30  -0.360  19.132  33.919
  237    HB   VAL  30           HB       VAL  30   1.141  16.612  33.193
  238   HG11  VAL  30          HG11      VAL  30  -1.167  15.896  34.517
  239   HG12  VAL  30          HG12      VAL  30   0.461  15.896  35.196
  240   HG13  VAL  30          HG13      VAL  30  -0.592  17.291  35.429
  241   HG21  VAL  30          HG21      VAL  30  -1.703  16.592  32.716
  242   HG22  VAL  30          HG22      VAL  30  -0.926  17.910  31.840
  243   HG23  VAL  30          HG23      VAL  30  -0.377  16.251  31.605
  244    H    TYR  31           H        TYR  31   3.052  18.186  33.680
  245    HA   TYR  31           HA       TYR  31   3.510  17.939  36.450
  246    HB2  TYR  31           HB2      TYR  31   5.220  18.212  34.027
  247    HB3  TYR  31           HB3      TYR  31   5.966  18.518  35.591
  248    HD1  TYR  31           HD1      TYR  31   7.331  16.691  36.027
  249    HD2  TYR  31           HD2      TYR  31   3.381  16.019  34.598
  250    HE1  TYR  31           HE1      TYR  31   7.628  14.273  36.361
  251    HE2  TYR  31           HE2      TYR  31   3.666  13.599  34.929
  252    HH   TYR  31           HH       TYR  31   5.990  12.014  35.003
  253    H    ARG  32           H        ARG  32   3.974  20.648  34.208
  254    HA   ARG  32           HA       ARG  32   5.126  22.439  36.032
  255    HB2  ARG  32           HB2      ARG  32   3.825  22.624  33.387
  256    HB3  ARG  32           HB3      ARG  32   3.803  24.100  34.343
  257    HG2  ARG  32           HG2      ARG  32   6.361  23.521  34.647
  258    HG3  ARG  32           HG3      ARG  32   6.092  22.652  33.135
  259    HD2  ARG  32           HD2      ARG  32   4.841  25.075  32.718
  260    HD3  ARG  32           HD3      ARG  32   6.277  25.511  33.642
  261    HE   ARG  32           HE       ARG  32   6.183  24.580  30.934
  262   HH11  ARG  32          HH11      ARG  32   8.134  24.748  33.812
  263   HH12  ARG  32          HH12      ARG  32   9.637  24.623  32.958
  264   HH21  ARG  32          HH21      ARG  32   8.154  24.415  29.798
  265   HH22  ARG  32          HH22      ARG  32   9.647  24.435  30.675
  266    H    MET  33           H        MET  33   1.754  21.747  35.249
  267    HA   MET  33           HA       MET  33   0.619  23.850  36.756
  268    HB2  MET  33           HB2      MET  33  -0.430  21.235  35.712
  269    HB3  MET  33           HB3      MET  33  -1.427  22.259  36.738
  270    HG2  MET  33           HG2      MET  33  -0.160  23.652  34.497
  271    HG3  MET  33           HG3      MET  33  -1.309  22.400  34.032
  272    HE1  MET  33           HE1      MET  33  -0.632  25.662  35.864
  273    HE2  MET  33           HE2      MET  33  -1.219  26.063  34.250
  274    HE3  MET  33           HE3      MET  33  -2.163  26.515  35.670
  275    H    ARG  34           H        ARG  34   1.981  20.814  37.642
  276    HA   ARG  34           HA       ARG  34   0.619  20.469  40.116
  277    HB2  ARG  34           HB2      ARG  34   2.269  18.907  38.604
  278    HB3  ARG  34           HB3      ARG  34   3.345  19.376  39.913
  279    HG2  ARG  34           HG2      ARG  34   1.770  18.504  41.546
  280    HG3  ARG  34           HG3      ARG  34   0.652  18.072  40.251
  281    HD2  ARG  34           HD2      ARG  34   1.837  16.244  39.663
  282    HD3  ARG  34           HD3      ARG  34   3.388  17.026  39.964
  283    HE   ARG  34           HE       ARG  34   1.937  15.355  41.760
  284   HH11  ARG  34          HH11      ARG  34   4.099  18.079  41.599
  285   HH12  ARG  34          HH12      ARG  34   4.756  17.817  43.181
  286   HH21  ARG  34          HH21      ARG  34   2.796  14.999  43.843
  287   HH22  ARG  34          HH22      ARG  34   4.015  16.064  44.455
  288    H    LYS  35           H        LYS  35   3.481  22.212  39.116
  289    HA   LYS  35           HA       LYS  35   4.652  22.642  41.626
  290    HB2  LYS  35           HB2      LYS  35   4.875  23.787  38.935
  291    HB3  LYS  35           HB3      LYS  35   5.243  24.929  40.221
  292    HG2  LYS  35           HG2      LYS  35   6.604  22.644  40.966
  293    HG3  LYS  35           HG3      LYS  35   6.795  22.702  39.212
  294    HD2  LYS  35           HD2      LYS  35   8.614  23.909  40.184
  295    HD3  LYS  35           HD3      LYS  35   7.519  25.085  39.453
  296    HE2  LYS  35           HE2      LYS  35   6.500  25.422  41.706
  297    HE3  LYS  35           HE3      LYS  35   7.753  24.379  42.375
  298    HZ1  LYS  35           HZ1      LYS  35   9.040  26.157  42.521
  299    HZ2  LYS  35           HZ2      LYS  35   7.891  27.126  41.746
  300    HZ3  LYS  35           HZ3      LYS  35   9.043  26.287  40.834