*HEADER    ANTIMICROBIAL PROTEIN                   18-MAR-13   2M60              
*TITLE     ENTEROCIN 7B                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENTEROCIN JSB;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ENTEROCIN 7B, ENTEROCIN MR10B, ENTEROCIN NB                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS;                          
*SOURCE   3 ORGANISM_TAXID: 1351;                                                
*SOURCE   4 STRAIN: 710C                                                         
*KEYWDS    LEADERLESS BACTERIOCIN, ANTIMICROBIAL PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.T.LOHANS, K.M.TOWLE, M.MISKOLZIE, R.T.MCKAY, M.J.VAN BELKUM,        
*AUTHOR   2 L.M.MCMULLEN, J.C.VEDERAS                                            
*REVDAT   1   12-JUN-13 2M60    0                                                


  8 VAL  HG11   13 TRP  H       4.98 #SUP  0.84  #QF  0.46
  8 VAL  HG12   13 TRP  H       5.50 #SUP  0.84  #QF  0.46
  8 VAL  HG13   13 TRP  H       5.50 #SUP  0.84  #QF  0.46
  8 VAL  HG22   13 TRP  H       5.50            #peak     1 #SUP  0.60  #QF  0.60
 36 ILE  HG12   37 GLU  H       5.18            #peak     4 #SUP  0.45  #QF  0.45
 36 ILE  HG21   37 GLU  H       4.13            #peak     6 #SUP  0.76  #QF  0.63
  7 LEU  HD23   37 GLU  H       4.43            #peak     7 #SUP  0.88  #QF  0.51
  8 VAL  H       8 VAL  HG21    3.50            #peak    13 #SUP  0.62  #QF  0.28
  8 VAL  H       8 VAL  HG23    3.61            #peak    13 #SUP  0.62  #QF  0.28
 17 LYS  H      17 LYS  HB2     3.62            #peak    15 #SUP  0.36  #QF  0.36
 16 ILE  HG21   17 LYS  H       3.99            #peak    16 #SUP  1.00  #QF  0.94
 17 LYS  H      17 LYS  HG3     5.09            #peak    18 #SUP  0.79  #QF  0.40
 17 LYS  H      17 LYS  HG2     5.09            #peak    20 #SUP  0.94  #QF  0.94
  8 VAL  H       9 ALA  HB3     5.50            #peak    21 #SUP  0.93  #QF  0.62
 33 ILE  H      36 ILE  HD12    5.03            #peak    23 #SUP  0.37  #QF  0.37
 32 THR  HG21   33 ILE  H       5.16            #peak    25 #SUP  0.97  #QF  0.75
 32 THR  HG22   33 ILE  H       5.50            #peak    25 #SUP  0.97  #QF  0.75
 13 TRP  H      14 PRO  HB3     5.50            #peak    28 #SUP  0.96  #QF  0.96
 13 TRP  H      16 ILE  HB      5.50            #peak    29 #SUP  0.52  #QF  0.52
  7 LEU  QB     37 GLU  H       4.66            #peak    31 #SUP  0.90  #QF  0.90
 36 ILE  HB     37 GLU  H       3.52            #peak    32 #SUP  0.86  #QF  0.86
  8 VAL  H       8 VAL  HB      3.09            #peak    36 #SUP  0.36  #QF  0.36
  7 LEU  HG      8 VAL  H       5.05            #peak    37 #SUP  0.93  #QF  0.93
 16 ILE  HB     17 LYS  H       4.15            #peak    38 #SUP  0.91  #QF  0.91
 33 ILE  H      33 ILE  HB      3.15            #peak    39 #SUP  0.76  #QF  0.76
 33 ILE  HA     37 GLU  H       4.63            #peak    43 #SUP  0.71  #QF  0.71
 39 TRP  HB2    40 LEU  H       4.11            #peak    45 #SUP  0.80  #QF  0.80
  4 ILE  HA      8 VAL  H       4.74            #peak    49 #SUP  0.71  #QF  0.71
 36 ILE  HA     40 LEU  H       4.85            #peak    50 #SUP  0.58  #QF  0.58
 13 TRP  H      14 PRO  HD3     3.48            #peak    52 #SUP  0.79  #QF  0.79
 13 TRP  H      14 PRO  HD2     3.48            #peak    53 #SUP  0.81  #QF  0.81
 38 LYS  HA     40 LEU  H       4.87            #peak    55 #SUP  0.88  #QF  0.88
 37 GLU  HA     40 LEU  H       4.00            #peak    56 #SUP  0.67  #QF  0.67
 34 ASP  HA     37 GLU  H       4.45            #peak    58 #SUP  0.76  #QF  0.76
  5 ALA  HA      8 VAL  H       3.98            #peak    60 #SUP  0.76  #QF  0.76
  6 LYS  HA      8 VAL  H       4.95            #peak    61 #SUP  0.63  #QF  0.63
 32 THR  HA     33 ILE  H       2.87            #peak    64 #SUP  0.36  #QF  0.36
 13 TRP  HA     17 LYS  H       4.32            #peak    66 #SUP  0.28  #QF  0.28
 13 TRP  H      13 TRP  HZ3     5.50            #peak    69 #SUP  0.86  #QF  0.86
 35 GLN  H      37 GLU  H       4.82            #peak    70 #SUP  0.90  #QF  0.90
 37 GLU  H      39 TRP  H       5.00            #peak    71 #SUP  0.89  #QF  0.89
 39 TRP  H      40 LEU  H       3.30            #peak    72 #SUP  0.86  #QF  0.86
 40 LEU  H      42 ARG  H       4.90            #peak    74 #SUP  0.88  #QF  0.88
 39 TRP  HE3    40 LEU  H       3.83            #peak    75 #SUP  0.47  #QF  0.47
  8 VAL  H      10 LYS  H       4.92            #peak    76 #SUP  0.73  #QF  0.73
 17 LYS  H      18 LYS  H       3.39            #peak    77 #SUP  0.87  #QF  0.87
 16 ILE  H      17 LYS  H       3.18            #peak    78 #SUP  0.74  #QF  0.74
  6 LYS  H       8 VAL  H       4.79            #peak    79 #SUP  0.95  #QF  0.95
 33 ILE  H      35 GLN  H       5.09            #peak    81 #SUP  0.93  #QF  0.93
 13 TRP  H      15 PHE  H       5.25            #peak    82 #SUP  0.91  #QF  0.91
 12 GLY  H      13 TRP  H       4.50            #peak    84 #SUP  0.91  #QF  0.91
 36 ILE  H      37 GLU  H       3.28            #peak    85 #SUP  0.88  #QF  0.88
 37 GLU  H      38 LYS  H       3.31            #peak    86 #SUP  0.96  #QF  0.96
 40 LEU  H      41 LYS  H       3.38            #peak    87 #SUP  0.89  #QF  0.89
 38 LYS  H      40 LEU  H       4.69            #peak    88 #SUP  0.94  #QF  0.94
  5 ALA  H       8 VAL  H       5.13            #peak    89 #SUP  0.96  #QF  0.96
 15 PHE  H      17 LYS  H       4.47            #peak    90 #SUP  0.95  #QF  0.95
  7 LEU  H       8 VAL  H       3.25            #peak    91 #SUP  0.88  #QF  0.88
 32 THR  H      33 ILE  H       4.90            #peak    93 #SUP  0.86  #QF  0.86
 10 LYS  HB2    12 GLY  H       5.50            #peak    95 #SUP  0.45  #QF  0.45
 27 ILE  H      27 ILE  HD11    5.20            #peak    96 #SUP  0.95  #QF  0.54
 27 ILE  H      27 ILE  HD12    5.50            #peak    96 #SUP  0.95  #QF  0.54
 27 ILE  H      27 ILE  HD13    5.50            #peak    96 #SUP  0.95  #QF  0.54
 27 ILE  H      27 ILE  HG21    5.02            #peak    97 #SUP  0.87  #QF  0.59
 27 ILE  H      27 ILE  HG22    5.50            #peak    97 #SUP  0.87  #QF  0.59
 27 ILE  H      27 ILE  HG23    5.50            #peak    97 #SUP  0.87  #QF  0.59
 23 ILE  HG21   27 ILE  H       5.44            #peak   100 #SUP  0.70  #QF  0.62
 23 ILE  HG22   27 ILE  H       5.50            #peak   100 #SUP  0.70  #QF  0.62
  8 VAL  HG11   12 GLY  H       4.90            #peak   101 #SUP  0.83  #QF  0.44
  8 VAL  HG12   12 GLY  H       5.41            #peak   101 #SUP  0.83  #QF  0.44
  8 VAL  HG13   12 GLY  H       5.50            #peak   101 #SUP  0.83  #QF  0.44
 26 PHE  HB2    27 ILE  H       4.44            #peak   103 #SUP  0.53  #QF  0.53
 26 PHE  HB3    27 ILE  H       4.44            #peak   104 #SUP  0.36  #QF  0.36
 27 ILE  H      27 ILE  HB      3.15            #peak   107 #SUP  0.45  #QF  0.45
 27 ILE  H      31 TRP  HB2     4.65            #peak   110 #SUP  0.71  #QF  0.71
 11 PHE  HB3    12 GLY  H       4.68            #peak   112 #SUP  0.42  #QF  0.42
 11 PHE  HB2    12 GLY  H       4.68            #peak   114 #SUP  0.92  #QF  0.92
  8 VAL  HA     12 GLY  H       3.59            #peak   115 #SUP  0.66  #QF  0.66
 24 MET  HA     27 ILE  H       3.98            #peak   121 #SUP  0.88  #QF  0.88
 27 ILE  H      28 GLY  QA      4.98            #peak   127 #SUP  0.87  #QF  0.87
 26 PHE  QD     27 ILE  H       4.78            #peak   128 #SUP  0.97  #QF  0.97
 10 LYS  H      12 GLY  H       4.71            #peak   131 #SUP  0.83  #QF  0.83
 11 PHE  QD     12 GLY  H       4.86            #peak   132 #SUP  0.92  #QF  0.92
 25 GLN  H      27 ILE  H       4.70            #peak   133 #SUP  0.79  #QF  0.79
 27 ILE  H      29 GLN  H       4.84            #peak   134 #SUP  0.86  #QF  0.86
 26 PHE  H      27 ILE  H       3.42            #peak   135 #SUP  0.84  #QF  0.84
 27 ILE  H      28 GLY  H       3.43            #peak   136 #SUP  0.50  #QF  0.50
 11 PHE  H      12 GLY  H       3.13            #peak   138 #SUP  0.85  #QF  0.85
 36 ILE  H      36 ILE  HG12    4.09            #peak   142 #SUP  0.79  #QF  0.79
 36 ILE  H      36 ILE  HG21    4.83            #peak   143 #SUP  0.87  #QF  0.66
 36 ILE  H      36 ILE  HG22    5.19            #peak   143 #SUP  0.87  #QF  0.66
 32 THR  H      32 THR  HG21    3.31            #peak   144 #SUP  0.88  #QF  0.81
 32 THR  H      32 THR  HG23    3.73            #peak   144 #SUP  0.88  #QF  0.81
 31 TRP  H      36 ILE  HD11    5.50            #peak   147 #SUP  0.51  #QF  0.22
 31 TRP  H      36 ILE  HD13    5.50            #peak   147 #SUP  0.51  #QF  0.22
 23 ILE  H      23 ILE  HD12    4.44            #peak   150 #SUP  0.67  #QF  0.25
 23 ILE  H      23 ILE  HD13    4.63            #peak   150 #SUP  0.67  #QF  0.25
 21 LYS  H      21 LYS  HB2     3.82            #peak   155 #SUP  0.52  #QF  0.52
 23 ILE  H      23 ILE  HG13    3.25            #peak   157 #SUP  0.72  #QF  0.72
 23 ILE  H      23 ILE  HB      3.21            #peak   158 #SUP  0.68  #QF  0.68
 36 ILE  H      36 ILE  HB      3.35            #peak   159 #SUP  0.82  #QF  0.82
 36 ILE  H      36 ILE  HG13    3.24            #peak   161 #SUP  0.93  #QF  0.93
 29 GLN  QG     31 TRP  H       4.53            #peak   162 #SUP  0.87  #QF  0.87
 29 GLN  QB     31 TRP  H       4.75            #peak   164 #SUP  0.49  #QF  0.49
  7 LEU  QB     11 PHE  H       5.26            #peak   165 #SUP  0.62  #QF  0.62
 20 TYR  HB3    21 LYS  H       3.43            #peak   170 #SUP  0.68  #QF  0.68
 31 TRP  H      31 TRP  HB3     4.05            #peak   172 #SUP  0.38  #QF  0.38
 11 PHE  H      11 PHE  HB2     4.11            #peak   175 #SUP  0.90  #QF  0.90
  8 VAL  HA     11 PHE  H       3.81            #peak   176 #SUP  0.52  #QF  0.52
 20 TYR  HA     23 ILE  H       4.18            #peak   178 #SUP  0.97  #QF  0.97
 26 PHE  HA     31 TRP  H       4.97            #peak   179 #SUP  0.76  #QF  0.76
 27 ILE  HA     31 TRP  H       3.96            #peak   180 #SUP  0.41  #QF  0.41
 33 ILE  HA     36 ILE  H       3.93            #peak   183 #SUP  0.82  #QF  0.82
  7 LEU  HA     11 PHE  H       5.12            #peak   188 #SUP  0.46  #QF  0.46
 34 ASP  HA     36 ILE  H       5.20            #peak   190 #SUP  0.90  #QF  0.90
 29 GLN  HA     31 TRP  H       5.43            #peak   193 #SUP  0.54  #QF  0.54
 20 TYR  QD     21 LYS  H       5.03            #peak   196 #SUP  0.93  #QF  0.93
 31 TRP  H      31 TRP  HD1     3.30            #peak   197 #SUP  0.71  #QF  0.71
 10 LYS  H      11 PHE  H       3.40            #peak   198 #SUP  0.86  #QF  0.86
 31 TRP  HE3    36 ILE  H       4.30            #peak   202 #SUP  0.46  #QF  0.46
 35 GLN  H      36 ILE  H       3.36            #peak   203 #SUP  0.90  #QF  0.90
 36 ILE  H      38 LYS  H       4.70            #peak   204 #SUP  0.95  #QF  0.95
 34 ASP  H      36 ILE  H       4.80            #peak   205 #SUP  0.94  #QF  0.94
 21 LYS  H      22 GLN  H       3.31            #peak   206 #SUP  0.85  #QF  0.85
 29 GLN  H      31 TRP  H       4.46            #peak   207 #SUP  0.94  #QF  0.94
 30 GLY  H      31 TRP  H       3.33            #peak   208 #SUP  0.82  #QF  0.82
 23 ILE  H      24 MET  H       3.39            #peak   209 #SUP  0.90  #QF  0.90
 22 GLN  H      23 ILE  H       3.28            #peak   210 #SUP  0.82  #QF  0.82
  7 LEU  H       8 VAL  HG21    5.39            #peak   217 #SUP  0.54  #QF  0.28
  7 LEU  H       8 VAL  HG23    5.50            #peak   217 #SUP  0.54  #QF  0.28
  7 LEU  H       7 LEU  HD22    4.44            #peak   220 #SUP  0.64  #QF  0.45
  7 LEU  H       7 LEU  HD23    5.11            #peak   220 #SUP  0.64  #QF  0.45
 32 THR  HG22   34 ASP  H       5.34            #peak   221 #SUP  0.85  #QF  0.66
 32 THR  HG23   34 ASP  H       5.50            #peak   221 #SUP  0.85  #QF  0.66
  7 LEU  H       7 LEU  HD13    4.12            #peak   223 #SUP  0.35  #QF  0.35
  5 ALA  HB1     7 LEU  H       5.50            #peak   224 #SUP  0.86  #QF  0.45
  7 LEU  H       9 ALA  HB1     5.50            #peak   224 #SUP  0.86  #QF  0.45
 23 ILE  HG21   24 MET  H       3.81            #peak   225 #SUP  0.70  #QF  0.70
 27 ILE  HG21   28 GLY  H       4.53            #peak   227 #SUP  0.84  #QF  0.44
 27 ILE  HG23   28 GLY  H       4.76            #peak   227 #SUP  0.84  #QF  0.44
 23 ILE  HD13   24 MET  H       5.07            #peak   228 #SUP  0.79  #QF  0.79
  4 ILE  HG21    5 ALA  H       4.90            #peak   230 #SUP  0.57  #QF  0.36
  4 ILE  HG23    5 ALA  H       5.34            #peak   230 #SUP  0.57  #QF  0.36
 22 GLN  H      22 GLN  HG3     4.71            #peak   232 #SUP  0.92  #QF  0.92
  5 ALA  H       5 ALA  HB3     2.79            #peak   233 #SUP  0.29  #QF  0.29
  4 ILE  H       4 ILE  HG13    4.02            #peak   234 #SUP  0.64  #QF  0.64
  3 ALA  HB1     4 ILE  H       4.26            #peak   235 #SUP  0.51  #QF  0.37
  3 ALA  HB3     4 ILE  H       4.83            #peak   235 #SUP  0.51  #QF  0.37
  4 ILE  H       4 ILE  HG12    4.02            #peak   237 #SUP  0.51  #QF  0.51
 23 ILE  HB     24 MET  H       3.35            #peak   239 #SUP  0.37  #QF  0.37
  4 ILE  H       4 ILE  HG21    5.16            #peak   241 #SUP  0.79  #QF  0.42
  4 ILE  H       4 ILE  HG22    5.50            #peak   241 #SUP  0.79  #QF  0.42
  4 ILE  H       4 ILE  HG23    5.50            #peak   241 #SUP  0.79  #QF  0.42
  6 LYS  HB3     7 LEU  H       4.38            #peak   243 #SUP  0.89  #QF  0.89
 14 PRO  HG2    15 PHE  H       3.81            #peak   244 #SUP  0.37  #QF  0.37
 38 LYS  H      38 LYS  HB2     3.71            #peak   245 #SUP  0.85  #QF  0.43
 38 LYS  H      38 LYS  HB3     3.71            #peak   246 #SUP  0.39  #QF  0.39
  8 VAL  HB      9 ALA  H       3.49            #peak   251 #SUP  0.43  #QF  0.43
 22 GLN  H      22 GLN  HG2     4.71            #peak   255 #SUP  0.88  #QF  0.88
 29 GLN  QG     30 GLY  H       4.58            #peak   258 #SUP  0.73  #QF  0.73
 15 PHE  H      16 ILE  HB      5.16            #peak   259 #SUP  0.77  #QF  0.58
 14 PRO  HG3    15 PHE  H       4.44            #peak   260 #SUP  0.79  #QF  0.79
  7 LEU  H       7 LEU  QB      3.45            #peak   261 #SUP  0.87  #QF  0.87
  7 LEU  H       7 LEU  HG      3.35            #peak   262 #SUP  0.86  #QF  0.86
  6 LYS  HB2     7 LEU  H       4.38            #peak   263 #SUP  0.48  #QF  0.48
 33 ILE  HB     34 ASP  H       3.71            #peak   264 #SUP  0.77  #QF  0.77
 15 PHE  H      15 PHE  HB3     3.41            #peak   268 #SUP  0.79  #QF  0.79
  4 ILE  HA      7 LEU  H       4.14            #peak   272 #SUP  0.63  #QF  0.63
 15 PHE  H      15 PHE  HB2     3.41            #peak   273 #SUP  0.61  #QF  0.61
 20 TYR  HA     22 GLN  H       4.24            #peak   275 #SUP  0.67  #QF  0.67
 20 TYR  HA     24 MET  H       3.90            #peak   277 #SUP  0.96  #QF  0.96
 35 GLN  HA     38 LYS  H       4.13            #peak   281 #SUP  0.42  #QF  0.42
  2 GLY  QA      3 ALA  H       3.23            #peak   284 #SUP  0.45  #QF  0.45
  5 ALA  HA      7 LEU  H       5.12            #peak   286 #SUP  0.62  #QF  0.62
 38 LYS  HA     41 LYS  H       4.04            #peak   293 #SUP  0.78  #QF  0.78
 20 TYR  HB2    24 MET  H       5.50            #peak   294 #SUP  0.64  #QF  0.64
 34 ASP  HA     38 LYS  H       4.81            #peak   307 #SUP  0.72  #QF  0.72
  1 FME  HA      3 ALA  H       5.22            #peak   308 #SUP  0.75  #QF  0.75
 32 THR  HA     34 ASP  H       5.33            #peak   309 #SUP  0.74  #QF  0.34
 19 PHE  HA     22 GLN  H       5.04            #peak   311 #SUP  0.82  #QF  0.82
  1 FME  HA      4 ILE  H       5.27            #peak   314 #SUP  0.45  #QF  0.45
 34 ASP  H      35 GLN  H       3.41            #peak   315 #SUP  0.89  #QF  0.89
  3 ALA  H       4 ILE  H       3.36            #peak   316 #SUP  0.89  #QF  0.89
 15 PHE  H      16 ILE  H       3.39            #peak   318 #SUP  0.84  #QF  0.84
 28 GLY  H      29 GLN  H       3.58            #peak   319 #SUP  0.81  #QF  0.81
 24 MET  H      25 GLN  H       3.28            #peak   320 #SUP  0.94  #QF  0.94
 41 LYS  H      42 ARG  H       3.45            #peak   321 #SUP  0.84  #QF  0.84
  5 ALA  H       6 LYS  H       3.29            #peak   323 #SUP  0.82  #QF  0.82
 29 GLN  H      30 GLY  H       3.46            #peak   325 #SUP  0.82  #QF  0.82
  2 GLY  H       3 ALA  H       3.69            #peak   335 #SUP  0.83  #QF  0.83
 33 ILE  H      34 ASP  H       3.45            #peak   336 #SUP  0.84  #QF  0.84
 32 THR  H      34 ASP  H       5.44            #peak   340 #SUP  0.72  #QF  0.53
  8 VAL  HG21    9 ALA  H       5.18            #peak   344 #SUP  0.59  #QF  0.29
  8 VAL  HG23    9 ALA  H       5.46            #peak   344 #SUP  0.59  #QF  0.29
 23 ILE  HG21   26 PHE  H       5.50            #peak   346 #SUP  0.91  #QF  0.72
 23 ILE  HG22   26 PHE  H       5.50            #peak   346 #SUP  0.91  #QF  0.72
 26 PHE  H      36 ILE  HD13    5.50            #peak   347 #SUP  0.43  #QF  0.43
 13 TRP  HZ3    16 ILE  HG23    4.90            #peak   352 #SUP  0.86  #QF  0.86
 16 ILE  H      16 ILE  HG21    4.06            #peak   353 #SUP  0.99  #QF  0.81
 42 ARG  QB     43 HIS  H       4.30            #peak   357 #SUP  0.94  #QF  0.94
 32 THR  HG22   35 GLN  H       5.50            #peak   359 #SUP  0.47  #QF  0.28
 32 THR  HG23   35 GLN  H       5.50            #peak   359 #SUP  0.47  #QF  0.28
 16 ILE  H      16 ILE  HB      3.12            #peak   360 #SUP  0.87  #QF  0.87
 29 GLN  H      29 GLN  QB      3.55            #peak   361 #SUP  0.61  #QF  0.61
 29 GLN  H      29 GLN  QG      3.95            #peak   363 #SUP  0.78  #QF  0.78
 34 ASP  QB     35 GLN  H       4.04            #peak   364 #SUP  0.50  #QF  0.50
 35 GLN  H      35 GLN  QB      3.50            #peak   365 #SUP  0.90  #QF  0.90
 13 TRP  QB     13 TRP  HZ3     5.05            #peak   378 #SUP  0.87  #QF  0.87
 15 PHE  HB2    16 ILE  H       4.16            #peak   379 #SUP  0.51  #QF  0.51
 26 PHE  HA     29 GLN  H       4.27            #peak   380 #SUP  0.72  #QF  0.72
 36 ILE  HA     39 TRP  H       4.23            #peak   386 #SUP  0.45  #QF  0.45
 39 TRP  H      39 TRP  HB3     3.39            #peak   387 #SUP  0.61  #QF  0.61
 39 TRP  H      39 TRP  HB2     3.33            #peak   389 #SUP  0.73  #QF  0.73
 22 GLN  HA     26 PHE  H       5.00            #peak   390 #SUP  0.48  #QF  0.48
 23 ILE  HA     26 PHE  H       4.10            #peak   391 #SUP  0.48  #QF  0.48
  5 ALA  HA      9 ALA  H       4.57            #peak   393 #SUP  0.66  #QF  0.66
 31 TRP  HZ3    39 TRP  H       4.94            #peak   405 #SUP  0.63  #QF  0.63
 26 PHE  H      26 PHE  QD      3.86            #peak   406 #SUP  0.83  #QF  0.83
 25 GLN  H      26 PHE  H       3.23            #peak   408 #SUP  0.82  #QF  0.82
  9 ALA  H      10 LYS  H       3.42            #peak   409 #SUP  0.82  #QF  0.82
 42 ARG  H      43 HIS  H       3.50            #peak   410 #SUP  0.84  #QF  0.84
  6 LYS  H       7 LEU  H       3.37            #peak   417 #SUP  0.88  #QF  0.88
 38 LYS  H      39 TRP  H       3.30            #peak   418 #SUP  0.92  #QF  0.92
  8 VAL  H       9 ALA  H       3.30            #peak   421 #SUP  0.83  #QF  0.83
 16 ILE  HG22   20 TYR  H       5.50            #peak   428 #SUP  0.73  #QF  0.73
 20 TYR  H      23 ILE  HD13    4.40            #peak   429 #SUP  0.39  #QF  0.39
 11 PHE  HZ     40 LEU  HD21    5.36            #peak   431 #SUP  0.84  #QF  0.56
 11 PHE  HZ     40 LEU  HD23    5.50            #peak   431 #SUP  0.84  #QF  0.56
  7 LEU  HD23   11 PHE  QD      4.56            #peak   434 #SUP  0.46  #QF  0.46
  7 LEU  HD12   11 PHE  QD      4.52            #peak   445 #SUP  0.39  #QF  0.39
 25 GLN  H      25 GLN  HG3     4.30            #peak   447 #SUP  0.76  #QF  0.76
 13 TRP  HD1    14 PRO  HB3     5.50            #peak   457 #SUP  0.84  #QF  0.84
 25 GLN  H      25 GLN  HG2     4.30            #peak   458 #SUP  0.52  #QF  0.52
  7 LEU  QB     11 PHE  QD      4.38            #peak   462 #SUP  0.95  #QF  0.95
  7 LEU  QB     11 PHE  HZ      5.20            #peak   463 #SUP  0.83  #QF  0.83
 16 ILE  HB     18 LYS  H       5.50            #peak   466 #SUP  0.95  #QF  0.95
 20 TYR  H      20 TYR  HB3     3.24            #peak   468 #SUP  0.48  #QF  0.48
 13 TRP  QB     13 TRP  HD1     3.21            #peak   474 #SUP  0.55  #QF  0.55
 20 TYR  H      20 TYR  HB2     2.93            #peak   476 #SUP  0.39  #QF  0.39
 22 GLN  HA     25 GLN  H       4.10            #peak   477 #SUP  0.50  #QF  0.50
 39 TRP  HB2    39 TRP  HD1     3.30            #peak   478 #SUP  0.68  #QF  0.68
 17 LYS  HA     20 TYR  H       3.74            #peak   480 #SUP  0.79  #QF  0.79
 20 TYR  HA     25 GLN  H       5.50            #peak   487 #SUP  0.60  #QF  0.60
 11 PHE  HZ     37 GLU  HA      4.10            #peak   489 #SUP  0.65  #QF  0.65
  7 LEU  HA     11 PHE  QD      4.12            #peak   490 #SUP  0.46  #QF  0.46
 42 ARG  H      43 HIS  HA      5.12            #peak   492 #SUP  0.84  #QF  0.84
 15 PHE  HA     18 LYS  H       4.54            #peak   494 #SUP  0.78  #QF  0.78
 40 LEU  HA     42 ARG  H       4.62            #peak   495 #SUP  0.81  #QF  0.81
 11 PHE  QD     37 GLU  HA      4.92            #peak   496 #SUP  0.41  #QF  0.41
 11 PHE  HA     11 PHE  QD      3.67            #peak   497 #SUP  0.40  #QF  0.40
 10 LYS  HA     11 PHE  QD      5.50            #peak   499 #SUP  0.53  #QF  0.53
 26 PHE  QE     39 TRP  HD1     4.89            #peak   503 #SUP  0.64  #QF  0.64
 31 TRP  HZ3    39 TRP  HD1     3.91            #peak   504 #SUP  0.59  #QF  0.59
 26 PHE  QE     39 TRP  HZ2     4.85            #peak   505 #SUP  0.89  #QF  0.89
 31 TRP  HH2    39 TRP  HD1     3.53            #peak   507 #SUP  0.56  #QF  0.56
 19 PHE  H      20 TYR  H       3.07            #peak   512 #SUP  0.75  #QF  0.75
 11 PHE  QE     11 PHE  HZ      2.40            #peak   513 #SUP  0.39  #QF  0.39
 20 TYR  H      21 LYS  H       3.57            #peak   517 #SUP  0.85  #QF  0.85
 11 PHE  H      11 PHE  QD      3.57            #peak   518 #SUP  0.89  #QF  0.89
 11 PHE  HZ     41 LYS  H       4.81            #peak   519 #SUP  0.25  #QF  0.25
 39 TRP  H      39 TRP  HD1     5.24            #peak   521 #SUP  0.91  #QF  0.91
 23 ILE  H      25 GLN  H       5.09            #peak   522 #SUP  0.89  #QF  0.89
 16 ILE  H      18 LYS  H       4.93            #peak   523 #SUP  0.55  #QF  0.55
 13 TRP  H      13 TRP  HD1     4.09            #peak   526 #SUP  0.80  #QF  0.80
 15 PHE  QE     40 LEU  HD12    3.82            #peak   534 #SUP  0.71  #QF  0.21
 11 PHE  QE     40 LEU  HD21    3.43            #peak   537 #SUP  0.28  #QF  0.28
  7 LEU  HD23   11 PHE  QE      3.47            #peak   540 #SUP  0.36  #QF  0.36
 18 LYS  QD     19 PHE  QE      4.43            #peak   541 #SUP  0.44  #QF  0.44
  9 ALA  HB1    10 LYS  H       4.39            #peak   544 #SUP  0.97  #QF  0.77
  9 ALA  HB2    10 LYS  H       5.06            #peak   544 #SUP  0.97  #QF  0.77
  9 ALA  HB3    10 LYS  H       5.02            #peak   544 #SUP  0.97  #QF  0.77
 42 ARG  H      42 ARG  QB      3.28            #peak   545 #SUP  0.90  #QF  0.90
 39 TRP  HE3    40 LEU  HD11    5.50            #peak   547 #SUP  0.87  #QF  0.59
 39 TRP  HE3    40 LEU  HD13    5.50            #peak   547 #SUP  0.87  #QF  0.59
 36 ILE  HG22   39 TRP  HE3     4.64            #peak   548 #SUP  0.56  #QF  0.56
 15 PHE  HZ     40 LEU  HD12    4.41            #peak   549 #SUP  0.32  #QF  0.32
 10 LYS  H      10 LYS  HB3     3.77            #peak   551 #SUP  0.37  #QF  0.37
 14 PRO  HB2    15 PHE  QD      5.04            #peak   555 #SUP  0.54  #QF  0.54
 29 GLN  QG     31 TRP  HD1     3.78            #peak   557 #SUP  0.97  #QF  0.92
 19 PHE  H      20 TYR  HB2     5.09            #peak   563 #SUP  0.87  #QF  0.25
 19 PHE  H      20 TYR  HB3     5.50            #peak   569 #SUP  0.72  #QF  0.24
 15 PHE  QD     16 ILE  HA      4.59            #peak   572 #SUP  0.49  #QF  0.49
 19 PHE  H      20 TYR  HA      4.24            #peak   573 #SUP  0.89  #QF  0.89
 39 TRP  HE3    40 LEU  HA      3.26            #peak   575 #SUP  0.40  #QF  0.40
  7 LEU  HA     11 PHE  QE      4.37            #peak   580 #SUP  0.28  #QF  0.28
 11 PHE  QE     37 GLU  HA      3.87            #peak   583 #SUP  0.57  #QF  0.57
 11 PHE  HA     15 PHE  QD      5.15            #peak   586 #SUP  0.80  #QF  0.28
 31 TRP  HA     31 TRP  HD1     4.10            #peak   595 #SUP  0.86  #QF  0.86
 30 GLY  H      31 TRP  HD1     4.69            #peak   614 #SUP  0.72  #QF  0.72
 31 TRP  HD1    32 THR  H       4.63            #peak   615 #SUP  0.94  #QF  0.94
 15 PHE  H      15 PHE  QD      5.33            #peak   617 #SUP  0.55  #QF  0.55
 26 PHE  HZ     39 TRP  HE1     4.19            #peak   618
 31 TRP  HZ3    39 TRP  HE1     5.36            #peak   620 #SUP  0.77  #QF  0.77
 31 TRP  HH2    39 TRP  HE1     5.02            #peak   621 #SUP  0.50  #QF  0.50
 26 PHE  QD     31 TRP  HE1     4.70            #peak   635 #SUP  0.81  #QF  0.81
 23 ILE  HG23   23 ILE  HD11    2.95            #peak   637 #SUP  0.20  #QF  0.20
  8 VAL  HG22   16 ILE  HG23    3.32            #peak   638 #SUP  0.34  #QF  0.34
 36 ILE  HG21   36 ILE  HD12    4.62            #peak   644 #SUP  0.56  #QF  0.20
 36 ILE  HG23   36 ILE  HD12    4.84            #peak   644 #SUP  0.56  #QF  0.20
 36 ILE  HG23   36 ILE  HG12    3.14            #peak   646 #SUP  0.73  #QF  0.42
  7 LEU  HD11    7 LEU  HD21    3.75            #peak   651 #SUP  0.88  #QF  0.30
 23 ILE  HG22   23 ILE  HG13    4.05            #peak   672 #SUP  0.81  #QF  0.55
  7 LEU  HD21   36 ILE  HG12    3.65            #peak   680 #SUP  0.68  #QF  0.68
 23 ILE  HG23   23 ILE  HD13    3.47            #peak   682 #SUP  0.54  #QF  0.41
 16 ILE  HG21   17 LYS  HB3     3.88            #peak   688 #SUP  0.76  #QF  0.53
 16 ILE  HG22   17 LYS  HB3     4.14            #peak   688 #SUP  0.76  #QF  0.53
  7 LEU  HD11   36 ILE  HG12    3.66            #peak   696 #SUP  0.32  #QF  0.32
 36 ILE  HB     36 ILE  HD12    3.60            #peak   701 #SUP  0.89  #QF  0.50
  7 LEU  QB      7 LEU  HD23    3.89            #peak   710 #SUP  0.79  #QF  0.40
  8 VAL  HG22   16 ILE  HB      3.99            #peak   717 #SUP  0.59  #QF  0.46
  8 VAL  HG23   16 ILE  HB      4.37            #peak   717 #SUP  0.59  #QF  0.46
 31 TRP  HB3    36 ILE  HD11    4.26            #peak   722 #SUP  0.65  #QF  0.32
 31 TRP  HB2    36 ILE  HD11    4.52            #peak   724 #SUP  0.60  #QF  0.39
 31 TRP  HB2    36 ILE  HD13    4.79            #peak   724 #SUP  0.60  #QF  0.39
 23 ILE  HA     23 ILE  HD11    5.23            #peak   727 #SUP  0.68  #QF  0.36
 23 ILE  HA     23 ILE  HD12    5.50            #peak   727 #SUP  0.68  #QF  0.36
 23 ILE  HA     23 ILE  HD13    5.50            #peak   727 #SUP  0.68  #QF  0.36
  8 VAL  HA     16 ILE  HG23    4.69            #peak   728 #SUP  0.88  #QF  0.88
 16 ILE  HG22   17 LYS  HA      4.60            #peak   729 #SUP  0.96  #QF  0.77
 36 ILE  HG22   39 TRP  HB3     4.97            #peak   740 #SUP  0.25  #QF  0.25
 33 ILE  HA     36 ILE  HD12    3.64            #peak   741 #SUP  0.53  #QF  0.53
  4 ILE  HA      8 VAL  HG21    4.85            #peak   747 #SUP  0.56  #QF  0.34
  4 ILE  HA      8 VAL  HG23    5.17            #peak   747 #SUP  0.56  #QF  0.34
 24 MET  HA     27 ILE  HG13    4.34            #peak   752 #SUP  0.86  #QF  0.86
 27 ILE  HG21   28 GLY  QA      4.67            #peak   753 #SUP  0.79  #QF  0.46
 27 ILE  HG23   28 GLY  QA      4.91            #peak   753 #SUP  0.79  #QF  0.46
 27 ILE  HA     27 ILE  HG21    3.30            #peak   755 #SUP  0.34  #QF  0.34
 16 ILE  HA     16 ILE  HG21    4.08            #peak   756 #SUP  0.61  #QF  0.38
  4 ILE  HA      4 ILE  HG21    3.73            #peak   757 #SUP  0.88  #QF  0.59
  4 ILE  HA      4 ILE  HG22    4.16            #peak   757 #SUP  0.88  #QF  0.59
 36 ILE  HA     36 ILE  HG22    3.63            #peak   758 #SUP  0.92  #QF  0.51
  7 LEU  HD23   37 GLU  HA      4.47            #peak   759 #SUP  0.54  #QF  0.54
 33 ILE  HA     33 ILE  HG21    4.02            #peak   760 #SUP  0.55  #QF  0.21
 24 MET  HA     27 ILE  HG22    5.50            #peak   763 #SUP  0.78  #QF  0.52
 24 MET  HA     27 ILE  HG23    5.50            #peak   763 #SUP  0.78  #QF  0.52
 36 ILE  HG21   37 GLU  HA      4.79            #peak   766 #SUP  0.87  #QF  0.71
  7 LEU  HD22   33 ILE  HA      4.49            #peak   768 #SUP  0.25  #QF  0.25
  7 LEU  HA      7 LEU  HD22    3.50            #peak   775 #SUP  0.48  #QF  0.27
  7 LEU  HA      7 LEU  HD23    3.73            #peak   775 #SUP  0.48  #QF  0.27
 31 TRP  HE3    36 ILE  HD11    3.90            #peak   779 #SUP  0.25  #QF  0.25
 26 PHE  QD     36 ILE  HD11    5.06            #peak   782 #SUP  0.61  #QF  0.32
 26 PHE  QD     36 ILE  HD13    5.32            #peak   782 #SUP  0.61  #QF  0.32
  4 ILE  HD13   20 TYR  QD      4.37            #peak   788 #SUP  0.22  #QF  0.22
 20 TYR  QD     23 ILE  HG21    5.16            #peak   791 #SUP  0.91  #QF  0.57
 20 TYR  QD     23 ILE  HG23    5.46            #peak   791 #SUP  0.91  #QF  0.57
  8 VAL  HG11   13 TRP  HZ3     4.97            #peak   801 #SUP  0.68  #QF  0.30
  8 VAL  HG12   13 TRP  HZ3     5.50            #peak   801 #SUP  0.68  #QF  0.30
  8 VAL  HG13   13 TRP  HZ3     5.50            #peak   801 #SUP  0.68  #QF  0.30
  8 VAL  HG11    9 ALA  H       5.50            #peak   802 #SUP  1.00  #QF  0.95
  8 VAL  HG12    9 ALA  H       5.50            #peak   802 #SUP  1.00  #QF  0.95
  8 VAL  HG13    9 ALA  H       5.50            #peak   802 #SUP  1.00  #QF  0.95
  8 VAL  HG21   13 TRP  HZ3     4.30            #peak   804 #SUP  0.88  #QF  0.69
  8 VAL  HG22   13 TRP  HZ3     4.63            #peak   804 #SUP  0.88  #QF  0.69
 23 ILE  HG21   25 GLN  H       4.98            #peak   805 #SUP  0.79  #QF  0.79
 15 PHE  QD     40 LEU  HD12    5.50            #peak   809 #SUP  0.72  #QF  0.61
 15 PHE  QD     40 LEU  HD13    5.50            #peak   809 #SUP  0.72  #QF  0.61
 20 TYR  QD     23 ILE  HD11    5.50            #peak   814 #SUP  0.97  #QF  0.72
  4 ILE  HG23   20 TYR  QD      5.50            #peak   816 #SUP  0.86  #QF  0.33
 16 ILE  H      17 LYS  HB3     4.80            #peak   822 #SUP  0.29  #QF  0.29
 40 LEU  HD11   41 LYS  H       4.54            #peak   825 #SUP  0.58  #QF  0.58
  4 ILE  H       4 ILE  HD11    4.88            #peak   829 #SUP  0.99  #QF  0.79
  4 ILE  H       4 ILE  HD13    5.50            #peak   829 #SUP  0.99  #QF  0.79
 23 ILE  HD11   24 MET  H       5.50            #peak   832 #SUP  0.79  #QF  0.22
 33 ILE  H      33 ILE  HG21    5.27            #peak   833 #SUP  0.98  #QF  0.74
 33 ILE  H      33 ILE  HG22    5.50            #peak   833 #SUP  0.98  #QF  0.74
 33 ILE  H      33 ILE  HG23    5.50            #peak   833 #SUP  0.98  #QF  0.74
 36 ILE  H      36 ILE  HG23    5.50            #peak   834 #SUP  0.96  #QF  0.76
 27 ILE  H      36 ILE  HD13    4.51            #peak   837 #SUP  0.90  #QF  0.90
 36 ILE  H      36 ILE  HD11    4.01            #peak   838 #SUP  0.95  #QF  0.68
 36 ILE  H      36 ILE  HD12    4.61            #peak   838 #SUP  0.95  #QF  0.68
 23 ILE  H      23 ILE  HG21    5.16            #peak   842 #SUP  0.94  #QF  0.61
 23 ILE  H      23 ILE  HG22    5.50            #peak   842 #SUP  0.94  #QF  0.61
 23 ILE  H      23 ILE  HG23    5.50            #peak   842 #SUP  0.94  #QF  0.61
  8 VAL  HG22   12 GLY  H       5.06            #peak   843 #SUP  0.63  #QF  0.32
  8 VAL  HG23   12 GLY  H       5.50            #peak   843 #SUP  0.63  #QF  0.32
 40 LEU  H      40 LEU  HD11    5.37            #peak   846 #SUP  0.81  #QF  0.64
 40 LEU  H      40 LEU  HD13    5.50            #peak   846 #SUP  0.81  #QF  0.64
 36 ILE  HG21   40 LEU  H       5.50            #peak   848 #SUP  0.89  #QF  0.54
 36 ILE  HG22   40 LEU  H       5.50            #peak   848 #SUP  0.89  #QF  0.54
 33 ILE  HG21   37 GLU  H       5.50            #peak   850 #SUP  0.87  #QF  0.46
 33 ILE  HG22   37 GLU  H       5.50            #peak   850 #SUP  0.87  #QF  0.46
 36 ILE  HD11   37 GLU  H       5.50            #peak   852 #SUP  0.76  #QF  0.51
 36 ILE  HD12   37 GLU  H       5.50            #peak   852 #SUP  0.76  #QF  0.51
 32 THR  HA     32 THR  HG21    3.14            #peak   879 #SUP  0.24  #QF  0.24
 42 ARG  QB     42 ARG  QD      3.26            #peak   919 #SUP  0.30  #QF  0.30
  7 LEU  QB      7 LEU  HD12    2.96            #peak   933 #SUP  0.83  #QF  0.63
 29 GLN  QB     29 GLN  QG      2.69            #peak   938 #SUP  0.63  #QF  0.63
  5 ALA  HA      8 VAL  HB      4.02            #peak   974 #SUP  0.64  #QF  0.38
 34 ASP  HA     37 GLU  HB2     4.90            #peak   982 #SUP  0.44  #QF  0.44
 26 PHE  HA     29 GLN  QG      3.92            #peak   991 #SUP  0.77  #QF  0.77
  8 VAL  H       8 VAL  HG11    5.21            #peak   998 #SUP  0.88  #QF  0.52
  8 VAL  H       8 VAL  HG12    5.50            #peak   998 #SUP  0.88  #QF  0.52
  8 VAL  H       8 VAL  HG13    5.50            #peak   998 #SUP  0.88  #QF  0.52
 29 GLN  QG     31 TRP  HE1     4.37            #peak  1001 #SUP  0.55  #QF  0.55
 31 TRP  HZ3    39 TRP  HB2     3.58            #peak  1003 #SUP  0.71  #QF  0.71
 31 TRP  HZ3    39 TRP  HB3     4.09            #peak  1004 #SUP  0.50  #QF  0.50
 31 TRP  HZ3    36 ILE  HA      4.12            #peak  1005 #SUP  0.76  #QF  0.76
 26 PHE  QD     36 ILE  HA      4.72            #peak  1006 #SUP  0.91  #QF  0.91
 26 PHE  HA     26 PHE  QD      3.06            #peak  1007 #SUP  0.48  #QF  0.48
 15 PHE  HA     19 PHE  QD      5.50            #peak  1008 #SUP  0.37  #QF  0.37
  8 VAL  HG22   13 TRP  HE3     3.89            #peak  1011 #SUP  0.34  #QF  0.34
  4 ILE  HD11   20 TYR  QE      5.11            #peak  1012 #SUP  0.58  #QF  0.20
  4 ILE  HD12   20 TYR  QE      5.50            #peak  1012 #SUP  0.58  #QF  0.20
  4 ILE  HD13   20 TYR  QE      5.50            #peak  1012 #SUP  0.58  #QF  0.20
 20 TYR  QD     23 ILE  HD13    4.24            #peak  1016 #SUP  0.54  #QF  0.54
 13 TRP  HE3    16 ILE  HG23    3.54            #peak  1017 #SUP  0.68  #QF  0.68
 16 ILE  HG22   20 TYR  QD      3.65            #peak  1018 #SUP  0.37  #QF  0.37
  4 ILE  HG22   20 TYR  QD      4.72            #peak  1019 #SUP  0.20  #QF  0.20
 18 LYS  HB3    19 PHE  QD      4.53            #peak  1029 #SUP  0.42  #QF  0.42
 18 LYS  HB2    19 PHE  QD      4.53            #peak  1030 #SUP  0.47  #QF  0.47
 26 PHE  HE1    39 TRP  HE1     4.82            #peak  1050
  8 VAL  H       9 ALA  HA      5.50            #peak  1063 #SUP  0.59  #QF  0.37
 39 TRP  HB3    40 LEU  H       3.67            #peak  1071 #SUP  0.94  #QF  0.77
 27 ILE  HA     30 GLY  H       4.64            #peak  1114 #SUP  0.56  #QF  0.56
  4 ILE  HA      6 LYS  H       4.36            #peak  1119 #SUP  0.34  #QF  0.34
 40 LEU  HA     43 HIS  H       4.70            #peak  1130 #SUP  0.77  #QF  0.77
 15 PHE  HA     15 PHE  QD      4.10            #peak  1131 #SUP  0.53  #QF  0.21
 16 ILE  HA     19 PHE  H       4.78            #peak  1146 #SUP  0.65  #QF  0.36
 23 ILE  HA     27 ILE  H       5.09            #peak  1173 #SUP  0.78  #QF  0.78
 33 ILE  HA     35 GLN  H       5.41            #peak  1179 #SUP  0.97  #QF  0.97
 31 TRP  HE3    36 ILE  HG12    4.16            #peak  1182 #SUP  0.68  #QF  0.68
 31 TRP  HE3    36 ILE  HG22    5.50            #peak  1183 #SUP  0.82  #QF  0.69
 31 TRP  HE3    36 ILE  HG23    5.50            #peak  1183 #SUP  0.82  #QF  0.69
 31 TRP  HE3    36 ILE  HG13    3.64            #peak  1189 #SUP  0.70  #QF  0.70
 31 TRP  HB3    31 TRP  HE3     3.70            #peak  1197 #SUP  0.31  #QF  0.31
 31 TRP  HE3    39 TRP  HB2     5.08            #peak  1198 #SUP  0.81  #QF  0.81
 31 TRP  HH2    39 TRP  HB2     4.94            #peak  1199 #SUP  0.74  #QF  0.74
 39 TRP  HZ3    40 LEU  HA      4.53            #peak  1202 #SUP  0.36  #QF  0.36
 31 TRP  HE3    36 ILE  HA      3.64            #peak  1203 #SUP  0.54  #QF  0.54
 26 PHE  QD     31 TRP  HE3     4.95            #peak  1205 #SUP  0.31  #QF  0.31
 26 PHE  QE     31 TRP  HH2     4.59            #peak  1208 #SUP  0.65  #QF  0.65
 31 TRP  H      31 TRP  HE3     5.50            #peak  1215 #SUP  0.85  #QF  0.85
 23 ILE  HG22   26 PHE  QD      4.21            #peak  1217 #SUP  0.44  #QF  0.44
 26 PHE  QD     36 ILE  HG12    3.98            #peak  1219 #SUP  0.69  #QF  0.69
 26 PHE  QD     36 ILE  HG22    3.92            #peak  1220 #SUP  0.82  #QF  0.61
 26 PHE  QD     36 ILE  HG23    4.24            #peak  1220 #SUP  0.82  #QF  0.61
 25 GLN  HB3    26 PHE  QD      5.18            #peak  1222 #SUP  0.39  #QF  0.39
 26 PHE  QD     36 ILE  HG13    4.78            #peak  1225 #SUP  0.59  #QF  0.59
 26 PHE  QD     36 ILE  HB      5.21            #peak  1226 #SUP  0.92  #QF  0.92
 25 GLN  HB2    26 PHE  QD      5.18            #peak  1227 #SUP  0.78  #QF  0.78
 23 ILE  HA     26 PHE  QD      3.32            #peak  1231 #SUP  0.49  #QF  0.49
 31 TRP  HB3    31 TRP  HZ3     5.11            #peak  1232 #SUP  0.89  #QF  0.89
 26 PHE  QD     31 TRP  HD1     5.08            #peak  1239 #SUP  0.32  #QF  0.32
 26 PHE  QE     36 ILE  HG12    5.15            #peak  1246 #SUP  0.62  #QF  0.62
 26 PHE  QE     36 ILE  HG22    4.80            #peak  1247 #SUP  0.89  #QF  0.82
 26 PHE  QE     36 ILE  HG23    5.47            #peak  1247 #SUP  0.89  #QF  0.82
 26 PHE  HZ     39 TRP  HZ2     4.78            #peak  1260 #SUP  0.52  #QF  0.52
 26 PHE  QE     31 TRP  HZ2     4.94            #peak  1262 #SUP  0.82  #QF  0.82
 19 PHE  HA     19 PHE  QD      3.72            #peak  1270 #SUP  0.83  #QF  0.83
 33 ILE  HG21   34 ASP  HA      5.50            #peak  1274 #SUP  0.66  #QF  0.34
 33 ILE  HG22   34 ASP  HA      5.50            #peak  1274 #SUP  0.66  #QF  0.34
 23 ILE  HG21   24 MET  HA      4.46            #peak  1279 #SUP  0.81  #QF  0.81
  5 ALA  HA      8 VAL  HG21    4.38            #peak  1281 #SUP  0.65  #QF  0.38
 24 MET  HA     27 ILE  HG12    4.34            #peak  1290 #SUP  0.57  #QF  0.57
  4 ILE  HG21    5 ALA  HA      4.89            #peak  1296 #SUP  0.54  #QF  0.38
  4 ILE  HG23    5 ALA  HA      5.30            #peak  1296 #SUP  0.54  #QF  0.38
 29 GLN  HA     29 GLN  QG      3.53            #peak  1304 #SUP  0.65  #QF  0.65
 34 ASP  HA     37 GLU  HB3     4.90            #peak  1311 #SUP  0.52  #QF  0.52
 33 ILE  HA     36 ILE  HB      4.25            #peak  1317 #SUP  0.74  #QF  0.74
 26 PHE  HA     29 GLN  QB      3.86            #peak  1329 #SUP  0.86  #QF  0.86
 20 TYR  HA     23 ILE  HB      3.81            #peak  1334 #SUP  0.89  #QF  0.89
  8 VAL  HA     16 ILE  HB      4.88            #peak  1342 #SUP  0.63  #QF  0.50
 40 LEU  HA     40 LEU  HD11    4.06            #peak  1348 #SUP  0.76  #QF  0.47
 40 LEU  HA     40 LEU  HD13    4.55            #peak  1348 #SUP  0.76  #QF  0.47
  4 ILE  HA      7 LEU  HD13    3.98            #peak  1356 #SUP  0.74  #QF  0.27
  4 ILE  HA      4 ILE  HD11    4.16            #peak  1357 #SUP  0.95  #QF  0.73
  4 ILE  HA      4 ILE  HD13    4.75            #peak  1357 #SUP  0.95  #QF  0.73
 20 TYR  HA     23 ILE  HG21    4.75            #peak  1359 #SUP  0.74  #QF  0.46
 20 TYR  HA     23 ILE  HG23    5.06            #peak  1359 #SUP  0.74  #QF  0.46
 16 ILE  HG22   20 TYR  HB2     5.25            #peak  1361 #SUP  0.86  #QF  0.69
 20 TYR  HA     23 ILE  HD13    3.34            #peak  1365 #SUP  0.74  #QF  0.74
  8 VAL  HA      8 VAL  HG22    3.83            #peak  1366 #SUP  0.83  #QF  0.55
  8 VAL  HA      8 VAL  HG23    3.97            #peak  1366 #SUP  0.83  #QF  0.55
 17 LYS  HB3    20 TYR  HB2     4.67            #peak  1371 #SUP  0.28  #QF  0.28
 23 ILE  HA     23 ILE  HG22    3.44            #peak  1373 #SUP  0.69  #QF  0.45
 23 ILE  HA     36 ILE  HG22    4.81            #peak  1376 #SUP  0.64  #QF  0.40
 23 ILE  HA     36 ILE  HG23    5.07            #peak  1376 #SUP  0.64  #QF  0.40
 23 ILE  HA     23 ILE  HG13    4.00            #peak  1384 #SUP  0.72  #QF  0.72
 31 TRP  HB3    36 ILE  HG13    3.91            #peak  1391 #SUP  0.55  #QF  0.55
 17 LYS  HA     20 TYR  HB2     3.50            #peak  1409 #SUP  0.54  #QF  0.54
 26 PHE  HA     26 PHE  QE      4.57            #peak  1421 #SUP  0.37  #QF  0.37
 23 ILE  HA     26 PHE  QE      4.61            #peak  1425 #SUP  0.34  #QF  0.34
 17 LYS  HA     20 TYR  QD      4.29            #peak  1431 #SUP  0.95  #QF  0.95
 20 TYR  HA     20 TYR  QD      3.79            #peak  1433 #SUP  0.92  #QF  0.92
 39 TRP  HB3    39 TRP  HE3     3.79            #peak  1434 #SUP  0.56  #QF  0.37
 11 PHE  HB2    15 PHE  QD      4.13            #peak  1441 #SUP  0.73  #QF  0.73
 11 PHE  HB3    15 PHE  QD      4.13            #peak  1452 #SUP  0.82  #QF  0.82
 15 PHE  HB3    16 ILE  H       4.16            #peak  1455 #SUP  0.84  #QF  0.84
 11 PHE  H      11 PHE  HB3     4.11            #peak  1468 #SUP  0.74  #QF  0.47
 31 TRP  HB3    32 THR  H       3.87            #peak  1470 #SUP  0.66  #QF  0.66
 13 TRP  H      13 TRP  QB      3.30            #peak  1476 #SUP  0.77  #QF  0.77
 42 ARG  HA     42 ARG  QD      4.83            #peak  1483 #SUP  0.55  #QF  0.55
 17 LYS  HA     20 TYR  HB3     4.16            #peak  1486 #SUP  0.41  #QF  0.41
  4 ILE  HG21    8 VAL  H       4.71            #peak  1501 #SUP  0.62  #QF  0.48
  4 ILE  HG23    8 VAL  H       5.40            #peak  1501 #SUP  0.62  #QF  0.48
  7 LEU  HD22    8 VAL  H       5.50            #peak  1504 #SUP  0.68  #QF  0.45
  7 LEU  HD23    8 VAL  H       5.50            #peak  1504 #SUP  0.68  #QF  0.45
  8 VAL  H       9 ALA  HB1     4.47            #peak  1508 #SUP  0.23  #QF  0.23
  7 LEU  QB      8 VAL  H       3.70            #peak  1521 #SUP  0.91  #QF  0.91
 31 TRP  HB2    32 THR  H       4.28            #peak  1524 #SUP  0.90  #QF  0.90
 27 ILE  H      29 GLN  QB      4.84            #peak  1526 #SUP  0.91  #QF  0.91
 31 TRP  H      31 TRP  HB2     3.79            #peak  1531 #SUP  0.77  #QF  0.77
  4 ILE  H       4 ILE  HB      3.60            #peak  1553 #SUP  0.91  #QF  0.91
  4 ILE  HB      5 ALA  H       4.06            #peak  1554 #SUP  0.85  #QF  0.85
 22 GLN  H      23 ILE  HG13    4.26            #peak  1571 #SUP  0.50  #QF  0.50
 14 PRO  HG2    15 PHE  QD      4.82            #peak  1579 #SUP  0.36  #QF  0.36
 10 LYS  HB3    11 PHE  QD      4.88            #peak  1586 #SUP  0.79  #QF  0.79
 10 LYS  HB2    11 PHE  QD      4.31            #peak  1591 #SUP  0.57  #QF  0.57
 10 LYS  H      10 LYS  HB2     3.47            #peak  1594 #SUP  0.65  #QF  0.43
  7 LEU  QB      8 VAL  HA      4.28            #peak  1610 #SUP  0.62  #QF  0.62
 21 LYS  H      21 LYS  HB3     3.82            #peak  1617 #SUP  0.54  #QF  0.54
  3 ALA  H       3 ALA  HB1     3.52            #peak  1620 #SUP  0.66  #QF  0.36
  3 ALA  H       3 ALA  HB3     3.67            #peak  1620 #SUP  0.66  #QF  0.36
  9 ALA  H       9 ALA  HB1     3.54            #peak  1623 #SUP  0.94  #QF  0.67
  9 ALA  H       9 ALA  HB3     3.91            #peak  1623 #SUP  0.94  #QF  0.67
  5 ALA  HB1     6 LYS  H       4.23            #peak  1624 #SUP  0.89  #QF  0.66
  5 ALA  HB3     6 LYS  H       4.67            #peak  1624 #SUP  0.89  #QF  0.66
  1 FME  HA      1 FME  QG      3.78            #peak   989
  1 FME  QB      2 GLY  H       4.82            #peak   102
  2 GLY  H       4 ILE  QG1     4.52            #peak    94
  3 ALA  H      27 ILE  QG1     5.34            #peak   216
  3 ALA  HB1    27 ILE  QG1     3.61            #peak   897
  4 ILE  H       4 ILE  QG1     3.24            #peak   234
  4 ILE  HG22    4 ILE  QG1     3.70            #peak   650
  4 ILE  QG1    20 TYR  QE      4.83            #peak  1031
  6 LYS  H       6 LYS  QB      3.26            #peak   370
  6 LYS  H       6 LYS  QG      3.43            #peak   373
  6 LYS  QB      7 LEU  H       3.58            #peak   263
  7 LEU  QB     37 GLU  QG      4.03            #peak  1395
  7 LEU  HD23   37 GLU  QB      4.92            #peak   711
  7 LEU  HD23   37 GLU  QG      3.99            #peak   734
  9 ALA  HB1    10 LYS  QG      5.34            #peak  1641
 11 PHE  QB     12 GLY  H       4.08            #peak   112
 11 PHE  QB     15 PHE  QD      3.55            #peak  1441
 11 PHE  QB     15 PHE  QE      4.93            #peak   569
 11 PHE  QE     37 GLU  QB      4.81            #peak   556
 11 PHE  HZ     37 GLU  QB      4.52            #peak   465
 11 PHE  HZ     37 GLU  QG      4.67            #peak   470
 11 PHE  HZ     40 LEU  QB      4.49            #peak   455
 13 TRP  H      14 PRO  QD      2.91            #peak    53
 13 TRP  QB     14 PRO  QD      3.27            #peak  1413
 13 TRP  HD1    14 PRO  QD      3.87            #peak   488
 14 PRO  QD     15 PHE  H       4.07            #peak   288
 14 PRO  QD     17 LYS  H       5.35            #peak  1064
 15 PHE  H      15 PHE  QB      2.98            #peak   273
 15 PHE  HA     17 LYS  QG      5.34            #peak  1284
 15 PHE  HA     18 LYS  QB      4.23            #peak  1289
 15 PHE  QB     16 ILE  H       3.50            #peak  1455
 15 PHE  QE     40 LEU  QB      5.06            #peak   578
 16 ILE  H      17 LYS  QG      5.25            #peak   350
 16 ILE  HA     18 LYS  QB      5.21            #peak  1352
 17 LYS  H      18 LYS  QB      5.34            #peak    21
 17 LYS  QG     18 LYS  H       3.49            #peak   442
 17 LYS  QG     18 LYS  HA      4.11            #peak  1349
 17 LYS  QG     19 PHE  H       4.81            #peak   543
 18 LYS  H      18 LYS  QB      3.28            #peak   443
 18 LYS  H      18 LYS  QG      4.77            #peak   439
 18 LYS  QB     19 PHE  QD      3.83            #peak  1029
 18 LYS  QG     19 PHE  QD      4.73            #peak  1009
 19 PHE  QD     22 GLN  QB      5.32            #peak  1036
 19 PHE  QD     22 GLN  QG      4.73            #peak  1022
 20 TYR  HA     24 MET  QB      4.46            #peak   969
 20 TYR  QD     24 MET  QB      4.39            #peak  1037
 20 TYR  QE     24 MET  QB      4.31            #peak  1038
 20 TYR  QE     24 MET  QG      4.81            #peak  1049
 21 LYS  H      21 LYS  QB      3.11            #peak   155
 21 LYS  H      21 LYS  QG      4.63            #peak   145
 21 LYS  QB     22 GLN  H       3.91            #peak   249
 22 GLN  H      22 GLN  QB      3.48            #peak   250
 22 GLN  H      22 GLN  QG      4.08            #peak   232
 22 GLN  HA     22 GLN  QG      3.68            #peak  1372
 22 GLN  HA     25 GLN  QB      3.84            #peak  1381
 22 GLN  HA     25 GLN  QG      4.20            #peak  1380
 22 GLN  QB     23 ILE  H       3.70            #peak   156
 22 GLN  QB     26 PHE  QD      5.34            #peak  1228
 22 GLN  QB     39 TRP  HH2     5.03            #peak  1040
 22 GLN  QG     23 ILE  H       4.08            #peak   151
 22 GLN  QG     26 PHE  QD      5.34            #peak  1221
 22 GLN  QG     26 PHE  QE      4.39            #peak  1248
 22 GLN  QG     26 PHE  HZ      4.90            #peak  1249
 22 GLN  QG     39 TRP  HZ2     4.53            #peak   464
 22 GLN  QG     39 TRP  HH2     3.91            #peak  1043
 24 MET  H      24 MET  QB      2.85            #peak   245
 24 MET  H      24 MET  QG      4.43            #peak  1550
 24 MET  HA     27 ILE  QG1     3.51            #peak  1290
 24 MET  QB     24 MET  QG      2.36            #peak   940
 24 MET  QB     25 GLN  H       4.07            #peak  1574
 24 MET  QG     25 GLN  H       5.18            #peak   460
 25 GLN  H      25 GLN  QB      3.19            #peak   449
 25 GLN  H      25 GLN  QG      3.43            #peak   447
 25 GLN  QB     25 GLN  QE2     4.58            #peak  1035
 25 GLN  QB     26 PHE  H       3.74            #peak   372
 25 GLN  QB     26 PHE  QD      4.35            #peak  1222
 25 GLN  QB     26 PHE  QE      5.03            #peak  1250
 26 PHE  H      26 PHE  QB      3.39            #peak   368
 26 PHE  QB     27 ILE  H       3.60            #peak   103
 26 PHE  QB     31 TRP  H       4.74            #peak   163
 26 PHE  QB     31 TRP  HB2     3.87            #peak   947
 26 PHE  QB     31 TRP  HE3     4.83            #peak  1190
 26 PHE  QB     36 ILE  HD13    4.16            #peak   725
 27 ILE  H      27 ILE  QG1     3.14            #peak   108
 27 ILE  HA     27 ILE  QG1     3.56            #peak   744
 27 ILE  HG22   27 ILE  QG1     2.80            #peak   687
 27 ILE  QG1    28 GLY  H       4.84            #peak   828
 27 ILE  QG1    36 ILE  HD13    4.13            #peak   677
 29 GLN  HA     29 GLN  QE2     4.80            #peak   591
 29 GLN  QG     29 GLN  QE2     3.33            #peak   557
 29 GLN  QE2    31 TRP  HE1     5.03            #peak   633
 30 GLY  QA     31 TRP  HD1     5.25            #peak   592
 31 TRP  HE3    35 GLN  QG      5.18            #peak  1192
 33 ILE  H      33 ILE  QG1     3.71            #peak    26
 33 ILE  HG22   37 GLU  QG      4.51            #peak  1378
 33 ILE  QG1    34 ASP  H       4.60            #peak   267
 35 GLN  H      35 GLN  QG      3.53            #peak   366
 35 GLN  HA     35 GLN  QG      3.72            #peak  1322
 35 GLN  HA     38 LYS  QB      3.88            #peak  1321
 35 GLN  QG     36 ILE  H       4.97            #peak   166
 37 GLU  H      37 GLU  QG      3.38            #peak    41
 37 GLU  H      38 LYS  QB      5.13            #peak    33
 37 GLU  HA     40 LEU  QB      4.17            #peak  1603
 37 GLU  QB     38 LYS  H       4.40            #peak  1552
 37 GLU  QG     38 LYS  H       4.86            #peak   270
 38 LYS  H      38 LYS  QB      2.95            #peak   245
 38 LYS  H      38 LYS  QG      4.47            #peak   240
 38 LYS  H      38 LYS  QD      4.64            #peak   242
 38 LYS  HA     41 LYS  QB      4.45            #peak  1341
 38 LYS  QB     39 TRP  H       3.37            #peak   371
 40 LEU  H      40 LEU  QB      3.21            #peak    34
 40 LEU  QB     40 LEU  HD11    3.68            #peak   908
 40 LEU  QB     40 LEU  HD21    3.59            #peak   670
 40 LEU  QB     41 LYS  H       3.75            #peak   252
 41 LYS  H      41 LYS  QB      3.11            #peak   253
 41 LYS  H      41 LYS  QG      4.39            #peak   248
 41 LYS  QB     42 ARG  H       4.41            #peak   453
 42 ARG  H      43 HIS  QB      4.87            #peak   467

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HCN  FME   1           HF       FME   1   1.710  -0.147   2.084
    2    HA   FME   1           HA       FME   1   1.326   0.298  -2.110
    3    HB2  FME   1           HB2      FME   1   3.943   0.927  -2.059
    4    HB3  FME   1           HB3      FME   1   3.511   1.358  -0.367
    5    HG2  FME   1           HG2      FME   1   3.116   3.399  -1.472
    6    HG3  FME   1           HG3      FME   1   1.466   2.680  -1.500
    7    HE1  FME   1           HE8      FME   1   4.817   3.280  -3.343
    8    HE2  FME   1           HE2      FME   1   3.718   4.707  -3.529
    9    HE3  FME   1           HE3      FME   1   4.229   3.752  -4.989
   10    H    GLY   2           H        GLY   2   0.744  -2.022  -1.819
   11    HA2  GLY   2           HA2      GLY   2   3.111  -3.562  -2.685
   12    HA3  GLY   2           HA3      GLY   2   1.896  -4.266  -1.629
   13    H    ALA   3           H        ALA   3  -0.434  -3.369  -2.801
   14    HA   ALA   3           HA       ALA   3  -0.380  -4.860  -5.332
   15    HB1  ALA   3           HB1      ALA   3  -2.979  -4.203  -4.110
   16    HB2  ALA   3           HB2      ALA   3  -2.408  -5.708  -4.832
   17    HB3  ALA   3           HB3      ALA   3  -1.944  -5.289  -3.183
   18    H    ILE   4           H        ILE   4  -1.051  -1.760  -3.943
   19    HA   ILE   4           HA       ILE   4  -2.696  -0.665  -5.933
   20    HB   ILE   4           HB       ILE   4  -0.655   0.765  -4.225
   21   HG12  ILE   4          HG12      ILE   4  -2.312  -0.534  -2.922
   22   HG13  ILE   4          HG13      ILE   4  -2.501   1.201  -2.697
   23   HG21  ILE   4          HG21      ILE   4  -2.434   1.677  -6.298
   24   HG22  ILE   4          HG22      ILE   4  -2.832   2.429  -4.754
   25   HG23  ILE   4          HG23      ILE   4  -1.200   2.567  -5.406
   26   HD11  ILE   4          HD11      ILE   4  -4.160  -0.442  -4.590
   27   HD12  ILE   4          HD12      ILE   4  -4.632  -0.040  -2.939
   28   HD13  ILE   4          HD13      ILE   4  -4.410   1.242  -4.129
   29    H    ALA   5           H        ALA   5   0.827  -0.827  -5.647
   30    HA   ALA   5           HA       ALA   5   1.475   0.780  -7.849
   31    HB1  ALA   5           HB1      ALA   5   3.646  -0.439  -7.825
   32    HB2  ALA   5           HB2      ALA   5   3.161   0.195  -6.252
   33    HB3  ALA   5           HB3      ALA   5   2.971  -1.522  -6.606
   34    H    LYS   6           H        LYS   6   0.776  -2.676  -7.614
   35    HA   LYS   6           HA       LYS   6   1.482  -3.444 -10.199
   36    HB2  LYS   6           HB2      LYS   6  -0.714  -4.508  -8.415
   37    HB3  LYS   6           HB3      LYS   6  -0.144  -5.306  -9.875
   38    HG2  LYS   6           HG2      LYS   6   1.873  -4.616  -7.816
   39    HG3  LYS   6           HG3      LYS   6   0.757  -5.938  -7.466
   40    HD2  LYS   6           HD2      LYS   6   1.390  -6.901  -9.715
   41    HD3  LYS   6           HD3      LYS   6   2.677  -5.694  -9.774
   42    HE2  LYS   6           HE2      LYS   6   3.482  -6.590  -7.572
   43    HE3  LYS   6           HE3      LYS   6   2.313  -7.898  -7.751
   44    HZ1  LYS   6           HZ1      LYS   6   3.917  -7.573 -10.088
   45    HZ2  LYS   6           HZ2      LYS   6   3.650  -8.956  -9.153
   46    HZ3  LYS   6           HZ3      LYS   6   4.868  -7.866  -8.720
   47    H    LEU   7           H        LEU   7  -1.265  -1.670  -9.043
   48    HA   LEU   7           HA       LEU   7  -2.655  -1.945 -11.599
   49    HB2  LEU   7           HB2      LEU   7  -3.585  -0.329  -9.249
   50    HB3  LEU   7           HB3      LEU   7  -4.544  -1.015 -10.559
   51    HG   LEU   7           HG       LEU   7  -3.138  -2.713  -8.509
   52   HD11  LEU   7          HD11      LEU   7  -5.780  -2.831  -7.866
   53   HD12  LEU   7          HD12      LEU   7  -5.586  -1.126  -8.271
   54   HD13  LEU   7          HD13      LEU   7  -4.576  -1.855  -7.023
   55   HD21  LEU   7          HD21      LEU   7  -5.247  -4.131  -9.314
   56   HD22  LEU   7          HD22      LEU   7  -3.694  -4.179 -10.149
   57   HD23  LEU   7          HD23      LEU   7  -4.998  -3.165 -10.769
   58    H    VAL   8           H        VAL   8  -1.061   0.466  -9.586
   59    HA   VAL   8           HA       VAL   8  -1.721   2.727 -11.145
   60    HB   VAL   8           HB       VAL   8   0.670   2.290  -9.349
   61   HG11  VAL   8          HG11      VAL   8   1.400   4.245 -10.114
   62   HG12  VAL   8          HG12      VAL   8  -0.060   4.478 -11.078
   63   HG13  VAL   8          HG13      VAL   8  -0.024   4.991  -9.391
   64   HG21  VAL   8          HG21      VAL   8  -0.627   2.739  -7.578
   65   HG22  VAL   8          HG22      VAL   8  -1.511   4.007  -8.428
   66   HG23  VAL   8          HG23      VAL   8  -1.972   2.317  -8.638
   67    H    ALA   9           H        ALA   9   0.767   0.294 -11.414
   68    HA   ALA   9           HA       ALA   9   2.623   1.544 -13.036
   69    HB1  ALA   9           HB1      ALA   9   1.794  -1.248 -12.568
   70    HB2  ALA   9           HB2      ALA   9   2.692  -0.941 -14.056
   71    HB3  ALA   9           HB3      ALA   9   3.394  -0.508 -12.497
   72    H    LYS  10           H        LYS  10  -0.571   0.403 -13.811
   73    HA   LYS  10           HA       LYS  10  -0.116   0.973 -16.659
   74    HB2  LYS  10           HB2      LYS  10  -2.458  -0.453 -15.387
   75    HB3  LYS  10           HB3      LYS  10  -2.122  -0.313 -17.108
   76    HG2  LYS  10           HG2      LYS  10  -0.278  -1.695 -15.177
   77    HG3  LYS  10           HG3      LYS  10  -1.559  -2.523 -16.067
   78    HD2  LYS  10           HD2      LYS  10  -0.538  -1.740 -18.182
   79    HD3  LYS  10           HD3      LYS  10   0.777  -1.021 -17.250
   80    HE2  LYS  10           HE2      LYS  10   0.059  -3.939 -17.091
   81    HE3  LYS  10           HE3      LYS  10   1.227  -3.302 -18.247
   82    HZ1  LYS  10           HZ1      LYS  10   2.384  -4.087 -16.327
   83    HZ2  LYS  10           HZ2      LYS  10   1.408  -3.178 -15.287
   84    HZ3  LYS  10           HZ3      LYS  10   2.480  -2.398 -16.338
   85    H    PHE  11           H        PHE  11  -2.243   1.698 -13.932
   86    HA   PHE  11           HA       PHE  11  -3.854   3.548 -15.419
   87    HB2  PHE  11           HB2      PHE  11  -3.609   3.125 -12.432
   88    HB3  PHE  11           HB3      PHE  11  -4.847   4.094 -13.225
   89    HD1  PHE  11           HD1      PHE  11  -5.578   2.403 -15.500
   90    HD2  PHE  11           HD2      PHE  11  -4.741   1.359 -11.460
   91    HE1  PHE  11           HE1      PHE  11  -6.997   0.405 -15.727
   92    HE2  PHE  11           HE2      PHE  11  -6.157  -0.641 -11.680
   93    HZ   PHE  11           HZ       PHE  11  -7.286  -1.120 -13.815
   94    H    GLY  12           H        GLY  12  -1.968   4.187 -12.466
   95    HA2  GLY  12           HA2      GLY  12  -0.084   5.777 -12.596
   96    HA3  GLY  12           HA3      GLY  12  -1.060   6.701 -13.728
   97    H    TRP  13           H        TRP  13  -0.129   8.156 -11.774
   98    HA   TRP  13           HA       TRP  13  -1.633   8.155  -9.370
   99    HB2  TRP  13           HB2      TRP  13  -0.392  10.664 -10.423
  100    HB3  TRP  13           HB3      TRP  13  -0.421  10.033  -8.778
  101    HD1  TRP  13           HD1      TRP  13   1.946  10.600 -11.430
  102    HE1  TRP  13           HE1      TRP  13   4.021   9.094 -11.209
  103    HE3  TRP  13           HE3      TRP  13   0.125   7.198  -8.077
  104    HZ2  TRP  13           HZ2      TRP  13   4.785   6.770  -9.800
  105    HZ3  TRP  13           HZ3      TRP  13   1.592   5.363  -7.344
  106    HH2  TRP  13           HH2      TRP  13   3.874   5.155  -8.190
  107    HA   PRO  14           HA       PRO  14  -4.113  11.731 -11.507
  108    HB2  PRO  14           HB2      PRO  14  -3.893  11.911 -14.207
  109    HB3  PRO  14           HB3      PRO  14  -2.829  12.781 -13.096
  110    HG2  PRO  14           HG2      PRO  14  -2.339  10.226 -14.578
  111    HG3  PRO  14           HG3      PRO  14  -1.250  11.604 -14.332
  112    HD2  PRO  14           HD2      PRO  14  -1.081   9.333 -12.867
  113    HD3  PRO  14           HD3      PRO  14  -0.672  10.929 -12.205
  114    H    PHE  15           H        PHE  15  -3.773   8.517 -12.524
  115    HA   PHE  15           HA       PHE  15  -6.455   8.454 -13.714
  116    HB2  PHE  15           HB2      PHE  15  -4.264   7.357 -14.730
  117    HB3  PHE  15           HB3      PHE  15  -4.698   6.043 -13.642
  118    HD1  PHE  15           HD1      PHE  15  -6.881   4.897 -13.908
  119    HD2  PHE  15           HD2      PHE  15  -5.458   7.748 -16.730
  120    HE1  PHE  15           HE1      PHE  15  -8.495   4.057 -15.565
  121    HE2  PHE  15           HE2      PHE  15  -7.071   6.914 -18.391
  122    HZ   PHE  15           HZ       PHE  15  -8.592   5.067 -17.809
  123    H    ILE  16           H        ILE  16  -4.503   7.111 -11.113
  124    HA   ILE  16           HA       ILE  16  -6.583   5.384 -10.146
  125    HB   ILE  16           HB       ILE  16  -4.143   4.942  -9.803
  126   HG12  ILE  16          HG12      ILE  16  -5.740   5.136  -7.242
  127   HG13  ILE  16          HG13      ILE  16  -5.952   3.873  -8.449
  128   HG21  ILE  16          HG21      ILE  16  -3.633   7.343  -9.214
  129   HG22  ILE  16          HG22      ILE  16  -4.310   7.006  -7.622
  130   HG23  ILE  16          HG23      ILE  16  -2.888   6.124  -8.180
  131   HD11  ILE  16          HD11      ILE  16  -3.913   2.896  -7.964
  132   HD12  ILE  16          HD12      ILE  16  -3.278   4.358  -7.208
  133   HD13  ILE  16          HD13      ILE  16  -4.504   3.397  -6.380
  134    H    LYS  17           H        LYS  17  -5.518   8.645  -9.530
  135    HA   LYS  17           HA       LYS  17  -6.858   9.009  -7.054
  136    HB2  LYS  17           HB2      LYS  17  -6.353  11.318  -7.287
  137    HB3  LYS  17           HB3      LYS  17  -4.993  10.444  -7.982
  138    HG2  LYS  17           HG2      LYS  17  -5.917  10.830 -10.227
  139    HG3  LYS  17           HG3      LYS  17  -7.235  11.757  -9.506
  140    HD2  LYS  17           HD2      LYS  17  -4.327  12.440  -9.115
  141    HD3  LYS  17           HD3      LYS  17  -5.314  13.115 -10.414
  142    HE2  LYS  17           HE2      LYS  17  -6.836  14.079  -8.791
  143    HE3  LYS  17           HE3      LYS  17  -5.935  13.338  -7.470
  144    HZ1  LYS  17           HZ1      LYS  17  -4.618  15.098  -7.429
  145    HZ2  LYS  17           HZ2      LYS  17  -5.483  15.809  -8.696
  146    HZ3  LYS  17           HZ3      LYS  17  -4.150  14.824  -9.032
  147    H    LYS  18           H        LYS  18  -7.917   8.923 -10.315
  148    HA   LYS  18           HA       LYS  18 -10.210  10.564 -10.113
  149    HB2  LYS  18           HB2      LYS  18  -9.350   8.376 -11.974
  150    HB3  LYS  18           HB3      LYS  18 -10.983   9.021 -12.074
  151    HG2  LYS  18           HG2      LYS  18  -8.640  10.872 -12.115
  152    HG3  LYS  18           HG3      LYS  18  -9.117  10.003 -13.576
  153    HD2  LYS  18           HD2      LYS  18 -11.439  10.913 -13.225
  154    HD3  LYS  18           HD3      LYS  18 -10.764  11.940 -11.958
  155    HE2  LYS  18           HE2      LYS  18 -10.546  13.395 -13.677
  156    HE3  LYS  18           HE3      LYS  18  -9.048  12.502 -13.934
  157    HZ1  LYS  18           HZ1      LYS  18 -11.446  11.463 -15.227
  158    HZ2  LYS  18           HZ2      LYS  18  -9.850  11.507 -15.783
  159    HZ3  LYS  18           HZ3      LYS  18 -10.808  12.899 -15.851
  160    H    PHE  19           H        PHE  19  -9.578   7.221  -9.303
  161    HA   PHE  19           HA       PHE  19 -12.179   7.089  -7.983
  162    HB2  PHE  19           HB2      PHE  19 -11.187   4.951  -9.880
  163    HB3  PHE  19           HB3      PHE  19 -12.644   4.855  -8.896
  164    HD1  PHE  19           HD1      PHE  19 -11.064   6.529 -11.764
  165    HD2  PHE  19           HD2      PHE  19 -14.651   5.953  -9.545
  166    HE1  PHE  19           HE1      PHE  19 -12.350   7.589 -13.574
  167    HE2  PHE  19           HE2      PHE  19 -15.942   7.011 -11.353
  168    HZ   PHE  19           HZ       PHE  19 -14.792   7.830 -13.371
  169    H    TYR  20           H        TYR  20  -9.714   7.476  -6.790
  170    HA   TYR  20           HA       TYR  20  -8.389   5.146  -5.966
  171    HB2  TYR  20           HB2      TYR  20  -7.429   7.379  -5.675
  172    HB3  TYR  20           HB3      TYR  20  -8.689   7.785  -4.516
  173    HD1  TYR  20           HD1      TYR  20  -6.024   5.222  -5.061
  174    HD2  TYR  20           HD2      TYR  20  -8.222   7.557  -2.264
  175    HE1  TYR  20           HE1      TYR  20  -4.619   4.352  -3.239
  176    HE2  TYR  20           HE2      TYR  20  -6.822   6.694  -0.435
  177    HH   TYR  20           HH       TYR  20  -3.995   5.417  -0.727
  178    H    LYS  21           H        LYS  21 -11.367   6.589  -4.941
  179    HA   LYS  21           HA       LYS  21 -11.567   5.307  -2.412
  180    HB2  LYS  21           HB2      LYS  21 -12.891   7.335  -3.380
  181    HB3  LYS  21           HB3      LYS  21 -13.958   6.102  -4.039
  182    HG2  LYS  21           HG2      LYS  21 -14.944   6.716  -2.018
  183    HG3  LYS  21           HG3      LYS  21 -14.111   5.202  -1.658
  184    HD2  LYS  21           HD2      LYS  21 -12.305   6.367  -0.606
  185    HD3  LYS  21           HD3      LYS  21 -12.928   7.928  -1.148
  186    HE2  LYS  21           HE2      LYS  21 -14.868   7.688   0.271
  187    HE3  LYS  21           HE3      LYS  21 -14.368   6.063   0.735
  188    HZ1  LYS  21           HZ1      LYS  21 -13.741   7.498   2.479
  189    HZ2  LYS  21           HZ2      LYS  21 -13.051   8.626   1.424
  190    HZ3  LYS  21           HZ3      LYS  21 -12.311   7.123   1.657
  191    H    GLN  22           H        GLN  22 -12.349   4.376  -5.683
  192    HA   GLN  22           HA       GLN  22 -13.754   1.986  -4.787
  193    HB2  GLN  22           HB2      GLN  22 -14.518   3.391  -6.756
  194    HB3  GLN  22           HB3      GLN  22 -13.118   2.778  -7.627
  195    HG2  GLN  22           HG2      GLN  22 -14.736   1.328  -8.328
  196    HG3  GLN  22           HG3      GLN  22 -14.078   0.449  -6.949
  197   HE21  GLN  22          HE21      GLN  22 -16.623   0.004  -8.010
  198   HE22  GLN  22          HE22      GLN  22 -17.798   0.458  -6.827
  199    H    ILE  23           H        ILE  23 -10.846   2.864  -6.618
  200    HA   ILE  23           HA       ILE  23  -9.947   0.261  -7.142
  201    HB   ILE  23           HB       ILE  23  -8.301   2.765  -6.760
  202   HG12  ILE  23          HG12      ILE  23  -9.081   1.543  -9.392
  203   HG13  ILE  23          HG13      ILE  23 -10.174   2.644  -8.562
  204   HG21  ILE  23          HG21      ILE  23  -6.922   0.784  -6.577
  205   HG22  ILE  23          HG22      ILE  23  -7.608   0.139  -8.067
  206   HG23  ILE  23          HG23      ILE  23  -6.610   1.592  -8.113
  207   HD11  ILE  23          HD11      ILE  23  -7.563   3.181  -9.863
  208   HD12  ILE  23          HD12      ILE  23  -9.067   4.102  -9.912
  209   HD13  ILE  23          HD13      ILE  23  -8.037   4.171  -8.483
  210    H    MET  24           H        MET  24  -8.852   2.516  -4.599
  211    HA   MET  24           HA       MET  24  -7.186   0.738  -3.254
  212    HB2  MET  24           HB2      MET  24  -7.308   3.209  -2.885
  213    HB3  MET  24           HB3      MET  24  -8.804   2.958  -1.995
  214    HG2  MET  24           HG2      MET  24  -7.238   1.261  -0.663
  215    HG3  MET  24           HG3      MET  24  -6.012   2.399  -1.216
  216    HE1  MET  24           HE1      MET  24  -6.964   1.936   2.123
  217    HE2  MET  24           HE2      MET  24  -5.525   2.498   1.273
  218    HE3  MET  24           HE3      MET  24  -6.355   3.567   2.404
  219    H    GLN  25           H        GLN  25 -10.639   1.002  -3.269
  220    HA   GLN  25           HA       GLN  25 -11.135  -0.386  -0.837
  221    HB2  GLN  25           HB2      GLN  25 -12.717   0.599  -3.114
  222    HB3  GLN  25           HB3      GLN  25 -13.377  -0.830  -2.329
  223    HG2  GLN  25           HG2      GLN  25 -12.599   1.662  -0.840
  224    HG3  GLN  25           HG3      GLN  25 -14.218   1.369  -1.474
  225   HE21  GLN  25          HE21      GLN  25 -15.377  -0.480  -0.670
  226   HE22  GLN  25          HE22      GLN  25 -15.069  -1.057   0.929
  227    H    PHE  26           H        PHE  26 -10.986  -1.383  -4.235
  228    HA   PHE  26           HA       PHE  26 -11.786  -4.018  -3.989
  229    HB2  PHE  26           HB2      PHE  26  -9.727  -2.783  -5.823
  230    HB3  PHE  26           HB3      PHE  26 -10.305  -4.437  -5.990
  231    HD1  PHE  26           HD1      PHE  26 -13.149  -4.216  -5.508
  232    HD2  PHE  26           HD2      PHE  26 -10.544  -1.591  -7.616
  233    HE1  PHE  26           HE1      PHE  26 -15.048  -3.418  -6.854
  234    HE2  PHE  26           HE2      PHE  26 -12.439  -0.789  -8.965
  235    HZ   PHE  26           HZ       PHE  26 -14.694  -1.701  -8.585
  236    H    ILE  27           H        ILE  27  -8.478  -2.727  -3.740
  237    HA   ILE  27           HA       ILE  27  -7.139  -5.101  -3.238
  238    HB   ILE  27           HB       ILE  27  -6.515  -2.382  -2.079
  239   HG12  ILE  27          HG12      ILE  27  -6.645  -2.313  -4.509
  240   HG13  ILE  27          HG13      ILE  27  -4.963  -2.198  -4.001
  241   HG21  ILE  27          HG21      ILE  27  -5.042  -4.969  -2.125
  242   HG22  ILE  27          HG22      ILE  27  -4.128  -3.467  -2.264
  243   HG23  ILE  27          HG23      ILE  27  -5.147  -3.752  -0.853
  244   HD11  ILE  27          HD11      ILE  27  -4.895  -4.734  -4.392
  245   HD12  ILE  27          HD12      ILE  27  -6.384  -4.481  -5.302
  246   HD13  ILE  27          HD13      ILE  27  -4.902  -3.662  -5.792
  247    H    GLY  28           H        GLY  28  -8.591  -2.850  -0.891
  248    HA2  GLY  28           HA2      GLY  28  -7.893  -4.316   1.414
  249    HA3  GLY  28           HA3      GLY  28  -9.186  -3.131   1.308
  250    H    GLN  29           H        GLN  29 -10.320  -4.860  -0.959
  251    HA   GLN  29           HA       GLN  29 -11.999  -6.456   0.772
  252    HB2  GLN  29           HB2      GLN  29 -13.124  -5.244  -0.953
  253    HB3  GLN  29           HB3      GLN  29 -12.051  -5.887  -2.190
  254    HG2  GLN  29           HG2      GLN  29 -14.195  -6.965  -2.326
  255    HG3  GLN  29           HG3      GLN  29 -12.976  -8.127  -1.804
  256   HE21  GLN  29          HE21      GLN  29 -14.275  -9.519  -0.732
  257   HE22  GLN  29          HE22      GLN  29 -15.177  -9.110   0.683
  258    H    GLY  30           H        GLY  30  -9.395  -6.938  -1.488
  259    HA2  GLY  30           HA2      GLY  30  -8.049  -8.948  -1.207
  260    HA3  GLY  30           HA3      GLY  30  -9.542  -9.833  -0.929
  261    H    TRP  31           H        TRP  31  -9.520  -7.462  -3.429
  262    HA   TRP  31           HA       TRP  31 -10.078  -9.458  -5.410
  263    HB2  TRP  31           HB2      TRP  31  -9.964  -6.474  -5.355
  264    HB3  TRP  31           HB3      TRP  31  -9.886  -7.288  -6.915
  265    HD1  TRP  31           HD1      TRP  31 -12.071  -8.765  -4.164
  266    HE1  TRP  31           HE1      TRP  31 -14.542  -8.518  -4.842
  267    HE3  TRP  31           HE3      TRP  31 -11.487  -5.806  -8.292
  268    HZ2  TRP  31           HZ2      TRP  31 -16.044  -7.238  -6.861
  269    HZ3  TRP  31           HZ3      TRP  31 -13.491  -5.115  -9.541
  270    HH2  TRP  31           HH2      TRP  31 -15.721  -5.818  -8.839
  271    H    THR  32           H        THR  32  -8.785 -10.251  -6.984
  272    HA   THR  32           HA       THR  32  -6.000 -10.211  -6.665
  273    HB   THR  32           HB       THR  32  -5.854 -11.454  -8.717
  274    HG1  THR  32           HG1      THR  32  -8.007 -11.669  -9.890
  275   HG21  THR  32          HG21      THR  32  -7.425 -12.211  -6.579
  276   HG22  THR  32          HG22      THR  32  -6.846 -13.273  -7.863
  277   HG23  THR  32          HG23      THR  32  -8.450 -12.549  -7.973
  278    H    ILE  33           H        ILE  33  -4.426  -9.559  -8.381
  279    HA   ILE  33           HA       ILE  33  -4.585  -6.779  -8.842
  280    HB   ILE  33           HB       ILE  33  -2.720  -8.793 -10.102
  281   HG12  ILE  33          HG12      ILE  33  -2.165  -6.966  -7.766
  282   HG13  ILE  33          HG13      ILE  33  -2.769  -8.606  -7.557
  283   HG21  ILE  33          HG21      ILE  33  -2.786  -6.721 -11.364
  284   HG22  ILE  33          HG22      ILE  33  -2.515  -5.793  -9.890
  285   HG23  ILE  33          HG23      ILE  33  -1.255  -6.864 -10.501
  286   HD11  ILE  33          HD11      ILE  33  -0.618  -8.937  -9.236
  287   HD12  ILE  33          HD12      ILE  33  -0.090  -7.667  -8.132
  288   HD13  ILE  33          HD13      ILE  33  -0.638  -9.218  -7.496
  289    H    ASP  34           H        ASP  34  -5.559  -9.523 -10.710
  290    HA   ASP  34           HA       ASP  34  -5.730  -8.059 -13.199
  291    HB2  ASP  34           HB2      ASP  34  -6.922 -10.767 -12.606
  292    HB3  ASP  34           HB3      ASP  34  -6.484 -10.098 -14.176
  293    H    GLN  35           H        GLN  35  -7.782  -8.845 -10.520
  294    HA   GLN  35           HA       GLN  35 -10.301  -8.582 -11.695
  295    HB2  GLN  35           HB2      GLN  35  -9.267  -8.130  -8.915
  296    HB3  GLN  35           HB3      GLN  35 -10.941  -7.764  -9.311
  297    HG2  GLN  35           HG2      GLN  35  -9.886 -10.428 -10.073
  298    HG3  GLN  35           HG3      GLN  35 -10.200 -10.114  -8.366
  299   HE21  GLN  35          HE21      GLN  35 -11.824 -11.743  -8.492
  300   HE22  GLN  35          HE22      GLN  35 -13.379 -11.378  -9.150
  301    H    ILE  36           H        ILE  36  -8.208  -6.124 -10.217
  302    HA   ILE  36           HA       ILE  36 -10.027  -3.980 -10.771
  303    HB   ILE  36           HB       ILE  36  -7.106  -3.876 -10.012
  304   HG12  ILE  36          HG12      ILE  36  -8.381  -3.087  -7.800
  305   HG13  ILE  36          HG13      ILE  36  -9.636  -4.128  -8.463
  306   HG21  ILE  36          HG21      ILE  36  -7.208  -1.683 -10.321
  307   HG22  ILE  36          HG22      ILE  36  -8.862  -1.839 -10.909
  308   HG23  ILE  36          HG23      ILE  36  -8.558  -1.579  -9.191
  309   HD11  ILE  36          HD11      ILE  36  -8.404  -6.027  -8.170
  310   HD12  ILE  36          HD12      ILE  36  -6.862  -5.176  -8.275
  311   HD13  ILE  36          HD13      ILE  36  -7.837  -5.058  -6.811
  312    H    GLU  37           H        GLU  37  -6.857  -4.925 -12.100
  313    HA   GLU  37           HA       GLU  37  -6.606  -2.987 -14.049
  314    HB2  GLU  37           HB2      GLU  37  -5.606  -5.774 -13.749
  315    HB3  GLU  37           HB3      GLU  37  -5.445  -5.019 -15.328
  316    HG2  GLU  37           HG2      GLU  37  -4.321  -3.090 -14.152
  317    HG3  GLU  37           HG3      GLU  37  -4.272  -4.114 -12.718
  318    H    LYS  38           H        LYS  38  -8.603  -5.851 -14.030
  319    HA   LYS  38           HA       LYS  38  -9.324  -5.538 -16.830
  320    HB2  LYS  38           HB2      LYS  38 -10.154  -7.522 -14.712
  321    HB3  LYS  38           HB3      LYS  38 -10.823  -7.514 -16.338
  322    HG2  LYS  38           HG2      LYS  38  -8.762  -8.095 -17.304
  323    HG3  LYS  38           HG3      LYS  38  -7.872  -7.719 -15.826
  324    HD2  LYS  38           HD2      LYS  38  -8.499  -9.672 -14.792
  325    HD3  LYS  38           HD3      LYS  38  -9.984  -9.820 -15.733
  326    HE2  LYS  38           HE2      LYS  38  -8.563 -10.311 -17.733
  327    HE3  LYS  38           HE3      LYS  38  -7.166 -10.356 -16.659
  328    HZ1  LYS  38           HZ1      LYS  38  -9.232 -12.321 -17.069
  329    HZ2  LYS  38           HZ2      LYS  38  -8.899 -12.021 -15.438
  330    HZ3  LYS  38           HZ3      LYS  38  -7.659 -12.513 -16.478
  331    H    TRP  39           H        TRP  39 -10.752  -5.121 -13.633
  332    HA   TRP  39           HA       TRP  39 -13.387  -4.603 -14.412
  333    HB2  TRP  39           HB2      TRP  39 -12.844  -4.996 -12.090
  334    HB3  TRP  39           HB3      TRP  39 -11.811  -3.570 -12.047
  335    HD1  TRP  39           HD1      TRP  39 -15.472  -4.623 -11.922
  336    HE1  TRP  39           HE1      TRP  39 -16.893  -2.604 -11.194
  337    HE3  TRP  39           HE3      TRP  39 -11.879  -0.992 -12.108
  338    HZ2  TRP  39           HZ2      TRP  39 -16.538   0.162 -10.757
  339    HZ3  TRP  39           HZ3      TRP  39 -12.502   1.315 -11.520
  340    HH2  TRP  39           HH2      TRP  39 -14.784   1.878 -10.859
  341    H    LEU  40           H        LEU  40 -10.568  -2.506 -14.255
  342    HA   LEU  40           HA       LEU  40 -12.172  -0.209 -15.093
  343    HB2  LEU  40           HB2      LEU  40 -10.575   0.109 -13.271
  344    HB3  LEU  40           HB3      LEU  40  -9.262  -0.404 -14.329
  345    HG   LEU  40           HG       LEU  40  -9.502   1.575 -15.676
  346   HD11  LEU  40          HD11      LEU  40 -11.946   1.768 -15.538
  347   HD12  LEU  40          HD12      LEU  40 -11.137   3.296 -15.190
  348   HD13  LEU  40          HD13      LEU  40 -11.798   2.329 -13.872
  349   HD21  LEU  40          HD21      LEU  40  -8.187   2.607 -14.220
  350   HD22  LEU  40          HD22      LEU  40  -8.804   1.579 -12.926
  351   HD23  LEU  40          HD23      LEU  40  -9.599   3.112 -13.290
  352    H    LYS  41           H        LYS  41  -9.086  -1.719 -16.061
  353    HA   LYS  41           HA       LYS  41  -8.018  -1.825 -18.071
  354    HB2  LYS  41           HB2      LYS  41 -10.228  -3.194 -18.365
  355    HB3  LYS  41           HB3      LYS  41 -10.693  -1.869 -19.423
  356    HG2  LYS  41           HG2      LYS  41  -9.754  -3.245 -20.960
  357    HG3  LYS  41           HG3      LYS  41  -8.309  -2.358 -20.469
  358    HD2  LYS  41           HD2      LYS  41  -7.465  -4.131 -19.270
  359    HD3  LYS  41           HD3      LYS  41  -9.059  -4.833 -18.982
  360    HE2  LYS  41           HE2      LYS  41  -7.767  -4.734 -21.700
  361    HE3  LYS  41           HE3      LYS  41  -7.568  -6.088 -20.589
  362    HZ1  LYS  41           HZ1      LYS  41  -9.333  -6.737 -21.905
  363    HZ2  LYS  41           HZ2      LYS  41 -10.002  -5.185 -21.984
  364    HZ3  LYS  41           HZ3      LYS  41 -10.124  -6.087 -20.558
  365    H    ARG  42           H        ARG  42  -8.367   0.782 -17.132
  366    HA   ARG  42           HA       ARG  42  -8.200   2.952 -17.790
  367    HB2  ARG  42           HB2      ARG  42  -6.682   1.630 -19.509
  368    HB3  ARG  42           HB3      ARG  42  -7.915   2.149 -20.650
  369    HG2  ARG  42           HG2      ARG  42  -7.456   4.427 -20.269
  370    HG3  ARG  42           HG3      ARG  42  -6.500   4.070 -18.829
  371    HD2  ARG  42           HD2      ARG  42  -4.752   3.113 -20.128
  372    HD3  ARG  42           HD3      ARG  42  -5.744   3.129 -21.586
  373    HE   ARG  42           HE       ARG  42  -5.515   5.757 -20.705
  374   HH11  ARG  42          HH11      ARG  42  -3.458   3.222 -21.915
  375   HH12  ARG  42          HH12      ARG  42  -2.316   4.312 -22.629
  376   HH21  ARG  42          HH21      ARG  42  -4.018   7.202 -21.640
  377   HH22  ARG  42          HH22      ARG  42  -2.635   6.575 -22.470
  378    H    HIS  43           H        HIS  43 -10.728   2.322 -17.399
  379    HA   HIS  43           HA       HIS  43 -12.484   2.548 -19.588
  380    HB2  HIS  43           HB2      HIS  43 -13.044   1.739 -17.250
  381    HB3  HIS  43           HB3      HIS  43 -13.083   3.431 -16.763
  382    HD1  HIS  43           HD1      HIS  43 -15.482   3.958 -16.449
  383    HD2  HIS  43           HD2      HIS  43 -14.812   1.786 -19.926
  384    HE1  HIS  43           HE1      HIS  43 -17.713   3.833 -17.604
  Start of MODEL    2
    1    HCN  FME   1           HF       FME   1   0.991   2.765  -2.718
    2    HA   FME   1           HA       FME   1   1.441  -0.488  -0.058
    3    HB2  FME   1           HB2      FME   1   0.640   2.340   0.623
    4    HB3  FME   1           HB3      FME   1   1.910   1.251   1.283
    5    HG2  FME   1           HG2      FME   1  -1.133   0.922   1.776
    6    HG3  FME   1           HG3      FME   1   0.038   1.642   2.937
    7    HE1  FME   1           HE8      FME   1  -1.362  -0.330   4.317
    8    HE2  FME   1           HE2      FME   1  -1.066  -2.106   4.117
    9    HE3  FME   1           HE3      FME   1  -2.012  -1.190   2.863
   10    H    GLY   2           H        GLY   2   0.350  -2.100  -0.696
   11    HA2  GLY   2           HA2      GLY   2  -1.632  -3.356  -0.173
   12    HA3  GLY   2           HA3      GLY   2  -2.574  -1.892  -0.415
   13    H    ALA   3           H        ALA   3  -0.185  -3.695  -2.356
   14    HA   ALA   3           HA       ALA   3  -0.208  -4.374  -4.530
   15    HB1  ALA   3           HB1      ALA   3  -3.147  -4.692  -3.935
   16    HB2  ALA   3           HB2      ALA   3  -2.324  -5.350  -5.350
   17    HB3  ALA   3           HB3      ALA   3  -1.889  -5.913  -3.736
   18    H    ILE   4           H        ILE   4  -0.477  -1.532  -3.991
   19    HA   ILE   4           HA       ILE   4  -2.153  -0.626  -6.222
   20    HB   ILE   4           HB       ILE   4  -0.776   1.020  -4.096
   21   HG12  ILE   4          HG12      ILE   4  -2.562  -0.405  -3.176
   22   HG13  ILE   4          HG13      ILE   4  -3.008   1.298  -3.128
   23   HG21  ILE   4          HG21      ILE   4  -2.046   1.708  -6.587
   24   HG22  ILE   4          HG22      ILE   4  -2.896   2.439  -5.226
   25   HG23  ILE   4          HG23      ILE   4  -1.172   2.735  -5.452
   26   HD11  ILE   4          HD11      ILE   4  -3.938   0.267  -5.580
   27   HD12  ILE   4          HD12      ILE   4  -4.388  -0.880  -4.318
   28   HD13  ILE   4          HD13      ILE   4  -4.878   0.809  -4.190
   29    H    ALA   5           H        ALA   5   1.135  -0.999  -5.218
   30    HA   ALA   5           HA       ALA   5   2.364   0.846  -6.962
   31    HB1  ALA   5           HB1      ALA   5   3.499  -1.734  -5.889
   32    HB2  ALA   5           HB2      ALA   5   4.414  -0.373  -6.539
   33    HB3  ALA   5           HB3      ALA   5   3.503  -0.187  -5.040
   34    H    LYS   6           H        LYS   6   1.072  -2.346  -7.438
   35    HA   LYS   6           HA       LYS   6   2.403  -2.788  -9.953
   36    HB2  LYS   6           HB2      LYS   6   0.015  -4.242  -8.806
   37    HB3  LYS   6           HB3      LYS   6   1.072  -4.805 -10.094
   38    HG2  LYS   6           HG2      LYS   6   2.044  -4.258  -7.304
   39    HG3  LYS   6           HG3      LYS   6   1.443  -5.832  -7.828
   40    HD2  LYS   6           HD2      LYS   6   3.548  -4.494  -9.456
   41    HD3  LYS   6           HD3      LYS   6   4.012  -5.242  -7.927
   42    HE2  LYS   6           HE2      LYS   6   2.728  -7.299  -8.791
   43    HE3  LYS   6           HE3      LYS   6   2.828  -6.520 -10.369
   44    HZ1  LYS   6           HZ1      LYS   6   4.670  -7.951 -10.214
   45    HZ2  LYS   6           HZ2      LYS   6   5.061  -7.433  -8.652
   46    HZ3  LYS   6           HZ3      LYS   6   5.292  -6.397  -9.969
   47    H    LEU   7           H        LEU   7  -0.708  -1.582  -8.869
   48    HA   LEU   7           HA       LEU   7  -1.858  -1.537 -11.505
   49    HB2  LEU   7           HB2      LEU   7  -2.866   0.044  -9.168
   50    HB3  LEU   7           HB3      LEU   7  -3.775  -0.646 -10.511
   51    HG   LEU   7           HG       LEU   7  -2.448  -2.313  -8.381
   52   HD11  LEU   7          HD11      LEU   7  -5.303  -2.259  -8.200
   53   HD12  LEU   7          HD12      LEU   7  -4.667  -0.620  -8.066
   54   HD13  LEU   7          HD13      LEU   7  -4.098  -1.878  -6.969
   55   HD21  LEU   7          HD21      LEU   7  -4.492  -3.770  -9.325
   56   HD22  LEU   7          HD22      LEU   7  -2.866  -3.829 -10.006
   57   HD23  LEU   7          HD23      LEU   7  -4.107  -2.833 -10.769
   58    H    VAL   8           H        VAL   8  -0.478   0.854  -9.283
   59    HA   VAL   8           HA       VAL   8  -0.955   3.111 -10.918
   60    HB   VAL   8           HB       VAL   8   1.159   2.704  -8.797
   61   HG11  VAL   8          HG11      VAL   8   1.982   4.642  -9.533
   62   HG12  VAL   8          HG12      VAL   8   0.598   4.917 -10.593
   63   HG13  VAL   8          HG13      VAL   8   0.516   5.387  -8.894
   64   HG21  VAL   8          HG21      VAL   8  -0.372   3.201  -7.227
   65   HG22  VAL   8          HG22      VAL   8  -1.188   4.384  -8.250
   66   HG23  VAL   8          HG23      VAL   8  -1.531   2.665  -8.444
   67    H    ALA   9           H        ALA   9   1.486   0.653 -10.939
   68    HA   ALA   9           HA       ALA   9   3.564   1.966 -12.262
   69    HB1  ALA   9           HB1      ALA   9   2.744  -0.838 -11.868
   70    HB2  ALA   9           HB2      ALA   9   3.813  -0.530 -13.237
   71    HB3  ALA   9           HB3      ALA   9   4.307  -0.062 -11.610
   72    H    LYS  10           H        LYS  10   0.478   0.952 -13.402
   73    HA   LYS  10           HA       LYS  10   1.304   1.504 -16.177
   74    HB2  LYS  10           HB2      LYS  10  -1.109  -0.089 -15.307
   75    HB3  LYS  10           HB3      LYS  10  -0.471   0.073 -16.938
   76    HG2  LYS  10           HG2      LYS  10   1.033  -1.221 -14.677
   77    HG3  LYS  10           HG3      LYS  10   0.026  -2.103 -15.827
   78    HD2  LYS  10           HD2      LYS  10   2.199  -0.280 -16.791
   79    HD3  LYS  10           HD3      LYS  10   2.576  -1.920 -16.257
   80    HE2  LYS  10           HE2      LYS  10   2.221  -2.283 -18.491
   81    HE3  LYS  10           HE3      LYS  10   0.595  -2.550 -17.865
   82    HZ1  LYS  10           HZ1      LYS  10  -0.182  -0.686 -18.835
   83    HZ2  LYS  10           HZ2      LYS  10   1.118  -0.927 -19.889
   84    HZ3  LYS  10           HZ3      LYS  10   1.254   0.181 -18.618
   85    H    PHE  11           H        PHE  11  -0.927   2.248 -13.613
   86    HA   PHE  11           HA       PHE  11  -2.584   3.928 -15.296
   87    HB2  PHE  11           HB2      PHE  11  -2.606   3.424 -12.315
   88    HB3  PHE  11           HB3      PHE  11  -3.770   4.440 -13.158
   89    HD1  PHE  11           HD2      PHE  11  -4.282   2.864 -15.582
   90    HD2  PHE  11           HD1      PHE  11  -3.841   1.628 -11.533
   91    HE1  PHE  11           HE2      PHE  11  -5.677   0.889 -16.037
   92    HE2  PHE  11           HE1      PHE  11  -5.234  -0.350 -11.981
   93    HZ   PHE  11           HZ       PHE  11  -6.155  -0.721 -14.235
   94    H    GLY  12           H        GLY  12  -0.716   4.513 -12.307
   95    HA2  GLY  12           HA2      GLY  12   1.005   6.258 -12.333
   96    HA3  GLY  12           HA3      GLY  12  -0.053   7.181 -13.391
   97    H    TRP  13           H        TRP  13   0.868   8.498 -11.283
   98    HA   TRP  13           HA       TRP  13  -0.664   8.248  -8.912
   99    HB2  TRP  13           HB2      TRP  13   0.506  10.876  -9.731
  100    HB3  TRP  13           HB3      TRP  13   0.480  10.107  -8.147
  101    HD1  TRP  13           HD1      TRP  13   2.852  10.965 -10.718
  102    HE1  TRP  13           HE1      TRP  13   4.974   9.513 -10.595
  103    HE3  TRP  13           HE3      TRP  13   1.115   7.248  -7.668
  104    HZ2  TRP  13           HZ2      TRP  13   5.801   7.110  -9.367
  105    HZ3  TRP  13           HZ3      TRP  13   2.635   5.409  -7.068
  106    HH2  TRP  13           HH2      TRP  13   4.929   5.343  -7.901
  107    HA   PRO  14           HA       PRO  14  -3.237  11.915 -10.767
  108    HB2  PRO  14           HB2      PRO  14  -2.997  12.331 -13.439
  109    HB3  PRO  14           HB3      PRO  14  -1.972  13.136 -12.245
  110    HG2  PRO  14           HG2      PRO  14  -1.386  10.734 -13.933
  111    HG3  PRO  14           HG3      PRO  14  -0.344  12.119 -13.557
  112    HD2  PRO  14           HD2      PRO  14  -0.116   9.738 -12.289
  113    HD3  PRO  14           HD3      PRO  14   0.234  11.283 -11.488
  114    H    PHE  15           H        PHE  15  -2.783   8.811 -12.052
  115    HA   PHE  15           HA       PHE  15  -5.442   8.766 -13.289
  116    HB2  PHE  15           HB2      PHE  15  -3.226   7.818 -14.360
  117    HB3  PHE  15           HB3      PHE  15  -3.588   6.421 -13.353
  118    HD1  PHE  15           HD1      PHE  15  -5.568   5.069 -13.764
  119    HD2  PHE  15           HD2      PHE  15  -4.589   8.378 -16.256
  120    HE1  PHE  15           HE1      PHE  15  -7.143   4.248 -15.467
  121    HE2  PHE  15           HE2      PHE  15  -6.162   7.563 -17.962
  122    HZ   PHE  15           HZ       PHE  15  -7.443   5.496 -17.569
  123    H    ILE  16           H        ILE  16  -3.504   7.272 -10.759
  124    HA   ILE  16           HA       ILE  16  -5.530   5.408  -9.971
  125    HB   ILE  16           HB       ILE  16  -3.080   5.074  -9.562
  126   HG12  ILE  16          HG12      ILE  16  -3.665   4.588  -6.927
  127   HG13  ILE  16          HG13      ILE  16  -5.271   4.692  -7.640
  128   HG21  ILE  16          HG21      ILE  16  -2.584   7.369  -8.832
  129   HG22  ILE  16          HG22      ILE  16  -3.511   7.086  -7.359
  130   HG23  ILE  16          HG23      ILE  16  -2.038   6.166  -7.664
  131   HD11  ILE  16          HD11      ILE  16  -3.772   2.447  -7.537
  132   HD12  ILE  16          HD12      ILE  16  -5.049   2.745  -8.716
  133   HD13  ILE  16          HD13      ILE  16  -3.366   3.052  -9.143
  134    H    LYS  17           H        LYS  17  -4.665   8.672  -9.108
  135    HA   LYS  17           HA       LYS  17  -6.222   8.750  -6.701
  136    HB2  LYS  17           HB2      LYS  17  -5.670  11.065  -6.602
  137    HB3  LYS  17           HB3      LYS  17  -4.242  10.228  -7.196
  138    HG2  LYS  17           HG2      LYS  17  -4.735  10.918  -9.460
  139    HG3  LYS  17           HG3      LYS  17  -6.234  11.681  -8.925
  140    HD2  LYS  17           HD2      LYS  17  -4.513  13.360  -9.212
  141    HD3  LYS  17           HD3      LYS  17  -4.918  13.206  -7.501
  142    HE2  LYS  17           HE2      LYS  17  -2.950  11.754  -7.196
  143    HE3  LYS  17           HE3      LYS  17  -2.538  11.981  -8.895
  144    HZ1  LYS  17           HZ1      LYS  17  -1.924  14.149  -8.551
  145    HZ2  LYS  17           HZ2      LYS  17  -1.442  13.456  -7.086
  146    HZ3  LYS  17           HZ3      LYS  17  -2.884  14.336  -7.171
  147    H    LYS  18           H        LYS  18  -6.908   9.005 -10.033
  148    HA   LYS  18           HA       LYS  18  -9.228  10.667  -9.831
  149    HB2  LYS  18           HB2      LYS  18  -7.982   8.984 -11.960
  150    HB3  LYS  18           HB3      LYS  18  -9.659   9.479 -12.157
  151    HG2  LYS  18           HG2      LYS  18  -7.539  11.492 -11.524
  152    HG3  LYS  18           HG3      LYS  18  -7.796  10.933 -13.178
  153    HD2  LYS  18           HD2      LYS  18 -10.092  11.672 -13.118
  154    HD3  LYS  18           HD3      LYS  18  -9.943  12.106 -11.413
  155    HE2  LYS  18           HE2      LYS  18  -8.284  13.803 -11.987
  156    HE3  LYS  18           HE3      LYS  18  -8.404  13.357 -13.688
  157    HZ1  LYS  18           HZ1      LYS  18 -10.908  14.041 -12.395
  158    HZ2  LYS  18           HZ2      LYS  18 -10.331  14.459 -13.929
  159    HZ3  LYS  18           HZ3      LYS  18  -9.813  15.319 -12.567
  160    H    PHE  19           H        PHE  19  -8.566   7.302  -9.399
  161    HA   PHE  19           HA       PHE  19 -11.391   6.856  -8.771
  162    HB2  PHE  19           HB2      PHE  19  -9.728   5.252 -10.698
  163    HB3  PHE  19           HB3      PHE  19 -11.092   4.527  -9.853
  164    HD1  PHE  19           HD1      PHE  19 -10.123   7.221 -12.191
  165    HD2  PHE  19           HD2      PHE  19 -13.300   4.903 -10.563
  166    HE1  PHE  19           HE1      PHE  19 -11.650   8.121 -13.898
  167    HE2  PHE  19           HE2      PHE  19 -14.832   5.798 -12.267
  168    HZ   PHE  19           HZ       PHE  19 -14.007   7.409 -13.938
  169    H    TYR  20           H        TYR  20  -9.008   7.266  -7.148
  170    HA   TYR  20           HA       TYR  20  -7.964   4.879  -6.124
  171    HB2  TYR  20           HB2      TYR  20  -7.231   7.333  -5.719
  172    HB3  TYR  20           HB3      TYR  20  -8.405   7.308  -4.408
  173    HD1  TYR  20           HD2      TYR  20  -5.867   4.854  -5.648
  174    HD2  TYR  20           HD1      TYR  20  -7.352   7.122  -2.369
  175    HE1  TYR  20           HE2      TYR  20  -4.195   3.810  -4.176
  176    HE2  TYR  20           HE1      TYR  20  -5.684   6.086  -0.888
  177    HH   TYR  20           HH       TYR  20  -3.308   4.979  -1.284
  178    H    LYS  21           H        LYS  21 -10.858   6.704  -5.271
  179    HA   LYS  21           HA       LYS  21 -11.581   5.400  -2.930
  180    HB2  LYS  21           HB2      LYS  21 -13.361   6.505  -5.110
  181    HB3  LYS  21           HB3      LYS  21 -13.912   6.054  -3.502
  182    HG2  LYS  21           HG2      LYS  21 -11.812   8.143  -4.030
  183    HG3  LYS  21           HG3      LYS  21 -13.530   8.493  -3.830
  184    HD2  LYS  21           HD2      LYS  21 -13.406   7.358  -1.596
  185    HD3  LYS  21           HD3      LYS  21 -11.654   7.282  -1.804
  186    HE2  LYS  21           HE2      LYS  21 -13.267   9.828  -1.882
  187    HE3  LYS  21           HE3      LYS  21 -12.448   9.218  -0.445
  188    HZ1  LYS  21           HZ1      LYS  21 -11.109   9.903  -3.006
  189    HZ2  LYS  21           HZ2      LYS  21 -10.345   9.388  -1.587
  190    HZ3  LYS  21           HZ3      LYS  21 -11.132  10.885  -1.628
  191    H    GLN  22           H        GLN  22 -12.019   4.429  -6.281
  192    HA   GLN  22           HA       GLN  22 -13.558   2.087  -5.527
  193    HB2  GLN  22           HB2      GLN  22 -13.826   3.541  -7.674
  194    HB3  GLN  22           HB3      GLN  22 -12.480   2.585  -8.281
  195    HG2  GLN  22           HG2      GLN  22 -13.711   0.677  -8.421
  196    HG3  GLN  22           HG3      GLN  22 -14.786   1.141  -7.104
  197   HE21  GLN  22          HE21      GLN  22 -16.518   0.463  -8.475
  198   HE22  GLN  22          HE22      GLN  22 -17.111   1.514  -9.712
  199    H    ILE  23           H        ILE  23 -10.350   2.860  -6.796
  200    HA   ILE  23           HA       ILE  23  -9.445   0.246  -7.220
  201    HB   ILE  23           HB       ILE  23  -7.838   2.675  -6.417
  202   HG12  ILE  23          HG12      ILE  23  -7.905   1.620  -9.198
  203   HG13  ILE  23          HG13      ILE  23  -9.330   2.484  -8.631
  204   HG21  ILE  23          HG21      ILE  23  -6.556   0.683  -6.012
  205   HG22  ILE  23          HG22      ILE  23  -6.980   0.038  -7.597
  206   HG23  ILE  23          HG23      ILE  23  -5.948   1.462  -7.472
  207   HD11  ILE  23          HD11      ILE  23  -6.751   3.497  -9.450
  208   HD12  ILE  23          HD12      ILE  23  -8.289   4.338  -9.252
  209   HD13  ILE  23          HD13      ILE  23  -7.228   4.100  -7.863
  210    H    MET  24           H        MET  24  -8.692   2.367  -4.446
  211    HA   MET  24           HA       MET  24  -7.454   0.448  -2.867
  212    HB2  MET  24           HB2      MET  24  -7.702   1.948  -1.046
  213    HB3  MET  24           HB3      MET  24  -7.536   2.949  -2.482
  214    HG2  MET  24           HG2      MET  24 -10.162   2.853  -2.449
  215    HG3  MET  24           HG3      MET  24  -9.901   2.498  -0.743
  216    HE1  MET  24           HE1      MET  24  -7.808   4.189   0.533
  217    HE2  MET  24           HE2      MET  24  -8.695   5.688   0.810
  218    HE3  MET  24           HE3      MET  24  -9.508   4.134   0.998
  219    H    GLN  25           H        GLN  25 -10.823   0.985  -3.495
  220    HA   GLN  25           HA       GLN  25 -11.871  -0.398  -1.253
  221    HB2  GLN  25           HB2      GLN  25 -12.908   0.672  -3.797
  222    HB3  GLN  25           HB3      GLN  25 -13.803  -0.694  -3.146
  223    HG2  GLN  25           HG2      GLN  25 -13.151   1.764  -1.547
  224    HG3  GLN  25           HG3      GLN  25 -14.635   1.572  -2.479
  225   HE21  GLN  25          HE21      GLN  25 -16.171   0.064  -1.814
  226   HE22  GLN  25          HE22      GLN  25 -16.171  -0.599  -0.219
  227    H    PHE  26           H        PHE  26 -10.678  -1.408  -4.371
  228    HA   PHE  26           HA       PHE  26 -11.793  -4.028  -4.320
  229    HB2  PHE  26           HB2      PHE  26  -9.498  -2.832  -5.877
  230    HB3  PHE  26           HB3      PHE  26 -10.062  -4.484  -6.104
  231    HD1  PHE  26           HD2      PHE  26 -12.956  -4.200  -5.972
  232    HD2  PHE  26           HD1      PHE  26 -10.049  -1.687  -7.802
  233    HE1  PHE  26           HE2      PHE  26 -14.654  -3.400  -7.562
  234    HE2  PHE  26           HE1      PHE  26 -11.743  -0.882  -9.395
  235    HZ   PHE  26           HZ       PHE  26 -14.048  -1.740  -9.277
  236    H    ILE  27           H        ILE  27  -8.714  -2.636  -3.309
  237    HA   ILE  27           HA       ILE  27  -7.308  -4.984  -2.782
  238    HB   ILE  27           HB       ILE  27  -7.129  -2.399  -1.230
  239   HG12  ILE  27          HG12      ILE  27  -6.869  -1.978  -3.613
  240   HG13  ILE  27          HG13      ILE  27  -5.307  -1.838  -2.813
  241   HG21  ILE  27          HG21      ILE  27  -5.858  -4.866  -0.836
  242   HG22  ILE  27          HG22      ILE  27  -4.656  -3.810  -1.576
  243   HG23  ILE  27          HG23      ILE  27  -5.463  -3.319  -0.087
  244   HD11  ILE  27          HD11      ILE  27  -6.284  -3.887  -4.727
  245   HD12  ILE  27          HD12      ILE  27  -4.735  -3.045  -4.659
  246   HD13  ILE  27          HD13      ILE  27  -5.081  -4.350  -3.524
  247    H    GLY  28           H        GLY  28  -9.253  -3.015  -0.527
  248    HA2  GLY  28           HA2      GLY  28  -8.973  -4.680   1.705
  249    HA3  GLY  28           HA3      GLY  28 -10.304  -3.565   1.436
  250    H    GLN  29           H        GLN  29 -10.814  -5.136  -1.157
  251    HA   GLN  29           HA       GLN  29 -12.676  -6.993   0.056
  252    HB2  GLN  29           HB2      GLN  29 -13.545  -5.671  -1.736
  253    HB3  GLN  29           HB3      GLN  29 -12.209  -6.112  -2.791
  254    HG2  GLN  29           HG2      GLN  29 -14.200  -7.293  -3.446
  255    HG3  GLN  29           HG3      GLN  29 -13.009  -8.430  -2.815
  256   HE21  GLN  29          HE21      GLN  29 -16.022  -6.786  -2.179
  257   HE22  GLN  29          HE22      GLN  29 -16.559  -7.841  -0.921
  258    H    GLY  30           H        GLY  30  -9.658  -7.076  -1.677
  259    HA2  GLY  30           HA2      GLY  30  -8.205  -8.976  -1.414
  260    HA3  GLY  30           HA3      GLY  30  -9.629 -10.003  -1.347
  261    H    TRP  31           H        TRP  31  -9.318  -7.459  -3.711
  262    HA   TRP  31           HA       TRP  31  -9.595  -9.372  -5.845
  263    HB2  TRP  31           HB2      TRP  31  -9.632  -6.401  -5.611
  264    HB3  TRP  31           HB3      TRP  31  -9.266  -7.096  -7.188
  265    HD1  TRP  31           HD1      TRP  31 -11.763  -8.887  -4.941
  266    HE1  TRP  31           HE1      TRP  31 -14.109  -8.692  -5.981
  267    HE3  TRP  31           HE3      TRP  31 -10.720  -5.559  -8.679
  268    HZ2  TRP  31           HZ2      TRP  31 -15.353  -7.311  -8.106
  269    HZ3  TRP  31           HZ3      TRP  31 -12.543  -4.852 -10.172
  270    HH2  TRP  31           HH2      TRP  31 -14.811  -5.712  -9.890
  271    H    THR  32           H        THR  32  -8.087 -10.020  -7.296
  272    HA   THR  32           HA       THR  32  -5.358  -9.875  -6.604
  273    HB   THR  32           HB       THR  32  -4.898 -11.112  -8.590
  274    HG1  THR  32           HG1      THR  32  -6.798 -11.356 -10.114
  275   HG21  THR  32          HG21      THR  32  -6.273 -12.221  -6.776
  276   HG22  THR  32          HG22      THR  32  -6.355 -12.973  -8.369
  277   HG23  THR  32          HG23      THR  32  -7.681 -11.957  -7.804
  278    H    ILE  33           H        ILE  33  -3.645  -9.169  -8.214
  279    HA   ILE  33           HA       ILE  33  -3.866  -6.377  -8.624
  280    HB   ILE  33           HB       ILE  33  -1.803  -8.259  -9.775
  281   HG12  ILE  33          HG12      ILE  33  -0.609  -6.986  -7.674
  282   HG13  ILE  33          HG13      ILE  33  -2.248  -7.188  -7.066
  283   HG21  ILE  33          HG21      ILE  33  -1.868  -6.058 -10.852
  284   HG22  ILE  33          HG22      ILE  33  -1.688  -5.287  -9.277
  285   HG23  ILE  33          HG23      ILE  33  -0.387  -6.287  -9.923
  286   HD11  ILE  33          HD11      ILE  33  -1.386  -9.628  -8.264
  287   HD12  ILE  33          HD12      ILE  33  -0.170  -9.072  -7.113
  288   HD13  ILE  33          HD13      ILE  33  -1.839  -9.303  -6.591
  289    H    ASP  34           H        ASP  34  -4.491  -9.132 -10.636
  290    HA   ASP  34           HA       ASP  34  -4.486  -7.630 -13.103
  291    HB2  ASP  34           HB2      ASP  34  -5.171 -10.465 -12.367
  292    HB3  ASP  34           HB3      ASP  34  -5.551  -9.826 -13.964
  293    H    GLN  35           H        GLN  35  -6.763  -8.513 -10.649
  294    HA   GLN  35           HA       GLN  35  -9.163  -8.340 -12.063
  295    HB2  GLN  35           HB2      GLN  35  -8.422  -7.847  -9.197
  296    HB3  GLN  35           HB3      GLN  35 -10.062  -7.546  -9.755
  297    HG2  GLN  35           HG2      GLN  35  -8.766 -10.174 -10.311
  298    HG3  GLN  35           HG3      GLN  35  -9.436  -9.839  -8.715
  299   HE21  GLN  35          HE21      GLN  35 -10.459 -11.881 -10.144
  300   HE22  GLN  35          HE22      GLN  35 -12.041 -11.490 -10.715
  301    H    ILE  36           H        ILE  36  -7.341  -5.803 -10.370
  302    HA   ILE  36           HA       ILE  36  -9.165  -3.725 -11.074
  303    HB   ILE  36           HB       ILE  36  -6.297  -3.525 -10.148
  304   HG12  ILE  36          HG12      ILE  36  -7.751  -2.755  -8.028
  305   HG13  ILE  36          HG13      ILE  36  -8.899  -3.874  -8.753
  306   HG21  ILE  36          HG21      ILE  36  -6.527  -1.387 -10.771
  307   HG22  ILE  36          HG22      ILE  36  -8.276  -1.528 -10.942
  308   HG23  ILE  36          HG23      ILE  36  -7.565  -1.238  -9.354
  309   HD11  ILE  36          HD11      ILE  36  -7.656  -5.685  -8.246
  310   HD12  ILE  36          HD12      ILE  36  -6.126  -4.835  -8.463
  311   HD13  ILE  36          HD13      ILE  36  -7.054  -4.615  -6.981
  312    H    GLU  37           H        GLU  37  -5.903  -4.582 -12.226
  313    HA   GLU  37           HA       GLU  37  -5.594  -2.637 -14.159
  314    HB2  GLU  37           HB2      GLU  37  -4.572  -5.431 -13.872
  315    HB3  GLU  37           HB3      GLU  37  -4.278  -4.570 -15.377
  316    HG2  GLU  37           HG2      GLU  37  -3.607  -3.270 -12.779
  317    HG3  GLU  37           HG3      GLU  37  -2.531  -4.491 -13.455
  318    H    LYS  38           H        LYS  38  -7.529  -5.539 -14.241
  319    HA   LYS  38           HA       LYS  38  -8.131  -5.187 -17.075
  320    HB2  LYS  38           HB2      LYS  38  -7.708  -7.459 -16.153
  321    HB3  LYS  38           HB3      LYS  38  -9.138  -7.286 -15.145
  322    HG2  LYS  38           HG2      LYS  38  -9.736  -8.590 -17.038
  323    HG3  LYS  38           HG3      LYS  38 -10.480  -7.001 -17.230
  324    HD2  LYS  38           HD2      LYS  38  -8.969  -6.365 -18.894
  325    HD3  LYS  38           HD3      LYS  38  -7.810  -7.620 -18.449
  326    HE2  LYS  38           HE2      LYS  38  -8.909  -8.209 -20.523
  327    HE3  LYS  38           HE3      LYS  38  -9.390  -9.330 -19.250
  328    HZ1  LYS  38           HZ1      LYS  38 -11.377  -7.758 -18.973
  329    HZ2  LYS  38           HZ2      LYS  38 -11.372  -8.812 -20.295
  330    HZ3  LYS  38           HZ3      LYS  38 -10.970  -7.183 -20.511
  331    H    TRP  39           H        TRP  39  -9.494  -4.589 -13.950
  332    HA   TRP  39           HA       TRP  39 -12.213  -4.372 -14.731
  333    HB2  TRP  39           HB2      TRP  39 -11.664  -4.677 -12.401
  334    HB3  TRP  39           HB3      TRP  39 -10.705  -3.200 -12.387
  335    HD1  TRP  39           HD1      TRP  39 -14.254  -4.456 -12.050
  336    HE1  TRP  39           HE1      TRP  39 -15.799  -2.488 -11.446
  337    HE3  TRP  39           HE3      TRP  39 -10.978  -0.600 -12.779
  338    HZ2  TRP  39           HZ2      TRP  39 -15.649   0.327 -11.300
  339    HZ3  TRP  39           HZ3      TRP  39 -11.758   1.701 -12.386
  340    HH2  TRP  39           HH2      TRP  39 -14.046   2.152 -11.662
  341    H    LEU  40           H        LEU  40  -9.536  -2.088 -14.579
  342    HA   LEU  40           HA       LEU  40 -10.943   0.290 -14.946
  343    HB2  LEU  40           HB2      LEU  40  -8.319  -0.403 -14.695
  344    HB3  LEU  40           HB3      LEU  40  -8.390   0.115 -16.378
  345    HG   LEU  40           HG       LEU  40  -7.701   1.982 -15.077
  346   HD11  LEU  40          HD11      LEU  40  -9.896   2.028 -16.716
  347   HD12  LEU  40          HD12      LEU  40  -9.037   3.443 -16.109
  348   HD13  LEU  40          HD13      LEU  40 -10.475   2.859 -15.272
  349   HD21  LEU  40          HD21      LEU  40  -8.323   1.389 -12.880
  350   HD22  LEU  40          HD22      LEU  40 -10.031   1.283 -13.307
  351   HD23  LEU  40          HD23      LEU  40  -9.229   2.854 -13.256
  352    H    LYS  41           H        LYS  41  -9.473  -1.836 -17.395
  353    HA   LYS  41           HA       LYS  41 -10.760  -0.347 -19.530
  354    HB2  LYS  41           HB2      LYS  41  -8.831  -2.656 -19.459
  355    HB3  LYS  41           HB3      LYS  41  -9.624  -2.169 -20.952
  356    HG2  LYS  41           HG2      LYS  41  -8.126  -0.172 -19.306
  357    HG3  LYS  41           HG3      LYS  41  -7.277  -1.250 -20.416
  358    HD2  LYS  41           HD2      LYS  41  -9.650   0.229 -21.432
  359    HD3  LYS  41           HD3      LYS  41  -8.152   1.128 -21.182
  360    HE2  LYS  41           HE2      LYS  41  -7.850   0.447 -23.343
  361    HE3  LYS  41           HE3      LYS  41  -7.111  -0.908 -22.491
  362    HZ1  LYS  41           HZ1      LYS  41  -8.719  -2.303 -23.147
  363    HZ2  LYS  41           HZ2      LYS  41  -9.003  -1.162 -24.362
  364    HZ3  LYS  41           HZ3      LYS  41  -9.955  -1.162 -22.964
  365    H    ARG  42           H        ARG  42 -12.733  -1.291 -18.009
  366    HA   ARG  42           HA       ARG  42 -13.857  -3.460 -19.642
  367    HB2  ARG  42           HB2      ARG  42 -13.059  -4.054 -17.207
  368    HB3  ARG  42           HB3      ARG  42 -14.560  -3.266 -16.741
  369    HG2  ARG  42           HG2      ARG  42 -14.576  -5.411 -18.819
  370    HG3  ARG  42           HG3      ARG  42 -14.518  -5.825 -17.105
  371    HD2  ARG  42           HD2      ARG  42 -16.532  -4.308 -16.822
  372    HD3  ARG  42           HD3      ARG  42 -16.646  -4.298 -18.581
  373    HE   ARG  42           HE       ARG  42 -16.527  -6.948 -17.544
  374   HH11  ARG  42          HH11      ARG  42 -18.652  -4.237 -18.046
  375   HH12  ARG  42          HH12      ARG  42 -20.086  -5.206 -18.113
  376   HH21  ARG  42          HH21      ARG  42 -18.408  -8.235 -17.630
  377   HH22  ARG  42          HH22      ARG  42 -19.946  -7.480 -17.875
  378    H    HIS  43           H        HIS  43 -14.510  -0.781 -17.419
  379    HA   HIS  43           HA       HIS  43 -17.273  -0.613 -18.294
  380    HB2  HIS  43           HB2      HIS  43 -16.569  -0.213 -15.911
  381    HB3  HIS  43           HB3      HIS  43 -15.779   1.264 -16.454
  382    HD1  HIS  43           HD1      HIS  43 -19.117  -0.192 -15.709
  383    HD2  HIS  43           HD2      HIS  43 -17.535   3.355 -17.185
  384    HE1  HIS  43           HE1      HIS  43 -21.009   1.465 -15.649
  Start of MODEL    3
    1    HCN  FME   1           HF       FME   1   3.700   1.455  -2.189
    2    HA   FME   1           HA       FME   1   2.928  -1.649  -0.560
    3    HB2  FME   1           HB2      FME   1   2.534  -0.228   2.109
    4    HB3  FME   1           HB3      FME   1   4.098  -0.256   1.221
    5    HG2  FME   1           HG2      FME   1   2.680  -2.929   1.641
    6    HG3  FME   1           HG3      FME   1   3.465  -2.161   3.067
    7    HE1  FME   1           HE8      FME   1   5.470  -4.822   0.182
    8    HE2  FME   1           HE2      FME   1   3.894  -4.072  -0.300
    9    HE3  FME   1           HE3      FME   1   4.047  -4.928   1.296
   10    H    GLY   2           H        GLY   2   0.955  -1.512  -1.933
   11    HA2  GLY   2           HA2      GLY   2  -1.041  -2.963  -0.514
   12    HA3  GLY   2           HA3      GLY   2  -1.615  -1.353  -0.922
   13    H    ALA   3           H        ALA   3   0.566  -3.330  -2.861
   14    HA   ALA   3           HA       ALA   3   0.430  -4.027  -5.028
   15    HB1  ALA   3           HB1      ALA   3  -2.228  -4.786  -3.884
   16    HB2  ALA   3           HB2      ALA   3  -1.861  -5.101  -5.580
   17    HB3  ALA   3           HB3      ALA   3  -0.861  -5.813  -4.314
   18    H    ILE   4           H        ILE   4  -0.129  -1.225  -4.532
   19    HA   ILE   4           HA       ILE   4  -2.193  -0.560  -6.487
   20    HB   ILE   4           HB       ILE   4  -0.498   1.331  -4.857
   21   HG12  ILE   4          HG12      ILE   4  -1.818  -0.155  -3.401
   22   HG13  ILE   4          HG13      ILE   4  -2.407   1.502  -3.337
   23   HG21  ILE   4          HG21      ILE   4  -2.337   1.717  -6.991
   24   HG22  ILE   4          HG22      ILE   4  -3.046   2.373  -5.517
   25   HG23  ILE   4          HG23      ILE   4  -1.462   2.929  -6.055
   26   HD11  ILE   4          HD11      ILE   4  -3.633  -0.701  -4.977
   27   HD12  ILE   4          HD12      ILE   4  -4.214  -0.155  -3.403
   28   HD13  ILE   4          HD13      ILE   4  -4.249   0.940  -4.786
   29    H    ALA   5           H        ALA   5   1.248  -0.715  -6.163
   30    HA   ALA   5           HA       ALA   5   1.993   1.059  -8.222
   31    HB1  ALA   5           HB1      ALA   5   3.785  -1.198  -7.979
   32    HB2  ALA   5           HB2      ALA   5   4.055   0.503  -7.598
   33    HB3  ALA   5           HB3      ALA   5   3.318  -0.562  -6.401
   34    H    LYS   6           H        LYS   6   0.908  -2.263  -8.241
   35    HA   LYS   6           HA       LYS   6   1.720  -2.880 -10.893
   36    HB2  LYS   6           HB2      LYS   6  -0.363  -4.095  -9.076
   37    HB3  LYS   6           HB3      LYS   6   0.021  -4.741 -10.667
   38    HG2  LYS   6           HG2      LYS   6   1.327  -6.051  -9.315
   39    HG3  LYS   6           HG3      LYS   6   2.462  -4.774  -9.756
   40    HD2  LYS   6           HD2      LYS   6   2.134  -3.666  -7.662
   41    HD3  LYS   6           HD3      LYS   6   0.798  -4.741  -7.242
   42    HE2  LYS   6           HE2      LYS   6   2.263  -6.598  -7.002
   43    HE3  LYS   6           HE3      LYS   6   3.608  -5.712  -7.717
   44    HZ1  LYS   6           HZ1      LYS   6   2.927  -4.151  -5.631
   45    HZ2  LYS   6           HZ2      LYS   6   4.164  -5.303  -5.608
   46    HZ3  LYS   6           HZ3      LYS   6   2.633  -5.695  -5.006
   47    H    LEU   7           H        LEU   7  -1.198  -1.509  -9.484
   48    HA   LEU   7           HA       LEU   7  -2.638  -1.541 -11.981
   49    HB2  LEU   7           HB2      LEU   7  -3.409   0.109  -9.608
   50    HB3  LEU   7           HB3      LEU   7  -4.443  -0.663 -10.808
   51    HG   LEU   7           HG       LEU   7  -2.868  -2.167  -8.723
   52   HD11  LEU   7          HD11      LEU   7  -5.179  -2.488  -7.714
   53   HD12  LEU   7          HD12      LEU   7  -5.681  -1.115  -8.700
   54   HD13  LEU   7          HD13      LEU   7  -4.419  -0.913  -7.485
   55   HD21  LEU   7          HD21      LEU   7  -4.904  -3.766  -9.433
   56   HD22  LEU   7          HD22      LEU   7  -3.325  -3.798 -10.219
   57   HD23  LEU   7          HD23      LEU   7  -4.658  -2.905 -10.952
   58    H    VAL   8           H        VAL   8  -1.145   0.940  -9.920
   59    HA   VAL   8           HA       VAL   8  -1.751   3.139 -11.571
   60    HB   VAL   8           HB       VAL   8   0.544   2.800  -9.635
   61   HG11  VAL   8          HG11      VAL   8   1.278   4.731 -10.468
   62   HG12  VAL   8          HG12      VAL   8  -0.183   4.958 -11.431
   63   HG13  VAL   8          HG13      VAL   8  -0.147   5.476  -9.745
   64   HG21  VAL   8          HG21      VAL   8  -0.861   3.272  -7.952
   65   HG22  VAL   8          HG22      VAL   8  -1.728   4.488  -8.890
   66   HG23  VAL   8          HG23      VAL   8  -2.130   2.780  -9.073
   67    H    ALA   9           H        ALA   9   0.726   0.714 -11.728
   68    HA   ALA   9           HA       ALA   9   2.663   2.003 -13.258
   69    HB1  ALA   9           HB1      ALA   9   1.923  -0.775 -12.682
   70    HB2  ALA   9           HB2      ALA   9   2.775  -0.542 -14.209
   71    HB3  ALA   9           HB3      ALA   9   3.507   0.001 -12.699
   72    H    LYS  10           H        LYS  10  -0.492   0.901 -14.124
   73    HA   LYS  10           HA       LYS  10   0.089   1.428 -16.964
   74    HB2  LYS  10           HB2      LYS  10  -2.204  -0.187 -15.841
   75    HB3  LYS  10           HB3      LYS  10  -1.764  -0.015 -17.535
   76    HG2  LYS  10           HG2      LYS  10   0.535  -1.001 -16.603
   77    HG3  LYS  10           HG3      LYS  10  -0.575  -1.705 -15.425
   78    HD2  LYS  10           HD2      LYS  10  -1.246  -1.876 -18.326
   79    HD3  LYS  10           HD3      LYS  10  -0.013  -2.955 -17.669
   80    HE2  LYS  10           HE2      LYS  10  -2.611  -2.692 -16.233
   81    HE3  LYS  10           HE3      LYS  10  -2.552  -3.649 -17.713
   82    HZ1  LYS  10           HZ1      LYS  10  -0.981  -4.077 -15.234
   83    HZ2  LYS  10           HZ2      LYS  10  -0.674  -4.892 -16.683
   84    HZ3  LYS  10           HZ3      LYS  10  -2.156  -5.098 -15.895
   85    H    PHE  11           H        PHE  11  -1.978   2.158 -14.248
   86    HA   PHE  11           HA       PHE  11  -3.775   3.800 -15.809
   87    HB2  PHE  11           HB2      PHE  11  -3.525   3.402 -12.821
   88    HB3  PHE  11           HB3      PHE  11  -4.794   4.336 -13.607
   89    HD1  PHE  11           HD2      PHE  11  -5.461   2.641 -15.901
   90    HD2  PHE  11           HD1      PHE  11  -4.602   1.592 -11.867
   91    HE1  PHE  11           HE2      PHE  11  -6.809   0.599 -16.149
   92    HE2  PHE  11           HE1      PHE  11  -5.948  -0.453 -12.108
   93    HZ   PHE  11           HZ       PHE  11  -7.055  -0.951 -14.251
   94    H    GLY  12           H        GLY  12  -1.689   4.495 -12.993
   95    HA2  GLY  12           HA2      GLY  12   0.005   6.251 -13.192
   96    HA3  GLY  12           HA3      GLY  12  -1.126   7.126 -14.213
   97    H    TRP  13           H        TRP  13  -0.104   8.549 -12.240
   98    HA   TRP  13           HA       TRP  13  -1.461   8.375  -9.757
   99    HB2  TRP  13           HB2      TRP  13  -0.400  10.983 -10.765
  100    HB3  TRP  13           HB3      TRP  13  -0.301  10.282  -9.152
  101    HD1  TRP  13           HD1      TRP  13   1.871  11.071 -11.914
  102    HE1  TRP  13           HE1      TRP  13   4.023   9.659 -11.882
  103    HE3  TRP  13           HE3      TRP  13   0.418   7.453  -8.607
  104    HZ2  TRP  13           HZ2      TRP  13   4.978   7.321 -10.622
  105    HZ3  TRP  13           HZ3      TRP  13   2.010   5.664  -8.042
  106    HH2  TRP  13           HH2      TRP  13   4.242   5.601  -9.030
  107    HA   PRO  14           HA       PRO  14  -4.225  11.916 -11.579
  108    HB2  PRO  14           HB2      PRO  14  -4.177  12.222 -14.277
  109    HB3  PRO  14           HB3      PRO  14  -3.088  13.094 -13.192
  110    HG2  PRO  14           HG2      PRO  14  -2.574  10.631 -14.814
  111    HG3  PRO  14           HG3      PRO  14  -1.535  12.047 -14.571
  112    HD2  PRO  14           HD2      PRO  14  -1.175   9.727 -13.223
  113    HD3  PRO  14           HD3      PRO  14  -0.800  11.310 -12.514
  114    H    PHE  15           H        PHE  15  -3.802   8.768 -12.760
  115    HA   PHE  15           HA       PHE  15  -6.543   8.628 -13.798
  116    HB2  PHE  15           HB2      PHE  15  -4.375   7.677 -14.985
  117    HB3  PHE  15           HB3      PHE  15  -4.670   6.305 -13.921
  118    HD1  PHE  15           HD1      PHE  15  -6.758   5.013 -14.119
  119    HD2  PHE  15           HD2      PHE  15  -5.760   8.108 -16.865
  120    HE1  PHE  15           HE1      PHE  15  -8.430   4.143 -15.701
  121    HE2  PHE  15           HE2      PHE  15  -7.430   7.244 -18.451
  122    HZ   PHE  15           HZ       PHE  15  -8.768   5.260 -17.870
  123    H    ILE  16           H        ILE  16  -4.383   7.245 -11.384
  124    HA   ILE  16           HA       ILE  16  -6.318   5.390 -10.373
  125    HB   ILE  16           HB       ILE  16  -3.842   5.079 -10.163
  126   HG12  ILE  16          HG12      ILE  16  -4.205   4.694  -7.465
  127   HG13  ILE  16          HG13      ILE  16  -5.861   4.744  -8.060
  128   HG21  ILE  16          HG21      ILE  16  -3.405   7.462  -9.521
  129   HG22  ILE  16          HG22      ILE  16  -4.039   7.078  -7.922
  130   HG23  ILE  16          HG23      ILE  16  -2.594   6.261  -8.516
  131   HD11  ILE  16          HD11      ILE  16  -4.030   3.072  -9.625
  132   HD12  ILE  16          HD12      ILE  16  -4.335   2.526  -7.975
  133   HD13  ILE  16          HD13      ILE  16  -5.682   2.764  -9.088
  134    H    LYS  17           H        LYS  17  -5.407   8.683  -9.681
  135    HA   LYS  17           HA       LYS  17  -6.703   8.848  -7.143
  136    HB2  LYS  17           HB2      LYS  17  -6.240  11.177  -7.227
  137    HB3  LYS  17           HB3      LYS  17  -4.866  10.372  -7.973
  138    HG2  LYS  17           HG2      LYS  17  -5.803  10.883 -10.192
  139    HG3  LYS  17           HG3      LYS  17  -7.126  11.751  -9.409
  140    HD2  LYS  17           HD2      LYS  17  -4.199  12.423  -9.109
  141    HD3  LYS  17           HD3      LYS  17  -5.318  13.245 -10.199
  142    HE2  LYS  17           HE2      LYS  17  -5.495  14.651  -8.428
  143    HE3  LYS  17           HE3      LYS  17  -6.708  13.471  -7.934
  144    HZ1  LYS  17           HZ1      LYS  17  -5.445  12.755  -6.242
  145    HZ2  LYS  17           HZ2      LYS  17  -4.677  14.254  -6.393
  146    HZ3  LYS  17           HZ3      LYS  17  -3.995  12.879  -7.106
  147    H    LYS  18           H        LYS  18  -7.784   8.925 -10.389
  148    HA   LYS  18           HA       LYS  18 -10.093  10.529 -10.092
  149    HB2  LYS  18           HB2      LYS  18  -8.832   9.281 -12.192
  150    HB3  LYS  18           HB3      LYS  18 -10.307   8.336 -12.027
  151    HG2  LYS  18           HG2      LYS  18 -10.277  11.335 -12.248
  152    HG3  LYS  18           HG3      LYS  18 -10.433  10.250 -13.632
  153    HD2  LYS  18           HD2      LYS  18 -12.628  10.220 -13.267
  154    HD3  LYS  18           HD3      LYS  18 -12.311   9.351 -11.764
  155    HE2  LYS  18           HE2      LYS  18 -13.434  11.116 -10.888
  156    HE3  LYS  18           HE3      LYS  18 -11.824  11.833 -10.916
  157    HZ1  LYS  18           HZ1      LYS  18 -12.357  13.196 -12.634
  158    HZ2  LYS  18           HZ2      LYS  18 -13.895  13.054 -11.945
  159    HZ3  LYS  18           HZ3      LYS  18 -13.488  12.130 -13.302
  160    H    PHE  19           H        PHE  19  -9.416   7.160  -9.445
  161    HA   PHE  19           HA       PHE  19 -12.003   6.933  -8.112
  162    HB2  PHE  19           HB2      PHE  19 -11.019   4.897 -10.123
  163    HB3  PHE  19           HB3      PHE  19 -12.473   4.757  -9.141
  164    HD1  PHE  19           HD2      PHE  19 -14.319   6.452  -9.483
  165    HD2  PHE  19           HD1      PHE  19 -11.057   6.000 -12.179
  166    HE1  PHE  19           HE2      PHE  19 -15.612   7.599 -11.233
  167    HE2  PHE  19           HE1      PHE  19 -12.344   7.147 -13.934
  168    HZ   PHE  19           HZ       PHE  19 -14.625   7.947 -13.463
  169    H    TYR  20           H        TYR  20  -9.455   7.260  -6.995
  170    HA   TYR  20           HA       TYR  20  -8.165   4.872  -6.288
  171    HB2  TYR  20           HB2      TYR  20  -7.131   7.066  -5.969
  172    HB3  TYR  20           HB3      TYR  20  -8.339   7.476  -4.757
  173    HD1  TYR  20           HD1      TYR  20  -5.596   5.070  -5.484
  174    HD2  TYR  20           HD2      TYR  20  -7.975   6.959  -2.505
  175    HE1  TYR  20           HE1      TYR  20  -4.155   4.113  -3.736
  176    HE2  TYR  20           HE2      TYR  20  -6.540   6.009  -0.748
  177    HH   TYR  20           HH       TYR  20  -4.925   4.480  -0.317
  178    H    LYS  21           H        LYS  21 -10.811   6.642  -4.751
  179    HA   LYS  21           HA       LYS  21 -11.010   5.172  -2.392
  180    HB2  LYS  21           HB2      LYS  21 -12.234   7.291  -2.915
  181    HB3  LYS  21           HB3      LYS  21 -13.307   6.364  -3.955
  182    HG2  LYS  21           HG2      LYS  21 -14.259   5.221  -2.154
  183    HG3  LYS  21           HG3      LYS  21 -12.944   5.665  -1.064
  184    HD2  LYS  21           HD2      LYS  21 -14.560   7.135  -0.372
  185    HD3  LYS  21           HD3      LYS  21 -13.764   8.108  -1.610
  186    HE2  LYS  21           HE2      LYS  21 -16.015   8.363  -2.114
  187    HE3  LYS  21           HE3      LYS  21 -15.508   7.081  -3.213
  188    HZ1  LYS  21           HZ1      LYS  21 -17.502   7.006  -1.227
  189    HZ2  LYS  21           HZ2      LYS  21 -16.313   5.865  -0.847
  190    HZ3  LYS  21           HZ3      LYS  21 -17.085   5.813  -2.351
  191    H    GLN  22           H        GLN  22 -11.906   4.351  -5.633
  192    HA   GLN  22           HA       GLN  22 -13.494   2.065  -4.755
  193    HB2  GLN  22           HB2      GLN  22 -14.326   3.414  -6.632
  194    HB3  GLN  22           HB3      GLN  22 -12.862   3.061  -7.539
  195    HG2  GLN  22           HG2      GLN  22 -14.639   1.665  -8.331
  196    HG3  GLN  22           HG3      GLN  22 -13.448   0.669  -7.497
  197   HE21  GLN  22          HE21      GLN  22 -16.669   1.931  -7.451
  198   HE22  GLN  22          HE22      GLN  22 -17.256   0.960  -6.148
  199    H    ILE  23           H        ILE  23 -10.440   2.817  -6.328
  200    HA   ILE  23           HA       ILE  23  -9.768   0.136  -6.994
  201    HB   ILE  23           HB       ILE  23  -7.960   2.525  -6.608
  202   HG12  ILE  23          HG12      ILE  23  -8.560   1.467  -9.304
  203   HG13  ILE  23          HG13      ILE  23  -9.902   2.256  -8.482
  204   HG21  ILE  23          HG21      ILE  23  -6.662   0.522  -6.435
  205   HG22  ILE  23          HG22      ILE  23  -7.454  -0.173  -7.849
  206   HG23  ILE  23          HG23      ILE  23  -6.385   1.218  -8.032
  207   HD11  ILE  23          HD11      ILE  23  -7.503   3.394  -9.680
  208   HD12  ILE  23          HD12      ILE  23  -9.073   4.130  -9.352
  209   HD13  ILE  23          HD13      ILE  23  -7.864   4.021  -8.072
  210    H    MET  24           H        MET  24  -8.435   2.294  -4.479
  211    HA   MET  24           HA       MET  24  -6.926   0.383  -3.143
  212    HB2  MET  24           HB2      MET  24  -6.812   1.916  -1.320
  213    HB3  MET  24           HB3      MET  24  -6.864   2.875  -2.793
  214    HG2  MET  24           HG2      MET  24  -8.459   4.037  -1.770
  215    HG3  MET  24           HG3      MET  24  -9.507   2.674  -2.154
  216    HE1  MET  24           HE1      MET  24 -10.258   4.167   1.428
  217    HE2  MET  24           HE2      MET  24  -8.695   4.890   1.046
  218    HE3  MET  24           HE3      MET  24  -9.951   4.802  -0.189
  219    H    GLN  25           H        GLN  25 -10.344   0.947  -3.110
  220    HA   GLN  25           HA       GLN  25 -10.931  -0.379  -0.667
  221    HB2  GLN  25           HB2      GLN  25 -12.438   0.734  -2.927
  222    HB3  GLN  25           HB3      GLN  25 -13.206  -0.656  -2.172
  223    HG2  GLN  25           HG2      GLN  25 -12.285   1.794  -0.689
  224    HG3  GLN  25           HG3      GLN  25 -13.933   1.520  -1.250
  225   HE21  GLN  25          HE21      GLN  25 -14.344   1.824   1.084
  226   HE22  GLN  25          HE22      GLN  25 -14.264   0.436   2.109
  227    H    PHE  26           H        PHE  26 -10.284  -1.455  -3.894
  228    HA   PHE  26           HA       PHE  26 -11.466  -4.043  -3.627
  229    HB2  PHE  26           HB2      PHE  26  -9.481  -2.884  -5.582
  230    HB3  PHE  26           HB3      PHE  26 -10.043  -4.550  -5.673
  231    HD1  PHE  26           HD1      PHE  26 -12.865  -4.356  -5.082
  232    HD2  PHE  26           HD2      PHE  26 -10.393  -1.750  -7.365
  233    HE1  PHE  26           HE1      PHE  26 -14.831  -3.622  -6.367
  234    HE2  PHE  26           HE2      PHE  26 -12.354  -1.011  -8.653
  235    HZ   PHE  26           HZ       PHE  26 -14.577  -1.947  -8.154
  236    H    ILE  27           H        ILE  27  -8.203  -2.738  -3.252
  237    HA   ILE  27           HA       ILE  27  -6.809  -5.125  -2.914
  238    HB   ILE  27           HB       ILE  27  -6.265  -2.478  -1.563
  239   HG12  ILE  27          HG12      ILE  27  -6.361  -2.240  -3.983
  240   HG13  ILE  27          HG13      ILE  27  -4.690  -2.125  -3.442
  241   HG21  ILE  27          HG21      ILE  27  -5.023  -5.005  -1.255
  242   HG22  ILE  27          HG22      ILE  27  -3.911  -3.962  -2.140
  243   HG23  ILE  27          HG23      ILE  27  -4.537  -3.454  -0.571
  244   HD11  ILE  27          HD11      ILE  27  -4.957  -4.794  -3.978
  245   HD12  ILE  27          HD12      ILE  27  -5.954  -4.042  -5.225
  246   HD13  ILE  27          HD13      ILE  27  -4.258  -3.588  -5.058
  247    H    GLY  28           H        GLY  28  -8.307  -3.044  -0.437
  248    HA2  GLY  28           HA2      GLY  28  -7.638  -4.649   1.773
  249    HA3  GLY  28           HA3      GLY  28  -8.953  -3.485   1.720
  250    H    GLN  29           H        GLN  29 -10.002  -5.095  -0.678
  251    HA   GLN  29           HA       GLN  29 -11.698  -6.811   0.909
  252    HB2  GLN  29           HB2      GLN  29 -12.784  -5.541  -0.799
  253    HB3  GLN  29           HB3      GLN  29 -11.654  -6.104  -2.023
  254    HG2  GLN  29           HG2      GLN  29 -13.767  -7.216  -2.292
  255    HG3  GLN  29           HG3      GLN  29 -12.546  -8.378  -1.775
  256   HE21  GLN  29          HE21      GLN  29 -15.144  -6.314  -0.568
  257   HE22  GLN  29          HE22      GLN  29 -15.608  -7.353   0.731
  258    H    GLY  30           H        GLY  30  -8.984  -7.138  -1.237
  259    HA2  GLY  30           HA2      GLY  30  -7.618  -9.134  -1.008
  260    HA3  GLY  30           HA3      GLY  30  -9.101 -10.059  -0.831
  261    H    TRP  31           H        TRP  31  -9.085  -7.584  -3.214
  262    HA   TRP  31           HA       TRP  31  -9.477  -9.509  -5.304
  263    HB2  TRP  31           HB2      TRP  31  -9.559  -6.539  -5.081
  264    HB3  TRP  31           HB3      TRP  31  -9.320  -7.232  -6.682
  265    HD1  TRP  31           HD1      TRP  31 -11.567  -9.047  -4.195
  266    HE1  TRP  31           HE1      TRP  31 -13.999  -8.921  -5.027
  267    HE3  TRP  31           HE3      TRP  31 -10.931  -5.770  -8.067
  268    HZ2  TRP  31           HZ2      TRP  31 -15.456  -7.607  -7.057
  269    HZ3  TRP  31           HZ3      TRP  31 -12.894  -5.131  -9.405
  270    HH2  TRP  31           HH2      TRP  31 -15.109  -6.031  -8.909
  271    H    THR  32           H        THR  32  -8.111 -10.111  -6.916
  272    HA   THR  32           HA       THR  32  -5.326  -9.907  -6.480
  273    HB   THR  32           HB       THR  32  -5.148 -10.917  -8.797
  274    HG1  THR  32           HG1      THR  32  -7.932 -11.324  -8.669
  275   HG21  THR  32          HG21      THR  32  -6.020 -12.032  -6.365
  276   HG22  THR  32          HG22      THR  32  -5.242 -12.861  -7.713
  277   HG23  THR  32          HG23      THR  32  -7.001 -12.772  -7.629
  278    H    ILE  33           H        ILE  33  -3.943  -9.350  -8.599
  279    HA   ILE  33           HA       ILE  33  -4.141  -6.512  -8.872
  280    HB   ILE  33           HB       ILE  33  -2.337  -8.454 -10.319
  281   HG12  ILE  33          HG12      ILE  33  -0.737  -7.171  -8.568
  282   HG13  ILE  33          HG13      ILE  33  -2.242  -7.151  -7.656
  283   HG21  ILE  33          HG21      ILE  33  -2.554  -6.335 -11.503
  284   HG22  ILE  33          HG22      ILE  33  -2.148  -5.459 -10.028
  285   HG23  ILE  33          HG23      ILE  33  -0.948  -6.499 -10.795
  286   HD11  ILE  33          HD11      ILE  33  -2.022  -9.284  -7.107
  287   HD12  ILE  33          HD12      ILE  33  -1.728  -9.757  -8.781
  288   HD13  ILE  33          HD13      ILE  33  -0.391  -9.203  -7.773
  289    H    ASP  34           H        ASP  34  -4.665  -9.264 -11.039
  290    HA   ASP  34           HA       ASP  34  -5.221  -7.723 -13.349
  291    HB2  ASP  34           HB2      ASP  34  -6.038  -9.782 -14.321
  292    HB3  ASP  34           HB3      ASP  34  -4.587 -10.130 -13.385
  293    H    GLN  35           H        GLN  35  -7.112  -8.660 -10.602
  294    HA   GLN  35           HA       GLN  35  -9.695  -8.524 -11.601
  295    HB2  GLN  35           HB2      GLN  35  -8.451  -8.076  -8.939
  296    HB3  GLN  35           HB3      GLN  35 -10.099  -7.506  -9.163
  297    HG2  GLN  35           HG2      GLN  35  -9.441 -10.278  -9.999
  298    HG3  GLN  35           HG3      GLN  35  -9.579  -9.926  -8.278
  299   HE21  GLN  35          HE21      GLN  35 -11.443 -10.954  -7.827
  300   HE22  GLN  35          HE22      GLN  35 -12.970 -10.563  -8.533
  301    H    ILE  36           H        ILE  36  -7.748  -5.886 -10.210
  302    HA   ILE  36           HA       ILE  36  -9.692  -3.884 -10.823
  303    HB   ILE  36           HB       ILE  36  -6.769  -3.569 -10.127
  304   HG12  ILE  36          HG12      ILE  36  -8.074  -2.785  -7.920
  305   HG13  ILE  36          HG13      ILE  36  -9.244  -3.953  -8.523
  306   HG21  ILE  36          HG21      ILE  36  -7.056  -1.427 -10.646
  307   HG22  ILE  36          HG22      ILE  36  -8.776  -1.671 -10.945
  308   HG23  ILE  36          HG23      ILE  36  -8.205  -1.321  -9.313
  309   HD11  ILE  36          HD11      ILE  36  -8.043  -5.606  -7.693
  310   HD12  ILE  36          HD12      ILE  36  -6.648  -5.109  -8.651
  311   HD13  ILE  36          HD13      ILE  36  -6.901  -4.431  -7.043
  312    H    GLU  37           H        GLU  37  -6.531  -4.741 -12.220
  313    HA   GLU  37           HA       GLU  37  -6.387  -2.835 -14.210
  314    HB2  GLU  37           HB2      GLU  37  -5.473  -5.715 -14.320
  315    HB3  GLU  37           HB3      GLU  37  -4.972  -4.460 -15.445
  316    HG2  GLU  37           HG2      GLU  37  -4.538  -4.189 -12.493
  317    HG3  GLU  37           HG3      GLU  37  -3.399  -5.050 -13.527
  318    H    LYS  38           H        LYS  38  -8.340  -5.717 -14.058
  319    HA   LYS  38           HA       LYS  38  -9.186  -5.408 -16.838
  320    HB2  LYS  38           HB2      LYS  38  -8.645  -7.668 -15.910
  321    HB3  LYS  38           HB3      LYS  38 -10.021  -7.504 -14.827
  322    HG2  LYS  38           HG2      LYS  38 -10.846  -8.779 -16.580
  323    HG3  LYS  38           HG3      LYS  38 -11.405  -7.147 -16.957
  324    HD2  LYS  38           HD2      LYS  38 -10.579  -7.898 -18.995
  325    HD3  LYS  38           HD3      LYS  38  -9.226  -6.973 -18.339
  326    HE2  LYS  38           HE2      LYS  38  -7.988  -8.861 -17.876
  327    HE3  LYS  38           HE3      LYS  38  -9.411  -9.895 -17.766
  328    HZ1  LYS  38           HZ1      LYS  38  -9.090  -8.774 -20.374
  329    HZ2  LYS  38           HZ2      LYS  38  -9.274 -10.391 -19.913
  330    HZ3  LYS  38           HZ3      LYS  38  -7.739  -9.681 -19.911
  331    H    TRP  39           H        TRP  39 -10.293  -4.878 -13.588
  332    HA   TRP  39           HA       TRP  39 -13.063  -4.642 -14.174
  333    HB2  TRP  39           HB2      TRP  39 -12.375  -5.055 -11.903
  334    HB3  TRP  39           HB3      TRP  39 -11.397  -3.591 -11.882
  335    HD1  TRP  39           HD1      TRP  39 -14.960  -4.812 -11.444
  336    HE1  TRP  39           HE1      TRP  39 -16.424  -2.862 -10.620
  337    HE3  TRP  39           HE3      TRP  39 -11.621  -0.986 -12.032
  338    HZ2  TRP  39           HZ2      TRP  39 -16.195  -0.071 -10.267
  339    HZ3  TRP  39           HZ3      TRP  39 -12.322   1.294 -11.428
  340    HH2  TRP  39           HH2      TRP  39 -14.562   1.740 -10.565
  341    H    LEU  40           H        LEU  40 -10.363  -2.400 -14.188
  342    HA   LEU  40           HA       LEU  40 -12.139  -0.161 -14.791
  343    HB2  LEU  40           HB2      LEU  40 -10.447   0.329 -13.189
  344    HB3  LEU  40           HB3      LEU  40  -9.189  -0.346 -14.224
  345    HG   LEU  40           HG       LEU  40  -9.351   1.514 -15.733
  346   HD11  LEU  40          HD11      LEU  40 -11.778   1.840 -15.603
  347   HD12  LEU  40          HD12      LEU  40 -10.897   3.352 -15.388
  348   HD13  LEU  40          HD13      LEU  40 -11.593   2.530 -13.991
  349   HD21  LEU  40          HD21      LEU  40  -7.988   2.644 -14.400
  350   HD22  LEU  40          HD22      LEU  40  -8.593   1.728 -13.019
  351   HD23  LEU  40          HD23      LEU  40  -9.360   3.251 -13.473
  352    H    LYS  41           H        LYS  41  -9.583  -2.098 -16.249
  353    HA   LYS  41           HA       LYS  41  -8.790  -2.250 -18.380
  354    HB2  LYS  41           HB2      LYS  41 -11.717  -1.729 -18.714
  355    HB3  LYS  41           HB3      LYS  41 -10.690  -1.786 -20.141
  356    HG2  LYS  41           HG2      LYS  41 -10.465  -4.011 -18.195
  357    HG3  LYS  41           HG3      LYS  41 -11.916  -3.930 -19.197
  358    HD2  LYS  41           HD2      LYS  41  -9.195  -3.677 -20.426
  359    HD3  LYS  41           HD3      LYS  41  -9.867  -5.265 -20.051
  360    HE2  LYS  41           HE2      LYS  41 -11.572  -3.339 -21.539
  361    HE3  LYS  41           HE3      LYS  41 -10.238  -4.101 -22.403
  362    HZ1  LYS  41           HZ1      LYS  41 -12.726  -5.171 -21.943
  363    HZ2  LYS  41           HZ2      LYS  41 -11.703  -6.007 -20.886
  364    HZ3  LYS  41           HZ3      LYS  41 -11.371  -5.987 -22.544
  365    H    ARG  42           H        ARG  42  -8.524   0.332 -17.040
  366    HA   ARG  42           HA       ARG  42  -7.838   2.457 -17.475
  367    HB2  ARG  42           HB2      ARG  42  -7.300   1.094 -20.101
  368    HB3  ARG  42           HB3      ARG  42  -6.957   2.805 -19.880
  369    HG2  ARG  42           HG2      ARG  42  -5.507   2.202 -17.952
  370    HG3  ARG  42           HG3      ARG  42  -5.765   0.503 -18.353
  371    HD2  ARG  42           HD2      ARG  42  -4.794   2.388 -20.456
  372    HD3  ARG  42           HD3      ARG  42  -3.663   1.771 -19.252
  373    HE   ARG  42           HE       ARG  42  -5.160  -0.338 -20.422
  374   HH11  ARG  42          HH11      ARG  42  -2.519   1.847 -21.029
  375   HH12  ARG  42          HH12      ARG  42  -1.724   0.784 -22.143
  376   HH21  ARG  42          HH21      ARG  42  -4.124  -1.746 -21.887
  377   HH22  ARG  42          HH22      ARG  42  -2.639  -1.259 -22.631
  378    H    HIS  43           H        HIS  43 -10.548   2.206 -17.450
  379    HA   HIS  43           HA       HIS  43 -12.005   3.004 -19.655
  380    HB2  HIS  43           HB2      HIS  43 -13.017   2.322 -17.516
  381    HB3  HIS  43           HB3      HIS  43 -12.461   3.821 -16.777
  382    HD1  HIS  43           HD1      HIS  43 -14.674   2.786 -19.698
  383    HD2  HIS  43           HD2      HIS  43 -14.327   5.773 -16.831
  384    HE1  HIS  43           HE1      HIS  43 -16.684   4.263 -20.020
  Start of MODEL    4
    1    HCN  FME   1           HF       FME   1  -3.434  -2.371   0.395
    2    HA   FME   1           HA       FME   1  -0.424  -0.211   0.533
    3    HB2  FME   1           HB2      FME   1   1.167  -0.270   2.620
    4    HB3  FME   1           HB3      FME   1  -0.285  -0.914   3.463
    5    HG2  FME   1           HG2      FME   1  -0.355   1.711   1.827
    6    HG3  FME   1           HG3      FME   1   0.051   1.663   3.581
    7    HE1  FME   1           HE8      FME   1  -3.082   0.193   5.296
    8    HE2  FME   1           HE2      FME   1  -1.827   1.478   5.529
    9    HE3  FME   1           HE3      FME   1  -1.333  -0.204   5.048
   10    H    GLY   2           H        GLY   2   0.254  -1.301  -1.097
   11    HA2  GLY   2           HA2      GLY   2   2.639  -2.361  -1.327
   12    HA3  GLY   2           HA3      GLY   2   1.805  -3.745  -0.636
   13    H    ALA   3           H        ALA   3  -0.689  -2.903  -2.116
   14    HA   ALA   3           HA       ALA   3   0.090  -4.061  -4.707
   15    HB1  ALA   3           HB1      ALA   3  -2.722  -3.998  -3.680
   16    HB2  ALA   3           HB2      ALA   3  -1.984  -5.100  -4.843
   17    HB3  ALA   3           HB3      ALA   3  -1.584  -5.228  -3.130
   18    H    ILE   4           H        ILE   4   0.478  -1.321  -4.321
   19    HA   ILE   4           HA       ILE   4  -1.740  -0.077  -5.794
   20    HB   ILE   4           HB       ILE   4   0.555   1.335  -4.439
   21   HG12  ILE   4          HG12      ILE   4  -0.784   0.045  -2.806
   22   HG13  ILE   4          HG13      ILE   4  -0.959   1.782  -2.584
   23   HG21  ILE   4          HG21      ILE   4  -1.539   2.183  -6.180
   24   HG22  ILE   4          HG22      ILE   4  -1.781   2.908  -4.592
   25   HG23  ILE   4          HG23      ILE   4  -0.255   3.140  -5.443
   26   HD11  ILE   4          HD11      ILE   4  -2.927   0.047  -4.052
   27   HD12  ILE   4          HD12      ILE   4  -3.074   0.533  -2.363
   28   HD13  ILE   4          HD13      ILE   4  -3.112   1.751  -3.637
   29    H    ALA   5           H        ALA   5   1.813  -0.249  -5.747
   30    HA   ALA   5           HA       ALA   5   2.278   1.138  -8.130
   31    HB1  ALA   5           HB1      ALA   5   3.974  -1.125  -7.101
   32    HB2  ALA   5           HB2      ALA   5   4.481   0.261  -8.067
   33    HB3  ALA   5           HB3      ALA   5   3.979   0.490  -6.392
   34    H    LYS   6           H        LYS   6   1.161  -2.088  -7.562
   35    HA   LYS   6           HA       LYS   6   1.888  -3.315  -9.973
   36    HB2  LYS   6           HB2      LYS   6  -0.668  -3.850  -8.461
   37    HB3  LYS   6           HB3      LYS   6   0.237  -4.968  -9.473
   38    HG2  LYS   6           HG2      LYS   6   2.138  -4.631  -7.772
   39    HG3  LYS   6           HG3      LYS   6   0.877  -3.976  -6.725
   40    HD2  LYS   6           HD2      LYS   6  -0.386  -6.174  -7.370
   41    HD3  LYS   6           HD3      LYS   6   1.234  -6.755  -7.762
   42    HE2  LYS   6           HE2      LYS   6   1.778  -5.747  -5.379
   43    HE3  LYS   6           HE3      LYS   6   0.054  -6.020  -5.131
   44    HZ1  LYS   6           HZ1      LYS   6   2.167  -7.895  -5.107
   45    HZ2  LYS   6           HZ2      LYS   6   1.056  -8.316  -6.311
   46    HZ3  LYS   6           HZ3      LYS   6   0.538  -8.125  -4.711
   47    H    LEU   7           H        LEU   7  -1.044  -1.508  -9.102
   48    HA   LEU   7           HA       LEU   7  -2.041  -1.677 -11.822
   49    HB2  LEU   7           HB2      LEU   7  -3.235   0.005  -9.651
   50    HB3  LEU   7           HB3      LEU   7  -4.031  -0.755 -11.027
   51    HG   LEU   7           HG       LEU   7  -2.882  -2.306  -8.714
   52   HD11  LEU   7          HD11      LEU   7  -5.709  -2.337  -8.699
   53   HD12  LEU   7          HD12      LEU   7  -5.195  -0.651  -8.755
   54   HD13  LEU   7          HD13      LEU   7  -4.612  -1.708  -7.469
   55   HD21  LEU   7          HD21      LEU   7  -4.779  -3.865  -9.714
   56   HD22  LEU   7          HD22      LEU   7  -3.135  -3.866 -10.354
   57   HD23  LEU   7          HD23      LEU   7  -4.403  -2.957 -11.178
   58    H    VAL   8           H        VAL   8  -0.577   0.682  -9.672
   59    HA   VAL   8           HA       VAL   8  -1.028   2.965 -11.283
   60    HB   VAL   8           HB       VAL   8   1.148   2.459  -9.248
   61   HG11  VAL   8          HG11      VAL   8   0.624   4.695 -11.025
   62   HG12  VAL   8          HG12      VAL   8   0.630   5.170  -9.325
   63   HG13  VAL   8          HG13      VAL   8   2.032   4.356 -10.019
   64   HG21  VAL   8          HG21      VAL   8  -0.265   3.184  -7.613
   65   HG22  VAL   8          HG22      VAL   8  -1.202   4.194  -8.714
   66   HG23  VAL   8          HG23      VAL   8  -1.448   2.448  -8.696
   67    H    ALA   9           H        ALA   9   1.303   0.403 -11.397
   68    HA   ALA   9           HA       ALA   9   3.378   1.626 -12.809
   69    HB1  ALA   9           HB1      ALA   9   2.490  -1.119 -12.296
   70    HB2  ALA   9           HB2      ALA   9   3.409  -0.913 -13.788
   71    HB3  ALA   9           HB3      ALA   9   4.108  -0.418 -12.247
   72    H    LYS  10           H        LYS  10   0.207   0.756 -13.814
   73    HA   LYS  10           HA       LYS  10   0.941   1.265 -16.623
   74    HB2  LYS  10           HB2      LYS  10  -1.488  -0.243 -15.648
   75    HB3  LYS  10           HB3      LYS  10  -0.924  -0.095 -17.307
   76    HG2  LYS  10           HG2      LYS  10   1.155  -1.311 -16.604
   77    HG3  LYS  10           HG3      LYS  10   0.362  -1.620 -15.058
   78    HD2  LYS  10           HD2      LYS  10  -1.574  -2.495 -16.631
   79    HD3  LYS  10           HD3      LYS  10  -0.235  -2.717 -17.760
   80    HE2  LYS  10           HE2      LYS  10  -0.358  -3.829 -14.958
   81    HE3  LYS  10           HE3      LYS  10  -0.702  -4.739 -16.429
   82    HZ1  LYS  10           HZ1      LYS  10   1.448  -5.192 -16.548
   83    HZ2  LYS  10           HZ2      LYS  10   1.796  -4.188 -15.231
   84    HZ3  LYS  10           HZ3      LYS  10   1.771  -3.550 -16.798
   85    H    PHE  11           H        PHE  11  -1.136   2.107 -13.966
   86    HA   PHE  11           HA       PHE  11  -2.801   3.844 -15.586
   87    HB2  PHE  11           HB2      PHE  11  -2.727   3.309 -12.612
   88    HB3  PHE  11           HB3      PHE  11  -3.866   4.406 -13.386
   89    HD1  PHE  11           HD2      PHE  11  -4.547   2.893 -15.821
   90    HD2  PHE  11           HD1      PHE  11  -4.052   1.588 -11.800
   91    HE1  PHE  11           HE2      PHE  11  -6.071   1.010 -16.248
   92    HE2  PHE  11           HE1      PHE  11  -5.574  -0.299 -12.221
   93    HZ   PHE  11           HZ       PHE  11  -6.587  -0.589 -14.447
   94    H    GLY  12           H        GLY  12  -0.787   4.346 -12.678
   95    HA2  GLY  12           HA2      GLY  12   0.995   6.026 -12.774
   96    HA3  GLY  12           HA3      GLY  12  -0.074   6.993 -13.779
   97    H    TRP  13           H        TRP  13   0.984   8.268 -11.714
   98    HA   TRP  13           HA       TRP  13  -0.450   8.060  -9.278
   99    HB2  TRP  13           HB2      TRP  13   0.782  10.647 -10.126
  100    HB3  TRP  13           HB3      TRP  13   0.805   9.858  -8.551
  101    HD1  TRP  13           HD1      TRP  13   3.072  10.655 -11.243
  102    HE1  TRP  13           HE1      TRP  13   5.144   9.129 -11.235
  103    HE3  TRP  13           HE3      TRP  13   1.367   6.986  -8.117
  104    HZ2  TRP  13           HZ2      TRP  13   5.950   6.692 -10.060
  105    HZ3  TRP  13           HZ3      TRP  13   2.851   5.092  -7.602
  106    HH2  TRP  13           HH2      TRP  13   5.094   4.949  -8.555
  107    HA   PRO  14           HA       PRO  14  -2.952  11.839 -10.998
  108    HB2  PRO  14           HB2      PRO  14  -2.805  12.271 -13.674
  109    HB3  PRO  14           HB3      PRO  14  -1.701  13.024 -12.517
  110    HG2  PRO  14           HG2      PRO  14  -1.280  10.617 -14.246
  111    HG3  PRO  14           HG3      PRO  14  -0.170  11.956 -13.904
  112    HD2  PRO  14           HD2      PRO  14   0.017   9.556 -12.664
  113    HD3  PRO  14           HD3      PRO  14   0.460  11.079 -11.867
  114    H    PHE  15           H        PHE  15  -2.659   8.742 -12.371
  115    HA   PHE  15           HA       PHE  15  -5.364   8.809 -13.495
  116    HB2  PHE  15           HB2      PHE  15  -3.212   7.758 -14.620
  117    HB3  PHE  15           HB3      PHE  15  -3.637   6.375 -13.618
  118    HD1  PHE  15           HD2      PHE  15  -5.731   5.171 -13.985
  119    HD2  PHE  15           HD1      PHE  15  -4.542   8.390 -16.503
  120    HE1  PHE  15           HE2      PHE  15  -7.381   4.461 -15.667
  121    HE2  PHE  15           HE1      PHE  15  -6.191   7.686 -18.188
  122    HZ   PHE  15           HZ       PHE  15  -7.612   5.718 -17.772
  123    H    ILE  16           H        ILE  16  -3.387   7.002 -11.171
  124    HA   ILE  16           HA       ILE  16  -5.440   5.278 -10.287
  125    HB   ILE  16           HB       ILE  16  -2.990   4.927  -9.895
  126   HG12  ILE  16          HG12      ILE  16  -3.565   4.453  -7.252
  127   HG13  ILE  16          HG13      ILE  16  -5.172   4.556  -7.964
  128   HG21  ILE  16          HG21      ILE  16  -2.513   7.244  -9.160
  129   HG22  ILE  16          HG22      ILE  16  -3.374   6.910  -7.658
  130   HG23  ILE  16          HG23      ILE  16  -1.902   6.021  -8.046
  131   HD11  ILE  16          HD11      ILE  16  -3.554   2.335  -7.894
  132   HD12  ILE  16          HD12      ILE  16  -4.974   2.561  -8.915
  133   HD13  ILE  16          HD13      ILE  16  -3.369   2.928  -9.544
  134    H    LYS  17           H        LYS  17  -4.549   8.538  -9.434
  135    HA   LYS  17           HA       LYS  17  -6.069   8.635  -7.010
  136    HB2  LYS  17           HB2      LYS  17  -5.510  10.939  -6.927
  137    HB3  LYS  17           HB3      LYS  17  -4.101  10.118  -7.586
  138    HG2  LYS  17           HG2      LYS  17  -4.776  10.786  -9.844
  139    HG3  LYS  17           HG3      LYS  17  -6.171  11.630  -9.168
  140    HD2  LYS  17           HD2      LYS  17  -3.303  12.244  -8.465
  141    HD3  LYS  17           HD3      LYS  17  -4.240  13.117  -9.680
  142    HE2  LYS  17           HE2      LYS  17  -4.947  12.872  -6.757
  143    HE3  LYS  17           HE3      LYS  17  -4.209  14.282  -7.516
  144    HZ1  LYS  17           HZ1      LYS  17  -6.910  13.174  -8.048
  145    HZ2  LYS  17           HZ2      LYS  17  -6.199  14.399  -8.972
  146    HZ3  LYS  17           HZ3      LYS  17  -6.537  14.662  -7.335
  147    H    LYS  18           H        LYS  18  -6.821   8.854 -10.330
  148    HA   LYS  18           HA       LYS  18  -9.123  10.524 -10.136
  149    HB2  LYS  18           HB2      LYS  18  -7.852  10.109 -12.245
  150    HB3  LYS  18           HB3      LYS  18  -8.475   8.464 -12.252
  151    HG2  LYS  18           HG2      LYS  18 -10.735   9.278 -12.483
  152    HG3  LYS  18           HG3      LYS  18 -10.176  10.947 -12.355
  153    HD2  LYS  18           HD2      LYS  18  -9.114   9.124 -14.486
  154    HD3  LYS  18           HD3      LYS  18 -10.647   9.973 -14.699
  155    HE2  LYS  18           HE2      LYS  18  -8.128  11.410 -13.919
  156    HE3  LYS  18           HE3      LYS  18  -8.533  11.092 -15.605
  157    HZ1  LYS  18           HZ1      LYS  18  -9.607  13.032 -15.460
  158    HZ2  LYS  18           HZ2      LYS  18  -9.666  13.009 -13.770
  159    HZ3  LYS  18           HZ3      LYS  18 -10.816  12.153 -14.667
  160    H    PHE  19           H        PHE  19  -8.501   7.164  -9.583
  161    HA   PHE  19           HA       PHE  19 -11.278   6.806  -8.760
  162    HB2  PHE  19           HB2      PHE  19  -9.876   5.209 -10.877
  163    HB3  PHE  19           HB3      PHE  19 -11.104   4.447  -9.871
  164    HD1  PHE  19           HD2      PHE  19 -10.470   7.033 -12.398
  165    HD2  PHE  19           HD1      PHE  19 -13.420   4.961 -10.135
  166    HE1  PHE  19           HE2      PHE  19 -12.226   7.937 -13.866
  167    HE2  PHE  19           HE1      PHE  19 -15.180   5.861 -11.600
  168    HZ   PHE  19           HZ       PHE  19 -14.585   7.352 -13.467
  169    H    TYR  20           H        TYR  20  -8.857   7.144  -7.274
  170    HA   TYR  20           HA       TYR  20  -7.798   4.687  -6.375
  171    HB2  TYR  20           HB2      TYR  20  -6.859   7.064  -6.063
  172    HB3  TYR  20           HB3      TYR  20  -7.947   7.174  -4.684
  173    HD1  TYR  20           HD2      TYR  20  -5.644   4.534  -6.001
  174    HD2  TYR  20           HD1      TYR  20  -6.833   6.922  -2.687
  175    HE1  TYR  20           HE2      TYR  20  -3.969   3.407  -4.596
  176    HE2  TYR  20           HE1      TYR  20  -5.161   5.803  -1.273
  177    HH   TYR  20           HH       TYR  20  -3.803   3.951  -1.142
  178    H    LYS  21           H        LYS  21 -10.622   6.530  -5.480
  179    HA   LYS  21           HA       LYS  21 -11.204   5.462  -2.986
  180    HB2  LYS  21           HB2      LYS  21 -12.409   7.310  -4.343
  181    HB3  LYS  21           HB3      LYS  21 -13.352   5.989  -5.021
  182    HG2  LYS  21           HG2      LYS  21 -14.329   5.473  -2.969
  183    HG3  LYS  21           HG3      LYS  21 -13.099   6.353  -2.058
  184    HD2  LYS  21           HD2      LYS  21 -14.006   8.430  -2.612
  185    HD3  LYS  21           HD3      LYS  21 -14.908   7.776  -3.981
  186    HE2  LYS  21           HE2      LYS  21 -16.455   8.257  -2.216
  187    HE3  LYS  21           HE3      LYS  21 -16.312   6.507  -2.367
  188    HZ1  LYS  21           HZ1      LYS  21 -16.053   6.647  -0.150
  189    HZ2  LYS  21           HZ2      LYS  21 -15.515   8.250  -0.185
  190    HZ3  LYS  21           HZ3      LYS  21 -14.444   6.991  -0.544
  191    H    GLN  22           H        GLN  22 -11.932   4.182  -6.204
  192    HA   GLN  22           HA       GLN  22 -13.260   1.857  -5.110
  193    HB2  GLN  22           HB2      GLN  22 -12.478   2.508  -7.956
  194    HB3  GLN  22           HB3      GLN  22 -13.497   1.164  -7.459
  195    HG2  GLN  22           HG2      GLN  22 -14.101   4.094  -7.422
  196    HG3  GLN  22           HG3      GLN  22 -14.992   2.784  -8.196
  197   HE21  GLN  22          HE21      GLN  22 -15.461   0.994  -6.349
  198   HE22  GLN  22          HE22      GLN  22 -16.329   1.647  -5.006
  199    H    ILE  23           H        ILE  23 -10.244   2.553  -6.846
  200    HA   ILE  23           HA       ILE  23  -9.241  -0.005  -7.107
  201    HB   ILE  23           HB       ILE  23  -7.679   2.505  -6.486
  202   HG12  ILE  23          HG12      ILE  23  -7.925   1.297  -9.209
  203   HG13  ILE  23          HG13      ILE  23  -9.264   2.254  -8.587
  204   HG21  ILE  23          HG21      ILE  23  -6.297   0.593  -6.068
  205   HG22  ILE  23          HG22      ILE  23  -6.798  -0.159  -7.582
  206   HG23  ILE  23          HG23      ILE  23  -5.809   1.301  -7.607
  207   HD11  ILE  23          HD11      ILE  23  -6.739   3.106  -9.680
  208   HD12  ILE  23          HD12      ILE  23  -8.205   4.035  -9.363
  209   HD13  ILE  23          HD13      ILE  23  -7.017   3.796  -8.081
  210    H    MET  24           H        MET  24  -8.335   2.247  -4.486
  211    HA   MET  24           HA       MET  24  -6.996   0.413  -2.898
  212    HB2  MET  24           HB2      MET  24  -7.134   1.995  -1.142
  213    HB3  MET  24           HB3      MET  24  -7.091   2.933  -2.628
  214    HG2  MET  24           HG2      MET  24  -9.691   2.837  -2.417
  215    HG3  MET  24           HG3      MET  24  -9.337   2.497  -0.725
  216    HE1  MET  24           HE1      MET  24  -7.818   4.705   0.876
  217    HE2  MET  24           HE2      MET  24  -9.273   5.696   0.771
  218    HE3  MET  24           HE3      MET  24  -9.405   3.937   0.816
  219    H    GLN  25           H        GLN  25 -10.409   0.927  -3.307
  220    HA   GLN  25           HA       GLN  25 -11.206  -0.503  -0.955
  221    HB2  GLN  25           HB2      GLN  25 -12.576   0.707  -3.300
  222    HB3  GLN  25           HB3      GLN  25 -13.432  -0.561  -2.434
  223    HG2  GLN  25           HG2      GLN  25 -13.175   0.711  -0.350
  224    HG3  GLN  25           HG3      GLN  25 -12.370   1.994  -1.251
  225   HE21  GLN  25          HE21      GLN  25 -14.198   3.180  -0.190
  226   HE22  GLN  25          HE22      GLN  25 -15.679   3.292  -1.072
  227    H    PHE  26           H        PHE  26 -10.506  -1.318  -4.269
  228    HA   PHE  26           HA       PHE  26 -11.735  -3.900  -4.208
  229    HB2  PHE  26           HB2      PHE  26  -9.734  -2.633  -6.080
  230    HB3  PHE  26           HB3      PHE  26 -10.363  -4.261  -6.307
  231    HD1  PHE  26           HD1      PHE  26 -13.175  -3.974  -5.630
  232    HD2  PHE  26           HD2      PHE  26 -10.609  -1.349  -7.785
  233    HE1  PHE  26           HE1      PHE  26 -15.121  -3.057  -6.824
  234    HE2  PHE  26           HE2      PHE  26 -12.551  -0.427  -8.981
  235    HZ   PHE  26           HZ       PHE  26 -14.811  -1.280  -8.500
  236    H    ILE  27           H        ILE  27  -8.579  -2.617  -3.444
  237    HA   ILE  27           HA       ILE  27  -7.096  -4.995  -3.457
  238    HB   ILE  27           HB       ILE  27  -6.719  -2.579  -1.684
  239   HG12  ILE  27          HG12      ILE  27  -5.244  -3.213  -4.234
  240   HG13  ILE  27          HG13      ILE  27  -6.736  -2.279  -4.236
  241   HG21  ILE  27          HG21      ILE  27  -5.222  -5.081  -2.014
  242   HG22  ILE  27          HG22      ILE  27  -4.245  -3.615  -2.093
  243   HG23  ILE  27          HG23      ILE  27  -5.241  -3.937  -0.673
  244   HD11  ILE  27          HD11      ILE  27  -5.378  -0.910  -2.392
  245   HD12  ILE  27          HD12      ILE  27  -4.029  -1.531  -3.345
  246   HD13  ILE  27          HD13      ILE  27  -5.284  -0.563  -4.119
  247    H    GLY  28           H        GLY  28  -8.749  -3.363  -0.750
  248    HA2  GLY  28           HA2      GLY  28  -8.150  -5.294   1.200
  249    HA3  GLY  28           HA3      GLY  28  -9.492  -4.161   1.269
  250    H    GLN  29           H        GLN  29 -10.387  -5.383  -1.405
  251    HA   GLN  29           HA       GLN  29 -12.138  -7.333  -0.210
  252    HB2  GLN  29           HB2      GLN  29 -13.114  -5.860  -1.818
  253    HB3  GLN  29           HB3      GLN  29 -11.880  -6.243  -3.011
  254    HG2  GLN  29           HG2      GLN  29 -13.942  -7.333  -3.592
  255    HG3  GLN  29           HG3      GLN  29 -12.739  -8.539  -3.137
  256   HE21  GLN  29          HE21      GLN  29 -14.445 -10.011  -2.757
  257   HE22  GLN  29          HE22      GLN  29 -15.383  -9.931  -1.308
  258    H    GLY  30           H        GLY  30  -9.245  -7.347  -2.125
  259    HA2  GLY  30           HA2      GLY  30  -7.852  -9.319  -2.094
  260    HA3  GLY  30           HA3      GLY  30  -9.314 -10.294  -2.092
  261    H    TRP  31           H        TRP  31  -9.025  -7.526  -4.178
  262    HA   TRP  31           HA       TRP  31  -9.367  -9.215  -6.494
  263    HB2  TRP  31           HB2      TRP  31  -9.357  -6.255  -6.010
  264    HB3  TRP  31           HB3      TRP  31  -9.222  -6.876  -7.653
  265    HD1  TRP  31           HD1      TRP  31 -11.447  -8.752  -5.207
  266    HE1  TRP  31           HE1      TRP  31 -13.905  -8.441  -5.903
  267    HE3  TRP  31           HE3      TRP  31 -10.822  -5.195  -8.825
  268    HZ2  TRP  31           HZ2      TRP  31 -15.383  -6.894  -7.744
  269    HZ3  TRP  31           HZ3      TRP  31 -12.809  -4.352 -10.006
  270    HH2  TRP  31           HH2      TRP  31 -15.042  -5.186  -9.476
  271    H    THR  32           H        THR  32  -7.876  -9.755  -7.980
  272    HA   THR  32           HA       THR  32  -5.108  -9.335  -7.372
  273    HB   THR  32           HB       THR  32  -4.626 -10.711  -9.300
  274    HG1  THR  32           HG1      THR  32  -6.585 -11.455 -10.522
  275   HG21  THR  32          HG21      THR  32  -5.496 -11.790  -7.216
  276   HG22  THR  32          HG22      THR  32  -5.772 -12.729  -8.684
  277   HG23  THR  32          HG23      THR  32  -7.094 -11.815  -7.959
  278    H    ILE  33           H        ILE  33  -3.618  -8.771  -9.323
  279    HA   ILE  33           HA       ILE  33  -3.949  -6.056  -9.905
  280    HB   ILE  33           HB       ILE  33  -2.217  -8.061 -11.355
  281   HG12  ILE  33          HG12      ILE  33  -1.366  -6.146  -9.190
  282   HG13  ILE  33          HG13      ILE  33  -1.942  -7.768  -8.818
  283   HG21  ILE  33          HG21      ILE  33  -1.714  -6.393 -12.732
  284   HG22  ILE  33          HG22      ILE  33  -2.717  -5.272 -11.814
  285   HG23  ILE  33          HG23      ILE  33  -1.032  -5.523 -11.358
  286   HD11  ILE  33          HD11      ILE  33   0.575  -6.899 -10.128
  287   HD12  ILE  33          HD12      ILE  33   0.303  -8.130  -8.895
  288   HD13  ILE  33          HD13      ILE  33  -0.117  -8.458 -10.576
  289    H    ASP  34           H        ASP  34  -4.820  -8.931 -11.718
  290    HA   ASP  34           HA       ASP  34  -5.425  -7.583 -14.154
  291    HB2  ASP  34           HB2      ASP  34  -6.013 -10.312 -13.052
  292    HB3  ASP  34           HB3      ASP  34  -6.787  -9.773 -14.539
  293    H    GLN  35           H        GLN  35  -7.297  -8.521 -11.320
  294    HA   GLN  35           HA       GLN  35  -9.869  -8.100 -12.229
  295    HB2  GLN  35           HB2      GLN  35  -8.530  -7.986  -9.593
  296    HB3  GLN  35           HB3      GLN  35 -10.084  -7.171  -9.701
  297    HG2  GLN  35           HG2      GLN  35 -10.512  -9.364  -8.948
  298    HG3  GLN  35           HG3      GLN  35 -11.027  -9.296 -10.633
  299   HE21  GLN  35          HE21      GLN  35  -9.523 -11.168  -8.449
  300   HE22  GLN  35          HE22      GLN  35  -8.512 -12.105  -9.489
  301    H    ILE  36           H        ILE  36  -7.748  -5.702 -10.660
  302    HA   ILE  36           HA       ILE  36  -9.538  -3.535 -11.157
  303    HB   ILE  36           HB       ILE  36  -6.613  -3.478 -10.406
  304   HG12  ILE  36          HG12      ILE  36  -7.894  -2.736  -8.173
  305   HG13  ILE  36          HG13      ILE  36  -9.143  -3.765  -8.866
  306   HG21  ILE  36          HG21      ILE  36  -6.790  -1.311 -10.939
  307   HG22  ILE  36          HG22      ILE  36  -8.551  -1.376 -11.007
  308   HG23  ILE  36          HG23      ILE  36  -7.736  -1.175  -9.456
  309   HD11  ILE  36          HD11      ILE  36  -7.862  -5.667  -8.675
  310   HD12  ILE  36          HD12      ILE  36  -6.344  -4.769  -8.639
  311   HD13  ILE  36          HD13      ILE  36  -7.406  -4.764  -7.231
  312    H    GLU  37           H        GLU  37  -6.461  -4.568 -12.609
  313    HA   GLU  37           HA       GLU  37  -6.126  -2.532 -14.449
  314    HB2  GLU  37           HB2      GLU  37  -5.366  -5.435 -14.466
  315    HB3  GLU  37           HB3      GLU  37  -5.036  -4.426 -15.868
  316    HG2  GLU  37           HG2      GLU  37  -4.086  -3.817 -13.080
  317    HG3  GLU  37           HG3      GLU  37  -3.129  -4.650 -14.303
  318    H    LYS  38           H        LYS  38  -8.350  -5.206 -14.492
  319    HA   LYS  38           HA       LYS  38  -9.145  -4.608 -17.246
  320    HB2  LYS  38           HB2      LYS  38  -9.945  -6.852 -15.384
  321    HB3  LYS  38           HB3      LYS  38 -10.553  -6.652 -17.022
  322    HG2  LYS  38           HG2      LYS  38  -7.627  -6.927 -16.404
  323    HG3  LYS  38           HG3      LYS  38  -8.679  -8.312 -16.710
  324    HD2  LYS  38           HD2      LYS  38  -8.675  -6.060 -18.661
  325    HD3  LYS  38           HD3      LYS  38  -7.308  -7.177 -18.655
  326    HE2  LYS  38           HE2      LYS  38 -10.191  -8.035 -18.845
  327    HE3  LYS  38           HE3      LYS  38  -9.145  -7.782 -20.241
  328    HZ1  LYS  38           HZ1      LYS  38  -8.489  -9.869 -19.991
  329    HZ2  LYS  38           HZ2      LYS  38  -9.324 -10.035 -18.530
  330    HZ3  LYS  38           HZ3      LYS  38  -7.742  -9.434 -18.537
  331    H    TRP  39           H        TRP  39 -10.172  -4.226 -13.965
  332    HA   TRP  39           HA       TRP  39 -12.933  -3.744 -14.532
  333    HB2  TRP  39           HB2      TRP  39 -12.294  -4.484 -12.320
  334    HB3  TRP  39           HB3      TRP  39 -11.234  -3.092 -12.117
  335    HD1  TRP  39           HD1      TRP  39 -14.809  -4.189 -11.697
  336    HE1  TRP  39           HE1      TRP  39 -16.197  -2.250 -10.728
  337    HE3  TRP  39           HE3      TRP  39 -11.391  -0.419 -12.189
  338    HZ2  TRP  39           HZ2      TRP  39 -15.884   0.512 -10.238
  339    HZ3  TRP  39           HZ3      TRP  39 -12.014   1.842 -11.446
  340    HH2  TRP  39           HH2      TRP  39 -14.215   2.296 -10.492
  341    H    LEU  40           H        LEU  40 -10.051  -1.762 -14.274
  342    HA   LEU  40           HA       LEU  40 -11.562   0.707 -14.477
  343    HB2  LEU  40           HB2      LEU  40  -9.627   0.736 -13.069
  344    HB3  LEU  40           HB3      LEU  40  -8.612   0.116 -14.370
  345    HG   LEU  40           HG       LEU  40  -8.749   2.203 -15.550
  346   HD11  LEU  40          HD11      LEU  40 -11.075   2.747 -15.011
  347   HD12  LEU  40          HD12      LEU  40  -9.996   4.107 -14.700
  348   HD13  LEU  40          HD13      LEU  40 -10.598   3.134 -13.357
  349   HD21  LEU  40          HD21      LEU  40  -7.119   3.033 -14.292
  350   HD22  LEU  40          HD22      LEU  40  -7.558   1.874 -13.037
  351   HD23  LEU  40          HD23      LEU  40  -8.261   3.492 -13.029
  352    H    LYS  41           H        LYS  41  -9.310  -1.181 -16.457
  353    HA   LYS  41           HA       LYS  41  -9.059   0.495 -18.638
  354    HB2  LYS  41           HB2      LYS  41  -8.923  -2.451 -18.245
  355    HB3  LYS  41           HB3      LYS  41  -9.027  -1.861 -19.898
  356    HG2  LYS  41           HG2      LYS  41  -7.033  -0.546 -18.167
  357    HG3  LYS  41           HG3      LYS  41  -6.716  -2.228 -18.602
  358    HD2  LYS  41           HD2      LYS  41  -5.746  -1.240 -20.401
  359    HD3  LYS  41           HD3      LYS  41  -7.402  -1.294 -21.010
  360    HE2  LYS  41           HE2      LYS  41  -6.559   0.902 -21.404
  361    HE3  LYS  41           HE3      LYS  41  -7.726   1.008 -20.087
  362    HZ1  LYS  41           HZ1      LYS  41  -5.157   1.946 -20.061
  363    HZ2  LYS  41           HZ2      LYS  41  -5.082   0.537 -19.128
  364    HZ3  LYS  41           HZ3      LYS  41  -6.170   1.765 -18.717
  365    H    ARG  42           H        ARG  42 -11.754  -1.506 -17.690
  366    HA   ARG  42           HA       ARG  42 -13.143  -0.981 -20.207
  367    HB2  ARG  42           HB2      ARG  42 -13.135  -3.269 -19.123
  368    HB3  ARG  42           HB3      ARG  42 -14.143  -2.584 -17.855
  369    HG2  ARG  42           HG2      ARG  42 -15.720  -1.889 -19.750
  370    HG3  ARG  42           HG3      ARG  42 -14.800  -3.022 -20.743
  371    HD2  ARG  42           HD2      ARG  42 -15.246  -4.702 -18.838
  372    HD3  ARG  42           HD3      ARG  42 -16.499  -3.569 -18.335
  373    HE   ARG  42           HE       ARG  42 -16.965  -3.992 -20.997
  374   HH11  ARG  42          HH11      ARG  42 -16.705  -6.011 -18.173
  375   HH12  ARG  42          HH12      ARG  42 -17.802  -7.212 -18.770
  376   HH21  ARG  42          HH21      ARG  42 -18.411  -5.565 -21.794
  377   HH22  ARG  42          HH22      ARG  42 -18.771  -6.958 -20.831
  378    H    HIS  43           H        HIS  43 -13.092  -0.003 -16.882
  379    HA   HIS  43           HA       HIS  43 -15.362   1.798 -17.413
  380    HB2  HIS  43           HB2      HIS  43 -15.672  -0.179 -15.717
  381    HB3  HIS  43           HB3      HIS  43 -14.749   0.860 -14.635
  382    HD1  HIS  43           HD1      HIS  43 -16.234   2.165 -13.170
  383    HD2  HIS  43           HD2      HIS  43 -17.935   1.543 -16.909
  384    HE1  HIS  43           HE1      HIS  43 -18.475   3.302 -13.087
  Start of MODEL    5
    1    HCN  FME   1           HF       FME   1  -4.381  -1.067   2.244
    2    HA   FME   1           HA       FME   1  -1.167   0.047  -0.284
    3    HB2  FME   1           HB2      FME   1   0.268   0.337   1.966
    4    HB3  FME   1           HB3      FME   1  -1.376   0.587   2.653
    5    HG2  FME   1           HG2      FME   1  -1.740   2.587   1.488
    6    HG3  FME   1           HG3      FME   1  -0.687   2.127   0.102
    7    HE1  FME   1           HE8      FME   1  -1.005   4.742   2.353
    8    HE2  FME   1           HE2      FME   1   0.331   4.800   3.575
    9    HE3  FME   1           HE3      FME   1  -0.985   3.554   3.719
   10    H    GLY   2           H        GLY   2  -0.877  -1.767  -1.317
   11    HA2  GLY   2           HA2      GLY   2   1.120  -3.473  -0.238
   12    HA3  GLY   2           HA3      GLY   2  -0.429  -4.302  -0.278
   13    H    ALA   3           H        ALA   3  -1.538  -3.431  -2.604
   14    HA   ALA   3           HA       ALA   3   0.420  -4.239  -4.654
   15    HB1  ALA   3           HB1      ALA   3  -2.488  -4.942  -4.841
   16    HB2  ALA   3           HB2      ALA   3  -1.115  -5.657  -5.686
   17    HB3  ALA   3           HB3      ALA   3  -1.352  -5.968  -3.966
   18    H    ILE   4           H        ILE   4  -0.322  -1.555  -3.874
   19    HA   ILE   4           HA       ILE   4  -2.182  -0.500  -5.768
   20    HB   ILE   4           HB       ILE   4  -0.060   0.998  -4.229
   21   HG12  ILE   4          HG12      ILE   4  -1.531  -0.333  -2.746
   22   HG13  ILE   4          HG13      ILE   4  -1.764   1.399  -2.537
   23   HG21  ILE   4          HG21      ILE   4  -1.976   1.802  -6.180
   24   HG22  ILE   4          HG22      ILE   4  -2.414   2.508  -4.625
   25   HG23  ILE   4          HG23      ILE   4  -0.809   2.790  -5.300
   26   HD11  ILE   4          HD11      ILE   4  -3.532  -0.240  -4.317
   27   HD12  ILE   4          HD12      ILE   4  -3.837  -0.054  -2.590
   28   HD13  ILE   4          HD13      ILE   4  -3.828   1.361  -3.641
   29    H    ALA   5           H        ALA   5   1.348  -0.680  -5.579
   30    HA   ALA   5           HA       ALA   5   1.942   0.854  -7.846
   31    HB1  ALA   5           HB1      ALA   5   3.511  -1.481  -6.761
   32    HB2  ALA   5           HB2      ALA   5   4.121  -0.191  -7.798
   33    HB3  ALA   5           HB3      ALA   5   3.599   0.172  -6.153
   34    H    LYS   6           H        LYS   6   1.014  -2.509  -7.495
   35    HA   LYS   6           HA       LYS   6   1.727  -3.470 -10.014
   36    HB2  LYS   6           HB2      LYS   6  -0.673  -4.256  -8.351
   37    HB3  LYS   6           HB3      LYS   6   0.033  -5.204  -9.653
   38    HG2  LYS   6           HG2      LYS   6   1.462  -4.453  -7.112
   39    HG3  LYS   6           HG3      LYS   6   0.663  -5.999  -7.404
   40    HD2  LYS   6           HD2      LYS   6   2.156  -6.238  -9.433
   41    HD3  LYS   6           HD3      LYS   6   3.060  -4.851  -8.820
   42    HE2  LYS   6           HE2      LYS   6   4.121  -6.927  -8.138
   43    HE3  LYS   6           HE3      LYS   6   3.492  -6.067  -6.734
   44    HZ1  LYS   6           HZ1      LYS   6   2.998  -8.677  -7.406
   45    HZ2  LYS   6           HZ2      LYS   6   1.567  -7.870  -7.808
   46    HZ3  LYS   6           HZ3      LYS   6   2.181  -7.769  -6.235
   47    H    LEU   7           H        LEU   7  -0.889  -1.410  -9.033
   48    HA   LEU   7           HA       LEU   7  -2.117  -1.618 -11.691
   49    HB2  LEU   7           HB2      LEU   7  -3.248  -0.070  -9.388
   50    HB3  LEU   7           HB3      LEU   7  -4.085  -0.746 -10.784
   51    HG   LEU   7           HG       LEU   7  -2.859  -2.445  -8.621
   52   HD11  LEU   7          HD11      LEU   7  -5.516  -2.645  -8.211
   53   HD12  LEU   7          HD12      LEU   7  -5.392  -0.949  -8.676
   54   HD13  LEU   7          HD13      LEU   7  -4.458  -1.558  -7.310
   55   HD21  LEU   7          HD21      LEU   7  -4.842  -3.898  -9.654
   56   HD22  LEU   7          HD22      LEU   7  -3.207  -3.912 -10.316
   57   HD23  LEU   7          HD23      LEU   7  -4.456  -2.919 -11.069
   58    H    VAL   8           H        VAL   8  -0.566   0.614  -9.477
   59    HA   VAL   8           HA       VAL   8  -1.086   2.982 -10.952
   60    HB   VAL   8           HB       VAL   8   1.149   2.400  -9.003
   61   HG11  VAL   8          HG11      VAL   8   0.509   5.113  -8.950
   62   HG12  VAL   8          HG12      VAL   8   1.967   4.376  -9.616
   63   HG13  VAL   8          HG13      VAL   8   0.581   4.691 -10.661
   64   HG21  VAL   8          HG21      VAL   8  -0.273   2.779  -7.314
   65   HG22  VAL   8          HG22      VAL   8  -1.062   4.113  -8.155
   66   HG23  VAL   8          HG23      VAL   8  -1.542   2.450  -8.495
   67    H    ALA   9           H        ALA   9   1.321   0.477 -11.181
   68    HA   ALA   9           HA       ALA   9   3.340   1.765 -12.583
   69    HB1  ALA   9           HB1      ALA   9   2.479  -0.994 -12.178
   70    HB2  ALA   9           HB2      ALA   9   3.310  -0.731 -13.712
   71    HB3  ALA   9           HB3      ALA   9   4.101  -0.301 -12.195
   72    H    LYS  10           H        LYS  10   0.174   0.821 -13.622
   73    HA   LYS  10           HA       LYS  10   0.861   1.505 -16.403
   74    HB2  LYS  10           HB2      LYS  10  -1.466  -0.096 -15.321
   75    HB3  LYS  10           HB3      LYS  10  -1.226   0.308 -17.016
   76    HG2  LYS  10           HG2      LYS  10  -0.309  -1.753 -17.042
   77    HG3  LYS  10           HG3      LYS  10   1.124  -0.853 -16.539
   78    HD2  LYS  10           HD2      LYS  10   0.728  -1.407 -14.233
   79    HD3  LYS  10           HD3      LYS  10  -0.822  -2.151 -14.633
   80    HE2  LYS  10           HE2      LYS  10   0.378  -3.825 -15.998
   81    HE3  LYS  10           HE3      LYS  10   1.907  -3.105 -15.497
   82    HZ1  LYS  10           HZ1      LYS  10   0.283  -4.979 -14.124
   83    HZ2  LYS  10           HZ2      LYS  10   0.504  -3.597 -13.174
   84    HZ3  LYS  10           HZ3      LYS  10   1.847  -4.449 -13.753
   85    H    PHE  11           H        PHE  11  -1.393   2.116 -13.767
   86    HA   PHE  11           HA       PHE  11  -2.941   4.022 -15.265
   87    HB2  PHE  11           HB2      PHE  11  -2.871   3.387 -12.308
   88    HB3  PHE  11           HB3      PHE  11  -4.024   4.480 -13.068
   89    HD1  PHE  11           HD2      PHE  11  -4.620   2.972 -15.552
   90    HD2  PHE  11           HD1      PHE  11  -4.217   1.660 -11.523
   91    HE1  PHE  11           HE2      PHE  11  -6.109   1.072 -16.025
   92    HE2  PHE  11           HE1      PHE  11  -5.705  -0.243 -11.990
   93    HZ   PHE  11           HZ       PHE  11  -6.654  -0.539 -14.243
   94    H    GLY  12           H        GLY  12  -1.120   4.453 -12.226
   95    HA2  GLY  12           HA2      GLY  12   0.725   6.064 -12.157
   96    HA3  GLY  12           HA3      GLY  12  -0.193   7.051 -13.285
   97    H    TRP  13           H        TRP  13   0.653   8.376 -11.191
   98    HA   TRP  13           HA       TRP  13  -0.990   8.255  -8.883
   99    HB2  TRP  13           HB2      TRP  13   0.336  10.804  -9.709
  100    HB3  TRP  13           HB3      TRP  13   0.205  10.077  -8.110
  101    HD1  TRP  13           HD1      TRP  13   2.725  10.761 -10.593
  102    HE1  TRP  13           HE1      TRP  13   4.769   9.218 -10.340
  103    HE3  TRP  13           HE3      TRP  13   0.686   7.207  -7.536
  104    HZ2  TRP  13           HZ2      TRP  13   5.430   6.812  -9.020
  105    HZ3  TRP  13           HZ3      TRP  13   2.091   5.317  -6.824
  106    HH2  TRP  13           HH2      TRP  13   4.414   5.125  -7.552
  107    HA   PRO  14           HA       PRO  14  -3.303  11.986 -10.940
  108    HB2  PRO  14           HB2      PRO  14  -2.924  12.323 -13.607
  109    HB3  PRO  14           HB3      PRO  14  -1.917  13.111 -12.387
  110    HG2  PRO  14           HG2      PRO  14  -1.368  10.642 -13.988
  111    HG3  PRO  14           HG3      PRO  14  -0.281  11.987 -13.598
  112    HD2  PRO  14           HD2      PRO  14  -0.221   9.631 -12.265
  113    HD3  PRO  14           HD3      PRO  14   0.164  11.179 -11.485
  114    H    PHE  15           H        PHE  15  -2.939   8.832 -12.123
  115    HA   PHE  15           HA       PHE  15  -5.548   8.879 -13.468
  116    HB2  PHE  15           HB2      PHE  15  -3.289   7.800 -14.392
  117    HB3  PHE  15           HB3      PHE  15  -3.859   6.427 -13.450
  118    HD1  PHE  15           HD1      PHE  15  -6.107   5.452 -13.956
  119    HD2  PHE  15           HD2      PHE  15  -4.239   8.331 -16.473
  120    HE1  PHE  15           HE1      PHE  15  -7.604   4.806 -15.799
  121    HE2  PHE  15           HE2      PHE  15  -5.734   7.691 -18.320
  122    HZ   PHE  15           HZ       PHE  15  -7.419   5.927 -17.984
  123    H    ILE  16           H        ILE  16  -3.765   7.366 -10.841
  124    HA   ILE  16           HA       ILE  16  -5.916   5.609 -10.102
  125    HB   ILE  16           HB       ILE  16  -3.504   5.111  -9.649
  126   HG12  ILE  16          HG12      ILE  16  -5.255   5.175  -7.183
  127   HG13  ILE  16          HG13      ILE  16  -5.388   3.981  -8.470
  128   HG21  ILE  16          HG21      ILE  16  -3.000   7.464  -8.890
  129   HG22  ILE  16          HG22      ILE  16  -3.773   7.045  -7.362
  130   HG23  ILE  16          HG23      ILE  16  -2.333   6.175  -7.888
  131   HD11  ILE  16          HD11      ILE  16  -3.393   2.964  -7.902
  132   HD12  ILE  16          HD12      ILE  16  -2.799   4.382  -7.037
  133   HD13  ILE  16          HD13      ILE  16  -4.079   3.392  -6.335
  134    H    LYS  17           H        LYS  17  -4.852   8.812  -9.232
  135    HA   LYS  17           HA       LYS  17  -6.331   9.045  -6.818
  136    HB2  LYS  17           HB2      LYS  17  -5.803  11.370  -6.897
  137    HB3  LYS  17           HB3      LYS  17  -4.400  10.503  -7.510
  138    HG2  LYS  17           HG2      LYS  17  -5.103  11.009  -9.804
  139    HG3  LYS  17           HG3      LYS  17  -6.484  11.907  -9.171
  140    HD2  LYS  17           HD2      LYS  17  -4.701  13.247  -7.855
  141    HD3  LYS  17           HD3      LYS  17  -3.566  12.574  -9.028
  142    HE2  LYS  17           HE2      LYS  17  -4.173  14.588 -10.001
  143    HE3  LYS  17           HE3      LYS  17  -5.248  13.436 -10.792
  144    HZ1  LYS  17           HZ1      LYS  17  -6.757  14.997 -10.201
  145    HZ2  LYS  17           HZ2      LYS  17  -5.871  15.538  -8.866
  146    HZ3  LYS  17           HZ3      LYS  17  -6.772  14.110  -8.760
  147    H    LYS  18           H        LYS  18  -7.195   9.173 -10.134
  148    HA   LYS  18           HA       LYS  18  -9.460  10.847  -9.993
  149    HB2  LYS  18           HB2      LYS  18  -8.633   8.650 -11.876
  150    HB3  LYS  18           HB3      LYS  18 -10.169   9.486 -12.061
  151    HG2  LYS  18           HG2      LYS  18  -7.547  10.943 -11.945
  152    HG3  LYS  18           HG3      LYS  18  -8.236  10.334 -13.451
  153    HD2  LYS  18           HD2      LYS  18 -10.207  11.694 -13.149
  154    HD3  LYS  18           HD3      LYS  18  -9.642  12.220 -11.562
  155    HE2  LYS  18           HE2      LYS  18  -7.570  13.077 -12.854
  156    HE3  LYS  18           HE3      LYS  18  -8.600  12.939 -14.278
  157    HZ1  LYS  18           HZ1      LYS  18  -9.940  14.274 -12.152
  158    HZ2  LYS  18           HZ2      LYS  18  -9.655  14.797 -13.735
  159    HZ3  LYS  18           HZ3      LYS  18  -8.489  15.055 -12.536
  160    H    PHE  19           H        PHE  19  -8.972   7.441  -9.320
  161    HA   PHE  19           HA       PHE  19 -11.631   7.343  -8.113
  162    HB2  PHE  19           HB2      PHE  19 -10.624   5.327 -10.131
  163    HB3  PHE  19           HB3      PHE  19 -12.068   5.121  -9.145
  164    HD1  PHE  19           HD2      PHE  19 -10.541   7.152 -11.821
  165    HD2  PHE  19           HD1      PHE  19 -14.112   6.131  -9.744
  166    HE1  PHE  19           HE2      PHE  19 -11.866   8.331 -13.527
  167    HE2  PHE  19           HE1      PHE  19 -15.443   7.306 -11.447
  168    HZ   PHE  19           HZ       PHE  19 -14.320   8.410 -13.341
  169    H    TYR  20           H        TYR  20  -9.175   7.572  -6.828
  170    HA   TYR  20           HA       TYR  20  -8.002   5.143  -6.057
  171    HB2  TYR  20           HB2      TYR  20  -7.019   7.405  -5.675
  172    HB3  TYR  20           HB3      TYR  20  -8.208   7.668  -4.404
  173    HD1  TYR  20           HD2      TYR  20  -5.909   4.859  -5.322
  174    HD2  TYR  20           HD1      TYR  20  -7.285   7.522  -2.303
  175    HE1  TYR  20           HE2      TYR  20  -4.403   3.788  -3.699
  176    HE2  TYR  20           HE1      TYR  20  -5.783   6.459  -0.672
  177    HH   TYR  20           HH       TYR  20  -4.533   3.623  -0.899
  178    H    LYS  21           H        LYS  21 -10.852   6.820  -4.930
  179    HA   LYS  21           HA       LYS  21 -11.223   5.454  -2.499
  180    HB2  LYS  21           HB2      LYS  21 -13.207   6.750  -4.372
  181    HB3  LYS  21           HB3      LYS  21 -13.634   6.124  -2.785
  182    HG2  LYS  21           HG2      LYS  21 -11.487   8.186  -3.160
  183    HG3  LYS  21           HG3      LYS  21 -13.189   8.614  -2.968
  184    HD2  LYS  21           HD2      LYS  21 -13.266   7.569  -0.807
  185    HD3  LYS  21           HD3      LYS  21 -11.636   6.923  -1.012
  186    HE2  LYS  21           HE2      LYS  21 -10.828   9.295  -1.173
  187    HE3  LYS  21           HE3      LYS  21 -12.449   9.809  -0.710
  188    HZ1  LYS  21           HZ1      LYS  21 -10.603   9.489   1.077
  189    HZ2  LYS  21           HZ2      LYS  21 -11.045   7.859   0.975
  190    HZ3  LYS  21           HZ3      LYS  21 -12.195   9.022   1.407
  191    H    GLN  22           H        GLN  22 -11.780   4.531  -5.789
  192    HA   GLN  22           HA       GLN  22 -13.309   2.175  -4.947
  193    HB2  GLN  22           HB2      GLN  22 -14.209   3.555  -6.802
  194    HB3  GLN  22           HB3      GLN  22 -12.763   3.201  -7.738
  195    HG2  GLN  22           HG2      GLN  22 -14.142   1.624  -8.593
  196    HG3  GLN  22           HG3      GLN  22 -13.486   0.710  -7.236
  197   HE21  GLN  22          HE21      GLN  22 -16.245   2.467  -8.445
  198   HE22  GLN  22          HE22      GLN  22 -17.393   1.828  -7.323
  199    H    ILE  23           H        ILE  23 -10.301   3.161  -6.451
  200    HA   ILE  23           HA       ILE  23  -9.455   0.595  -7.294
  201    HB   ILE  23           HB       ILE  23  -7.791   3.013  -6.581
  202   HG12  ILE  23          HG12      ILE  23  -8.265   2.152  -9.387
  203   HG13  ILE  23          HG13      ILE  23  -9.611   2.914  -8.547
  204   HG21  ILE  23          HG21      ILE  23  -6.451   0.995  -6.527
  205   HG22  ILE  23          HG22      ILE  23  -7.065   0.518  -8.109
  206   HG23  ILE  23          HG23      ILE  23  -6.047   1.949  -7.954
  207   HD11  ILE  23          HD11      ILE  23  -7.186   4.080  -9.634
  208   HD12  ILE  23          HD12      ILE  23  -8.727   4.835  -9.225
  209   HD13  ILE  23          HD13      ILE  23  -7.510   4.581  -7.975
  210    H    MET  24           H        MET  24  -8.371   2.545  -4.504
  211    HA   MET  24           HA       MET  24  -6.802   0.632  -3.276
  212    HB2  MET  24           HB2      MET  24  -6.933   1.937  -1.301
  213    HB3  MET  24           HB3      MET  24  -7.064   3.071  -2.639
  214    HG2  MET  24           HG2      MET  24  -9.617   2.775  -2.304
  215    HG3  MET  24           HG3      MET  24  -9.157   2.166  -0.716
  216    HE1  MET  24           HE1      MET  24  -7.112   3.655   0.625
  217    HE2  MET  24           HE2      MET  24  -7.846   5.159   1.183
  218    HE3  MET  24           HE3      MET  24  -8.746   3.645   1.289
  219    H    GLN  25           H        GLN  25 -10.273   0.929  -3.340
  220    HA   GLN  25           HA       GLN  25 -10.898  -0.729  -1.156
  221    HB2  GLN  25           HB2      GLN  25 -12.344   0.221  -3.580
  222    HB3  GLN  25           HB3      GLN  25 -13.032  -1.132  -2.692
  223    HG2  GLN  25           HG2      GLN  25 -12.342   1.541  -1.494
  224    HG3  GLN  25           HG3      GLN  25 -13.952   1.047  -2.014
  225   HE21  GLN  25          HE21      GLN  25 -13.774   1.828   0.493
  226   HE22  GLN  25          HE22      GLN  25 -13.819   0.495   1.590
  227    H    PHE  26           H        PHE  26 -10.484  -1.457  -4.605
  228    HA   PHE  26           HA       PHE  26 -11.165  -4.132  -4.606
  229    HB2  PHE  26           HB2      PHE  26  -9.008  -2.726  -6.194
  230    HB3  PHE  26           HB3      PHE  26  -9.597  -4.349  -6.542
  231    HD1  PHE  26           HD1      PHE  26 -12.442  -4.174  -6.288
  232    HD2  PHE  26           HD2      PHE  26  -9.713  -1.308  -7.854
  233    HE1  PHE  26           HE1      PHE  26 -14.240  -3.225  -7.673
  234    HE2  PHE  26           HE2      PHE  26 -11.507  -0.353  -9.241
  235    HZ   PHE  26           HZ       PHE  26 -13.774  -1.311  -9.152
  236    H    ILE  27           H        ILE  27  -7.952  -2.721  -4.014
  237    HA   ILE  27           HA       ILE  27  -6.501  -5.034  -3.628
  238    HB   ILE  27           HB       ILE  27  -6.188  -2.440  -2.113
  239   HG12  ILE  27          HG12      ILE  27  -6.105  -2.088  -4.520
  240   HG13  ILE  27          HG13      ILE  27  -4.489  -1.930  -3.842
  241   HG21  ILE  27          HG21      ILE  27  -4.658  -4.945  -2.142
  242   HG22  ILE  27          HG22      ILE  27  -3.697  -3.481  -2.345
  243   HG23  ILE  27          HG23      ILE  27  -4.728  -3.670  -0.927
  244   HD11  ILE  27          HD11      ILE  27  -5.472  -3.732  -5.860
  245   HD12  ILE  27          HD12      ILE  27  -3.813  -3.346  -5.401
  246   HD13  ILE  27          HD13      ILE  27  -4.696  -4.607  -4.541
  247    H    GLY  28           H        GLY  28  -8.261  -3.159  -1.159
  248    HA2  GLY  28           HA2      GLY  28  -7.695  -4.975   0.955
  249    HA3  GLY  28           HA3      GLY  28  -8.923  -3.719   0.972
  250    H    GLN  29           H        GLN  29  -9.985  -5.031  -1.601
  251    HA   GLN  29           HA       GLN  29 -11.902  -6.699  -0.255
  252    HB2  GLN  29           HB2      GLN  29 -12.725  -5.277  -1.994
  253    HB3  GLN  29           HB3      GLN  29 -11.549  -5.901  -3.143
  254    HG2  GLN  29           HG2      GLN  29 -12.763  -7.743  -3.600
  255    HG3  GLN  29           HG3      GLN  29 -13.376  -7.882  -1.953
  256   HE21  GLN  29          HE21      GLN  29 -15.500  -7.806  -1.995
  257   HE22  GLN  29          HE22      GLN  29 -16.464  -6.708  -2.916
  258    H    GLY  30           H        GLY  30  -9.157  -7.165  -2.394
  259    HA2  GLY  30           HA2      GLY  30  -7.914  -9.254  -2.124
  260    HA3  GLY  30           HA3      GLY  30  -9.462 -10.077  -2.002
  261    H    TRP  31           H        TRP  31  -9.131  -7.560  -4.340
  262    HA   TRP  31           HA       TRP  31  -9.585  -9.448  -6.474
  263    HB2  TRP  31           HB2      TRP  31  -9.524  -6.462  -6.250
  264    HB3  TRP  31           HB3      TRP  31  -9.407  -7.210  -7.841
  265    HD1  TRP  31           HD1      TRP  31 -11.631  -8.859  -5.234
  266    HE1  TRP  31           HE1      TRP  31 -14.091  -8.583  -5.938
  267    HE3  TRP  31           HE3      TRP  31 -10.998  -5.622  -9.139
  268    HZ2  TRP  31           HZ2      TRP  31 -15.568  -7.179  -7.892
  269    HZ3  TRP  31           HZ3      TRP  31 -12.986  -4.861 -10.374
  270    HH2  TRP  31           HH2      TRP  31 -15.222  -5.625  -9.762
  271    H    THR  32           H        THR  32  -8.171 -10.120  -7.994
  272    HA   THR  32           HA       THR  32  -5.405  -9.975  -7.502
  273    HB   THR  32           HB       THR  32  -5.109 -11.080  -9.663
  274    HG1  THR  32           HG1      THR  32  -7.017 -11.452 -10.951
  275   HG21  THR  32          HG21      THR  32  -6.154 -12.215  -7.546
  276   HG22  THR  32          HG22      THR  32  -6.098 -13.084  -9.080
  277   HG23  THR  32          HG23      THR  32  -7.595 -12.313  -8.557
  278    H    ILE  33           H        ILE  33  -3.828  -9.296  -9.298
  279    HA   ILE  33           HA       ILE  33  -4.006  -6.490  -9.608
  280    HB   ILE  33           HB       ILE  33  -2.142  -8.430 -10.981
  281   HG12  ILE  33          HG12      ILE  33  -0.665  -7.147  -9.091
  282   HG13  ILE  33          HG13      ILE  33  -2.226  -7.234  -8.283
  283   HG21  ILE  33          HG21      ILE  33  -2.251  -6.291 -12.139
  284   HG22  ILE  33          HG22      ILE  33  -1.938  -5.443 -10.626
  285   HG23  ILE  33          HG23      ILE  33  -0.698  -6.483 -11.327
  286   HD11  ILE  33          HD11      ILE  33  -1.860  -9.345  -7.755
  287   HD12  ILE  33          HD12      ILE  33  -1.636  -9.765  -9.453
  288   HD13  ILE  33          HD13      ILE  33  -0.261  -9.227  -8.488
  289    H    ASP  34           H        ASP  34  -4.881  -9.172 -11.643
  290    HA   ASP  34           HA       ASP  34  -5.139  -7.569 -14.030
  291    HB2  ASP  34           HB2      ASP  34  -4.604 -10.114 -13.844
  292    HB3  ASP  34           HB3      ASP  34  -6.350 -10.295 -13.699
  293    H    GLN  35           H        GLN  35  -7.124  -8.501 -11.364
  294    HA   GLN  35           HA       GLN  35  -9.669  -8.265 -12.522
  295    HB2  GLN  35           HB2      GLN  35  -8.569  -8.162  -9.766
  296    HB3  GLN  35           HB3      GLN  35 -10.177  -7.491 -10.007
  297    HG2  GLN  35           HG2      GLN  35  -9.324 -10.280 -10.751
  298    HG3  GLN  35           HG3      GLN  35 -10.231  -9.836  -9.306
  299   HE21  GLN  35          HE21      GLN  35 -12.387  -9.394  -9.458
  300   HE22  GLN  35          HE22      GLN  35 -13.309  -9.633 -10.899
  301    H    ILE  36           H        ILE  36  -7.705  -5.855 -10.788
  302    HA   ILE  36           HA       ILE  36  -9.564  -3.734 -11.259
  303    HB   ILE  36           HB       ILE  36  -6.669  -3.602 -10.406
  304   HG12  ILE  36          HG12      ILE  36  -8.069  -2.983  -8.197
  305   HG13  ILE  36          HG13      ILE  36  -9.229  -4.059  -8.969
  306   HG21  ILE  36          HG21      ILE  36  -6.824  -1.398 -10.592
  307   HG22  ILE  36          HG22      ILE  36  -8.468  -1.553 -11.208
  308   HG23  ILE  36          HG23      ILE  36  -8.187  -1.401  -9.474
  309   HD11  ILE  36          HD11      ILE  36  -8.049  -5.866  -8.444
  310   HD12  ILE  36          HD12      ILE  36  -6.529  -5.130  -8.955
  311   HD13  ILE  36          HD13      ILE  36  -7.163  -4.814  -7.340
  312    H    GLU  37           H        GLU  37  -6.371  -4.553 -12.605
  313    HA   GLU  37           HA       GLU  37  -6.108  -2.449 -14.386
  314    HB2  GLU  37           HB2      GLU  37  -5.062  -5.236 -14.283
  315    HB3  GLU  37           HB3      GLU  37  -4.873  -4.346 -15.787
  316    HG2  GLU  37           HG2      GLU  37  -3.819  -2.506 -14.417
  317    HG3  GLU  37           HG3      GLU  37  -3.786  -3.650 -13.077
  318    H    LYS  38           H        LYS  38  -8.127  -5.267 -14.569
  319    HA   LYS  38           HA       LYS  38  -8.806  -4.720 -17.362
  320    HB2  LYS  38           HB2      LYS  38  -8.366  -7.049 -16.766
  321    HB3  LYS  38           HB3      LYS  38  -9.621  -6.988 -15.536
  322    HG2  LYS  38           HG2      LYS  38 -10.512  -8.116 -17.426
  323    HG3  LYS  38           HG3      LYS  38 -11.271  -6.524 -17.350
  324    HD2  LYS  38           HD2      LYS  38 -10.732  -6.777 -19.607
  325    HD3  LYS  38           HD3      LYS  38  -9.415  -5.789 -18.971
  326    HE2  LYS  38           HE2      LYS  38  -8.425  -7.454 -20.341
  327    HE3  LYS  38           HE3      LYS  38  -8.108  -7.915 -18.670
  328    HZ1  LYS  38           HZ1      LYS  38  -8.807  -9.884 -19.582
  329    HZ2  LYS  38           HZ2      LYS  38  -9.923  -9.153 -20.621
  330    HZ3  LYS  38           HZ3      LYS  38 -10.268  -9.289 -18.971
  331    H    TRP  39           H        TRP  39 -10.058  -4.421 -14.143
  332    HA   TRP  39           HA       TRP  39 -12.799  -4.125 -14.814
  333    HB2  TRP  39           HB2      TRP  39 -12.187  -4.666 -12.546
  334    HB3  TRP  39           HB3      TRP  39 -11.214  -3.204 -12.410
  335    HD1  TRP  39           HD1      TRP  39 -14.733  -4.481 -12.007
  336    HE1  TRP  39           HE1      TRP  39 -16.253  -2.570 -11.193
  337    HE3  TRP  39           HE3      TRP  39 -11.518  -0.557 -12.645
  338    HZ2  TRP  39           HZ2      TRP  39 -16.109   0.229 -10.865
  339    HZ3  TRP  39           HZ3      TRP  39 -12.288   1.705 -12.058
  340    HH2  TRP  39           HH2      TRP  39 -14.536   2.088 -11.187
  341    H    LEU  40           H        LEU  40 -10.082  -1.926 -14.689
  342    HA   LEU  40           HA       LEU  40 -11.792   0.395 -15.098
  343    HB2  LEU  40           HB2      LEU  40  -9.965   0.716 -13.600
  344    HB3  LEU  40           HB3      LEU  40  -8.818   0.067 -14.770
  345    HG   LEU  40           HG       LEU  40  -9.013   2.023 -16.141
  346   HD11  LEU  40          HD11      LEU  40 -11.415   2.412 -15.818
  347   HD12  LEU  40          HD12      LEU  40 -10.468   3.881 -15.585
  348   HD13  LEU  40          HD13      LEU  40 -11.091   3.003 -14.189
  349   HD21  LEU  40          HD21      LEU  40  -7.535   3.049 -14.845
  350   HD22  LEU  40          HD22      LEU  40  -8.046   2.037 -13.495
  351   HD23  LEU  40          HD23      LEU  40  -8.816   3.601 -13.766
  352    H    LYS  41           H        LYS  41  -9.419  -1.546 -16.838
  353    HA   LYS  41           HA       LYS  41  -9.252   0.075 -19.142
  354    HB2  LYS  41           HB2      LYS  41  -8.569  -2.749 -18.474
  355    HB3  LYS  41           HB3      LYS  41  -8.646  -2.299 -20.172
  356    HG2  LYS  41           HG2      LYS  41  -7.095  -0.345 -19.462
  357    HG3  LYS  41           HG3      LYS  41  -6.775  -1.352 -18.048
  358    HD2  LYS  41           HD2      LYS  41  -6.608  -2.586 -20.756
  359    HD3  LYS  41           HD3      LYS  41  -5.293  -1.538 -20.219
  360    HE2  LYS  41           HE2      LYS  41  -5.118  -2.926 -18.160
  361    HE3  LYS  41           HE3      LYS  41  -6.319  -4.019 -18.845
  362    HZ1  LYS  41           HZ1      LYS  41  -4.859  -4.820 -20.373
  363    HZ2  LYS  41           HZ2      LYS  41  -3.763  -4.445 -19.141
  364    HZ3  LYS  41           HZ3      LYS  41  -3.954  -3.392 -20.451
  365    H    ARG  42           H        ARG  42 -11.438  -2.513 -18.197
  366    HA   ARG  42           HA       ARG  42 -12.745  -2.570 -20.774
  367    HB2  ARG  42           HB2      ARG  42 -12.449  -4.486 -18.972
  368    HB3  ARG  42           HB3      ARG  42 -13.948  -3.816 -18.344
  369    HG2  ARG  42           HG2      ARG  42 -13.784  -4.439 -21.245
  370    HG3  ARG  42           HG3      ARG  42 -13.946  -5.770 -20.098
  371    HD2  ARG  42           HD2      ARG  42 -15.765  -3.375 -20.083
  372    HD3  ARG  42           HD3      ARG  42 -16.098  -4.816 -21.043
  373    HE   ARG  42           HE       ARG  42 -15.607  -5.552 -18.369
  374   HH11  ARG  42          HH11      ARG  42 -17.999  -3.977 -20.347
  375   HH12  ARG  42          HH12      ARG  42 -19.326  -4.420 -19.325
  376   HH21  ARG  42          HH21      ARG  42 -17.345  -6.142 -17.015
  377   HH22  ARG  42          HH22      ARG  42 -18.953  -5.651 -17.429
  378    H    HIS  43           H        HIS  43 -13.694  -1.665 -17.459
  379    HA   HIS  43           HA       HIS  43 -16.122  -0.416 -18.405
  380    HB2  HIS  43           HB2      HIS  43 -15.873  -1.642 -16.189
  381    HB3  HIS  43           HB3      HIS  43 -14.963  -0.244 -15.624
  382    HD1  HIS  43           HD1      HIS  43 -16.368   2.105 -15.790
  383    HD2  HIS  43           HD2      HIS  43 -18.550  -1.431 -15.819
  384    HE1  HIS  43           HE1      HIS  43 -18.720   2.761 -15.188
  Start of MODEL    6
    1    HCN  FME   1           HF       FME   1  -2.415  -0.037   1.629
    2    HA   FME   1           HA       FME   1   0.567  -0.026  -1.372
    3    HB2  FME   1           HB2      FME   1   0.971   0.419   1.588
    4    HB3  FME   1           HB3      FME   1   1.469   1.371   0.146
    5    HG2  FME   1           HG2      FME   1   3.051  -0.693  -0.406
    6    HG3  FME   1           HG3      FME   1   2.796  -1.152   1.316
    7    HE1  FME   1           HE8      FME   1   2.659   0.456   3.078
    8    HE2  FME   1           HE2      FME   1   2.682   2.236   2.742
    9    HE3  FME   1           HE3      FME   1   4.124   1.432   3.503
   10    H    GLY   2           H        GLY   2   0.618  -1.712  -2.486
   11    HA2  GLY   2           HA2      GLY   2   2.065  -3.910  -1.967
   12    HA3  GLY   2           HA3      GLY   2   0.508  -4.352  -1.283
   13    H    ALA   3           H        ALA   3  -1.326  -3.498  -2.994
   14    HA   ALA   3           HA       ALA   3  -0.606  -4.822  -5.527
   15    HB1  ALA   3           HB1      ALA   3  -3.175  -4.806  -3.972
   16    HB2  ALA   3           HB2      ALA   3  -3.111  -5.266  -5.674
   17    HB3  ALA   3           HB3      ALA   3  -2.200  -6.187  -4.477
   18    H    ILE   4           H        ILE   4  -0.326  -1.970  -4.853
   19    HA   ILE   4           HA       ILE   4  -2.285  -0.805  -6.717
   20    HB   ILE   4           HB       ILE   4  -0.594   0.580  -4.632
   21   HG12  ILE   4          HG12      ILE   4  -2.460  -0.766  -3.713
   22   HG13  ILE   4          HG13      ILE   4  -2.693   0.960  -3.459
   23   HG21  ILE   4          HG21      ILE   4  -0.936   2.006  -6.559
   24   HG22  ILE   4          HG22      ILE   4  -2.668   1.682  -6.521
   25   HG23  ILE   4          HG23      ILE   4  -1.910   2.579  -5.205
   26   HD11  ILE   4          HD11      ILE   4  -3.906   0.229  -5.925
   27   HD12  ILE   4          HD12      ILE   4  -4.445  -0.880  -4.664
   28   HD13  ILE   4          HD13      ILE   4  -4.656   0.858  -4.459
   29    H    ALA   5           H        ALA   5   1.098  -1.309  -6.082
   30    HA   ALA   5           HA       ALA   5   2.166   0.553  -7.913
   31    HB1  ALA   5           HB1      ALA   5   3.481  -2.059  -7.243
   32    HB2  ALA   5           HB2      ALA   5   4.228  -0.498  -7.583
   33    HB3  ALA   5           HB3      ALA   5   3.367  -0.751  -6.065
   34    H    LYS   6           H        LYS   6   0.690  -2.547  -8.327
   35    HA   LYS   6           HA       LYS   6   1.756  -2.956 -10.986
   36    HB2  LYS   6           HB2      LYS   6  -0.246  -4.445  -9.297
   37    HB3  LYS   6           HB3      LYS   6   0.070  -4.879 -10.972
   38    HG2  LYS   6           HG2      LYS   6   1.504  -6.299  -9.927
   39    HG3  LYS   6           HG3      LYS   6   2.569  -4.906 -10.134
   40    HD2  LYS   6           HD2      LYS   6   1.905  -4.169  -7.833
   41    HD3  LYS   6           HD3      LYS   6   1.055  -5.706  -7.651
   42    HE2  LYS   6           HE2      LYS   6   4.002  -5.363  -8.202
   43    HE3  LYS   6           HE3      LYS   6   3.285  -5.788  -6.649
   44    HZ1  LYS   6           HZ1      LYS   6   2.247  -7.694  -8.132
   45    HZ2  LYS   6           HZ2      LYS   6   3.766  -7.852  -7.405
   46    HZ3  LYS   6           HZ3      LYS   6   3.650  -7.424  -9.037
   47    H    LEU   7           H        LEU   7  -1.117  -1.659  -9.500
   48    HA   LEU   7           HA       LEU   7  -2.642  -1.618 -11.945
   49    HB2  LEU   7           HB2      LEU   7  -3.286   0.010  -9.518
   50    HB3  LEU   7           HB3      LEU   7  -4.383  -0.707 -10.697
   51    HG   LEU   7           HG       LEU   7  -2.777  -2.312  -8.714
   52   HD11  LEU   7          HD11      LEU   7  -4.761  -2.471  -7.372
   53   HD12  LEU   7          HD12      LEU   7  -5.672  -1.498  -8.526
   54   HD13  LEU   7          HD13      LEU   7  -4.363  -0.768  -7.597
   55   HD21  LEU   7          HD21      LEU   7  -4.956  -3.773  -9.380
   56   HD22  LEU   7          HD22      LEU   7  -3.384  -3.917 -10.167
   57   HD23  LEU   7          HD23      LEU   7  -4.649  -2.925 -10.896
   58    H    VAL   8           H        VAL   8  -0.965   0.772  -9.927
   59    HA   VAL   8           HA       VAL   8  -1.594   3.023 -11.506
   60    HB   VAL   8           HB       VAL   8   0.777   2.582  -9.686
   61   HG11  VAL   8          HG11      VAL   8   0.006   4.807 -11.395
   62   HG12  VAL   8          HG12      VAL   8   0.195   5.274  -9.703
   63   HG13  VAL   8          HG13      VAL   8   1.527   4.496 -10.558
   64   HG21  VAL   8          HG21      VAL   8  -0.485   3.388  -7.930
   65   HG22  VAL   8          HG22      VAL   8  -1.641   4.194  -8.991
   66   HG23  VAL   8          HG23      VAL   8  -1.678   2.440  -8.819
   67    H    ALA   9           H        ALA   9   0.731   0.496 -11.875
   68    HA   ALA   9           HA       ALA   9   2.683   1.728 -13.428
   69    HB1  ALA   9           HB1      ALA   9   1.781  -1.016 -12.950
   70    HB2  ALA   9           HB2      ALA   9   2.563  -0.768 -14.511
   71    HB3  ALA   9           HB3      ALA   9   3.413  -0.352 -13.023
   72    H    LYS  10           H        LYS  10  -0.575   0.893 -14.203
   73    HA   LYS  10           HA       LYS  10  -0.080   1.560 -17.031
   74    HB2  LYS  10           HB2      LYS  10  -2.347  -0.071 -15.870
   75    HB3  LYS  10           HB3      LYS  10  -2.091   0.275 -17.576
   76    HG2  LYS  10           HG2      LYS  10   0.042  -1.107 -16.013
   77    HG3  LYS  10           HG3      LYS  10  -1.362  -2.012 -16.584
   78    HD2  LYS  10           HD2      LYS  10  -0.870  -1.081 -18.881
   79    HD3  LYS  10           HD3      LYS  10   0.661  -0.498 -18.225
   80    HE2  LYS  10           HE2      LYS  10   1.144  -2.857 -17.520
   81    HE3  LYS  10           HE3      LYS  10  -0.287  -3.352 -18.423
   82    HZ1  LYS  10           HZ1      LYS  10   1.209  -1.776 -20.134
   83    HZ2  LYS  10           HZ2      LYS  10   0.989  -3.451 -20.213
   84    HZ3  LYS  10           HZ3      LYS  10   2.316  -2.811 -19.382
   85    H    PHE  11           H        PHE  11  -2.179   2.065 -14.249
   86    HA   PHE  11           HA       PHE  11  -3.916   3.903 -15.591
   87    HB2  PHE  11           HB2      PHE  11  -3.498   3.392 -12.638
   88    HB3  PHE  11           HB3      PHE  11  -4.800   4.359 -13.324
   89    HD1  PHE  11           HD2      PHE  11  -5.555   2.698 -15.648
   90    HD2  PHE  11           HD1      PHE  11  -4.597   1.603 -11.648
   91    HE1  PHE  11           HE2      PHE  11  -6.937   0.675 -15.874
   92    HE2  PHE  11           HE1      PHE  11  -5.977  -0.422 -11.868
   93    HZ   PHE  11           HZ       PHE  11  -7.150  -0.887 -13.983
   94    H    GLY  12           H        GLY  12  -1.761   4.466 -12.801
   95    HA2  GLY  12           HA2      GLY  12   0.004   6.151 -12.969
   96    HA3  GLY  12           HA3      GLY  12  -1.073   7.074 -14.005
   97    H    TRP  13           H        TRP  13  -0.053   8.486 -12.053
   98    HA   TRP  13           HA       TRP  13  -1.416   8.361  -9.569
   99    HB2  TRP  13           HB2      TRP  13  -0.302  10.940 -10.591
  100    HB3  TRP  13           HB3      TRP  13  -0.211  10.241  -8.976
  101    HD1  TRP  13           HD1      TRP  13   1.960  10.968 -11.762
  102    HE1  TRP  13           HE1      TRP  13   4.086   9.518 -11.727
  103    HE3  TRP  13           HE3      TRP  13   0.463   7.415  -8.405
  104    HZ2  TRP  13           HZ2      TRP  13   5.006   7.177 -10.446
  105    HZ3  TRP  13           HZ3      TRP  13   2.026   5.604  -7.829
  106    HH2  TRP  13           HH2      TRP  13   4.250   5.489  -8.830
  107    HA   PRO  14           HA       PRO  14  -4.098  11.948 -11.424
  108    HB2  PRO  14           HB2      PRO  14  -4.035  12.236 -14.123
  109    HB3  PRO  14           HB3      PRO  14  -2.931  13.091 -13.039
  110    HG2  PRO  14           HG2      PRO  14  -2.464  10.608 -14.646
  111    HG3  PRO  14           HG3      PRO  14  -1.396  12.003 -14.406
  112    HD2  PRO  14           HD2      PRO  14  -1.090   9.683 -13.044
  113    HD3  PRO  14           HD3      PRO  14  -0.684  11.263 -12.343
  114    H    PHE  15           H        PHE  15  -3.738   8.784 -12.585
  115    HA   PHE  15           HA       PHE  15  -6.479   8.697 -13.632
  116    HB2  PHE  15           HB2      PHE  15  -4.290   7.674 -14.768
  117    HB3  PHE  15           HB3      PHE  15  -4.705   6.308 -13.738
  118    HD1  PHE  15           HD1      PHE  15  -6.977   5.264 -13.967
  119    HD2  PHE  15           HD2      PHE  15  -5.454   8.094 -16.758
  120    HE1  PHE  15           HE1      PHE  15  -8.635   4.517 -15.624
  121    HE2  PHE  15           HE2      PHE  15  -7.110   7.352 -18.419
  122    HZ   PHE  15           HZ       PHE  15  -8.704   5.562 -17.853
  123    H    ILE  16           H        ILE  16  -4.357   7.283 -11.201
  124    HA   ILE  16           HA       ILE  16  -6.334   5.474 -10.188
  125    HB   ILE  16           HB       ILE  16  -3.863   5.118  -9.967
  126   HG12  ILE  16          HG12      ILE  16  -4.658   5.032  -7.167
  127   HG13  ILE  16          HG13      ILE  16  -5.936   4.460  -8.233
  128   HG21  ILE  16          HG21      ILE  16  -3.380   7.490  -9.327
  129   HG22  ILE  16          HG22      ILE  16  -4.042   7.130  -7.734
  130   HG23  ILE  16          HG23      ILE  16  -2.607   6.278  -8.305
  131   HD11  ILE  16          HD11      ILE  16  -3.817   3.152  -9.263
  132   HD12  ILE  16          HD12      ILE  16  -3.349   3.253  -7.566
  133   HD13  ILE  16          HD13      ILE  16  -4.878   2.500  -8.015
  134    H    LYS  17           H        LYS  17  -5.358   8.752  -9.512
  135    HA   LYS  17           HA       LYS  17  -6.613   8.982  -6.971
  136    HB2  LYS  17           HB2      LYS  17  -6.185  11.316  -7.137
  137    HB3  LYS  17           HB3      LYS  17  -4.820  10.502  -7.890
  138    HG2  LYS  17           HG2      LYS  17  -5.775  10.945 -10.098
  139    HG3  LYS  17           HG3      LYS  17  -7.134  11.776  -9.336
  140    HD2  LYS  17           HD2      LYS  17  -5.262  13.204  -8.210
  141    HD3  LYS  17           HD3      LYS  17  -4.271  12.612  -9.546
  142    HE2  LYS  17           HE2      LYS  17  -5.148  14.640 -10.319
  143    HE3  LYS  17           HE3      LYS  17  -6.165  13.409 -11.066
  144    HZ1  LYS  17           HZ1      LYS  17  -7.955  14.072  -9.916
  145    HZ2  LYS  17           HZ2      LYS  17  -7.107  15.524  -9.737
  146    HZ3  LYS  17           HZ3      LYS  17  -7.086  14.375  -8.496
  147    H    LYS  18           H        LYS  18  -7.783   8.977 -10.192
  148    HA   LYS  18           HA       LYS  18 -10.145  10.519  -9.765
  149    HB2  LYS  18           HB2      LYS  18  -8.854   9.486 -11.970
  150    HB3  LYS  18           HB3      LYS  18 -10.296   8.485 -11.867
  151    HG2  LYS  18           HG2      LYS  18 -10.659  11.412 -11.614
  152    HG3  LYS  18           HG3      LYS  18 -10.234  10.776 -13.205
  153    HD2  LYS  18           HD2      LYS  18 -12.136   9.106 -12.849
  154    HD3  LYS  18           HD3      LYS  18 -12.640  10.149 -11.516
  155    HE2  LYS  18           HE2      LYS  18 -12.207  11.141 -14.326
  156    HE3  LYS  18           HE3      LYS  18 -13.767  10.578 -13.729
  157    HZ1  LYS  18           HZ1      LYS  18 -13.314  12.289 -11.856
  158    HZ2  LYS  18           HZ2      LYS  18 -13.895  12.823 -13.352
  159    HZ3  LYS  18           HZ3      LYS  18 -12.253  12.982 -12.978
  160    H    PHE  19           H        PHE  19  -9.236   7.251  -9.132
  161    HA   PHE  19           HA       PHE  19 -11.873   6.752  -7.991
  162    HB2  PHE  19           HB2      PHE  19 -10.584   5.071 -10.130
  163    HB3  PHE  19           HB3      PHE  19 -11.757   4.390  -9.008
  164    HD1  PHE  19           HD1      PHE  19 -14.085   5.208  -9.007
  165    HD2  PHE  19           HD2      PHE  19 -11.252   6.476 -11.920
  166    HE1  PHE  19           HE1      PHE  19 -15.919   6.012 -10.436
  167    HE2  PHE  19           HE2      PHE  19 -13.082   7.283 -13.353
  168    HZ   PHE  19           HZ       PHE  19 -15.419   7.053 -12.611
  169    H    TYR  20           H        TYR  20  -9.451   7.340  -6.708
  170    HA   TYR  20           HA       TYR  20  -8.054   5.022  -5.876
  171    HB2  TYR  20           HB2      TYR  20  -7.231   7.402  -5.706
  172    HB3  TYR  20           HB3      TYR  20  -8.320   7.609  -4.338
  173    HD1  TYR  20           HD1      TYR  20  -5.873   4.981  -5.403
  174    HD2  TYR  20           HD2      TYR  20  -7.219   7.586  -2.320
  175    HE1  TYR  20           HE1      TYR  20  -4.144   4.086  -3.900
  176    HE2  TYR  20           HE2      TYR  20  -5.493   6.699  -0.809
  177    HH   TYR  20           HH       TYR  20  -3.239   5.566  -1.053
  178    H    LYS  21           H        LYS  21 -11.024   6.494  -4.882
  179    HA   LYS  21           HA       LYS  21 -11.181   5.268  -2.308
  180    HB2  LYS  21           HB2      LYS  21 -12.478   7.324  -3.325
  181    HB3  LYS  21           HB3      LYS  21 -13.619   6.087  -3.836
  182    HG2  LYS  21           HG2      LYS  21 -14.494   6.733  -1.814
  183    HG3  LYS  21           HG3      LYS  21 -13.517   5.338  -1.350
  184    HD2  LYS  21           HD2      LYS  21 -11.733   6.778  -0.604
  185    HD3  LYS  21           HD3      LYS  21 -12.585   8.204  -1.201
  186    HE2  LYS  21           HE2      LYS  21 -13.472   6.378   1.030
  187    HE3  LYS  21           HE3      LYS  21 -12.847   8.018   1.201
  188    HZ1  LYS  21           HZ1      LYS  21 -15.454   7.127   0.173
  189    HZ2  LYS  21           HZ2      LYS  21 -14.816   8.603  -0.348
  190    HZ3  LYS  21           HZ3      LYS  21 -15.106   8.342   1.298
  191    H    GLN  22           H        GLN  22 -11.898   4.266  -5.540
  192    HA   GLN  22           HA       GLN  22 -13.455   1.973  -4.619
  193    HB2  GLN  22           HB2      GLN  22 -14.236   3.245  -6.591
  194    HB3  GLN  22           HB3      GLN  22 -12.748   2.829  -7.431
  195    HG2  GLN  22           HG2      GLN  22 -14.087   1.217  -8.277
  196    HG3  GLN  22           HG3      GLN  22 -13.537   0.374  -6.830
  197   HE21  GLN  22          HE21      GLN  22 -15.018  -0.381  -5.481
  198   HE22  GLN  22          HE22      GLN  22 -16.697   0.023  -5.500
  199    H    ILE  23           H        ILE  23 -10.518   2.649  -6.509
  200    HA   ILE  23           HA       ILE  23  -9.702   0.018  -6.920
  201    HB   ILE  23           HB       ILE  23  -7.965   2.461  -6.545
  202   HG12  ILE  23          HG12      ILE  23  -8.497   1.289  -9.218
  203   HG13  ILE  23          HG13      ILE  23  -9.838   2.135  -8.454
  204   HG21  ILE  23          HG21      ILE  23  -6.589   0.543  -6.284
  205   HG22  ILE  23          HG22      ILE  23  -7.359  -0.274  -7.643
  206   HG23  ILE  23          HG23      ILE  23  -6.336   1.134  -7.926
  207   HD11  ILE  23          HD11      ILE  23  -7.178   3.207  -9.301
  208   HD12  ILE  23          HD12      ILE  23  -8.795   3.763  -9.735
  209   HD13  ILE  23          HD13      ILE  23  -8.171   4.049  -8.111
  210    H    MET  24           H        MET  24  -8.476   2.262  -4.426
  211    HA   MET  24           HA       MET  24  -6.965   0.414  -3.005
  212    HB2  MET  24           HB2      MET  24  -6.918   2.891  -2.696
  213    HB3  MET  24           HB3      MET  24  -8.447   2.775  -1.836
  214    HG2  MET  24           HG2      MET  24  -6.919   2.841  -0.120
  215    HG3  MET  24           HG3      MET  24  -7.193   1.111  -0.312
  216    HE1  MET  24           HE1      MET  24  -4.650   3.097   0.891
  217    HE2  MET  24           HE2      MET  24  -4.809   1.392   1.311
  218    HE3  MET  24           HE3      MET  24  -3.307   1.990   0.606
  219    H    GLN  25           H        GLN  25 -10.392   0.900  -3.078
  220    HA   GLN  25           HA       GLN  25 -10.993  -0.410  -0.619
  221    HB2  GLN  25           HB2      GLN  25 -12.486   0.721  -2.874
  222    HB3  GLN  25           HB3      GLN  25 -13.255  -0.687  -2.154
  223    HG2  GLN  25           HG2      GLN  25 -12.401   1.788  -0.669
  224    HG3  GLN  25           HG3      GLN  25 -14.047   1.405  -1.172
  225   HE21  GLN  25          HE21      GLN  25 -13.182   1.893   1.485
  226   HE22  GLN  25          HE22      GLN  25 -13.451   0.450   2.396
  227    H    PHE  26           H        PHE  26 -10.704  -1.445  -3.972
  228    HA   PHE  26           HA       PHE  26 -11.780  -4.012  -3.729
  229    HB2  PHE  26           HB2      PHE  26  -9.659  -2.895  -5.561
  230    HB3  PHE  26           HB3      PHE  26 -10.261  -4.544  -5.702
  231    HD1  PHE  26           HD1      PHE  26 -13.117  -4.217  -5.208
  232    HD2  PHE  26           HD2      PHE  26 -10.429  -1.776  -7.428
  233    HE1  PHE  26           HE1      PHE  26 -14.990  -3.415  -6.587
  234    HE2  PHE  26           HE2      PHE  26 -12.298  -0.969  -8.810
  235    HZ   PHE  26           HZ       PHE  26 -14.582  -1.788  -8.390
  236    H    ILE  27           H        ILE  27  -8.627  -2.749  -2.896
  237    HA   ILE  27           HA       ILE  27  -7.119  -5.048  -2.687
  238    HB   ILE  27           HB       ILE  27  -7.067  -2.708  -0.777
  239   HG12  ILE  27          HG12      ILE  27  -5.543  -3.190  -3.347
  240   HG13  ILE  27          HG13      ILE  27  -6.831  -2.012  -3.120
  241   HG21  ILE  27          HG21      ILE  27  -5.656  -5.146  -0.735
  242   HG22  ILE  27          HG22      ILE  27  -4.518  -3.905  -1.257
  243   HG23  ILE  27          HG23      ILE  27  -5.390  -3.719   0.265
  244   HD11  ILE  27          HD11      ILE  27  -5.245  -0.546  -2.636
  245   HD12  ILE  27          HD12      ILE  27  -5.000  -1.424  -1.126
  246   HD13  ILE  27          HD13      ILE  27  -4.016  -1.806  -2.538
  247    H    GLY  28           H        GLY  28  -8.632  -3.503   0.152
  248    HA2  GLY  28           HA2      GLY  28  -8.378  -5.651   1.883
  249    HA3  GLY  28           HA3      GLY  28  -9.615  -4.409   2.019
  250    H    GLN  29           H        GLN  29 -10.957  -4.980  -0.432
  251    HA   GLN  29           HA       GLN  29 -12.838  -6.835   0.397
  252    HB2  GLN  29           HB2      GLN  29 -13.386  -5.262  -1.326
  253    HB3  GLN  29           HB3      GLN  29 -12.126  -5.889  -2.379
  254    HG2  GLN  29           HG2      GLN  29 -13.348  -7.714  -2.994
  255    HG3  GLN  29           HG3      GLN  29 -14.265  -7.745  -1.488
  256   HE21  GLN  29          HE21      GLN  29 -15.820  -5.960  -1.182
  257   HE22  GLN  29          HE22      GLN  29 -16.679  -5.384  -2.566
  258    H    GLY  30           H        GLY  30  -9.814  -7.325  -1.254
  259    HA2  GLY  30           HA2      GLY  30  -8.706  -9.450  -1.105
  260    HA3  GLY  30           HA3      GLY  30 -10.282 -10.228  -1.108
  261    H    TRP  31           H        TRP  31  -9.730  -7.652  -3.337
  262    HA   TRP  31           HA       TRP  31 -10.084  -9.469  -5.554
  263    HB2  TRP  31           HB2      TRP  31 -10.059  -6.505  -5.201
  264    HB3  TRP  31           HB3      TRP  31  -9.750  -7.155  -6.809
  265    HD1  TRP  31           HD1      TRP  31 -12.225  -8.988  -4.579
  266    HE1  TRP  31           HE1      TRP  31 -14.595  -8.692  -5.540
  267    HE3  TRP  31           HE3      TRP  31 -11.214  -5.498  -8.176
  268    HZ2  TRP  31           HZ2      TRP  31 -15.867  -7.181  -7.556
  269    HZ3  TRP  31           HZ3      TRP  31 -13.063  -4.680  -9.578
  270    HH2  TRP  31           HH2      TRP  31 -15.340  -5.505  -9.273
  271    H    THR  32           H        THR  32  -8.591 -10.088  -7.027
  272    HA   THR  32           HA       THR  32  -5.845  -9.938  -6.345
  273    HB   THR  32           HB       THR  32  -5.405 -11.168  -8.363
  274    HG1  THR  32           HG1      THR  32  -6.897 -11.327 -10.008
  275   HG21  THR  32          HG21      THR  32  -6.855 -12.153  -6.386
  276   HG22  THR  32          HG22      THR  32  -6.544 -13.092  -7.846
  277   HG23  THR  32          HG23      THR  32  -8.084 -12.257  -7.646
  278    H    ILE  33           H        ILE  33  -4.217  -9.337  -8.180
  279    HA   ILE  33           HA       ILE  33  -4.388  -6.525  -8.535
  280    HB   ILE  33           HB       ILE  33  -2.465  -8.465  -9.824
  281   HG12  ILE  33          HG12      ILE  33  -1.064  -7.219  -7.859
  282   HG13  ILE  33          HG13      ILE  33  -2.657  -7.300  -7.115
  283   HG21  ILE  33          HG21      ILE  33  -2.576  -6.269 -10.926
  284   HG22  ILE  33          HG22      ILE  33  -2.222  -5.492  -9.383
  285   HG23  ILE  33          HG23      ILE  33  -1.022  -6.542 -10.137
  286   HD11  ILE  33          HD11      ILE  33  -0.732  -9.284  -7.145
  287   HD12  ILE  33          HD12      ILE  33  -2.423  -9.459  -6.677
  288   HD13  ILE  33          HD13      ILE  33  -1.924  -9.815  -8.330
  289    H    ASP  34           H        ASP  34  -5.147  -9.268 -10.544
  290    HA   ASP  34           HA       ASP  34  -5.319  -7.742 -12.981
  291    HB2  ASP  34           HB2      ASP  34  -5.953 -10.573 -12.207
  292    HB3  ASP  34           HB3      ASP  34  -6.509  -9.929 -13.749
  293    H    GLN  35           H        GLN  35  -7.433  -8.606 -10.379
  294    HA   GLN  35           HA       GLN  35  -9.926  -8.406 -11.599
  295    HB2  GLN  35           HB2      GLN  35  -8.944  -7.906  -8.813
  296    HB3  GLN  35           HB3      GLN  35 -10.609  -7.527  -9.232
  297    HG2  GLN  35           HG2      GLN  35  -9.426 -10.224  -9.781
  298    HG3  GLN  35           HG3      GLN  35 -10.117  -9.812  -8.213
  299   HE21  GLN  35          HE21      GLN  35 -10.740 -10.892 -11.342
  300   HE22  GLN  35          HE22      GLN  35 -12.466 -10.843 -11.285
  301    H    ILE  36           H        ILE  36  -7.916  -5.867 -10.145
  302    HA   ILE  36           HA       ILE  36  -9.772  -3.773 -10.728
  303    HB   ILE  36           HB       ILE  36  -6.834  -3.605 -10.045
  304   HG12  ILE  36          HG12      ILE  36  -8.108  -2.750  -7.838
  305   HG13  ILE  36          HG13      ILE  36  -9.319  -3.878  -8.439
  306   HG21  ILE  36          HG21      ILE  36  -6.979  -1.432 -10.463
  307   HG22  ILE  36          HG22      ILE  36  -8.668  -1.613 -10.932
  308   HG23  ILE  36          HG23      ILE  36  -8.251  -1.296  -9.249
  309   HD11  ILE  36          HD11      ILE  36  -8.082  -5.675  -7.921
  310   HD12  ILE  36          HD12      ILE  36  -6.566  -4.899  -8.379
  311   HD13  ILE  36          HD13      ILE  36  -7.292  -4.557  -6.809
  312    H    GLU  37           H        GLU  37  -6.600  -4.649 -12.104
  313    HA   GLU  37           HA       GLU  37  -6.472  -2.765 -14.116
  314    HB2  GLU  37           HB2      GLU  37  -5.376  -5.528 -13.812
  315    HB3  GLU  37           HB3      GLU  37  -5.215  -4.720 -15.365
  316    HG2  GLU  37           HG2      GLU  37  -4.319  -3.457 -12.796
  317    HG3  GLU  37           HG3      GLU  37  -3.277  -4.507 -13.754
  318    H    LYS  38           H        LYS  38  -8.371  -5.681 -13.949
  319    HA   LYS  38           HA       LYS  38  -9.159  -5.483 -16.747
  320    HB2  LYS  38           HB2      LYS  38  -9.770  -7.469 -14.561
  321    HB3  LYS  38           HB3      LYS  38 -10.577  -7.513 -16.124
  322    HG2  LYS  38           HG2      LYS  38  -8.306  -7.674 -17.180
  323    HG3  LYS  38           HG3      LYS  38  -7.648  -7.887 -15.556
  324    HD2  LYS  38           HD2      LYS  38  -9.195  -9.833 -15.274
  325    HD3  LYS  38           HD3      LYS  38  -9.626  -9.665 -16.978
  326    HE2  LYS  38           HE2      LYS  38  -7.038  -9.771 -17.334
  327    HE3  LYS  38           HE3      LYS  38  -7.047 -10.529 -15.742
  328    HZ1  LYS  38           HZ1      LYS  38  -8.977 -11.570 -17.642
  329    HZ2  LYS  38           HZ2      LYS  38  -7.992 -12.390 -16.538
  330    HZ3  LYS  38           HZ3      LYS  38  -7.355 -11.873 -18.017
  331    H    TRP  39           H        TRP  39 -10.415  -4.859 -13.544
  332    HA   TRP  39           HA       TRP  39 -13.136  -4.567 -14.231
  333    HB2  TRP  39           HB2      TRP  39 -12.501  -4.832 -11.919
  334    HB3  TRP  39           HB3      TRP  39 -11.516  -3.372 -11.975
  335    HD1  TRP  39           HD1      TRP  39 -15.113  -4.545 -11.601
  336    HE1  TRP  39           HE1      TRP  39 -16.581  -2.540 -10.929
  337    HE3  TRP  39           HE3      TRP  39 -11.699  -0.791 -12.229
  338    HZ2  TRP  39           HZ2      TRP  39 -16.326   0.261 -10.696
  339    HZ3  TRP  39           HZ3      TRP  39 -12.391   1.523 -11.760
  340    HH2  TRP  39           HH2      TRP  39 -14.657   2.036 -11.010
  341    H    LEU  40           H        LEU  40 -10.424  -2.316 -14.219
  342    HA   LEU  40           HA       LEU  40 -12.161  -0.143 -15.110
  343    HB2  LEU  40           HB2      LEU  40 -10.595   0.445 -13.401
  344    HB3  LEU  40           HB3      LEU  40  -9.257  -0.239 -14.322
  345    HG   LEU  40           HG       LEU  40  -9.352   1.550 -15.912
  346   HD11  LEU  40          HD11      LEU  40 -11.783   1.804 -16.000
  347   HD12  LEU  40          HD12      LEU  40 -10.976   3.354 -15.764
  348   HD13  LEU  40          HD13      LEU  40 -11.762   2.553 -14.403
  349   HD21  LEU  40          HD21      LEU  40  -8.740   1.884 -13.207
  350   HD22  LEU  40          HD22      LEU  40  -9.629   3.335 -13.670
  351   HD23  LEU  40          HD23      LEU  40  -8.180   2.866 -14.560
  352    H    LYS  41           H        LYS  41  -9.438  -2.096 -16.215
  353    HA   LYS  41           HA       LYS  41  -8.468  -2.366 -18.260
  354    HB2  LYS  41           HB2      LYS  41 -11.374  -1.991 -18.859
  355    HB3  LYS  41           HB3      LYS  41 -10.235  -2.097 -20.195
  356    HG2  LYS  41           HG2      LYS  41  -9.758  -4.294 -19.801
  357    HG3  LYS  41           HG3      LYS  41 -10.117  -4.177 -18.077
  358    HD2  LYS  41           HD2      LYS  41 -11.915  -5.403 -18.853
  359    HD3  LYS  41           HD3      LYS  41 -12.557  -3.759 -18.893
  360    HE2  LYS  41           HE2      LYS  41 -11.717  -3.716 -21.323
  361    HE3  LYS  41           HE3      LYS  41 -11.605  -5.469 -21.169
  362    HZ1  LYS  41           HZ1      LYS  41 -13.788  -4.244 -22.000
  363    HZ2  LYS  41           HZ2      LYS  41 -14.112  -4.237 -20.340
  364    HZ3  LYS  41           HZ3      LYS  41 -13.838  -5.702 -21.142
  365    H    ARG  42           H        ARG  42  -8.417   0.318 -17.092
  366    HA   ARG  42           HA       ARG  42  -7.822   2.450 -17.623
  367    HB2  ARG  42           HB2      ARG  42  -6.122   0.984 -18.905
  368    HB3  ARG  42           HB3      ARG  42  -7.033   1.435 -20.340
  369    HG2  ARG  42           HG2      ARG  42  -6.663   3.865 -19.439
  370    HG3  ARG  42           HG3      ARG  42  -5.322   3.111 -18.574
  371    HD2  ARG  42           HD2      ARG  42  -5.774   2.916 -21.549
  372    HD3  ARG  42           HD3      ARG  42  -4.681   4.064 -20.775
  373    HE   ARG  42           HE       ARG  42  -3.952   1.551 -19.876
  374   HH11  ARG  42          HH11      ARG  42  -4.130   3.239 -22.916
  375   HH12  ARG  42          HH12      ARG  42  -2.825   2.353 -23.633
  376   HH21  ARG  42          HH21      ARG  42  -2.233   0.378 -20.809
  377   HH22  ARG  42          HH22      ARG  42  -1.747   0.726 -22.434
  378    H    HIS  43           H        HIS  43 -10.489   2.065 -17.916
  379    HA   HIS  43           HA       HIS  43 -11.686   2.565 -20.352
  380    HB2  HIS  43           HB2      HIS  43 -12.414   3.036 -17.521
  381    HB3  HIS  43           HB3      HIS  43 -13.315   3.969 -18.713
  382    HD1  HIS  43           HD1      HIS  43 -12.265   0.607 -19.807
  383    HD2  HIS  43           HD2      HIS  43 -15.571   2.355 -17.997
  384    HE1  HIS  43           HE1      HIS  43 -14.112  -1.089 -19.998
  Start of MODEL    7
    1    HCN  FME   1           HF       FME   1  -2.309  -3.215   3.643
    2    HA   FME   1           HA       FME   1  -1.764  -1.429   0.598
    3    HB2  FME   1           HB2      FME   1  -1.144   1.002   0.580
    4    HB3  FME   1           HB3      FME   1  -0.704   0.843   2.317
    5    HG2  FME   1           HG2      FME   1  -3.031   0.244   2.925
    6    HG3  FME   1           HG3      FME   1  -3.530   0.223   1.195
    7    HE1  FME   1           HE8      FME   1  -4.947   3.518   3.204
    8    HE2  FME   1           HE2      FME   1  -4.289   2.077   4.083
    9    HE3  FME   1           HE3      FME   1  -5.377   1.851   2.644
   10    H    GLY   2           H        GLY   2  -0.277  -3.168   0.173
   11    HA2  GLY   2           HA2      GLY   2   2.242  -1.989  -0.818
   12    HA3  GLY   2           HA3      GLY   2   2.203  -3.593  -0.102
   13    H    ALA   3           H        ALA   3  -0.515  -2.684  -1.992
   14    HA   ALA   3           HA       ALA   3   0.558  -4.113  -4.328
   15    HB1  ALA   3           HB1      ALA   3  -2.293  -4.555  -3.676
   16    HB2  ALA   3           HB2      ALA   3  -1.110  -5.646  -4.398
   17    HB3  ALA   3           HB3      ALA   3  -1.105  -5.367  -2.656
   18    H    ILE   4           H        ILE   4   0.481  -1.370  -4.166
   19    HA   ILE   4           HA       ILE   4  -1.848  -0.628  -5.808
   20    HB   ILE   4           HB       ILE   4  -0.015   1.264  -4.339
   21   HG12  ILE   4          HG12      ILE   4  -1.209  -0.220  -2.759
   22   HG13  ILE   4          HG13      ILE   4  -1.752   1.450  -2.640
   23   HG21  ILE   4          HG21      ILE   4  -2.051   1.618  -6.296
   24   HG22  ILE   4          HG22      ILE   4  -2.610   2.304  -4.771
   25   HG23  ILE   4          HG23      ILE   4  -1.084   2.842  -5.473
   26   HD11  ILE   4          HD11      ILE   4  -3.219  -0.520  -4.343
   27   HD12  ILE   4          HD12      ILE   4  -3.500  -0.424  -2.605
   28   HD13  ILE   4          HD13      ILE   4  -3.797   0.984  -3.625
   29    H    ALA   5           H        ALA   5   1.663  -0.386  -5.532
   30    HA   ALA   5           HA       ALA   5   2.217   1.183  -7.752
   31    HB1  ALA   5           HB1      ALA   5   3.954  -1.148  -7.028
   32    HB2  ALA   5           HB2      ALA   5   4.419   0.462  -7.581
   33    HB3  ALA   5           HB3      ALA   5   3.797   0.237  -5.946
   34    H    LYS   6           H        LYS   6   1.401  -2.222  -7.551
   35    HA   LYS   6           HA       LYS   6   2.173  -3.087 -10.074
   36    HB2  LYS   6           HB2      LYS   6   0.126  -3.930  -8.094
   37    HB3  LYS   6           HB3      LYS   6  -0.052  -4.547  -9.732
   38    HG2  LYS   6           HG2      LYS   6   1.845  -5.812  -9.612
   39    HG3  LYS   6           HG3      LYS   6   2.612  -4.750  -8.429
   40    HD2  LYS   6           HD2      LYS   6   0.153  -6.163  -7.573
   41    HD3  LYS   6           HD3      LYS   6   1.603  -7.145  -7.795
   42    HE2  LYS   6           HE2      LYS   6   2.829  -5.743  -6.252
   43    HE3  LYS   6           HE3      LYS   6   1.450  -4.656  -6.097
   44    HZ1  LYS   6           HZ1      LYS   6   1.225  -5.969  -4.248
   45    HZ2  LYS   6           HZ2      LYS   6   1.812  -7.361  -5.008
   46    HZ3  LYS   6           HZ3      LYS   6   0.247  -6.812  -5.342
   47    H    LEU   7           H        LEU   7  -0.900  -1.611  -9.071
   48    HA   LEU   7           HA       LEU   7  -1.930  -1.595 -11.758
   49    HB2  LEU   7           HB2      LEU   7  -3.034   0.015  -9.486
   50    HB3  LEU   7           HB3      LEU   7  -3.885  -0.678 -10.864
   51    HG   LEU   7           HG       LEU   7  -2.671  -2.345  -8.668
   52   HD11  LEU   7          HD11      LEU   7  -5.202  -2.563  -8.075
   53   HD12  LEU   7          HD12      LEU   7  -5.318  -0.982  -8.848
   54   HD13  LEU   7          HD13      LEU   7  -4.258  -1.207  -7.457
   55   HD21  LEU   7          HD21      LEU   7  -4.705  -3.771  -9.693
   56   HD22  LEU   7          HD22      LEU   7  -3.048  -3.872 -10.288
   57   HD23  LEU   7          HD23      LEU   7  -4.225  -2.858 -11.123
   58    H    VAL   8           H        VAL   8  -0.251   0.624  -9.654
   59    HA   VAL   8           HA       VAL   8  -0.793   2.998 -11.113
   60    HB   VAL   8           HB       VAL   8   1.546   2.379  -9.303
   61   HG11  VAL   8          HG11      VAL   8   0.894   4.679 -10.915
   62   HG12  VAL   8          HG12      VAL   8   0.936   5.097  -9.202
   63   HG13  VAL   8          HG13      VAL   8   2.340   4.349  -9.963
   64   HG21  VAL   8          HG21      VAL   8   0.219   2.695  -7.538
   65   HG22  VAL   8          HG22      VAL   8  -0.531   4.119  -8.260
   66   HG23  VAL   8          HG23      VAL   8  -1.138   2.510  -8.651
   67    H    ALA   9           H        ALA   9   1.477   0.404 -11.507
   68    HA   ALA   9           HA       ALA   9   3.469   1.631 -13.012
   69    HB1  ALA   9           HB1      ALA   9   2.495  -1.117 -12.635
   70    HB2  ALA   9           HB2      ALA   9   3.373  -0.827 -14.138
   71    HB3  ALA   9           HB3      ALA   9   4.137  -0.475 -12.588
   72    H    LYS  10           H        LYS  10   0.210   0.853 -13.848
   73    HA   LYS  10           HA       LYS  10   0.757   1.510 -16.667
   74    HB2  LYS  10           HB2      LYS  10  -1.703   0.120 -15.606
   75    HB3  LYS  10           HB3      LYS  10  -1.187   0.263 -17.282
   76    HG2  LYS  10           HG2      LYS  10   0.907  -1.044 -16.474
   77    HG3  LYS  10           HG3      LYS  10  -0.129  -1.501 -15.120
   78    HD2  LYS  10           HD2      LYS  10  -1.665  -2.592 -16.525
   79    HD3  LYS  10           HD3      LYS  10  -1.015  -1.820 -17.974
   80    HE2  LYS  10           HE2      LYS  10   1.183  -3.079 -17.233
   81    HE3  LYS  10           HE3      LYS  10   0.030  -4.128 -16.409
   82    HZ1  LYS  10           HZ1      LYS  10  -0.764  -3.566 -19.092
   83    HZ2  LYS  10           HZ2      LYS  10  -0.555  -5.058 -18.324
   84    HZ3  LYS  10           HZ3      LYS  10   0.768  -4.281 -19.036
   85    H    PHE  11           H        PHE  11  -1.372   2.129 -13.922
   86    HA   PHE  11           HA       PHE  11  -2.933   4.097 -15.309
   87    HB2  PHE  11           HB2      PHE  11  -2.712   3.459 -12.360
   88    HB3  PHE  11           HB3      PHE  11  -3.893   4.558 -13.065
   89    HD1  PHE  11           HD1      PHE  11  -4.664   3.064 -15.492
   90    HD2  PHE  11           HD2      PHE  11  -3.999   1.726 -11.506
   91    HE1  PHE  11           HE1      PHE  11  -6.193   1.175 -15.874
   92    HE2  PHE  11           HE2      PHE  11  -5.526  -0.166 -11.883
   93    HZ   PHE  11           HZ       PHE  11  -6.625  -0.444 -14.069
   94    H    GLY  12           H        GLY  12  -1.007   4.499 -12.336
   95    HA2  GLY  12           HA2      GLY  12   0.905   6.053 -12.374
   96    HA3  GLY  12           HA3      GLY  12  -0.053   7.070 -13.440
   97    H    TRP  13           H        TRP  13   0.911   8.390 -11.418
   98    HA   TRP  13           HA       TRP  13  -0.577   8.272  -9.005
   99    HB2  TRP  13           HB2      TRP  13   0.711  10.814  -9.910
  100    HB3  TRP  13           HB3      TRP  13   0.681  10.082  -8.308
  101    HD1  TRP  13           HD1      TRP  13   3.036  10.761 -10.949
  102    HE1  TRP  13           HE1      TRP  13   5.082   9.203 -10.839
  103    HE3  TRP  13           HE3      TRP  13   1.179   7.204  -7.780
  104    HZ2  TRP  13           HZ2      TRP  13   5.812   6.787  -9.576
  105    HZ3  TRP  13           HZ3      TRP  13   2.616   5.302  -7.171
  106    HH2  TRP  13           HH2      TRP  13   4.884   5.099  -8.052
  107    HA   PRO  14           HA       PRO  14  -2.989  12.025 -10.902
  108    HB2  PRO  14           HB2      PRO  14  -2.777  12.369 -13.586
  109    HB3  PRO  14           HB3      PRO  14  -1.689  13.145 -12.429
  110    HG2  PRO  14           HG2      PRO  14  -1.260  10.679 -14.070
  111    HG3  PRO  14           HG3      PRO  14  -0.141  12.015 -13.745
  112    HD2  PRO  14           HD2      PRO  14  -0.014   9.653 -12.426
  113    HD3  PRO  14           HD3      PRO  14   0.431  11.196 -11.668
  114    H    PHE  15           H        PHE  15  -2.722   8.874 -12.119
  115    HA   PHE  15           HA       PHE  15  -5.407   8.942 -13.301
  116    HB2  PHE  15           HB2      PHE  15  -3.277   7.876 -14.421
  117    HB3  PHE  15           HB3      PHE  15  -3.659   6.515 -13.371
  118    HD1  PHE  15           HD1      PHE  15  -5.672   5.210 -13.706
  119    HD2  PHE  15           HD2      PHE  15  -4.711   8.474 -16.263
  120    HE1  PHE  15           HE1      PHE  15  -7.333   4.416 -15.338
  121    HE2  PHE  15           HE2      PHE  15  -6.372   7.687 -17.898
  122    HZ   PHE  15           HZ       PHE  15  -7.686   5.656 -17.436
  123    H    ILE  16           H        ILE  16  -3.467   7.306 -10.847
  124    HA   ILE  16           HA       ILE  16  -5.565   5.585  -9.967
  125    HB   ILE  16           HB       ILE  16  -3.127   5.135  -9.614
  126   HG12  ILE  16          HG12      ILE  16  -4.286   5.112  -6.887
  127   HG13  ILE  16          HG13      ILE  16  -5.251   4.349  -8.146
  128   HG21  ILE  16          HG21      ILE  16  -2.621   7.491  -8.891
  129   HG22  ILE  16          HG22      ILE  16  -3.345   7.087  -7.336
  130   HG23  ILE  16          HG23      ILE  16  -1.911   6.224  -7.890
  131   HD11  ILE  16          HD11      ILE  16  -3.956   2.639  -7.209
  132   HD12  ILE  16          HD12      ILE  16  -3.167   3.036  -8.736
  133   HD13  ILE  16          HD13      ILE  16  -2.495   3.627  -7.216
  134    H    LYS  17           H        LYS  17  -4.714   8.859  -9.347
  135    HA   LYS  17           HA       LYS  17  -6.049   9.066  -6.811
  136    HB2  LYS  17           HB2      LYS  17  -5.661  11.468  -7.034
  137    HB3  LYS  17           HB3      LYS  17  -4.196  10.564  -7.395
  138    HG2  LYS  17           HG2      LYS  17  -4.060  11.815  -9.227
  139    HG3  LYS  17           HG3      LYS  17  -5.376  10.824  -9.862
  140    HD2  LYS  17           HD2      LYS  17  -6.242  12.931 -10.159
  141    HD3  LYS  17           HD3      LYS  17  -6.876  12.539  -8.559
  142    HE2  LYS  17           HE2      LYS  17  -4.772  13.673  -7.650
  143    HE3  LYS  17           HE3      LYS  17  -4.563  14.317  -9.278
  144    HZ1  LYS  17           HZ1      LYS  17  -6.099  15.850  -8.897
  145    HZ2  LYS  17           HZ2      LYS  17  -6.110  15.382  -7.272
  146    HZ3  LYS  17           HZ3      LYS  17  -7.222  14.707  -8.354
  147    H    LYS  18           H        LYS  18  -7.114   8.803  -9.967
  148    HA   LYS  18           HA       LYS  18  -9.485  10.458  -9.610
  149    HB2  LYS  18           HB2      LYS  18  -8.556   8.753 -11.927
  150    HB3  LYS  18           HB3      LYS  18 -10.028   9.716 -11.931
  151    HG2  LYS  18           HG2      LYS  18  -8.729  11.749 -11.683
  152    HG3  LYS  18           HG3      LYS  18  -7.239  10.806 -11.602
  153    HD2  LYS  18           HD2      LYS  18  -7.227  11.391 -13.817
  154    HD3  LYS  18           HD3      LYS  18  -8.109   9.864 -13.905
  155    HE2  LYS  18           HE2      LYS  18  -9.448  11.251 -15.169
  156    HE3  LYS  18           HE3      LYS  18 -10.206  11.375 -13.582
  157    HZ1  LYS  18           HZ1      LYS  18  -9.799  13.521 -14.830
  158    HZ2  LYS  18           HZ2      LYS  18  -8.156  13.304 -14.493
  159    HZ3  LYS  18           HZ3      LYS  18  -9.263  13.471 -13.226
  160    H    PHE  19           H        PHE  19  -8.501   7.146  -9.411
  161    HA   PHE  19           HA       PHE  19 -11.259   6.409  -8.713
  162    HB2  PHE  19           HB2      PHE  19  -9.381   4.951 -10.563
  163    HB3  PHE  19           HB3      PHE  19 -10.711   4.127  -9.756
  164    HD1  PHE  19           HD1      PHE  19 -10.086   7.179 -11.807
  165    HD2  PHE  19           HD2      PHE  19 -12.711   3.962 -10.867
  166    HE1  PHE  19           HE1      PHE  19 -11.614   7.909 -13.592
  167    HE2  PHE  19           HE2      PHE  19 -14.243   4.687 -12.651
  168    HZ   PHE  19           HZ       PHE  19 -13.695   6.661 -14.017
  169    H    TYR  20           H        TYR  20  -8.853   7.101  -7.136
  170    HA   TYR  20           HA       TYR  20  -7.714   4.768  -6.022
  171    HB2  TYR  20           HB2      TYR  20  -7.330   7.512  -5.757
  172    HB3  TYR  20           HB3      TYR  20  -7.862   6.998  -4.160
  173    HD1  TYR  20           HD1      TYR  20  -6.674   4.296  -4.001
  174    HD2  TYR  20           HD2      TYR  20  -5.050   7.933  -5.497
  175    HE1  TYR  20           HE1      TYR  20  -4.407   3.481  -3.505
  176    HE2  TYR  20           HE2      TYR  20  -2.779   7.128  -5.007
  177    HH   TYR  20           HH       TYR  20  -1.813   5.316  -3.229
  178    H    LYS  21           H        LYS  21 -10.707   6.416  -5.484
  179    HA   LYS  21           HA       LYS  21 -11.285   5.470  -2.888
  180    HB2  LYS  21           HB2      LYS  21 -12.480   7.334  -4.044
  181    HB3  LYS  21           HB3      LYS  21 -13.251   6.144  -5.084
  182    HG2  LYS  21           HG2      LYS  21 -14.328   5.130  -3.154
  183    HG3  LYS  21           HG3      LYS  21 -13.525   6.284  -2.087
  184    HD2  LYS  21           HD2      LYS  21 -15.191   7.289  -4.353
  185    HD3  LYS  21           HD3      LYS  21 -15.982   6.705  -2.887
  186    HE2  LYS  21           HE2      LYS  21 -14.692   8.287  -1.552
  187    HE3  LYS  21           HE3      LYS  21 -13.862   8.850  -3.002
  188    HZ1  LYS  21           HZ1      LYS  21 -16.157   9.425  -3.857
  189    HZ2  LYS  21           HZ2      LYS  21 -15.552  10.396  -2.611
  190    HZ3  LYS  21           HZ3      LYS  21 -16.706   9.206  -2.272
  191    H    GLN  22           H        GLN  22 -11.660   4.068  -6.074
  192    HA   GLN  22           HA       GLN  22 -13.083   1.766  -4.971
  193    HB2  GLN  22           HB2      GLN  22 -12.332   2.282  -7.849
  194    HB3  GLN  22           HB3      GLN  22 -13.493   1.106  -7.247
  195    HG2  GLN  22           HG2      GLN  22 -15.112   2.595  -7.416
  196    HG3  GLN  22           HG3      GLN  22 -14.264   3.668  -6.305
  197   HE21  GLN  22          HE21      GLN  22 -15.868   4.064  -8.836
  198   HE22  GLN  22          HE22      GLN  22 -14.867   5.076  -9.815
  199    H    ILE  23           H        ILE  23 -10.137   2.499  -6.818
  200    HA   ILE  23           HA       ILE  23  -9.091  -0.040  -7.064
  201    HB   ILE  23           HB       ILE  23  -7.559   2.511  -6.546
  202   HG12  ILE  23          HG12      ILE  23  -7.900   1.237  -9.233
  203   HG13  ILE  23          HG13      ILE  23  -9.210   2.212  -8.578
  204   HG21  ILE  23          HG21      ILE  23  -6.123   0.637  -6.144
  205   HG22  ILE  23          HG22      ILE  23  -6.665  -0.157  -7.623
  206   HG23  ILE  23          HG23      ILE  23  -5.708   1.322  -7.715
  207   HD11  ILE  23          HD11      ILE  23  -6.439   3.051  -9.326
  208   HD12  ILE  23          HD12      ILE  23  -7.985   3.692  -9.882
  209   HD13  ILE  23          HD13      ILE  23  -7.434   4.020  -8.239
  210    H    MET  24           H        MET  24  -8.351   2.278  -4.451
  211    HA   MET  24           HA       MET  24  -6.811   0.566  -2.889
  212    HB2  MET  24           HB2      MET  24  -6.857   2.935  -2.445
  213    HB3  MET  24           HB3      MET  24  -8.575   2.879  -2.076
  214    HG2  MET  24           HG2      MET  24  -8.126   1.529  -0.106
  215    HG3  MET  24           HG3      MET  24  -6.405   1.532  -0.485
  216    HE1  MET  24           HE1      MET  24  -9.117   4.855   0.821
  217    HE2  MET  24           HE2      MET  24  -9.444   3.141   0.564
  218    HE3  MET  24           HE3      MET  24  -8.764   3.688   2.096
  219    H    GLN  25           H        GLN  25 -10.237   0.706  -3.336
  220    HA   GLN  25           HA       GLN  25 -10.857  -0.818  -0.963
  221    HB2  GLN  25           HB2      GLN  25 -12.406   0.388  -3.200
  222    HB3  GLN  25           HB3      GLN  25 -13.138  -0.958  -2.335
  223    HG2  GLN  25           HG2      GLN  25 -12.105   1.543  -1.020
  224    HG3  GLN  25           HG3      GLN  25 -13.786   1.275  -1.479
  225   HE21  GLN  25          HE21      GLN  25 -14.937  -0.441  -0.444
  226   HE22  GLN  25          HE22      GLN  25 -14.483  -0.962   1.139
  227    H    PHE  26           H        PHE  26 -10.192  -1.432  -4.317
  228    HA   PHE  26           HA       PHE  26 -11.277  -4.076  -4.379
  229    HB2  PHE  26           HB2      PHE  26  -9.418  -2.545  -6.188
  230    HB3  PHE  26           HB3      PHE  26  -9.803  -4.238  -6.480
  231    HD1  PHE  26           HD1      PHE  26 -12.611  -4.441  -5.889
  232    HD2  PHE  26           HD2      PHE  26 -10.481  -1.282  -7.787
  233    HE1  PHE  26           HE1      PHE  26 -14.663  -3.771  -7.069
  234    HE2  PHE  26           HE2      PHE  26 -12.530  -0.606  -8.969
  235    HZ   PHE  26           HZ       PHE  26 -14.625  -1.850  -8.611
  236    H    ILE  27           H        ILE  27  -8.063  -2.705  -3.858
  237    HA   ILE  27           HA       ILE  27  -6.591  -5.081  -3.847
  238    HB   ILE  27           HB       ILE  27  -6.081  -2.577  -2.236
  239   HG12  ILE  27          HG12      ILE  27  -6.232  -2.113  -4.626
  240   HG13  ILE  27          HG13      ILE  27  -4.559  -1.988  -4.092
  241   HG21  ILE  27          HG21      ILE  27  -4.438  -5.014  -2.789
  242   HG22  ILE  27          HG22      ILE  27  -3.661  -3.456  -2.516
  243   HG23  ILE  27          HG23      ILE  27  -4.691  -4.158  -1.269
  244   HD11  ILE  27          HD11      ILE  27  -5.827  -4.226  -5.644
  245   HD12  ILE  27          HD12      ILE  27  -4.571  -3.109  -6.179
  246   HD13  ILE  27          HD13      ILE  27  -4.212  -4.313  -4.941
  247    H    GLY  28           H        GLY  28  -7.843  -3.265  -1.034
  248    HA2  GLY  28           HA2      GLY  28  -7.181  -5.245   0.864
  249    HA3  GLY  28           HA3      GLY  28  -8.344  -3.948   1.099
  250    H    GLN  29           H        GLN  29  -9.756  -5.060  -1.398
  251    HA   GLN  29           HA       GLN  29 -11.619  -6.675   0.051
  252    HB2  GLN  29           HB2      GLN  29 -12.489  -5.212  -1.628
  253    HB3  GLN  29           HB3      GLN  29 -11.423  -5.885  -2.854
  254    HG2  GLN  29           HG2      GLN  29 -12.730  -7.702  -3.199
  255    HG3  GLN  29           HG3      GLN  29 -13.297  -7.750  -1.531
  256   HE21  GLN  29          HE21      GLN  29 -15.083  -6.562  -0.939
  257   HE22  GLN  29          HE22      GLN  29 -16.134  -5.814  -2.089
  258    H    GLY  30           H        GLY  30  -8.900  -7.290  -2.006
  259    HA2  GLY  30           HA2      GLY  30  -7.817  -9.443  -1.871
  260    HA3  GLY  30           HA3      GLY  30  -9.404 -10.179  -1.708
  261    H    TRP  31           H        TRP  31  -8.994  -7.666  -4.040
  262    HA   TRP  31           HA       TRP  31  -9.575  -9.538  -6.171
  263    HB2  TRP  31           HB2      TRP  31  -9.591  -6.581  -5.853
  264    HB3  TRP  31           HB3      TRP  31  -9.334  -7.212  -7.477
  265    HD1  TRP  31           HD1      TRP  31 -11.647  -9.141  -5.160
  266    HE1  TRP  31           HE1      TRP  31 -14.065  -8.914  -6.010
  267    HE3  TRP  31           HE3      TRP  31 -10.910  -5.586  -8.759
  268    HZ2  TRP  31           HZ2      TRP  31 -15.474  -7.424  -7.950
  269    HZ3  TRP  31           HZ3      TRP  31 -12.845  -4.814 -10.068
  270    HH2  TRP  31           HH2      TRP  31 -15.079  -5.716  -9.671
  271    H    THR  32           H        THR  32  -8.238 -10.141  -7.804
  272    HA   THR  32           HA       THR  32  -5.463 -10.114  -7.393
  273    HB   THR  32           HB       THR  32  -5.237 -11.186  -9.509
  274    HG1  THR  32           HG1      THR  32  -7.320 -11.219 -10.840
  275   HG21  THR  32          HG21      THR  32  -6.487 -12.413  -7.691
  276   HG22  THR  32          HG22      THR  32  -6.770 -12.999  -9.330
  277   HG23  THR  32          HG23      THR  32  -7.975 -11.986  -8.535
  278    H    ILE  33           H        ILE  33  -3.953  -9.397  -9.291
  279    HA   ILE  33           HA       ILE  33  -4.039  -6.549  -9.359
  280    HB   ILE  33           HB       ILE  33  -2.238  -8.420 -10.902
  281   HG12  ILE  33          HG12      ILE  33  -0.694  -7.419  -8.924
  282   HG13  ILE  33          HG13      ILE  33  -2.249  -7.454  -8.100
  283   HG21  ILE  33          HG21      ILE  33  -2.328  -6.139 -11.810
  284   HG22  ILE  33          HG22      ILE  33  -1.891  -5.502 -10.225
  285   HG23  ILE  33          HG23      ILE  33  -0.752  -6.513 -11.114
  286   HD11  ILE  33          HD11      ILE  33  -2.124  -9.645  -7.810
  287   HD12  ILE  33          HD12      ILE  33  -1.755  -9.918  -9.514
  288   HD13  ILE  33          HD13      ILE  33  -0.458  -9.546  -8.378
  289    H    ASP  34           H        ASP  34  -4.732  -9.099 -11.685
  290    HA   ASP  34           HA       ASP  34  -5.054  -7.342 -13.914
  291    HB2  ASP  34           HB2      ASP  34  -5.917 -10.201 -13.451
  292    HB3  ASP  34           HB3      ASP  34  -6.134  -9.352 -14.979
  293    H    GLN  35           H        GLN  35  -7.089  -8.423 -11.332
  294    HA   GLN  35           HA       GLN  35  -9.621  -8.098 -12.431
  295    HB2  GLN  35           HB2      GLN  35  -8.483  -7.990  -9.692
  296    HB3  GLN  35           HB3      GLN  35 -10.082  -7.293  -9.913
  297    HG2  GLN  35           HG2      GLN  35  -9.381 -10.070 -10.814
  298    HG3  GLN  35           HG3      GLN  35  -9.995  -9.709  -9.201
  299   HE21  GLN  35          HE21      GLN  35 -11.451 -11.405 -10.568
  300   HE22  GLN  35          HE22      GLN  35 -12.889 -10.679 -11.191
  301    H    ILE  36           H        ILE  36  -7.626  -5.693 -10.723
  302    HA   ILE  36           HA       ILE  36  -9.463  -3.558 -11.178
  303    HB   ILE  36           HB       ILE  36  -6.543  -3.447 -10.410
  304   HG12  ILE  36          HG12      ILE  36  -7.882  -2.794  -8.169
  305   HG13  ILE  36          HG13      ILE  36  -9.061  -3.879  -8.898
  306   HG21  ILE  36          HG21      ILE  36  -6.700  -1.250 -10.680
  307   HG22  ILE  36          HG22      ILE  36  -8.400  -1.387 -11.126
  308   HG23  ILE  36          HG23      ILE  36  -7.944  -1.219  -9.431
  309   HD11  ILE  36          HD11      ILE  36  -7.902  -5.652  -8.267
  310   HD12  ILE  36          HD12      ILE  36  -6.431  -5.025  -9.012
  311   HD13  ILE  36          HD13      ILE  36  -6.847  -4.567  -7.361
  312    H    GLU  37           H        GLU  37  -6.312  -4.410 -12.602
  313    HA   GLU  37           HA       GLU  37  -6.057  -2.332 -14.401
  314    HB2  GLU  37           HB2      GLU  37  -5.209  -5.219 -14.610
  315    HB3  GLU  37           HB3      GLU  37  -4.773  -4.015 -15.815
  316    HG2  GLU  37           HG2      GLU  37  -3.850  -2.686 -13.796
  317    HG3  GLU  37           HG3      GLU  37  -3.894  -4.243 -12.972
  318    H    LYS  38           H        LYS  38  -8.117  -5.140 -14.556
  319    HA   LYS  38           HA       LYS  38  -8.898  -4.535 -17.306
  320    HB2  LYS  38           HB2      LYS  38  -9.592  -6.817 -15.453
  321    HB3  LYS  38           HB3      LYS  38 -10.290  -6.622 -17.055
  322    HG2  LYS  38           HG2      LYS  38  -8.103  -6.825 -18.069
  323    HG3  LYS  38           HG3      LYS  38  -7.350  -6.924 -16.475
  324    HD2  LYS  38           HD2      LYS  38  -8.696  -8.977 -16.043
  325    HD3  LYS  38           HD3      LYS  38  -9.262  -8.902 -17.713
  326    HE2  LYS  38           HE2      LYS  38  -6.346  -8.991 -16.981
  327    HE3  LYS  38           HE3      LYS  38  -7.305 -10.445 -17.250
  328    HZ1  LYS  38           HZ1      LYS  38  -7.538  -8.478 -19.342
  329    HZ2  LYS  38           HZ2      LYS  38  -7.275 -10.145 -19.450
  330    HZ3  LYS  38           HZ3      LYS  38  -5.975  -9.100 -19.166
  331    H    TRP  39           H        TRP  39 -10.017  -4.212 -14.045
  332    HA   TRP  39           HA       TRP  39 -12.777  -3.825 -14.657
  333    HB2  TRP  39           HB2      TRP  39 -12.138  -4.510 -12.427
  334    HB3  TRP  39           HB3      TRP  39 -11.138  -3.073 -12.229
  335    HD1  TRP  39           HD1      TRP  39 -14.728  -4.273 -12.002
  336    HE1  TRP  39           HE1      TRP  39 -16.184  -2.394 -11.016
  337    HE3  TRP  39           HE3      TRP  39 -11.323  -0.461 -12.118
  338    HZ2  TRP  39           HZ2      TRP  39 -15.924   0.342 -10.372
  339    HZ3  TRP  39           HZ3      TRP  39 -12.007   1.756 -11.299
  340    HH2  TRP  39           HH2      TRP  39 -14.260   2.147 -10.445
  341    H    LEU  40           H        LEU  40 -10.001  -1.690 -14.250
  342    HA   LEU  40           HA       LEU  40 -11.307   0.765 -14.189
  343    HB2  LEU  40           HB2      LEU  40  -8.718  -0.044 -14.152
  344    HB3  LEU  40           HB3      LEU  40  -8.819   0.683 -15.754
  345    HG   LEU  40           HG       LEU  40  -7.999   2.341 -14.259
  346   HD11  LEU  40          HD11      LEU  40 -10.108   2.753 -15.859
  347   HD12  LEU  40          HD12      LEU  40  -9.351   4.030 -14.906
  348   HD13  LEU  40          HD13      LEU  40 -10.811   3.237 -14.315
  349   HD21  LEU  40          HD21      LEU  40  -8.582   1.492 -12.132
  350   HD22  LEU  40          HD22      LEU  40 -10.306   1.540 -12.502
  351   HD23  LEU  40          HD23      LEU  40  -9.408   3.043 -12.283
  352    H    LYS  41           H        LYS  41 -10.064  -1.022 -17.004
  353    HA   LYS  41           HA       LYS  41 -11.405   0.830 -18.807
  354    HB2  LYS  41           HB2      LYS  41  -9.803  -1.622 -19.536
  355    HB3  LYS  41           HB3      LYS  41 -10.224  -0.271 -20.579
  356    HG2  LYS  41           HG2      LYS  41  -8.856   1.177 -19.003
  357    HG3  LYS  41           HG3      LYS  41  -8.250  -0.334 -18.321
  358    HD2  LYS  41           HD2      LYS  41  -8.128   0.269 -21.265
  359    HD3  LYS  41           HD3      LYS  41  -6.847   0.747 -20.148
  360    HE2  LYS  41           HE2      LYS  41  -6.514  -1.571 -19.505
  361    HE3  LYS  41           HE3      LYS  41  -7.846  -2.072 -20.546
  362    HZ1  LYS  41           HZ1      LYS  41  -5.413  -0.704 -21.550
  363    HZ2  LYS  41           HZ2      LYS  41  -6.623  -1.453 -22.465
  364    HZ3  LYS  41           HZ3      LYS  41  -5.586  -2.387 -21.509
  365    H    ARG  42           H        ARG  42 -13.273  -0.423 -17.317
  366    HA   ARG  42           HA       ARG  42 -14.509  -2.259 -19.254
  367    HB2  ARG  42           HB2      ARG  42 -13.575  -3.238 -16.981
  368    HB3  ARG  42           HB3      ARG  42 -15.080  -2.591 -16.343
  369    HG2  ARG  42           HG2      ARG  42 -15.196  -4.284 -18.781
  370    HG3  ARG  42           HG3      ARG  42 -14.906  -5.061 -17.224
  371    HD2  ARG  42           HD2      ARG  42 -16.967  -4.439 -16.382
  372    HD3  ARG  42           HD3      ARG  42 -17.131  -3.089 -17.504
  373    HE   ARG  42           HE       ARG  42 -18.109  -4.510 -19.003
  374   HH11  ARG  42          HH11      ARG  42 -16.432  -6.386 -16.597
  375   HH12  ARG  42          HH12      ARG  42 -17.044  -7.904 -17.165
  376   HH21  ARG  42          HH21      ARG  42 -18.922  -6.502 -19.761
  377   HH22  ARG  42          HH22      ARG  42 -18.460  -7.969 -18.965
  378    H    HIS  43           H        HIS  43 -14.994   0.035 -16.609
  379    HA   HIS  43           HA       HIS  43 -17.752   0.244 -16.639
  380    HB2  HIS  43           HB2      HIS  43 -17.479   2.427 -15.635
  381    HB3  HIS  43           HB3      HIS  43 -16.238   1.351 -14.998
  382    HD1  HIS  43           HD1      HIS  43 -15.959   4.456 -14.989
  383    HD2  HIS  43           HD2      HIS  43 -14.357   1.924 -17.866
  384    HE1  HIS  43           HE1      HIS  43 -14.042   5.725 -16.009
  Start of MODEL    8
    1    HCN  FME   1           HF       FME   1   2.284  -1.408   3.421
    2    HA   FME   1           HA       FME   1   1.689  -1.308  -0.767
    3    HB2  FME   1           HB2      FME   1   2.684  -3.912   0.456
    4    HB3  FME   1           HB3      FME   1   3.760  -2.499   0.172
    5    HG2  FME   1           HG2      FME   1   2.890  -2.499  -2.294
    6    HG3  FME   1           HG3      FME   1   2.188  -4.119  -1.942
    7    HE1  FME   1           HE8      FME   1   5.206  -1.879  -2.435
    8    HE2  FME   1           HE2      FME   1   4.865  -2.865  -3.916
    9    HE3  FME   1           HE3      FME   1   6.448  -3.050  -3.040
   10    H    GLY   2           H        GLY   2  -0.338  -1.045  -1.088
   11    HA2  GLY   2           HA2      GLY   2  -2.128  -3.251  -0.282
   12    HA3  GLY   2           HA3      GLY   2  -2.661  -1.604  -0.589
   13    H    ALA   3           H        ALA   3  -0.477  -3.633  -2.506
   14    HA   ALA   3           HA       ALA   3  -0.510  -4.209  -4.712
   15    HB1  ALA   3           HB1      ALA   3  -3.390  -4.618  -3.951
   16    HB2  ALA   3           HB2      ALA   3  -2.746  -5.062  -5.533
   17    HB3  ALA   3           HB3      ALA   3  -2.109  -5.825  -4.076
   18    H    ILE   4           H        ILE   4  -0.715  -1.400  -4.132
   19    HA   ILE   4           HA       ILE   4  -2.491  -0.403  -6.240
   20    HB   ILE   4           HB       ILE   4  -0.916   1.128  -4.166
   21   HG12  ILE   4          HG12      ILE   4  -2.767  -0.211  -3.226
   22   HG13  ILE   4          HG13      ILE   4  -3.073   1.517  -3.095
   23   HG21  ILE   4          HG21      ILE   4  -2.253   1.952  -6.588
   24   HG22  ILE   4          HG22      ILE   4  -2.963   2.722  -5.170
   25   HG23  ILE   4          HG23      ILE   4  -1.237   2.886  -5.491
   26   HD11  ILE   4          HD11      ILE   4  -4.276  -0.392  -5.081
   27   HD12  ILE   4          HD12      ILE   4  -5.091   0.422  -3.745
   28   HD13  ILE   4          HD13      ILE   4  -4.498   1.357  -5.117
   29    H    ALA   5           H        ALA   5   0.893  -0.603  -5.322
   30    HA   ALA   5           HA       ALA   5   2.011   1.115  -7.208
   31    HB1  ALA   5           HB1      ALA   5   3.152  -1.438  -6.080
   32    HB2  ALA   5           HB2      ALA   5   4.072  -0.198  -6.933
   33    HB3  ALA   5           HB3      ALA   5   3.308   0.177  -5.388
   34    H    LYS   6           H        LYS   6   1.218  -2.334  -7.476
   35    HA   LYS   6           HA       LYS   6   2.248  -2.771 -10.037
   36    HB2  LYS   6           HB2      LYS   6  -0.167  -4.082  -8.775
   37    HB3  LYS   6           HB3      LYS   6   0.768  -4.715 -10.123
   38    HG2  LYS   6           HG2      LYS   6   2.246  -4.124  -7.631
   39    HG3  LYS   6           HG3      LYS   6   1.139  -5.498  -7.606
   40    HD2  LYS   6           HD2      LYS   6   2.271  -6.297  -9.715
   41    HD3  LYS   6           HD3      LYS   6   3.484  -5.044  -9.443
   42    HE2  LYS   6           HE2      LYS   6   3.714  -6.086  -7.098
   43    HE3  LYS   6           HE3      LYS   6   2.873  -7.471  -7.790
   44    HZ1  LYS   6           HZ1      LYS   6   5.502  -7.213  -7.839
   45    HZ2  LYS   6           HZ2      LYS   6   5.138  -6.441  -9.299
   46    HZ3  LYS   6           HZ3      LYS   6   4.645  -8.039  -9.041
   47    H    LEU   7           H        LEU   7  -0.705  -1.255  -8.985
   48    HA   LEU   7           HA       LEU   7  -1.889  -1.282 -11.625
   49    HB2  LEU   7           HB2      LEU   7  -2.852   0.405  -9.350
   50    HB3  LEU   7           HB3      LEU   7  -3.777  -0.327 -10.660
   51    HG   LEU   7           HG       LEU   7  -2.497  -1.910  -8.437
   52   HD11  LEU   7          HD11      LEU   7  -5.300  -1.905  -8.198
   53   HD12  LEU   7          HD12      LEU   7  -4.799  -0.221  -8.347
   54   HD13  LEU   7          HD13      LEU   7  -4.112  -1.236  -7.079
   55   HD21  LEU   7          HD21      LEU   7  -4.466  -3.446  -9.287
   56   HD22  LEU   7          HD22      LEU   7  -2.891  -3.447 -10.081
   57   HD23  LEU   7          HD23      LEU   7  -4.228  -2.529 -10.775
   58    H    VAL   8           H        VAL   8  -0.421   1.091  -9.441
   59    HA   VAL   8           HA       VAL   8  -0.788   3.327 -11.142
   60    HB   VAL   8           HB       VAL   8   1.275   2.914  -8.972
   61   HG11  VAL   8          HG11      VAL   8   0.633   5.611  -9.155
   62   HG12  VAL   8          HG12      VAL   8   2.128   4.842  -9.690
   63   HG13  VAL   8          HG13      VAL   8   0.802   5.082 -10.828
   64   HG21  VAL   8          HG21      VAL   8  -0.542   2.886  -7.657
   65   HG22  VAL   8          HG22      VAL   8  -0.610   4.619  -7.977
   66   HG23  VAL   8          HG23      VAL   8  -1.593   3.507  -8.930
   67    H    ALA   9           H        ALA   9   1.541   0.771 -11.054
   68    HA   ALA   9           HA       ALA   9   3.735   1.923 -12.300
   69    HB1  ALA   9           HB1      ALA   9   2.677  -0.806 -12.001
   70    HB2  ALA   9           HB2      ALA   9   3.791  -0.563 -13.347
   71    HB3  ALA   9           HB3      ALA   9   4.297  -0.174 -11.703
   72    H    LYS  10           H        LYS  10   0.634   1.098 -13.597
   73    HA   LYS  10           HA       LYS  10   1.598   1.715 -16.312
   74    HB2  LYS  10           HB2      LYS  10  -0.942   0.248 -15.594
   75    HB3  LYS  10           HB3      LYS  10  -0.224   0.419 -17.191
   76    HG2  LYS  10           HG2      LYS  10   1.111  -1.027 -14.916
   77    HG3  LYS  10           HG3      LYS  10   0.084  -1.816 -16.115
   78    HD2  LYS  10           HD2      LYS  10   1.741  -0.494 -17.756
   79    HD3  LYS  10           HD3      LYS  10   2.819  -0.716 -16.377
   80    HE2  LYS  10           HE2      LYS  10   1.249  -2.961 -17.626
   81    HE3  LYS  10           HE3      LYS  10   2.883  -2.531 -18.130
   82    HZ1  LYS  10           HZ1      LYS  10   1.972  -3.822 -15.680
   83    HZ2  LYS  10           HZ2      LYS  10   3.268  -2.745 -15.533
   84    HZ3  LYS  10           HZ3      LYS  10   3.387  -4.073 -16.574
   85    H    PHE  11           H        PHE  11  -1.007   2.264 -13.984
   86    HA   PHE  11           HA       PHE  11  -2.401   4.147 -15.606
   87    HB2  PHE  11           HB2      PHE  11  -2.517   3.689 -12.618
   88    HB3  PHE  11           HB3      PHE  11  -3.661   4.655 -13.544
   89    HD1  PHE  11           HD2      PHE  11  -4.019   2.945 -15.928
   90    HD2  PHE  11           HD1      PHE  11  -3.805   1.940 -11.798
   91    HE1  PHE  11           HE2      PHE  11  -5.372   0.935 -16.351
   92    HE2  PHE  11           HE1      PHE  11  -5.158  -0.072 -12.214
   93    HZ   PHE  11           HZ       PHE  11  -5.945  -0.577 -14.493
   94    H    GLY  12           H        GLY  12  -0.896   4.777 -12.440
   95    HA2  GLY  12           HA2      GLY  12   1.008   6.414 -12.458
   96    HA3  GLY  12           HA3      GLY  12  -0.007   7.382 -13.517
   97    H    TRP  13           H        TRP  13   0.870   8.677 -11.407
   98    HA   TRP  13           HA       TRP  13  -0.674   8.409  -9.046
   99    HB2  TRP  13           HB2      TRP  13   0.484  11.051  -9.818
  100    HB3  TRP  13           HB3      TRP  13   0.483  10.240  -8.255
  101    HD1  TRP  13           HD1      TRP  13   2.792  11.146 -10.895
  102    HE1  TRP  13           HE1      TRP  13   4.937   9.726 -10.809
  103    HE3  TRP  13           HE3      TRP  13   1.184   7.433  -7.770
  104    HZ2  TRP  13           HZ2      TRP  13   5.830   7.347  -9.580
  105    HZ3  TRP  13           HZ3      TRP  13   2.745   5.622  -7.190
  106    HH2  TRP  13           HH2      TRP  13   5.019   5.581  -8.078
  107    HA   PRO  14           HA       PRO  14  -3.236  12.091 -10.882
  108    HB2  PRO  14           HB2      PRO  14  -2.973  12.540 -13.547
  109    HB3  PRO  14           HB3      PRO  14  -1.959  13.332 -12.334
  110    HG2  PRO  14           HG2      PRO  14  -1.356  10.951 -14.045
  111    HG3  PRO  14           HG3      PRO  14  -0.318  12.332 -13.644
  112    HD2  PRO  14           HD2      PRO  14  -0.099   9.936 -12.403
  113    HD3  PRO  14           HD3      PRO  14   0.243  11.472 -11.580
  114    H    PHE  15           H        PHE  15  -2.768   9.003 -12.195
  115    HA   PHE  15           HA       PHE  15  -5.423   8.971 -13.446
  116    HB2  PHE  15           HB2      PHE  15  -3.209   8.063 -14.546
  117    HB3  PHE  15           HB3      PHE  15  -3.545   6.644 -13.559
  118    HD1  PHE  15           HD2      PHE  15  -5.511   5.274 -13.979
  119    HD2  PHE  15           HD1      PHE  15  -4.591   8.636 -16.422
  120    HE1  PHE  15           HE2      PHE  15  -7.086   4.460 -15.686
  121    HE2  PHE  15           HE1      PHE  15  -6.166   7.828 -18.132
  122    HZ   PHE  15           HZ       PHE  15  -7.415   5.737 -17.765
  123    H    ILE  16           H        ILE  16  -3.492   7.493 -10.914
  124    HA   ILE  16           HA       ILE  16  -5.525   5.597 -10.172
  125    HB   ILE  16           HB       ILE  16  -3.069   5.219  -9.813
  126   HG12  ILE  16          HG12      ILE  16  -3.594   4.612  -7.211
  127   HG13  ILE  16          HG13      ILE  16  -5.226   4.828  -7.836
  128   HG21  ILE  16          HG21      ILE  16  -2.609   7.524  -8.988
  129   HG22  ILE  16          HG22      ILE  16  -3.419   7.095  -7.482
  130   HG23  ILE  16          HG23      ILE  16  -1.948   6.250  -7.965
  131   HD11  ILE  16          HD11      ILE  16  -3.967   3.265  -9.742
  132   HD12  ILE  16          HD12      ILE  16  -3.384   2.641  -8.199
  133   HD13  ILE  16          HD13      ILE  16  -5.116   2.726  -8.518
  134    H    LYS  17           H        LYS  17  -4.593   8.823  -9.238
  135    HA   LYS  17           HA       LYS  17  -6.054   8.882  -6.786
  136    HB2  LYS  17           HB2      LYS  17  -5.527  11.195  -6.702
  137    HB3  LYS  17           HB3      LYS  17  -4.130  10.402  -7.417
  138    HG2  LYS  17           HG2      LYS  17  -4.982  11.052  -9.658
  139    HG3  LYS  17           HG3      LYS  17  -6.260  11.967  -8.856
  140    HD2  LYS  17           HD2      LYS  17  -3.312  12.413  -8.400
  141    HD3  LYS  17           HD3      LYS  17  -4.290  13.339  -9.541
  142    HE2  LYS  17           HE2      LYS  17  -4.933  13.109  -6.608
  143    HE3  LYS  17           HE3      LYS  17  -3.946  14.404  -7.285
  144    HZ1  LYS  17           HZ1      LYS  17  -6.811  13.988  -7.438
  145    HZ2  LYS  17           HZ2      LYS  17  -6.083  14.510  -8.872
  146    HZ3  LYS  17           HZ3      LYS  17  -5.922  15.427  -7.460
  147    H    LYS  18           H        LYS  18  -6.911   9.156 -10.085
  148    HA   LYS  18           HA       LYS  18  -9.275  10.735  -9.720
  149    HB2  LYS  18           HB2      LYS  18  -8.139  10.692 -11.876
  150    HB3  LYS  18           HB3      LYS  18  -8.406   8.959 -12.008
  151    HG2  LYS  18           HG2      LYS  18 -10.798   9.306 -12.147
  152    HG3  LYS  18           HG3      LYS  18 -10.579  11.043 -11.923
  153    HD2  LYS  18           HD2      LYS  18  -9.116  10.965 -14.007
  154    HD3  LYS  18           HD3      LYS  18  -9.764   9.344 -14.268
  155    HE2  LYS  18           HE2      LYS  18 -11.095  10.840 -15.546
  156    HE3  LYS  18           HE3      LYS  18 -12.060  10.353 -14.153
  157    HZ1  LYS  18           HZ1      LYS  18 -12.213  12.449 -13.491
  158    HZ2  LYS  18           HZ2      LYS  18 -11.508  12.922 -14.954
  159    HZ3  LYS  18           HZ3      LYS  18 -10.540  12.687 -13.586
  160    H    PHE  19           H        PHE  19  -8.470   7.375  -9.487
  161    HA   PHE  19           HA       PHE  19 -11.280   6.786  -8.856
  162    HB2  PHE  19           HB2      PHE  19  -9.441   5.298 -10.701
  163    HB3  PHE  19           HB3      PHE  19 -10.712   4.436  -9.840
  164    HD1  PHE  19           HD2      PHE  19 -13.083   5.011 -10.247
  165    HD2  PHE  19           HD1      PHE  19  -9.925   6.691 -12.553
  166    HE1  PHE  19           HE2      PHE  19 -14.704   5.680 -11.972
  167    HE2  PHE  19           HE1      PHE  19 -11.541   7.364 -14.282
  168    HZ   PHE  19           HZ       PHE  19 -13.934   6.858 -13.993
  169    H    TYR  20           H        TYR  20  -8.907   7.382  -7.204
  170    HA   TYR  20           HA       TYR  20  -7.862   5.047  -6.041
  171    HB2  TYR  20           HB2      TYR  20  -6.944   7.371  -5.778
  172    HB3  TYR  20           HB3      TYR  20  -8.265   7.708  -4.666
  173    HD1  TYR  20           HD1      TYR  20  -5.418   5.358  -5.185
  174    HD2  TYR  20           HD2      TYR  20  -8.003   7.267  -2.396
  175    HE1  TYR  20           HE1      TYR  20  -4.080   4.449  -3.332
  176    HE2  TYR  20           HE2      TYR  20  -6.672   6.364  -0.536
  177    HH   TYR  20           HH       TYR  20  -3.631   5.100  -0.894
  178    H    LYS  21           H        LYS  21 -10.871   6.715  -5.606
  179    HA   LYS  21           HA       LYS  21 -11.566   5.630  -3.078
  180    HB2  LYS  21           HB2      LYS  21 -12.607   7.642  -4.247
  181    HB3  LYS  21           HB3      LYS  21 -13.511   6.487  -5.218
  182    HG2  LYS  21           HG2      LYS  21 -15.021   6.930  -3.563
  183    HG3  LYS  21           HG3      LYS  21 -14.198   5.525  -2.882
  184    HD2  LYS  21           HD2      LYS  21 -12.645   7.241  -1.759
  185    HD3  LYS  21           HD3      LYS  21 -13.896   8.422  -2.156
  186    HE2  LYS  21           HE2      LYS  21 -14.549   5.875  -0.710
  187    HE3  LYS  21           HE3      LYS  21 -13.964   7.295   0.155
  188    HZ1  LYS  21           HZ1      LYS  21 -15.845   8.498  -0.374
  189    HZ2  LYS  21           HZ2      LYS  21 -16.482   6.954  -0.112
  190    HZ3  LYS  21           HZ3      LYS  21 -16.251   7.516  -1.691
  191    H    GLN  22           H        GLN  22 -11.898   4.506  -6.376
  192    HA   GLN  22           HA       GLN  22 -13.551   2.253  -5.575
  193    HB2  GLN  22           HB2      GLN  22 -13.695   3.617  -7.797
  194    HB3  GLN  22           HB3      GLN  22 -12.368   2.584  -8.310
  195    HG2  GLN  22           HG2      GLN  22 -14.095   1.343  -9.076
  196    HG3  GLN  22           HG3      GLN  22 -13.996   0.688  -7.442
  197   HE21  GLN  22          HE21      GLN  22 -16.062   1.798  -9.714
  198   HE22  GLN  22          HE22      GLN  22 -17.379   2.287  -8.708
  199    H    ILE  23           H        ILE  23 -10.341   2.789  -7.009
  200    HA   ILE  23           HA       ILE  23  -9.509   0.143  -7.159
  201    HB   ILE  23           HB       ILE  23  -7.816   2.574  -6.568
  202   HG12  ILE  23          HG12      ILE  23  -7.889   1.327  -9.256
  203   HG13  ILE  23          HG13      ILE  23  -9.339   2.196  -8.765
  204   HG21  ILE  23          HG21      ILE  23  -6.578   0.603  -6.011
  205   HG22  ILE  23          HG22      ILE  23  -7.068  -0.188  -7.508
  206   HG23  ILE  23          HG23      ILE  23  -5.985   1.203  -7.560
  207   HD11  ILE  23          HD11      ILE  23  -6.745   3.205  -9.589
  208   HD12  ILE  23          HD12      ILE  23  -8.317   4.004  -9.551
  209   HD13  ILE  23          HD13      ILE  23  -7.328   3.935  -8.093
  210    H    MET  24           H        MET  24  -8.719   2.466  -4.562
  211    HA   MET  24           HA       MET  24  -7.504   0.655  -2.837
  212    HB2  MET  24           HB2      MET  24  -7.490   3.152  -2.622
  213    HB3  MET  24           HB3      MET  24  -9.135   3.060  -2.008
  214    HG2  MET  24           HG2      MET  24  -7.953   1.333  -0.344
  215    HG3  MET  24           HG3      MET  24  -6.579   2.374  -0.707
  216    HE1  MET  24           HE1      MET  24  -8.249   1.546   1.805
  217    HE2  MET  24           HE2      MET  24  -7.264   2.816   2.531
  218    HE3  MET  24           HE3      MET  24  -9.023   2.881   2.660
  219    H    GLN  25           H        GLN  25 -10.855   1.169  -3.534
  220    HA   GLN  25           HA       GLN  25 -11.863  -0.102  -1.171
  221    HB2  GLN  25           HB2      GLN  25 -12.990   1.051  -3.643
  222    HB3  GLN  25           HB3      GLN  25 -13.923  -0.260  -2.933
  223    HG2  GLN  25           HG2      GLN  25 -14.051   0.937  -0.829
  224    HG3  GLN  25           HG3      GLN  25 -13.056   2.234  -1.488
  225   HE21  GLN  25          HE21      GLN  25 -15.382   2.963  -0.459
  226   HE22  GLN  25          HE22      GLN  25 -16.528   3.360  -1.689
  227    H    PHE  26           H        PHE  26 -10.774  -1.150  -4.284
  228    HA   PHE  26           HA       PHE  26 -12.071  -3.708  -4.213
  229    HB2  PHE  26           HB2      PHE  26  -9.875  -2.554  -5.929
  230    HB3  PHE  26           HB3      PHE  26 -10.438  -4.213  -6.104
  231    HD1  PHE  26           HD2      PHE  26 -13.315  -3.965  -5.781
  232    HD2  PHE  26           HD1      PHE  26 -10.573  -1.420  -7.811
  233    HE1  PHE  26           HE2      PHE  26 -15.127  -3.195  -7.255
  234    HE2  PHE  26           HE1      PHE  26 -12.382  -0.644  -9.288
  235    HZ   PHE  26           HZ       PHE  26 -14.662  -1.533  -9.012
  236    H    ILE  27           H        ILE  27  -8.933  -2.430  -3.296
  237    HA   ILE  27           HA       ILE  27  -7.545  -4.827  -2.938
  238    HB   ILE  27           HB       ILE  27  -7.237  -2.321  -1.282
  239   HG12  ILE  27          HG12      ILE  27  -7.116  -1.779  -3.654
  240   HG13  ILE  27          HG13      ILE  27  -5.509  -1.692  -2.939
  241   HG21  ILE  27          HG21      ILE  27  -6.025  -4.791  -1.001
  242   HG22  ILE  27          HG22      ILE  27  -4.845  -3.839  -1.900
  243   HG23  ILE  27          HG23      ILE  27  -5.445  -3.260  -0.347
  244   HD11  ILE  27          HD11      ILE  27  -5.729  -4.301  -3.856
  245   HD12  ILE  27          HD12      ILE  27  -6.471  -3.312  -5.114
  246   HD13  ILE  27          HD13      ILE  27  -4.818  -2.984  -4.594
  247    H    GLY  28           H        GLY  28  -9.567  -2.994  -0.662
  248    HA2  GLY  28           HA2      GLY  28  -9.155  -4.755   1.531
  249    HA3  GLY  28           HA3      GLY  28 -10.438  -3.562   1.389
  250    H    GLN  29           H        GLN  29 -11.146  -4.952  -1.260
  251    HA   GLN  29           HA       GLN  29 -13.089  -6.732  -0.089
  252    HB2  GLN  29           HB2      GLN  29 -13.857  -5.337  -1.871
  253    HB3  GLN  29           HB3      GLN  29 -12.548  -5.855  -2.924
  254    HG2  GLN  29           HG2      GLN  29 -14.603  -6.896  -3.606
  255    HG3  GLN  29           HG3      GLN  29 -13.502  -8.117  -2.968
  256   HE21  GLN  29          HE21      GLN  29 -16.597  -6.857  -2.844
  257   HE22  GLN  29          HE22      GLN  29 -17.146  -7.651  -1.411
  258    H    GLY  30           H        GLY  30 -10.074  -6.999  -1.812
  259    HA2  GLY  30           HA2      GLY  30  -8.790  -9.040  -1.475
  260    HA3  GLY  30           HA3      GLY  30 -10.297  -9.935  -1.601
  261    H    TRP  31           H        TRP  31  -9.773  -7.311  -3.778
  262    HA   TRP  31           HA       TRP  31  -9.900  -9.083  -6.031
  263    HB2  TRP  31           HB2      TRP  31  -9.790  -6.114  -5.662
  264    HB3  TRP  31           HB3      TRP  31  -9.462  -6.796  -7.252
  265    HD1  TRP  31           HD1      TRP  31 -12.096  -8.443  -5.046
  266    HE1  TRP  31           HE1      TRP  31 -14.414  -8.069  -6.098
  267    HE3  TRP  31           HE3      TRP  31 -10.791  -5.152  -8.734
  268    HZ2  TRP  31           HZ2      TRP  31 -15.541  -6.576  -8.212
  269    HZ3  TRP  31           HZ3      TRP  31 -12.549  -4.299 -10.229
  270    HH2  TRP  31           HH2      TRP  31 -14.874  -4.998  -9.972
  271    H    THR  32           H        THR  32  -8.299  -9.754  -7.348
  272    HA   THR  32           HA       THR  32  -5.611  -9.610  -6.452
  273    HB   THR  32           HB       THR  32  -5.111 -10.679  -8.720
  274    HG1  THR  32           HG1      THR  32  -7.917 -11.033  -8.861
  275   HG21  THR  32          HG21      THR  32  -6.152 -11.721  -6.358
  276   HG22  THR  32          HG22      THR  32  -5.350 -12.622  -7.645
  277   HG23  THR  32          HG23      THR  32  -7.107 -12.473  -7.634
  278    H    ILE  33           H        ILE  33  -3.821  -9.032  -8.089
  279    HA   ILE  33           HA       ILE  33  -3.948  -6.250  -8.569
  280    HB   ILE  33           HB       ILE  33  -1.953  -8.259  -9.622
  281   HG12  ILE  33          HG12      ILE  33  -1.598  -6.409  -7.271
  282   HG13  ILE  33          HG13      ILE  33  -2.289  -8.017  -7.083
  283   HG21  ILE  33          HG21      ILE  33  -1.880  -6.211 -10.904
  284   HG22  ILE  33          HG22      ILE  33  -1.812  -5.254  -9.425
  285   HG23  ILE  33          HG23      ILE  33  -0.464  -6.306  -9.857
  286   HD11  ILE  33          HD11      ILE  33  -0.222  -8.947  -8.103
  287   HD12  ILE  33          HD12      ILE  33   0.461  -7.321  -8.073
  288   HD13  ILE  33          HD13      ILE  33   0.031  -8.125  -6.564
  289    H    ASP  34           H        ASP  34  -4.711  -9.012 -10.508
  290    HA   ASP  34           HA       ASP  34  -4.635  -7.568 -13.012
  291    HB2  ASP  34           HB2      ASP  34  -5.378 -10.362 -12.202
  292    HB3  ASP  34           HB3      ASP  34  -5.815  -9.756 -13.797
  293    H    GLN  35           H        GLN  35  -6.944  -8.323 -10.543
  294    HA   GLN  35           HA       GLN  35  -9.334  -8.080 -11.968
  295    HB2  GLN  35           HB2      GLN  35  -8.569  -7.632  -9.107
  296    HB3  GLN  35           HB3      GLN  35 -10.185  -7.207  -9.654
  297    HG2  GLN  35           HG2      GLN  35  -9.053  -9.924 -10.182
  298    HG3  GLN  35           HG3      GLN  35  -9.783  -9.529  -8.627
  299   HE21  GLN  35          HE21      GLN  35 -11.559 -10.798  -8.767
  300   HE22  GLN  35          HE22      GLN  35 -12.809 -10.587  -9.941
  301    H    ILE  36           H        ILE  36  -7.419  -5.600 -10.294
  302    HA   ILE  36           HA       ILE  36  -9.166  -3.463 -11.029
  303    HB   ILE  36           HB       ILE  36  -6.306  -3.360 -10.062
  304   HG12  ILE  36          HG12      ILE  36  -7.747  -2.522  -7.968
  305   HG13  ILE  36          HG13      ILE  36  -8.943  -3.583  -8.703
  306   HG21  ILE  36          HG21      ILE  36  -6.477  -1.233 -10.775
  307   HG22  ILE  36          HG22      ILE  36  -8.237  -1.288 -10.843
  308   HG23  ILE  36          HG23      ILE  36  -7.423  -1.017  -9.302
  309   HD11  ILE  36          HD11      ILE  36  -7.757  -5.464  -8.241
  310   HD12  ILE  36          HD12      ILE  36  -6.200  -4.638  -8.317
  311   HD13  ILE  36          HD13      ILE  36  -7.232  -4.447  -6.899
  312    H    GLU  37           H        GLU  37  -5.893  -4.390 -12.103
  313    HA   GLU  37           HA       GLU  37  -5.530  -2.484 -14.065
  314    HB2  GLU  37           HB2      GLU  37  -4.576  -5.330 -13.853
  315    HB3  GLU  37           HB3      GLU  37  -4.115  -4.305 -15.204
  316    HG2  GLU  37           HG2      GLU  37  -3.282  -2.651 -13.467
  317    HG3  GLU  37           HG3      GLU  37  -3.463  -3.957 -12.298
  318    H    LYS  38           H        LYS  38  -7.497  -5.359 -14.127
  319    HA   LYS  38           HA       LYS  38  -8.017  -5.085 -16.984
  320    HB2  LYS  38           HB2      LYS  38  -7.689  -7.320 -15.737
  321    HB3  LYS  38           HB3      LYS  38  -9.326  -7.074 -15.144
  322    HG2  LYS  38           HG2      LYS  38 -10.248  -7.228 -17.295
  323    HG3  LYS  38           HG3      LYS  38  -8.676  -7.025 -18.072
  324    HD2  LYS  38           HD2      LYS  38  -9.064  -9.343 -16.245
  325    HD3  LYS  38           HD3      LYS  38  -9.809  -9.402 -17.844
  326    HE2  LYS  38           HE2      LYS  38  -6.906  -8.732 -17.435
  327    HE3  LYS  38           HE3      LYS  38  -7.476 -10.390 -17.623
  328    HZ1  LYS  38           HZ1      LYS  38  -7.180  -8.309 -19.600
  329    HZ2  LYS  38           HZ2      LYS  38  -8.644  -9.150 -19.702
  330    HZ3  LYS  38           HZ3      LYS  38  -7.178  -9.990 -19.789
  331    H    TRP  39           H        TRP  39  -9.454  -4.353 -13.921
  332    HA   TRP  39           HA       TRP  39 -12.144  -4.108 -14.773
  333    HB2  TRP  39           HB2      TRP  39 -11.680  -4.310 -12.424
  334    HB3  TRP  39           HB3      TRP  39 -10.650  -2.881 -12.451
  335    HD1  TRP  39           HD1      TRP  39 -14.285  -3.943 -12.227
  336    HE1  TRP  39           HE1      TRP  39 -15.735  -1.879 -11.717
  337    HE3  TRP  39           HE3      TRP  39 -10.755  -0.297 -12.850
  338    HZ2  TRP  39           HZ2      TRP  39 -15.425   0.924 -11.596
  339    HZ3  TRP  39           HZ3      TRP  39 -11.414   2.050 -12.519
  340    HH2  TRP  39           HH2      TRP  39 -13.701   2.646 -11.906
  341    H    LEU  40           H        LEU  40  -9.442  -1.843 -14.617
  342    HA   LEU  40           HA       LEU  40 -10.746   0.542 -15.108
  343    HB2  LEU  40           HB2      LEU  40  -8.168  -0.189 -14.841
  344    HB3  LEU  40           HB3      LEU  40  -8.219   0.123 -16.575
  345    HG   LEU  40           HG       LEU  40  -7.445   2.102 -15.509
  346   HD11  LEU  40          HD11      LEU  40  -9.518   2.089 -17.215
  347   HD12  LEU  40          HD12      LEU  40  -8.769   3.563 -16.603
  348   HD13  LEU  40          HD13      LEU  40 -10.246   2.952 -15.860
  349   HD21  LEU  40          HD21      LEU  40  -8.104   1.779 -13.255
  350   HD22  LEU  40          HD22      LEU  40  -9.814   1.759 -13.685
  351   HD23  LEU  40          HD23      LEU  40  -8.892   3.258 -13.803
  352    H    LYS  41           H        LYS  41  -9.448  -1.753 -17.501
  353    HA   LYS  41           HA       LYS  41 -10.187  -0.383 -19.805
  354    HB2  LYS  41           HB2      LYS  41  -9.730  -3.273 -19.169
  355    HB3  LYS  41           HB3      LYS  41 -10.363  -2.828 -20.748
  356    HG2  LYS  41           HG2      LYS  41  -8.403  -1.324 -21.039
  357    HG3  LYS  41           HG3      LYS  41  -7.751  -1.963 -19.528
  358    HD2  LYS  41           HD2      LYS  41  -6.732  -3.166 -21.321
  359    HD3  LYS  41           HD3      LYS  41  -7.885  -4.251 -20.540
  360    HE2  LYS  41           HE2      LYS  41  -8.019  -4.413 -22.974
  361    HE3  LYS  41           HE3      LYS  41  -9.519  -3.790 -22.289
  362    HZ1  LYS  41           HZ1      LYS  41  -8.358  -2.664 -24.350
  363    HZ2  LYS  41           HZ2      LYS  41  -7.511  -1.845 -23.137
  364    HZ3  LYS  41           HZ3      LYS  41  -9.199  -1.753 -23.199
  365    H    ARG  42           H        ARG  42 -12.112  -2.213 -17.575
  366    HA   ARG  42           HA       ARG  42 -14.360  -2.511 -19.346
  367    HB2  ARG  42           HB2      ARG  42 -13.800  -4.063 -17.428
  368    HB3  ARG  42           HB3      ARG  42 -14.345  -2.792 -16.341
  369    HG2  ARG  42           HG2      ARG  42 -16.145  -3.761 -18.516
  370    HG3  ARG  42           HG3      ARG  42 -15.967  -4.695 -17.029
  371    HD2  ARG  42           HD2      ARG  42 -16.432  -2.443 -15.844
  372    HD3  ARG  42           HD3      ARG  42 -17.064  -1.934 -17.410
  373    HE   ARG  42           HE       ARG  42 -18.292  -3.745 -15.553
  374   HH11  ARG  42          HH11      ARG  42 -18.060  -2.811 -18.899
  375   HH12  ARG  42          HH12      ARG  42 -19.621  -3.437 -19.317
  376   HH21  ARG  42          HH21      ARG  42 -20.349  -4.573 -16.091
  377   HH22  ARG  42          HH22      ARG  42 -20.922  -4.438 -17.719
  378    H    HIS  43           H        HIS  43 -13.518  -0.419 -16.613
  379    HA   HIS  43           HA       HIS  43 -15.221   1.667 -17.626
  380    HB2  HIS  43           HB2      HIS  43 -16.866   0.333 -16.400
  381    HB3  HIS  43           HB3      HIS  43 -15.857   0.391 -14.957
  382    HD1  HIS  43           HD1      HIS  43 -15.500   2.890 -13.952
  383    HD2  HIS  43           HD2      HIS  43 -18.657   2.368 -16.601
  384    HE1  HIS  43           HE1      HIS  43 -17.009   4.870 -13.597
  Start of MODEL    9
    1    HCN  FME   1           HF       FME   1  -2.785  -2.971  -0.453
    2    HA   FME   1           HA       FME   1   0.231  -0.838  -0.757
    3    HB2  FME   1           HB2      FME   1   1.014  -1.642   2.084
    4    HB3  FME   1           HB3      FME   1   0.408  -0.068   1.459
    5    HG2  FME   1           HG2      FME   1   2.530   0.014  -0.053
    6    HG3  FME   1           HG3      FME   1   3.165  -1.363   0.918
    7    HE1  FME   1           HE8      FME   1   3.257  -1.488   3.322
    8    HE2  FME   1           HE2      FME   1   3.846  -0.140   4.379
    9    HE3  FME   1           HE3      FME   1   4.849  -0.700   2.970
   10    H    GLY   2           H        GLY   2   0.312  -2.203  -2.460
   11    HA2  GLY   2           HA2      GLY   2   2.782  -3.261  -2.985
   12    HA3  GLY   2           HA3      GLY   2   1.855  -4.619  -2.365
   13    H    ALA   3           H        ALA   3  -0.660  -3.927  -3.455
   14    HA   ALA   3           HA       ALA   3  -0.242  -4.835  -6.167
   15    HB1  ALA   3           HB1      ALA   3  -2.616  -4.521  -4.384
   16    HB2  ALA   3           HB2      ALA   3  -2.846  -4.701  -6.124
   17    HB3  ALA   3           HB3      ALA   3  -2.012  -5.958  -5.210
   18    H    ILE   4           H        ILE   4  -1.287  -1.915  -4.529
   19    HA   ILE   4           HA       ILE   4  -2.464  -0.505  -6.586
   20    HB   ILE   4           HB       ILE   4  -0.624   0.609  -4.465
   21   HG12  ILE   4          HG12      ILE   4  -2.507  -0.697  -3.552
   22   HG13  ILE   4          HG13      ILE   4  -2.668   1.018  -3.189
   23   HG21  ILE   4          HG21      ILE   4  -0.872   2.306  -6.059
   24   HG22  ILE   4          HG22      ILE   4  -2.561   1.901  -6.357
   25   HG23  ILE   4          HG23      ILE   4  -2.092   2.667  -4.839
   26   HD11  ILE   4          HD11      ILE   4  -3.997   0.507  -5.640
   27   HD12  ILE   4          HD12      ILE   4  -4.516  -0.696  -4.460
   28   HD13  ILE   4          HD13      ILE   4  -4.677   1.022  -4.097
   29    H    ALA   5           H        ALA   5   0.983  -0.841  -5.845
   30    HA   ALA   5           HA       ALA   5   2.011   0.945  -7.714
   31    HB1  ALA   5           HB1      ALA   5   3.921  -0.971  -7.686
   32    HB2  ALA   5           HB2      ALA   5   3.721   0.251  -6.430
   33    HB3  ALA   5           HB3      ALA   5   3.039  -1.360  -6.209
   34    H    LYS   6           H        LYS   6   0.825  -2.326  -8.116
   35    HA   LYS   6           HA       LYS   6   1.856  -2.714 -10.744
   36    HB2  LYS   6           HB2      LYS   6  -0.520  -4.086  -9.478
   37    HB3  LYS   6           HB3      LYS   6   0.454  -4.676 -10.819
   38    HG2  LYS   6           HG2      LYS   6   1.579  -4.195  -8.075
   39    HG3  LYS   6           HG3      LYS   6   0.886  -5.738  -8.578
   40    HD2  LYS   6           HD2      LYS   6   2.994  -4.448 -10.257
   41    HD3  LYS   6           HD3      LYS   6   3.458  -5.315  -8.791
   42    HE2  LYS   6           HE2      LYS   6   1.762  -6.489 -10.989
   43    HE3  LYS   6           HE3      LYS   6   3.509  -6.693 -10.875
   44    HZ1  LYS   6           HZ1      LYS   6   2.357  -8.579  -9.926
   45    HZ2  LYS   6           HZ2      LYS   6   1.519  -7.575  -8.854
   46    HZ3  LYS   6           HZ3      LYS   6   3.196  -7.748  -8.714
   47    H    LEU   7           H        LEU   7  -1.002  -1.226  -9.433
   48    HA   LEU   7           HA       LEU   7  -2.374  -1.140 -11.978
   49    HB2  LEU   7           HB2      LEU   7  -3.154   0.501  -9.608
   50    HB3  LEU   7           HB3      LEU   7  -4.175  -0.229 -10.845
   51    HG   LEU   7           HG       LEU   7  -2.724  -1.803  -8.722
   52   HD11  LEU   7          HD11      LEU   7  -5.528  -1.819  -8.342
   53   HD12  LEU   7          HD12      LEU   7  -5.013  -0.137  -8.459
   54   HD13  LEU   7          HD13      LEU   7  -4.277  -1.202  -7.262
   55   HD21  LEU   7          HD21      LEU   7  -4.668  -3.402  -9.431
   56   HD22  LEU   7          HD22      LEU   7  -3.189  -3.316 -10.389
   57   HD23  LEU   7          HD23      LEU   7  -4.636  -2.454 -10.918
   58    H    VAL   8           H        VAL   8  -0.779   1.169  -9.804
   59    HA   VAL   8           HA       VAL   8  -1.204   3.442 -11.440
   60    HB   VAL   8           HB       VAL   8   0.980   3.004  -9.399
   61   HG11  VAL   8          HG11      VAL   8   0.204   5.679  -9.440
   62   HG12  VAL   8          HG12      VAL   8   1.706   4.998 -10.070
   63   HG13  VAL   8          HG13      VAL   8   0.317   5.212 -11.136
   64   HG21  VAL   8          HG21      VAL   8  -0.758   2.829  -7.985
   65   HG22  VAL   8          HG22      VAL   8  -0.877   4.577  -8.190
   66   HG23  VAL   8          HG23      VAL   8  -1.901   3.505  -9.146
   67    H    ALA   9           H        ALA   9   0.972   0.815 -11.655
   68    HA   ALA   9           HA       ALA   9   3.205   1.940 -12.868
   69    HB1  ALA   9           HB1      ALA   9   2.023  -0.718 -12.666
   70    HB2  ALA   9           HB2      ALA   9   2.947  -0.473 -14.148
   71    HB3  ALA   9           HB3      ALA   9   3.712  -0.217 -12.580
   72    H    LYS  10           H        LYS  10   0.011   1.472 -14.100
   73    HA   LYS  10           HA       LYS  10   0.921   2.354 -16.761
   74    HB2  LYS  10           HB2      LYS  10  -1.485   0.647 -16.095
   75    HB3  LYS  10           HB3      LYS  10  -1.041   1.202 -17.703
   76    HG2  LYS  10           HG2      LYS  10  -0.118  -0.854 -17.808
   77    HG3  LYS  10           HG3      LYS  10   1.237  -0.019 -17.046
   78    HD2  LYS  10           HD2      LYS  10   0.045  -0.674 -14.827
   79    HD3  LYS  10           HD3      LYS  10  -0.778  -1.870 -15.832
   80    HE2  LYS  10           HE2      LYS  10   2.217  -1.568 -15.680
   81    HE3  LYS  10           HE3      LYS  10   1.292  -2.698 -14.692
   82    HZ1  LYS  10           HZ1      LYS  10   1.840  -2.766 -17.571
   83    HZ2  LYS  10           HZ2      LYS  10   0.391  -3.435 -17.014
   84    HZ3  LYS  10           HZ3      LYS  10   1.869  -4.023 -16.440
   85    H    PHE  11           H        PHE  11  -1.744   2.483 -14.420
   86    HA   PHE  11           HA       PHE  11  -3.230   4.487 -15.719
   87    HB2  PHE  11           HB2      PHE  11  -3.100   3.855 -12.763
   88    HB3  PHE  11           HB3      PHE  11  -4.363   4.786 -13.561
   89    HD1  PHE  11           HD2      PHE  11  -4.733   3.132 -16.010
   90    HD2  PHE  11           HD1      PHE  11  -4.275   2.025 -11.926
   91    HE1  PHE  11           HE2      PHE  11  -5.991   1.061 -16.434
   92    HE2  PHE  11           HE1      PHE  11  -5.532  -0.049 -12.344
   93    HZ   PHE  11           HZ       PHE  11  -6.392  -0.533 -14.600
   94    H    GLY  12           H        GLY  12  -1.493   4.945 -12.643
   95    HA2  GLY  12           HA2      GLY  12   0.341   6.639 -12.647
   96    HA3  GLY  12           HA3      GLY  12  -0.741   7.636 -13.608
   97    H    TRP  13           H        TRP  13   0.185   8.864 -11.494
   98    HA   TRP  13           HA       TRP  13  -1.229   8.435  -9.073
   99    HB2  TRP  13           HB2      TRP  13  -0.193  11.146  -9.770
  100    HB3  TRP  13           HB3      TRP  13  -0.085  10.259  -8.252
  101    HD1  TRP  13           HD1      TRP  13   2.049  11.372 -10.961
  102    HE1  TRP  13           HE1      TRP  13   4.239  10.025 -11.059
  103    HE3  TRP  13           HE3      TRP  13   0.730   7.459  -7.946
  104    HZ2  TRP  13           HZ2      TRP  13   5.272   7.621  -9.999
  105    HZ3  TRP  13           HZ3      TRP  13   2.377   5.676  -7.540
  106    HH2  TRP  13           HH2      TRP  13   4.600   5.757  -8.547
  107    HA   PRO  14           HA       PRO  14  -3.987  12.114 -10.606
  108    HB2  PRO  14           HB2      PRO  14  -3.867  12.698 -13.254
  109    HB3  PRO  14           HB3      PRO  14  -2.820  13.463 -12.053
  110    HG2  PRO  14           HG2      PRO  14  -2.229  11.187 -13.906
  111    HG3  PRO  14           HG3      PRO  14  -1.216  12.581 -13.486
  112    HD2  PRO  14           HD2      PRO  14  -0.864  10.136 -12.376
  113    HD3  PRO  14           HD3      PRO  14  -0.530  11.642 -11.496
  114    H    PHE  15           H        PHE  15  -3.490   9.109 -12.092
  115    HA   PHE  15           HA       PHE  15  -6.195   9.051 -13.227
  116    HB2  PHE  15           HB2      PHE  15  -3.996   8.244 -14.441
  117    HB3  PHE  15           HB3      PHE  15  -4.274   6.777 -13.508
  118    HD1  PHE  15           HD2      PHE  15  -6.240   5.396 -13.918
  119    HD2  PHE  15           HD1      PHE  15  -5.439   8.866 -16.251
  120    HE1  PHE  15           HE2      PHE  15  -7.856   4.630 -15.607
  121    HE2  PHE  15           HE1      PHE  15  -7.056   8.105 -17.943
  122    HZ   PHE  15           HZ       PHE  15  -8.266   5.984 -17.623
  123    H    ILE  16           H        ILE  16  -4.087   7.382 -10.937
  124    HA   ILE  16           HA       ILE  16  -6.026   5.437 -10.170
  125    HB   ILE  16           HB       ILE  16  -3.554   5.163  -9.878
  126   HG12  ILE  16          HG12      ILE  16  -4.024   4.504  -7.251
  127   HG13  ILE  16          HG13      ILE  16  -5.654   4.577  -7.912
  128   HG21  ILE  16          HG21      ILE  16  -3.203   7.477  -8.988
  129   HG22  ILE  16          HG22      ILE  16  -3.907   6.931  -7.467
  130   HG23  ILE  16          HG23      ILE  16  -2.415   6.201  -8.060
  131   HD11  ILE  16          HD11      ILE  16  -4.249   3.147  -9.804
  132   HD12  ILE  16          HD12      ILE  16  -3.592   2.580  -8.268
  133   HD13  ILE  16          HD13      ILE  16  -5.326   2.488  -8.574
  134    H    LYS  17           H        LYS  17  -5.236   8.667  -9.124
  135    HA   LYS  17           HA       LYS  17  -6.636   8.558  -6.641
  136    HB2  LYS  17           HB2      LYS  17  -6.267  10.913  -6.509
  137    HB3  LYS  17           HB3      LYS  17  -4.823  10.202  -7.217
  138    HG2  LYS  17           HG2      LYS  17  -5.596  10.871  -9.444
  139    HG3  LYS  17           HG3      LYS  17  -7.026  11.607  -8.717
  140    HD2  LYS  17           HD2      LYS  17  -5.304  12.932  -7.295
  141    HD3  LYS  17           HD3      LYS  17  -4.161  12.466  -8.557
  142    HE2  LYS  17           HE2      LYS  17  -5.396  13.597 -10.224
  143    HE3  LYS  17           HE3      LYS  17  -6.794  13.786  -9.167
  144    HZ1  LYS  17           HZ1      LYS  17  -5.490  15.284  -7.782
  145    HZ2  LYS  17           HZ2      LYS  17  -5.576  15.853  -9.372
  146    HZ3  LYS  17           HZ3      LYS  17  -4.160  15.114  -8.814
  147    H    LYS  18           H        LYS  18  -7.594   8.910  -9.907
  148    HA   LYS  18           HA       LYS  18  -9.997  10.379  -9.490
  149    HB2  LYS  18           HB2      LYS  18  -8.796   8.819 -11.721
  150    HB3  LYS  18           HB3      LYS  18 -10.531   9.101 -11.775
  151    HG2  LYS  18           HG2      LYS  18 -10.163  11.501 -11.652
  152    HG3  LYS  18           HG3      LYS  18  -8.421  11.238 -11.549
  153    HD2  LYS  18           HD2      LYS  18  -8.327  10.387 -13.758
  154    HD3  LYS  18           HD3      LYS  18 -10.084  10.248 -13.854
  155    HE2  LYS  18           HE2      LYS  18  -9.731  12.177 -15.050
  156    HE3  LYS  18           HE3      LYS  18 -10.009  12.830 -13.436
  157    HZ1  LYS  18           HZ1      LYS  18  -7.255  12.188 -13.960
  158    HZ2  LYS  18           HZ2      LYS  18  -7.933  13.600 -13.320
  159    HZ3  LYS  18           HZ3      LYS  18  -7.870  13.376 -14.996
  160    H    PHE  19           H        PHE  19  -9.139   6.991  -9.374
  161    HA   PHE  19           HA       PHE  19 -11.868   6.394  -8.457
  162    HB2  PHE  19           HB2      PHE  19 -10.180   4.702 -10.311
  163    HB3  PHE  19           HB3      PHE  19 -11.690   4.175  -9.576
  164    HD1  PHE  19           HD2      PHE  19 -10.180   6.497 -11.995
  165    HD2  PHE  19           HD1      PHE  19 -13.793   4.887 -10.423
  166    HE1  PHE  19           HE2      PHE  19 -11.430   7.476 -13.875
  167    HE2  PHE  19           HE1      PHE  19 -15.049   5.863 -12.301
  168    HZ   PHE  19           HZ       PHE  19 -13.868   7.160 -14.029
  169    H    TYR  20           H        TYR  20  -9.387   6.973  -7.005
  170    HA   TYR  20           HA       TYR  20  -8.221   4.611  -6.003
  171    HB2  TYR  20           HB2      TYR  20  -7.167   6.812  -5.759
  172    HB3  TYR  20           HB3      TYR  20  -8.470   7.327  -4.693
  173    HD1  TYR  20           HD1      TYR  20  -5.518   5.151  -4.997
  174    HD2  TYR  20           HD2      TYR  20  -8.535   6.639  -2.392
  175    HE1  TYR  20           HE1      TYR  20  -4.263   4.293  -3.063
  176    HE2  TYR  20           HE2      TYR  20  -7.288   5.788  -0.451
  177    HH   TYR  20           HH       TYR  20  -5.596   4.415   0.192
  178    H    LYS  21           H        LYS  21 -11.135   6.336  -5.189
  179    HA   LYS  21           HA       LYS  21 -11.628   5.317  -2.636
  180    HB2  LYS  21           HB2      LYS  21 -12.904   7.153  -3.766
  181    HB3  LYS  21           HB3      LYS  21 -13.700   5.931  -4.749
  182    HG2  LYS  21           HG2      LYS  21 -15.195   6.441  -3.010
  183    HG3  LYS  21           HG3      LYS  21 -14.482   4.883  -2.589
  184    HD2  LYS  21           HD2      LYS  21 -14.374   6.033  -0.582
  185    HD3  LYS  21           HD3      LYS  21 -12.770   6.315  -1.261
  186    HE2  LYS  21           HE2      LYS  21 -14.924   8.257  -1.909
  187    HE3  LYS  21           HE3      LYS  21 -14.251   8.284  -0.279
  188    HZ1  LYS  21           HZ1      LYS  21 -12.808   9.683  -1.290
  189    HZ2  LYS  21           HZ2      LYS  21 -12.998   8.985  -2.819
  190    HZ3  LYS  21           HZ3      LYS  21 -12.015   8.236  -1.663
  191    H    GLN  22           H        GLN  22 -12.194   3.933  -5.817
  192    HA   GLN  22           HA       GLN  22 -13.529   1.612  -4.681
  193    HB2  GLN  22           HB2      GLN  22 -12.853   2.373  -7.524
  194    HB3  GLN  22           HB3      GLN  22 -13.653   0.872  -7.079
  195    HG2  GLN  22           HG2      GLN  22 -15.477   2.205  -6.061
  196    HG3  GLN  22           HG3      GLN  22 -14.694   3.664  -6.665
  197   HE21  GLN  22          HE21      GLN  22 -15.057   4.287  -8.703
  198   HE22  GLN  22          HE22      GLN  22 -15.978   3.395  -9.861
  199    H    ILE  23           H        ILE  23 -10.547   2.372  -6.446
  200    HA   ILE  23           HA       ILE  23  -9.478  -0.156  -6.707
  201    HB   ILE  23           HB       ILE  23  -7.979   2.392  -6.089
  202   HG12  ILE  23          HG12      ILE  23  -8.154   1.207  -8.817
  203   HG13  ILE  23          HG13      ILE  23  -9.571   2.049  -8.200
  204   HG21  ILE  23          HG21      ILE  23  -6.561   0.494  -5.679
  205   HG22  ILE  23          HG22      ILE  23  -7.028  -0.237  -7.214
  206   HG23  ILE  23          HG23      ILE  23  -6.077   1.248  -7.197
  207   HD11  ILE  23          HD11      ILE  23  -7.103   3.108  -9.247
  208   HD12  ILE  23          HD12      ILE  23  -8.641   3.916  -8.941
  209   HD13  ILE  23          HD13      ILE  23  -7.458   3.753  -7.644
  210    H    MET  24           H        MET  24  -8.607   2.116  -4.093
  211    HA   MET  24           HA       MET  24  -7.231   0.300  -2.510
  212    HB2  MET  24           HB2      MET  24  -7.378   1.888  -0.755
  213    HB3  MET  24           HB3      MET  24  -7.337   2.817  -2.247
  214    HG2  MET  24           HG2      MET  24  -9.050   3.906  -1.298
  215    HG3  MET  24           HG3      MET  24  -9.989   2.562  -1.942
  216    HE1  MET  24           HE1      MET  24  -8.254   4.178   1.003
  217    HE2  MET  24           HE2      MET  24  -9.941   4.679   1.120
  218    HE3  MET  24           HE3      MET  24  -9.232   3.666   2.379
  219    H    GLN  25           H        GLN  25 -10.647   0.758  -2.918
  220    HA   GLN  25           HA       GLN  25 -11.418  -0.655  -0.544
  221    HB2  GLN  25           HB2      GLN  25 -12.786   0.594  -2.847
  222    HB3  GLN  25           HB3      GLN  25 -13.630  -0.757  -2.104
  223    HG2  GLN  25           HG2      GLN  25 -12.655   1.691  -0.650
  224    HG3  GLN  25           HG3      GLN  25 -14.311   1.411  -1.184
  225   HE21  GLN  25          HE21      GLN  25 -12.547   1.470   1.460
  226   HE22  GLN  25          HE22      GLN  25 -13.289   0.220   2.394
  227    H    PHE  26           H        PHE  26 -10.683  -1.495  -3.837
  228    HA   PHE  26           HA       PHE  26 -11.903  -4.080  -3.779
  229    HB2  PHE  26           HB2      PHE  26  -9.872  -2.813  -5.619
  230    HB3  PHE  26           HB3      PHE  26 -10.472  -4.453  -5.843
  231    HD1  PHE  26           HD2      PHE  26 -13.306  -4.185  -5.218
  232    HD2  PHE  26           HD1      PHE  26 -10.723  -1.574  -7.370
  233    HE1  PHE  26           HE2      PHE  26 -15.237  -3.308  -6.465
  234    HE2  PHE  26           HE1      PHE  26 -12.650  -0.692  -8.619
  235    HZ   PHE  26           HZ       PHE  26 -14.911  -1.559  -8.169
  236    H    ILE  27           H        ILE  27  -8.666  -2.822  -3.178
  237    HA   ILE  27           HA       ILE  27  -7.255  -5.219  -3.051
  238    HB   ILE  27           HB       ILE  27  -6.793  -2.749  -1.375
  239   HG12  ILE  27          HG12      ILE  27  -6.838  -2.214  -3.755
  240   HG13  ILE  27          HG13      ILE  27  -5.187  -2.127  -3.149
  241   HG21  ILE  27          HG21      ILE  27  -5.486  -5.290  -1.437
  242   HG22  ILE  27          HG22      ILE  27  -4.383  -4.049  -2.031
  243   HG23  ILE  27          HG23      ILE  27  -5.127  -3.879  -0.442
  244   HD11  ILE  27          HD11      ILE  27  -5.218  -3.182  -5.308
  245   HD12  ILE  27          HD12      ILE  27  -4.764  -4.365  -4.081
  246   HD13  ILE  27          HD13      ILE  27  -6.396  -4.369  -4.749
  247    H    GLY  28           H        GLY  28  -8.858  -3.437  -0.412
  248    HA2  GLY  28           HA2      GLY  28  -8.276  -5.369   1.582
  249    HA3  GLY  28           HA3      GLY  28  -9.493  -4.105   1.693
  250    H    GLN  29           H        GLN  29 -10.637  -5.274  -0.910
  251    HA   GLN  29           HA       GLN  29 -12.537  -6.987   0.398
  252    HB2  GLN  29           HB2      GLN  29 -13.388  -5.490  -1.257
  253    HB3  GLN  29           HB3      GLN  29 -12.233  -6.057  -2.455
  254    HG2  GLN  29           HG2      GLN  29 -14.413  -6.941  -2.944
  255    HG3  GLN  29           HG3      GLN  29 -13.338  -8.250  -2.456
  256   HE21  GLN  29          HE21      GLN  29 -16.149  -6.412  -1.679
  257   HE22  GLN  29          HE22      GLN  29 -16.663  -7.363  -0.332
  258    H    GLY  30           H        GLY  30  -9.701  -7.404  -1.551
  259    HA2  GLY  30           HA2      GLY  30  -8.563  -9.549  -1.392
  260    HA3  GLY  30           HA3      GLY  30 -10.140 -10.322  -1.456
  261    H    TRP  31           H        TRP  31  -9.643  -7.650  -3.554
  262    HA   TRP  31           HA       TRP  31  -9.959  -9.339  -5.860
  263    HB2  TRP  31           HB2      TRP  31  -9.833  -6.391  -5.375
  264    HB3  TRP  31           HB3      TRP  31  -9.580  -6.995  -7.010
  265    HD1  TRP  31           HD1      TRP  31 -12.089  -8.776  -4.766
  266    HE1  TRP  31           HE1      TRP  31 -14.460  -8.368  -5.679
  267    HE3  TRP  31           HE3      TRP  31 -10.994  -5.280  -8.332
  268    HZ2  TRP  31           HZ2      TRP  31 -15.702  -6.776  -7.652
  269    HZ3  TRP  31           HZ3      TRP  31 -12.831  -4.365  -9.690
  270    HH2  TRP  31           HH2      TRP  31 -15.136  -5.099  -9.355
  271    H    THR  32           H        THR  32  -8.460  -9.947  -7.324
  272    HA   THR  32           HA       THR  32  -5.717  -9.867  -6.611
  273    HB   THR  32           HB       THR  32  -5.279 -11.096  -8.603
  274    HG1  THR  32           HG1      THR  32  -7.085 -11.288 -10.180
  275   HG21  THR  32          HG21      THR  32  -7.021 -11.977  -6.748
  276   HG22  THR  32          HG22      THR  32  -6.479 -12.956  -8.111
  277   HG23  THR  32          HG23      THR  32  -8.024 -12.110  -8.192
  278    H    ILE  33           H        ILE  33  -4.046  -9.222  -8.363
  279    HA   ILE  33           HA       ILE  33  -4.170  -6.409  -8.661
  280    HB   ILE  33           HB       ILE  33  -2.273  -8.368  -9.960
  281   HG12  ILE  33          HG12      ILE  33  -0.864  -7.118  -7.999
  282   HG13  ILE  33          HG13      ILE  33  -2.460  -7.183  -7.261
  283   HG21  ILE  33          HG21      ILE  33  -2.220  -6.286 -11.144
  284   HG22  ILE  33          HG22      ILE  33  -2.138  -5.376  -9.637
  285   HG23  ILE  33          HG23      ILE  33  -0.779  -6.384 -10.133
  286   HD11  ILE  33          HD11      ILE  33  -2.329  -9.382  -6.906
  287   HD12  ILE  33          HD12      ILE  33  -1.606  -9.695  -8.484
  288   HD13  ILE  33          HD13      ILE  33  -0.597  -9.153  -7.143
  289    H    ASP  34           H        ASP  34  -5.037  -9.063 -10.722
  290    HA   ASP  34           HA       ASP  34  -5.139  -7.468 -13.127
  291    HB2  ASP  34           HB2      ASP  34  -5.963 -10.295 -12.475
  292    HB3  ASP  34           HB3      ASP  34  -6.278  -9.563 -14.045
  293    H    GLN  35           H        GLN  35  -7.282  -8.369 -10.561
  294    HA   GLN  35           HA       GLN  35  -9.764  -8.069 -11.790
  295    HB2  GLN  35           HB2      GLN  35  -8.811  -7.648  -8.973
  296    HB3  GLN  35           HB3      GLN  35 -10.479  -7.311  -9.416
  297    HG2  GLN  35           HG2      GLN  35  -9.157  -9.958  -9.927
  298    HG3  GLN  35           HG3      GLN  35 -10.022  -9.583  -8.438
  299   HE21  GLN  35          HE21      GLN  35 -12.277  -9.052  -8.597
  300   HE22  GLN  35          HE22      GLN  35 -13.225  -9.703  -9.887
  301    H    ILE  36           H        ILE  36  -7.674  -5.640 -10.273
  302    HA   ILE  36           HA       ILE  36  -9.494  -3.483 -10.797
  303    HB   ILE  36           HB       ILE  36  -6.580  -3.404 -10.004
  304   HG12  ILE  36          HG12      ILE  36  -7.850  -2.637  -7.796
  305   HG13  ILE  36          HG13      ILE  36  -9.140  -3.616  -8.485
  306   HG21  ILE  36          HG21      ILE  36  -6.853  -1.274 -10.741
  307   HG22  ILE  36          HG22      ILE  36  -8.601  -1.301 -10.515
  308   HG23  ILE  36          HG23      ILE  36  -7.536  -1.078  -9.127
  309   HD11  ILE  36          HD11      ILE  36  -8.041  -5.554  -8.125
  310   HD12  ILE  36          HD12      ILE  36  -6.452  -4.833  -8.387
  311   HD13  ILE  36          HD13      ILE  36  -7.286  -4.596  -6.852
  312    H    GLU  37           H        GLU  37  -6.289  -4.368 -12.090
  313    HA   GLU  37           HA       GLU  37  -6.051  -2.412 -14.021
  314    HB2  GLU  37           HB2      GLU  37  -5.007  -5.193 -13.753
  315    HB3  GLU  37           HB3      GLU  37  -4.808  -4.379 -15.299
  316    HG2  GLU  37           HG2      GLU  37  -4.005  -2.941 -12.825
  317    HG3  GLU  37           HG3      GLU  37  -2.974  -4.239 -13.425
  318    H    LYS  38           H        LYS  38  -8.012  -5.292 -14.038
  319    HA   LYS  38           HA       LYS  38  -8.694  -4.967 -16.852
  320    HB2  LYS  38           HB2      LYS  38  -9.515  -7.013 -14.787
  321    HB3  LYS  38           HB3      LYS  38 -10.112  -7.003 -16.441
  322    HG2  LYS  38           HG2      LYS  38  -7.945  -7.435 -17.314
  323    HG3  LYS  38           HG3      LYS  38  -7.193  -7.168 -15.740
  324    HD2  LYS  38           HD2      LYS  38  -7.258  -9.487 -15.906
  325    HD3  LYS  38           HD3      LYS  38  -8.694  -9.117 -14.949
  326    HE2  LYS  38           HE2      LYS  38  -9.509 -10.620 -16.508
  327    HE3  LYS  38           HE3      LYS  38  -9.903  -9.066 -17.241
  328    HZ1  LYS  38           HZ1      LYS  38  -7.362  -9.703 -18.114
  329    HZ2  LYS  38           HZ2      LYS  38  -8.791  -9.737 -19.019
  330    HZ3  LYS  38           HZ3      LYS  38  -8.250 -11.138 -18.239
  331    H    TRP  39           H        TRP  39  -9.956  -4.260 -13.707
  332    HA   TRP  39           HA       TRP  39 -12.678  -3.917 -14.505
  333    HB2  TRP  39           HB2      TRP  39 -12.223  -4.379 -12.192
  334    HB3  TRP  39           HB3      TRP  39 -11.143  -2.993 -12.072
  335    HD1  TRP  39           HD1      TRP  39 -14.863  -3.890 -12.182
  336    HE1  TRP  39           HE1      TRP  39 -16.221  -1.863 -11.363
  337    HE3  TRP  39           HE3      TRP  39 -11.088  -0.455 -11.874
  338    HZ2  TRP  39           HZ2      TRP  39 -15.754   0.836 -10.677
  339    HZ3  TRP  39           HZ3      TRP  39 -11.628   1.827 -11.128
  340    HH2  TRP  39           HH2      TRP  39 -13.913   2.457 -10.543
  341    H    LEU  40           H        LEU  40  -9.983  -1.685 -13.885
  342    HA   LEU  40           HA       LEU  40 -11.485   0.644 -14.579
  343    HB2  LEU  40           HB2      LEU  40  -9.602   0.793 -13.070
  344    HB3  LEU  40           HB3      LEU  40  -8.517   0.186 -14.319
  345    HG   LEU  40           HG       LEU  40  -8.745   2.216 -15.584
  346   HD11  LEU  40          HD11      LEU  40 -11.112   2.643 -15.106
  347   HD12  LEU  40          HD12      LEU  40 -10.117   4.074 -14.841
  348   HD13  LEU  40          HD13      LEU  40 -10.687   3.129 -13.465
  349   HD21  LEU  40          HD21      LEU  40  -7.557   2.034 -13.077
  350   HD22  LEU  40          HD22      LEU  40  -8.400   3.583 -13.060
  351   HD23  LEU  40          HD23      LEU  40  -7.220   3.234 -14.325
  352    H    LYS  41           H        LYS  41  -8.886  -1.158 -16.221
  353    HA   LYS  41           HA       LYS  41  -8.738   0.308 -18.555
  354    HB2  LYS  41           HB2      LYS  41  -7.170  -1.480 -18.033
  355    HB3  LYS  41           HB3      LYS  41  -8.446  -2.680 -18.195
  356    HG2  LYS  41           HG2      LYS  41  -8.627  -2.256 -20.548
  357    HG3  LYS  41           HG3      LYS  41  -7.496  -0.906 -20.433
  358    HD2  LYS  41           HD2      LYS  41  -5.730  -2.461 -19.731
  359    HD3  LYS  41           HD3      LYS  41  -6.865  -3.805 -19.876
  360    HE2  LYS  41           HE2      LYS  41  -5.713  -3.875 -21.890
  361    HE3  LYS  41           HE3      LYS  41  -7.176  -2.982 -22.303
  362    HZ1  LYS  41           HZ1      LYS  41  -4.998  -1.323 -21.402
  363    HZ2  LYS  41           HZ2      LYS  41  -6.015  -1.141 -22.741
  364    HZ3  LYS  41           HZ3      LYS  41  -4.668  -2.160 -22.835
  365    H    ARG  42           H        ARG  42 -11.143  -2.025 -17.565
  366    HA   ARG  42           HA       ARG  42 -12.421  -1.935 -20.193
  367    HB2  ARG  42           HB2      ARG  42 -13.019  -3.581 -17.730
  368    HB3  ARG  42           HB3      ARG  42 -13.944  -3.661 -19.223
  369    HG2  ARG  42           HG2      ARG  42 -11.011  -4.292 -18.970
  370    HG3  ARG  42           HG3      ARG  42 -12.312  -5.483 -19.013
  371    HD2  ARG  42           HD2      ARG  42 -11.472  -3.582 -21.191
  372    HD3  ARG  42           HD3      ARG  42 -11.399  -5.343 -21.208
  373    HE   ARG  42           HE       ARG  42 -14.047  -4.749 -20.852
  374   HH11  ARG  42          HH11      ARG  42 -11.621  -3.973 -23.225
  375   HH12  ARG  42          HH12      ARG  42 -12.752  -3.851 -24.532
  376   HH21  ARG  42          HH21      ARG  42 -15.546  -4.591 -22.564
  377   HH22  ARG  42          HH22      ARG  42 -14.984  -4.202 -24.155
  378    H    HIS  43           H        HIS  43 -12.435   0.486 -18.832
  379    HA   HIS  43           HA       HIS  43 -15.257   0.730 -18.017
  380    HB2  HIS  43           HB2      HIS  43 -13.483   1.225 -16.257
  381    HB3  HIS  43           HB3      HIS  43 -13.052   2.631 -17.226
  382    HD1  HIS  43           HD1      HIS  43 -14.227   4.709 -16.595
  383    HD2  HIS  43           HD2      HIS  43 -16.387   1.328 -15.517
  384    HE1  HIS  43           HE1      HIS  43 -16.247   5.566 -15.366
  Start of MODEL   10
    1    HCN  FME   1           HF       FME   1   3.618  -0.035   2.305
    2    HA   FME   1           HA       FME   1   0.378  -1.158   1.129
    3    HB2  FME   1           HB2      FME   1  -0.920  -0.319  -0.800
    4    HB3  FME   1           HB3      FME   1   0.470   0.728  -1.255
    5    HG2  FME   1           HG2      FME   1  -0.766   2.292  -0.055
    6    HG3  FME   1           HG3      FME   1   0.186   1.613   1.314
    7    HE1  FME   1           HE8      FME   1  -3.149   2.484   2.738
    8    HE2  FME   1           HE2      FME   1  -1.376   2.789   2.535
    9    HE3  FME   1           HE3      FME   1  -1.954   1.486   3.663
   10    H    GLY   2           H        GLY   2   1.985  -0.770  -2.022
   11    HA2  GLY   2           HA2      GLY   2   3.241  -2.589  -2.991
   12    HA3  GLY   2           HA3      GLY   2   2.249  -3.706  -2.066
   13    H    ALA   3           H        ALA   3  -0.148  -3.612  -2.622
   14    HA   ALA   3           HA       ALA   3  -0.513  -4.333  -5.287
   15    HB1  ALA   3           HB1      ALA   3  -3.029  -3.766  -4.607
   16    HB2  ALA   3           HB2      ALA   3  -2.183  -5.199  -4.020
   17    HB3  ALA   3           HB3      ALA   3  -2.303  -3.767  -2.999
   18    H    ILE   4           H        ILE   4  -0.531  -1.218  -3.797
   19    HA   ILE   4           HA       ILE   4  -2.081   0.179  -5.706
   20    HB   ILE   4           HB       ILE   4   0.141   1.251  -3.963
   21   HG12  ILE   4          HG12      ILE   4  -1.652   0.111  -2.689
   22   HG13  ILE   4          HG13      ILE   4  -1.612   1.844  -2.381
   23   HG21  ILE   4          HG21      ILE   4  -1.582   2.474  -5.939
   24   HG22  ILE   4          HG22      ILE   4  -1.774   3.218  -4.353
   25   HG23  ILE   4          HG23      ILE   4  -0.179   3.137  -5.101
   26   HD11  ILE   4          HD11      ILE   4  -3.489   0.545  -4.335
   27   HD12  ILE   4          HD12      ILE   4  -3.888   0.870  -2.648
   28   HD13  ILE   4          HD13      ILE   4  -3.525   2.205  -3.742
   29    H    ALA   5           H        ALA   5   1.458  -0.033  -5.303
   30    HA   ALA   5           HA       ALA   5   2.156   1.378  -7.607
   31    HB1  ALA   5           HB1      ALA   5   3.662  -0.842  -6.229
   32    HB2  ALA   5           HB2      ALA   5   4.344   0.277  -7.410
   33    HB3  ALA   5           HB3      ALA   5   3.762   0.880  -5.858
   34    H    LYS   6           H        LYS   6   1.063  -1.892  -7.196
   35    HA   LYS   6           HA       LYS   6   2.015  -3.017  -9.586
   36    HB2  LYS   6           HB2      LYS   6  -0.502  -3.662  -8.038
   37    HB3  LYS   6           HB3      LYS   6   0.199  -4.674  -9.294
   38    HG2  LYS   6           HG2      LYS   6   2.329  -4.477  -7.717
   39    HG3  LYS   6           HG3      LYS   6   1.073  -4.229  -6.502
   40    HD2  LYS   6           HD2      LYS   6  -0.010  -6.318  -7.224
   41    HD3  LYS   6           HD3      LYS   6   1.285  -6.570  -8.397
   42    HE2  LYS   6           HE2      LYS   6   1.945  -7.877  -6.594
   43    HE3  LYS   6           HE3      LYS   6   2.859  -6.387  -6.362
   44    HZ1  LYS   6           HZ1      LYS   6   1.177  -5.659  -4.775
   45    HZ2  LYS   6           HZ2      LYS   6   1.877  -7.122  -4.294
   46    HZ3  LYS   6           HZ3      LYS   6   0.331  -7.110  -4.981
   47    H    LEU   7           H        LEU   7  -1.084  -1.434  -8.850
   48    HA   LEU   7           HA       LEU   7  -1.931  -1.575 -11.607
   49    HB2  LEU   7           HB2      LEU   7  -3.251   0.110  -9.518
   50    HB3  LEU   7           HB3      LEU   7  -3.971  -0.718 -10.897
   51    HG   LEU   7           HG       LEU   7  -2.869  -2.144  -8.481
   52   HD11  LEU   7          HD11      LEU   7  -5.561  -2.441  -8.341
   53   HD12  LEU   7          HD12      LEU   7  -5.429  -0.778  -8.912
   54   HD13  LEU   7          HD13      LEU   7  -4.633  -1.261  -7.414
   55   HD21  LEU   7          HD21      LEU   7  -4.692  -3.787  -9.557
   56   HD22  LEU   7          HD22      LEU   7  -2.987  -3.807 -10.010
   57   HD23  LEU   7          HD23      LEU   7  -4.158  -2.951 -11.015
   58    H    VAL   8           H        VAL   8  -0.642   0.841  -9.399
   59    HA   VAL   8           HA       VAL   8  -1.051   3.092 -11.067
   60    HB   VAL   8           HB       VAL   8   1.005   2.670  -8.893
   61   HG11  VAL   8          HG11      VAL   8   0.408   5.367  -9.048
   62   HG12  VAL   8          HG12      VAL   8   1.883   4.586  -9.621
   63   HG13  VAL   8          HG13      VAL   8   0.542   4.865 -10.733
   64   HG21  VAL   8          HG21      VAL   8  -0.520   3.453  -7.363
   65   HG22  VAL   8          HG22      VAL   8  -1.468   4.308  -8.580
   66   HG23  VAL   8          HG23      VAL   8  -1.578   2.553  -8.450
   67    H    ALA   9           H        ALA   9   1.361   0.600 -10.985
   68    HA   ALA   9           HA       ALA   9   3.479   1.865 -12.292
   69    HB1  ALA   9           HB1      ALA   9   2.629  -0.919 -11.843
   70    HB2  ALA   9           HB2      ALA   9   3.721  -0.658 -13.204
   71    HB3  ALA   9           HB3      ALA   9   4.196  -0.151 -11.583
   72    H    LYS  10           H        LYS  10   0.408   0.866 -13.473
   73    HA   LYS  10           HA       LYS  10   1.300   1.347 -16.241
   74    HB2  LYS  10           HB2      LYS  10  -1.135  -0.223 -15.389
   75    HB3  LYS  10           HB3      LYS  10  -0.468  -0.091 -17.011
   76    HG2  LYS  10           HG2      LYS  10   0.953  -1.371 -14.687
   77    HG3  LYS  10           HG3      LYS  10   0.017  -2.248 -15.900
   78    HD2  LYS  10           HD2      LYS  10   2.149  -0.395 -16.834
   79    HD3  LYS  10           HD3      LYS  10   2.635  -1.935 -16.123
   80    HE2  LYS  10           HE2      LYS  10   2.459  -2.389 -18.408
   81    HE3  LYS  10           HE3      LYS  10   0.948  -2.994 -17.731
   82    HZ1  LYS  10           HZ1      LYS  10   1.013  -0.235 -18.706
   83    HZ2  LYS  10           HZ2      LYS  10  -0.258  -1.352 -18.712
   84    HZ3  LYS  10           HZ3      LYS  10   0.983  -1.478 -19.854
   85    H    PHE  11           H        PHE  11  -0.962   2.171 -13.736
   86    HA   PHE  11           HA       PHE  11  -2.576   3.822 -15.495
   87    HB2  PHE  11           HB2      PHE  11  -2.686   3.328 -12.515
   88    HB3  PHE  11           HB3      PHE  11  -3.802   4.381 -13.378
   89    HD1  PHE  11           HD2      PHE  11  -4.276   2.823 -15.832
   90    HD2  PHE  11           HD1      PHE  11  -4.010   1.575 -11.771
   91    HE1  PHE  11           HE2      PHE  11  -5.712   0.889 -16.335
   92    HE2  PHE  11           HE1      PHE  11  -5.445  -0.361 -12.268
   93    HZ   PHE  11           HZ       PHE  11  -6.299  -0.705 -14.552
   94    H    GLY  12           H        GLY  12  -0.788   4.437 -12.463
   95    HA2  GLY  12           HA2      GLY  12   0.942   6.173 -12.467
   96    HA3  GLY  12           HA3      GLY  12  -0.086   7.089 -13.560
   97    H    TRP  13           H        TRP  13   0.777   8.438 -11.458
   98    HA   TRP  13           HA       TRP  13  -0.807   8.217  -9.117
   99    HB2  TRP  13           HB2      TRP  13   0.378  10.837  -9.931
  100    HB3  TRP  13           HB3      TRP  13   0.331  10.071  -8.345
  101    HD1  TRP  13           HD1      TRP  13   2.729  10.915 -10.907
  102    HE1  TRP  13           HE1      TRP  13   4.856   9.475 -10.741
  103    HE3  TRP  13           HE3      TRP  13   0.979   7.237  -7.818
  104    HZ2  TRP  13           HZ2      TRP  13   5.683   7.095  -9.469
  105    HZ3  TRP  13           HZ3      TRP  13   2.502   5.414  -7.175
  106    HH2  TRP  13           HH2      TRP  13   4.804   5.346  -7.984
  107    HA   PRO  14           HA       PRO  14  -3.328  11.866 -11.074
  108    HB2  PRO  14           HB2      PRO  14  -3.019  12.259 -13.742
  109    HB3  PRO  14           HB3      PRO  14  -2.024  13.074 -12.529
  110    HG2  PRO  14           HG2      PRO  14  -1.397  10.656 -14.179
  111    HG3  PRO  14           HG3      PRO  14  -0.363  12.043 -13.789
  112    HD2  PRO  14           HD2      PRO  14  -0.171   9.673 -12.494
  113    HD3  PRO  14           HD3      PRO  14   0.160  11.225 -11.699
  114    H    PHE  15           H        PHE  15  -2.845   8.750 -12.315
  115    HA   PHE  15           HA       PHE  15  -5.473   8.697 -13.619
  116    HB2  PHE  15           HB2      PHE  15  -3.235   7.744 -14.634
  117    HB3  PHE  15           HB3      PHE  15  -3.614   6.354 -13.622
  118    HD1  PHE  15           HD2      PHE  15  -5.579   4.991 -14.065
  119    HD2  PHE  15           HD1      PHE  15  -4.562   8.285 -16.560
  120    HE1  PHE  15           HE2      PHE  15  -7.115   4.151 -15.794
  121    HE2  PHE  15           HE1      PHE  15  -6.097   7.452 -18.293
  122    HZ   PHE  15           HZ       PHE  15  -7.375   5.381 -17.912
  123    H    ILE  16           H        ILE  16  -3.578   7.156 -11.072
  124    HA   ILE  16           HA       ILE  16  -5.628   5.320 -10.310
  125    HB   ILE  16           HB       ILE  16  -3.190   4.985  -9.844
  126   HG12  ILE  16          HG12      ILE  16  -3.864   4.544  -7.204
  127   HG13  ILE  16          HG13      ILE  16  -5.432   4.588  -8.002
  128   HG21  ILE  16          HG21      ILE  16  -2.791   7.332  -9.095
  129   HG22  ILE  16          HG22      ILE  16  -3.632   6.941  -7.597
  130   HG23  ILE  16          HG23      ILE  16  -2.136   6.104  -8.012
  131   HD11  ILE  16          HD11      ILE  16  -3.972   2.371  -7.758
  132   HD12  ILE  16          HD12      ILE  16  -5.069   2.658  -9.109
  133   HD13  ILE  16          HD13      ILE  16  -3.342   2.959  -9.297
  134    H    LYS  17           H        LYS  17  -4.772   8.583  -9.423
  135    HA   LYS  17           HA       LYS  17  -6.330   8.693  -7.037
  136    HB2  LYS  17           HB2      LYS  17  -5.868  11.029  -7.025
  137    HB3  LYS  17           HB3      LYS  17  -4.418  10.229  -7.618
  138    HG2  LYS  17           HG2      LYS  17  -5.057  10.791  -9.916
  139    HG3  LYS  17           HG3      LYS  17  -6.494  11.615  -9.305
  140    HD2  LYS  17           HD2      LYS  17  -3.658  12.344  -8.575
  141    HD3  LYS  17           HD3      LYS  17  -4.610  13.150  -9.824
  142    HE2  LYS  17           HE2      LYS  17  -6.351  13.469  -7.924
  143    HE3  LYS  17           HE3      LYS  17  -4.985  13.154  -6.854
  144    HZ1  LYS  17           HZ1      LYS  17  -5.642  15.528  -8.240
  145    HZ2  LYS  17           HZ2      LYS  17  -4.108  14.999  -8.719
  146    HZ3  LYS  17           HZ3      LYS  17  -4.435  15.273  -7.082
  147    H    LYS  18           H        LYS  18  -7.068   8.861 -10.375
  148    HA   LYS  18           HA       LYS  18  -9.418  10.448 -10.235
  149    HB2  LYS  18           HB2      LYS  18  -7.910   9.242 -12.254
  150    HB3  LYS  18           HB3      LYS  18  -9.481   8.457 -12.344
  151    HG2  LYS  18           HG2      LYS  18  -9.139  11.443 -12.301
  152    HG3  LYS  18           HG3      LYS  18  -9.187  10.491 -13.787
  153    HD2  LYS  18           HD2      LYS  18 -11.407  10.636 -13.731
  154    HD3  LYS  18           HD3      LYS  18 -11.387   9.648 -12.269
  155    HE2  LYS  18           HE2      LYS  18 -12.378  11.414 -11.308
  156    HE3  LYS  18           HE3      LYS  18 -10.758  12.108 -11.281
  157    HZ1  LYS  18           HZ1      LYS  18 -13.047  12.944 -12.749
  158    HZ2  LYS  18           HZ2      LYS  18 -11.738  12.666 -13.783
  159    HZ3  LYS  18           HZ3      LYS  18 -11.582  13.752 -12.496
  160    H    PHE  19           H        PHE  19  -8.716   7.172  -9.444
  161    HA   PHE  19           HA       PHE  19 -11.480   6.777  -8.622
  162    HB2  PHE  19           HB2      PHE  19 -10.045   4.871 -10.482
  163    HB3  PHE  19           HB3      PHE  19 -11.572   4.527  -9.676
  164    HD1  PHE  19           HD2      PHE  19 -13.493   6.224 -10.114
  165    HD2  PHE  19           HD1      PHE  19 -10.055   5.806 -12.588
  166    HE1  PHE  19           HE2      PHE  19 -14.713   7.266 -11.979
  167    HE2  PHE  19           HE1      PHE  19 -11.269   6.849 -14.457
  168    HZ   PHE  19           HZ       PHE  19 -13.601   7.579 -14.154
  169    H    TYR  20           H        TYR  20  -9.111   7.230  -7.137
  170    HA   TYR  20           HA       TYR  20  -8.057   4.766  -6.151
  171    HB2  TYR  20           HB2      TYR  20  -6.909   7.032  -6.086
  172    HB3  TYR  20           HB3      TYR  20  -7.976   7.437  -4.746
  173    HD1  TYR  20           HD2      TYR  20  -5.218   5.244  -5.828
  174    HD2  TYR  20           HD1      TYR  20  -7.602   6.553  -2.556
  175    HE1  TYR  20           HE2      TYR  20  -3.649   4.175  -4.265
  176    HE2  TYR  20           HE1      TYR  20  -6.039   5.488  -0.984
  177    HH   TYR  20           HH       TYR  20  -3.697   4.767  -0.921
  178    H    LYS  21           H        LYS  21 -10.999   6.275  -5.725
  179    HA   LYS  21           HA       LYS  21 -11.439   5.630  -2.962
  180    HB2  LYS  21           HB2      LYS  21 -12.643   7.479  -3.996
  181    HB3  LYS  21           HB3      LYS  21 -13.371   6.383  -5.163
  182    HG2  LYS  21           HG2      LYS  21 -14.925   6.993  -3.379
  183    HG3  LYS  21           HG3      LYS  21 -14.588   5.260  -3.394
  184    HD2  LYS  21           HD2      LYS  21 -13.187   5.417  -1.501
  185    HD3  LYS  21           HD3      LYS  21 -13.095   7.175  -1.619
  186    HE2  LYS  21           HE2      LYS  21 -15.695   5.752  -1.139
  187    HE3  LYS  21           HE3      LYS  21 -14.611   6.175   0.186
  188    HZ1  LYS  21           HZ1      LYS  21 -14.768   8.486  -0.444
  189    HZ2  LYS  21           HZ2      LYS  21 -16.318   7.861  -0.185
  190    HZ3  LYS  21           HZ3      LYS  21 -15.757   8.102  -1.762
  191    H    GLN  22           H        GLN  22 -11.763   3.990  -5.988
  192    HA   GLN  22           HA       GLN  22 -13.222   1.798  -4.674
  193    HB2  GLN  22           HB2      GLN  22 -13.596   1.030  -7.086
  194    HB3  GLN  22           HB3      GLN  22 -14.469   2.461  -6.552
  195    HG2  GLN  22           HG2      GLN  22 -11.838   2.827  -7.881
  196    HG3  GLN  22           HG3      GLN  22 -13.229   2.381  -8.869
  197   HE21  GLN  22          HE21      GLN  22 -14.956   3.813  -9.058
  198   HE22  GLN  22          HE22      GLN  22 -14.810   5.483  -8.641
  199    H    ILE  23           H        ILE  23 -10.390   2.604  -6.597
  200    HA   ILE  23           HA       ILE  23  -9.431   0.004  -7.036
  201    HB   ILE  23           HB       ILE  23  -7.865   2.569  -6.734
  202   HG12  ILE  23          HG12      ILE  23  -8.511   1.200  -9.325
  203   HG13  ILE  23          HG13      ILE  23  -9.699   2.259  -8.571
  204   HG21  ILE  23          HG21      ILE  23  -6.334   0.790  -6.444
  205   HG22  ILE  23          HG22      ILE  23  -7.072  -0.152  -7.738
  206   HG23  ILE  23          HG23      ILE  23  -6.168   1.312  -8.121
  207   HD11  ILE  23          HD11      ILE  23  -6.980   2.955  -9.619
  208   HD12  ILE  23          HD12      ILE  23  -8.549   3.599 -10.102
  209   HD13  ILE  23          HD13      ILE  23  -7.870   4.018  -8.530
  210    H    MET  24           H        MET  24  -8.412   2.362  -4.556
  211    HA   MET  24           HA       MET  24  -6.731   0.640  -3.141
  212    HB2  MET  24           HB2      MET  24  -6.922   3.156  -2.906
  213    HB3  MET  24           HB3      MET  24  -8.344   2.874  -1.910
  214    HG2  MET  24           HG2      MET  24  -6.514   1.245  -0.727
  215    HG3  MET  24           HG3      MET  24  -5.508   2.586  -1.271
  216    HE1  MET  24           HE1      MET  24  -8.826   2.401   1.740
  217    HE2  MET  24           HE2      MET  24  -9.445   3.247   0.322
  218    HE3  MET  24           HE3      MET  24  -8.770   1.625   0.157
  219    H    GLN  25           H        GLN  25 -10.165   0.820  -3.257
  220    HA   GLN  25           HA       GLN  25 -10.597  -0.544  -0.752
  221    HB2  GLN  25           HB2      GLN  25 -12.305   0.546  -2.924
  222    HB3  GLN  25           HB3      GLN  25 -12.976  -0.763  -1.960
  223    HG2  GLN  25           HG2      GLN  25 -11.779   1.661  -0.675
  224    HG3  GLN  25           HG3      GLN  25 -13.449   1.644  -1.240
  225   HE21  GLN  25          HE21      GLN  25 -12.104   1.731   1.474
  226   HE22  GLN  25          HE22      GLN  25 -12.912   0.502   2.380
  227    H    PHE  26           H        PHE  26 -10.761  -1.362  -4.198
  228    HA   PHE  26           HA       PHE  26 -11.714  -3.946  -4.038
  229    HB2  PHE  26           HB2      PHE  26  -9.718  -2.705  -5.930
  230    HB3  PHE  26           HB3      PHE  26 -10.323  -4.346  -6.135
  231    HD1  PHE  26           HD1      PHE  26 -13.142  -4.071  -5.436
  232    HD2  PHE  26           HD2      PHE  26 -10.612  -1.479  -7.671
  233    HE1  PHE  26           HE1      PHE  26 -15.103  -3.199  -6.638
  234    HE2  PHE  26           HE2      PHE  26 -12.569  -0.601  -8.875
  235    HZ   PHE  26           HZ       PHE  26 -14.819  -1.460  -8.359
  236    H    ILE  27           H        ILE  27  -8.483  -2.739  -3.402
  237    HA   ILE  27           HA       ILE  27  -7.048  -5.119  -3.383
  238    HB   ILE  27           HB       ILE  27  -6.656  -2.755  -1.544
  239   HG12  ILE  27          HG12      ILE  27  -5.460  -3.353  -4.260
  240   HG13  ILE  27          HG13      ILE  27  -6.673  -2.122  -3.923
  241   HG21  ILE  27          HG21      ILE  27  -5.368  -5.260  -1.617
  242   HG22  ILE  27          HG22      ILE  27  -4.243  -4.084  -2.296
  243   HG23  ILE  27          HG23      ILE  27  -4.916  -3.832  -0.686
  244   HD11  ILE  27          HD11      ILE  27  -5.118  -0.877  -2.594
  245   HD12  ILE  27          HD12      ILE  27  -3.915  -2.160  -2.727
  246   HD13  ILE  27          HD13      ILE  27  -4.380  -1.235  -4.155
  247    H    GLY  28           H        GLY  28  -8.849  -3.572  -0.734
  248    HA2  GLY  28           HA2      GLY  28  -8.255  -5.659   1.137
  249    HA3  GLY  28           HA3      GLY  28  -9.424  -4.365   1.356
  250    H    GLN  29           H        GLN  29 -10.598  -5.266  -1.341
  251    HA   GLN  29           HA       GLN  29 -12.594  -6.972  -0.197
  252    HB2  GLN  29           HB2      GLN  29 -13.318  -5.355  -1.800
  253    HB3  GLN  29           HB3      GLN  29 -12.151  -5.919  -2.989
  254    HG2  GLN  29           HG2      GLN  29 -13.452  -7.626  -3.660
  255    HG3  GLN  29           HG3      GLN  29 -14.075  -7.931  -2.039
  256   HE21  GLN  29          HE21      GLN  29 -14.365  -5.879  -4.869
  257   HE22  GLN  29          HE22      GLN  29 -15.989  -5.373  -4.569
  258    H    GLY  30           H        GLY  30  -9.718  -7.430  -2.076
  259    HA2  GLY  30           HA2      GLY  30  -8.696  -9.643  -1.975
  260    HA3  GLY  30           HA3      GLY  30 -10.305 -10.323  -2.160
  261    H    TRP  31           H        TRP  31  -9.533  -7.566  -4.066
  262    HA   TRP  31           HA       TRP  31  -9.782  -9.134  -6.478
  263    HB2  TRP  31           HB2      TRP  31  -9.637  -6.204  -5.858
  264    HB3  TRP  31           HB3      TRP  31  -9.389  -6.762  -7.510
  265    HD1  TRP  31           HD1      TRP  31 -11.937  -8.598  -5.369
  266    HE1  TRP  31           HE1      TRP  31 -14.297  -8.101  -6.267
  267    HE3  TRP  31           HE3      TRP  31 -10.771  -4.929  -8.734
  268    HZ2  TRP  31           HZ2      TRP  31 -15.505  -6.382  -8.152
  269    HZ3  TRP  31           HZ3      TRP  31 -12.587  -3.911 -10.045
  270    HH2  TRP  31           HH2      TRP  31 -14.904  -4.624  -9.759
  271    H    THR  32           H        THR  32  -8.211  -9.637  -7.914
  272    HA   THR  32           HA       THR  32  -5.471  -9.360  -7.035
  273    HB   THR  32           HB       THR  32  -4.891 -10.809  -8.888
  274    HG1  THR  32           HG1      THR  32  -6.605 -11.504 -10.319
  275   HG21  THR  32          HG21      THR  32  -5.962 -11.763  -6.812
  276   HG22  THR  32          HG22      THR  32  -6.074 -12.775  -8.252
  277   HG23  THR  32          HG23      THR  32  -7.471 -11.840  -7.720
  278    H    ILE  33           H        ILE  33  -3.845  -8.960  -8.961
  279    HA   ILE  33           HA       ILE  33  -4.017  -6.240  -9.621
  280    HB   ILE  33           HB       ILE  33  -2.295  -8.342 -10.939
  281   HG12  ILE  33          HG12      ILE  33  -0.699  -6.923  -9.208
  282   HG13  ILE  33          HG13      ILE  33  -2.207  -7.045  -8.308
  283   HG21  ILE  33          HG21      ILE  33  -1.890  -6.614 -12.327
  284   HG22  ILE  33          HG22      ILE  33  -2.484  -5.415 -11.180
  285   HG23  ILE  33          HG23      ILE  33  -0.853  -6.064 -11.011
  286   HD11  ILE  33          HD11      ILE  33  -1.766  -9.142  -7.772
  287   HD12  ILE  33          HD12      ILE  33  -1.549  -9.580  -9.466
  288   HD13  ILE  33          HD13      ILE  33  -0.187  -8.959  -8.535
  289    H    ASP  34           H        ASP  34  -4.992  -9.119 -11.347
  290    HA   ASP  34           HA       ASP  34  -5.367  -7.828 -13.872
  291    HB2  ASP  34           HB2      ASP  34  -4.969 -10.271 -13.632
  292    HB3  ASP  34           HB3      ASP  34  -6.554 -10.427 -12.878
  293    H    GLN  35           H        GLN  35  -7.376  -8.490 -11.075
  294    HA   GLN  35           HA       GLN  35  -9.897  -8.028 -12.150
  295    HB2  GLN  35           HB2      GLN  35  -8.692  -7.876  -9.448
  296    HB3  GLN  35           HB3      GLN  35 -10.214  -7.022  -9.670
  297    HG2  GLN  35           HG2      GLN  35 -10.779  -9.160  -8.884
  298    HG3  GLN  35           HG3      GLN  35 -11.142  -9.169 -10.609
  299   HE21  GLN  35          HE21      GLN  35  -9.361 -10.015 -12.011
  300   HE22  GLN  35          HE22      GLN  35  -8.490 -11.392 -11.436
  301    H    ILE  36           H        ILE  36  -7.785  -5.678 -10.495
  302    HA   ILE  36           HA       ILE  36  -9.427  -3.448 -11.136
  303    HB   ILE  36           HB       ILE  36  -6.524  -3.506 -10.306
  304   HG12  ILE  36          HG12      ILE  36  -7.852  -2.634  -8.136
  305   HG13  ILE  36          HG13      ILE  36  -9.097  -3.664  -8.833
  306   HG21  ILE  36          HG21      ILE  36  -6.664  -1.366 -11.030
  307   HG22  ILE  36          HG22      ILE  36  -8.420  -1.314 -10.882
  308   HG23  ILE  36          HG23      ILE  36  -7.408  -1.131  -9.449
  309   HD11  ILE  36          HD11      ILE  36  -7.870  -5.581  -8.523
  310   HD12  ILE  36          HD12      ILE  36  -6.332  -4.718  -8.487
  311   HD13  ILE  36          HD13      ILE  36  -7.425  -4.630  -7.106
  312    H    GLU  37           H        GLU  37  -6.316  -4.596 -12.435
  313    HA   GLU  37           HA       GLU  37  -5.877  -2.646 -14.337
  314    HB2  GLU  37           HB2      GLU  37  -5.197  -5.571 -14.258
  315    HB3  GLU  37           HB3      GLU  37  -4.763  -4.586 -15.647
  316    HG2  GLU  37           HG2      GLU  37  -3.481  -3.099 -14.194
  317    HG3  GLU  37           HG3      GLU  37  -3.914  -4.090 -12.802
  318    H    LYS  38           H        LYS  38  -7.989  -5.454 -14.493
  319    HA   LYS  38           HA       LYS  38  -8.699  -4.930 -17.257
  320    HB2  LYS  38           HB2      LYS  38  -8.491  -7.250 -16.306
  321    HB3  LYS  38           HB3      LYS  38  -9.933  -6.924 -15.352
  322    HG2  LYS  38           HG2      LYS  38 -11.296  -6.793 -17.266
  323    HG3  LYS  38           HG3      LYS  38  -9.902  -6.694 -18.345
  324    HD2  LYS  38           HD2      LYS  38  -9.277  -9.009 -17.537
  325    HD3  LYS  38           HD3      LYS  38 -10.866  -9.073 -16.770
  326    HE2  LYS  38           HE2      LYS  38 -11.122 -10.131 -18.861
  327    HE3  LYS  38           HE3      LYS  38 -11.832  -8.529 -19.049
  328    HZ1  LYS  38           HZ1      LYS  38 -10.542  -8.414 -20.850
  329    HZ2  LYS  38           HZ2      LYS  38  -9.545  -9.689 -20.359
  330    HZ3  LYS  38           HZ3      LYS  38  -9.267  -8.125 -19.776
  331    H    TRP  39           H        TRP  39  -9.886  -4.234 -14.083
  332    HA   TRP  39           HA       TRP  39 -12.593  -3.761 -14.682
  333    HB2  TRP  39           HB2      TRP  39 -11.799  -3.971 -12.384
  334    HB3  TRP  39           HB3      TRP  39 -10.838  -2.505 -12.561
  335    HD1  TRP  39           HD1      TRP  39 -14.299  -3.699 -11.708
  336    HE1  TRP  39           HE1      TRP  39 -15.798  -1.680 -11.160
  337    HE3  TRP  39           HE3      TRP  39 -11.205   0.058 -13.273
  338    HZ2  TRP  39           HZ2      TRP  39 -15.684   1.133 -11.365
  339    HZ3  TRP  39           HZ3      TRP  39 -11.975   2.385 -13.063
  340    HH2  TRP  39           HH2      TRP  39 -14.169   2.910 -12.128
  341    H    LEU  40           H        LEU  40  -9.730  -1.734 -14.937
  342    HA   LEU  40           HA       LEU  40 -10.942   0.742 -15.334
  343    HB2  LEU  40           HB2      LEU  40  -8.401  -0.108 -15.220
  344    HB3  LEU  40           HB3      LEU  40  -8.552   0.121 -16.961
  345    HG   LEU  40           HG       LEU  40  -7.600   2.101 -16.055
  346   HD11  LEU  40          HD11      LEU  40  -9.770   2.130 -17.625
  347   HD12  LEU  40          HD12      LEU  40  -8.921   3.591 -17.120
  348   HD13  LEU  40          HD13      LEU  40 -10.377   3.079 -16.267
  349   HD21  LEU  40          HD21      LEU  40  -8.078   1.989 -13.760
  350   HD22  LEU  40          HD22      LEU  40  -9.819   1.923 -14.037
  351   HD23  LEU  40          HD23      LEU  40  -8.934   3.421 -14.332
  352    H    LYS  41           H        LYS  41  -9.695  -1.438 -17.872
  353    HA   LYS  41           HA       LYS  41 -10.788  -0.076 -20.042
  354    HB2  LYS  41           HB2      LYS  41  -9.880  -2.888 -19.586
  355    HB3  LYS  41           HB3      LYS  41 -10.732  -2.503 -21.076
  356    HG2  LYS  41           HG2      LYS  41  -8.605  -2.151 -21.775
  357    HG3  LYS  41           HG3      LYS  41  -8.956  -0.539 -21.147
  358    HD2  LYS  41           HD2      LYS  41  -7.775  -0.963 -19.140
  359    HD3  LYS  41           HD3      LYS  41  -7.688  -2.694 -19.472
  360    HE2  LYS  41           HE2      LYS  41  -6.392  -0.616 -21.222
  361    HE3  LYS  41           HE3      LYS  41  -5.566  -1.375 -19.862
  362    HZ1  LYS  41           HZ1      LYS  41  -6.518  -2.628 -22.362
  363    HZ2  LYS  41           HZ2      LYS  41  -6.192  -3.554 -20.985
  364    HZ3  LYS  41           HZ3      LYS  41  -4.961  -2.641 -21.701
  365    H    ARG  42           H        ARG  42 -12.269  -2.220 -17.758
  366    HA   ARG  42           HA       ARG  42 -14.587  -2.787 -19.356
  367    HB2  ARG  42           HB2      ARG  42 -13.763  -3.321 -16.531
  368    HB3  ARG  42           HB3      ARG  42 -15.457  -3.484 -16.973
  369    HG2  ARG  42           HG2      ARG  42 -14.839  -5.101 -18.709
  370    HG3  ARG  42           HG3      ARG  42 -13.148  -4.954 -18.226
  371    HD2  ARG  42           HD2      ARG  42 -13.724  -6.796 -17.012
  372    HD3  ARG  42           HD3      ARG  42 -14.150  -5.538 -15.851
  373    HE   ARG  42           HE       ARG  42 -16.373  -6.114 -17.483
  374   HH11  ARG  42          HH11      ARG  42 -14.467  -7.495 -14.918
  375   HH12  ARG  42          HH12      ARG  42 -15.771  -8.442 -14.282
  376   HH21  ARG  42          HH21      ARG  42 -18.098  -7.356 -16.656
  377   HH22  ARG  42          HH22      ARG  42 -17.836  -8.364 -15.273
  378    H    HIS  43           H        HIS  43 -13.623  -0.332 -17.097
  379    HA   HIS  43           HA       HIS  43 -16.192   0.640 -16.420
  380    HB2  HIS  43           HB2      HIS  43 -14.168   1.187 -15.126
  381    HB3  HIS  43           HB3      HIS  43 -13.552   2.118 -16.489
  382    HD1  HIS  43           HD1      HIS  43 -17.005   2.189 -14.892
  383    HD2  HIS  43           HD2      HIS  43 -13.778   4.688 -15.669
  384    HE1  HIS  43           HE1      HIS  43 -17.735   4.480 -14.154
  Start of MODEL   11
    1    HCN  FME   1           HF       FME   1  -3.803  -4.260   0.841
    2    HA   FME   1           HA       FME   1  -0.412  -2.973   0.779
    3    HB2  FME   1           HB2      FME   1  -0.122  -5.437   2.546
    4    HB3  FME   1           HB3      FME   1  -0.511  -3.731   2.963
    5    HG2  FME   1           HG2      FME   1   1.863  -3.105   2.076
    6    HG3  FME   1           HG3      FME   1   2.223  -4.869   2.067
    7    HE1  FME   1           HE8      FME   1   4.263  -3.815   3.956
    8    HE2  FME   1           HE2      FME   1   3.711  -2.764   5.323
    9    HE3  FME   1           HE3      FME   1   3.393  -2.267   3.603
   10    H    GLY   2           H        GLY   2   0.469  -2.609  -1.011
   11    HA2  GLY   2           HA2      GLY   2   2.401  -2.765  -2.355
   12    HA3  GLY   2           HA3      GLY   2   2.574  -4.446  -1.872
   13    H    ALA   3           H        ALA   3  -0.362  -2.942  -3.115
   14    HA   ALA   3           HA       ALA   3  -0.109  -4.622  -5.525
   15    HB1  ALA   3           HB1      ALA   3  -2.669  -3.923  -4.092
   16    HB2  ALA   3           HB2      ALA   3  -2.498  -4.970  -5.502
   17    HB3  ALA   3           HB3      ALA   3  -1.817  -5.461  -3.951
   18    H    ILE   4           H        ILE   4  -1.326  -1.604  -4.160
   19    HA   ILE   4           HA       ILE   4  -2.465  -0.464  -6.413
   20    HB   ILE   4           HB       ILE   4  -0.896   0.953  -4.256
   21   HG12  ILE   4          HG12      ILE   4  -2.729  -0.405  -3.357
   22   HG13  ILE   4          HG13      ILE   4  -3.090   1.312  -3.206
   23   HG21  ILE   4          HG21      ILE   4  -2.401   1.897  -6.589
   24   HG22  ILE   4          HG22      ILE   4  -2.819   2.688  -5.070
   25   HG23  ILE   4          HG23      ILE   4  -1.151   2.702  -5.640
   26   HD11  ILE   4          HD11      ILE   4  -4.244  -0.660  -5.149
   27   HD12  ILE   4          HD12      ILE   4  -5.078   0.273  -3.905
   28   HD13  ILE   4          HD13      ILE   4  -4.429   1.084  -5.330
   29    H    ALA   5           H        ALA   5   0.882  -0.952  -5.630
   30    HA   ALA   5           HA       ALA   5   2.017   0.939  -7.397
   31    HB1  ALA   5           HB1      ALA   5   3.473  -1.586  -6.865
   32    HB2  ALA   5           HB2      ALA   5   4.029   0.086  -6.779
   33    HB3  ALA   5           HB3      ALA   5   3.048  -0.585  -5.476
   34    H    LYS   6           H        LYS   6   0.992  -2.409  -7.801
   35    HA   LYS   6           HA       LYS   6   2.077  -2.733 -10.412
   36    HB2  LYS   6           HB2      LYS   6  -0.062  -4.227  -8.896
   37    HB3  LYS   6           HB3      LYS   6   0.475  -4.695 -10.504
   38    HG2  LYS   6           HG2      LYS   6   2.459  -4.375  -8.293
   39    HG3  LYS   6           HG3      LYS   6   1.497  -5.849  -8.428
   40    HD2  LYS   6           HD2      LYS   6   2.300  -5.740 -10.935
   41    HD3  LYS   6           HD3      LYS   6   3.606  -4.778 -10.240
   42    HE2  LYS   6           HE2      LYS   6   4.274  -7.095 -10.337
   43    HE3  LYS   6           HE3      LYS   6   4.068  -6.612  -8.654
   44    HZ1  LYS   6           HZ1      LYS   6   3.002  -8.816  -9.726
   45    HZ2  LYS   6           HZ2      LYS   6   1.713  -7.736  -9.906
   46    HZ3  LYS   6           HZ3      LYS   6   2.367  -8.024  -8.373
   47    H    LEU   7           H        LEU   7  -0.854  -1.368  -9.158
   48    HA   LEU   7           HA       LEU   7  -2.209  -1.395 -11.716
   49    HB2  LEU   7           HB2      LEU   7  -3.091   0.234  -9.372
   50    HB3  LEU   7           HB3      LEU   7  -4.064  -0.553 -10.614
   51    HG   LEU   7           HG       LEU   7  -2.562  -2.045  -8.468
   52   HD11  LEU   7          HD11      LEU   7  -5.323  -2.223  -8.037
   53   HD12  LEU   7          HD12      LEU   7  -4.979  -0.510  -8.279
   54   HD13  LEU   7          HD13      LEU   7  -4.124  -1.413  -7.028
   55   HD21  LEU   7          HD21      LEU   7  -4.501  -3.691  -9.200
   56   HD22  LEU   7          HD22      LEU   7  -2.961  -3.629 -10.058
   57   HD23  LEU   7          HD23      LEU   7  -4.368  -2.786 -10.707
   58    H    VAL   8           H        VAL   8  -0.924   1.091  -9.512
   59    HA   VAL   8           HA       VAL   8  -1.377   3.269 -11.249
   60    HB   VAL   8           HB       VAL   8   0.655   3.006  -9.028
   61   HG11  VAL   8          HG11      VAL   8  -0.069   5.655  -9.224
   62   HG12  VAL   8          HG12      VAL   8   1.434   4.946  -9.817
   63   HG13  VAL   8          HG13      VAL   8   0.063   5.148 -10.908
   64   HG21  VAL   8          HG21      VAL   8  -0.964   3.453  -7.541
   65   HG22  VAL   8          HG22      VAL   8  -1.751   4.622  -8.602
   66   HG23  VAL   8          HG23      VAL   8  -2.062   2.898  -8.805
   67    H    ALA   9           H        ALA   9   1.093   0.862 -11.124
   68    HA   ALA   9           HA       ALA   9   3.228   2.170 -12.346
   69    HB1  ALA   9           HB1      ALA   9   2.402  -0.611 -11.935
   70    HB2  ALA   9           HB2      ALA   9   3.441  -0.356 -13.339
   71    HB3  ALA   9           HB3      ALA   9   3.983   0.148 -11.738
   72    H    LYS  10           H        LYS  10   0.206   1.135 -13.650
   73    HA   LYS  10           HA       LYS  10   1.160   1.760 -16.368
   74    HB2  LYS  10           HB2      LYS  10  -1.234   0.061 -15.659
   75    HB3  LYS  10           HB3      LYS  10  -0.521   0.284 -17.251
   76    HG2  LYS  10           HG2      LYS  10   1.492  -0.879 -16.528
   77    HG3  LYS  10           HG3      LYS  10   0.804  -1.081 -14.916
   78    HD2  LYS  10           HD2      LYS  10   0.419  -3.128 -16.007
   79    HD3  LYS  10           HD3      LYS  10  -1.128  -2.280 -16.068
   80    HE2  LYS  10           HE2      LYS  10   0.797  -1.965 -18.325
   81    HE3  LYS  10           HE3      LYS  10  -0.144  -3.451 -18.203
   82    HZ1  LYS  10           HZ1      LYS  10  -1.786  -1.162 -17.825
   83    HZ2  LYS  10           HZ2      LYS  10  -1.935  -2.411 -18.956
   84    HZ3  LYS  10           HZ3      LYS  10  -0.964  -1.070 -19.302
   85    H    PHE  11           H        PHE  11  -1.329   2.273 -13.959
   86    HA   PHE  11           HA       PHE  11  -2.959   3.919 -15.663
   87    HB2  PHE  11           HB2      PHE  11  -3.008   3.504 -12.666
   88    HB3  PHE  11           HB3      PHE  11  -4.222   4.394 -13.578
   89    HD1  PHE  11           HD1      PHE  11  -4.520   2.660 -15.949
   90    HD2  PHE  11           HD2      PHE  11  -4.168   1.679 -11.822
   91    HE1  PHE  11           HE1      PHE  11  -5.756   0.570 -16.343
   92    HE2  PHE  11           HE2      PHE  11  -5.403  -0.413 -12.210
   93    HZ   PHE  11           HZ       PHE  11  -6.198  -0.971 -14.473
   94    H    GLY  12           H        GLY  12  -1.226   4.661 -12.628
   95    HA2  GLY  12           HA2      GLY  12   0.438   6.477 -12.677
   96    HA3  GLY  12           HA3      GLY  12  -0.653   7.333 -13.756
   97    H    TRP  13           H        TRP  13   0.168   8.733 -11.671
   98    HA   TRP  13           HA       TRP  13  -1.364   8.436  -9.305
   99    HB2  TRP  13           HB2      TRP  13  -0.330  11.109 -10.157
  100    HB3  TRP  13           HB3      TRP  13  -0.328  10.365  -8.561
  101    HD1  TRP  13           HD1      TRP  13   2.017  11.313 -11.124
  102    HE1  TRP  13           HE1      TRP  13   4.212   9.978 -10.963
  103    HE3  TRP  13           HE3      TRP  13   0.453   7.548  -8.039
  104    HZ2  TRP  13           HZ2      TRP  13   5.155   7.638  -9.697
  105    HZ3  TRP  13           HZ3      TRP  13   2.064   5.800  -7.401
  106    HH2  TRP  13           HH2      TRP  13   4.365   5.846  -8.215
  107    HA   PRO  14           HA       PRO  14  -4.116  11.928 -11.237
  108    HB2  PRO  14           HB2      PRO  14  -3.880  12.312 -13.915
  109    HB3  PRO  14           HB3      PRO  14  -2.907  13.191 -12.729
  110    HG2  PRO  14           HG2      PRO  14  -2.182  10.795 -14.371
  111    HG3  PRO  14           HG3      PRO  14  -1.218  12.240 -14.013
  112    HD2  PRO  14           HD2      PRO  14  -0.872   9.896 -12.702
  113    HD3  PRO  14           HD3      PRO  14  -0.610  11.472 -11.926
  114    H    PHE  15           H        PHE  15  -3.492   8.830 -12.452
  115    HA   PHE  15           HA       PHE  15  -6.144   8.622 -13.693
  116    HB2  PHE  15           HB2      PHE  15  -3.868   7.796 -14.759
  117    HB3  PHE  15           HB3      PHE  15  -4.169   6.381 -13.755
  118    HD1  PHE  15           HD1      PHE  15  -6.189   5.013 -14.121
  119    HD2  PHE  15           HD2      PHE  15  -5.138   8.218 -16.717
  120    HE1  PHE  15           HE1      PHE  15  -7.714   4.121 -15.833
  121    HE2  PHE  15           HE2      PHE  15  -6.663   7.332 -18.433
  122    HZ   PHE  15           HZ       PHE  15  -7.954   5.282 -17.992
  123    H    ILE  16           H        ILE  16  -4.225   7.543 -11.009
  124    HA   ILE  16           HA       ILE  16  -6.140   5.501 -10.234
  125    HB   ILE  16           HB       ILE  16  -3.670   5.209  -9.901
  126   HG12  ILE  16          HG12      ILE  16  -4.010   4.517  -7.382
  127   HG13  ILE  16          HG13      ILE  16  -5.687   4.947  -7.702
  128   HG21  ILE  16          HG21      ILE  16  -3.148   7.483  -9.194
  129   HG22  ILE  16          HG22      ILE  16  -4.091   7.252  -7.723
  130   HG23  ILE  16          HG23      ILE  16  -2.623   6.311  -7.986
  131   HD11  ILE  16          HD11      ILE  16  -4.094   2.665  -8.668
  132   HD12  ILE  16          HD12      ILE  16  -5.807   2.771  -8.262
  133   HD13  ILE  16          HD13      ILE  16  -5.229   3.376  -9.815
  134    H    LYS  17           H        LYS  17  -5.289   8.781  -9.413
  135    HA   LYS  17           HA       LYS  17  -6.702   8.885  -6.941
  136    HB2  LYS  17           HB2      LYS  17  -6.285  11.227  -6.975
  137    HB3  LYS  17           HB3      LYS  17  -4.864  10.456  -7.668
  138    HG2  LYS  17           HG2      LYS  17  -5.776  10.956  -9.929
  139    HG3  LYS  17           HG3      LYS  17  -7.071  11.868  -9.150
  140    HD2  LYS  17           HD2      LYS  17  -5.121  13.120  -7.970
  141    HD3  LYS  17           HD3      LYS  17  -4.142  12.472  -9.288
  142    HE2  LYS  17           HE2      LYS  17  -5.487  13.573 -10.922
  143    HE3  LYS  17           HE3      LYS  17  -6.685  14.030  -9.713
  144    HZ1  LYS  17           HZ1      LYS  17  -5.560  15.875  -9.305
  145    HZ2  LYS  17           HZ2      LYS  17  -4.469  15.484 -10.538
  146    HZ3  LYS  17           HZ3      LYS  17  -4.155  15.003  -8.947
  147    H    LYS  18           H        LYS  18  -7.647   9.010 -10.231
  148    HA   LYS  18           HA       LYS  18 -10.049  10.515  -9.901
  149    HB2  LYS  18           HB2      LYS  18  -8.923   8.764 -12.055
  150    HB3  LYS  18           HB3      LYS  18 -10.607   9.266 -12.136
  151    HG2  LYS  18           HG2      LYS  18  -8.378  11.245 -11.796
  152    HG3  LYS  18           HG3      LYS  18  -8.896  10.675 -13.384
  153    HD2  LYS  18           HD2      LYS  18 -11.108  11.527 -13.040
  154    HD3  LYS  18           HD3      LYS  18 -10.752  11.911 -11.354
  155    HE2  LYS  18           HE2      LYS  18  -9.220  13.134 -13.632
  156    HE3  LYS  18           HE3      LYS  18 -10.723  13.835 -13.034
  157    HZ1  LYS  18           HZ1      LYS  18  -8.307  14.442 -12.077
  158    HZ2  LYS  18           HZ2      LYS  18  -8.753  13.215 -11.003
  159    HZ3  LYS  18           HZ3      LYS  18  -9.735  14.581 -11.179
  160    H    PHE  19           H        PHE  19  -9.156   7.203  -9.425
  161    HA   PHE  19           HA       PHE  19 -11.878   6.632  -8.516
  162    HB2  PHE  19           HB2      PHE  19 -10.310   4.982 -10.497
  163    HB3  PHE  19           HB3      PHE  19 -11.659   4.328  -9.575
  164    HD1  PHE  19           HD2      PHE  19 -13.933   5.051 -10.011
  165    HD2  PHE  19           HD1      PHE  19 -10.662   6.570 -12.271
  166    HE1  PHE  19           HE2      PHE  19 -15.503   5.911 -11.698
  167    HE2  PHE  19           HE1      PHE  19 -12.226   7.433 -13.962
  168    HZ   PHE  19           HZ       PHE  19 -14.650   7.104 -13.678
  169    H    TYR  20           H        TYR  20  -9.535   7.240  -7.030
  170    HA   TYR  20           HA       TYR  20  -8.261   4.887  -6.080
  171    HB2  TYR  20           HB2      TYR  20  -7.312   7.185  -5.880
  172    HB3  TYR  20           HB3      TYR  20  -8.540   7.551  -4.675
  173    HD1  TYR  20           HD2      TYR  20  -5.802   5.113  -5.368
  174    HD2  TYR  20           HD1      TYR  20  -8.064   7.201  -2.432
  175    HE1  TYR  20           HE2      TYR  20  -4.333   4.219  -3.609
  176    HE2  TYR  20           HE1      TYR  20  -6.601   6.314  -0.665
  177    HH   TYR  20           HH       TYR  20  -4.779   5.128  -0.206
  178    H    LYS  21           H        LYS  21 -11.180   6.585  -5.214
  179    HA   LYS  21           HA       LYS  21 -11.567   5.355  -2.680
  180    HB2  LYS  21           HB2      LYS  21 -12.682   7.478  -3.738
  181    HB3  LYS  21           HB3      LYS  21 -13.847   6.321  -4.367
  182    HG2  LYS  21           HG2      LYS  21 -14.811   7.049  -2.389
  183    HG3  LYS  21           HG3      LYS  21 -14.058   5.517  -1.938
  184    HD2  LYS  21           HD2      LYS  21 -13.459   6.974  -0.211
  185    HD3  LYS  21           HD3      LYS  21 -12.034   6.940  -1.253
  186    HE2  LYS  21           HE2      LYS  21 -12.492   9.060  -2.137
  187    HE3  LYS  21           HE3      LYS  21 -14.165   9.028  -1.581
  188    HZ1  LYS  21           HZ1      LYS  21 -13.478   9.345   0.642
  189    HZ2  LYS  21           HZ2      LYS  21 -12.624  10.480  -0.276
  190    HZ3  LYS  21           HZ3      LYS  21 -11.849   9.079   0.269
  191    H    GLN  22           H        GLN  22 -12.172   4.384  -5.947
  192    HA   GLN  22           HA       GLN  22 -13.895   2.182  -5.105
  193    HB2  GLN  22           HB2      GLN  22 -14.412   3.565  -7.146
  194    HB3  GLN  22           HB3      GLN  22 -12.985   2.868  -7.901
  195    HG2  GLN  22           HG2      GLN  22 -14.691   1.550  -8.715
  196    HG3  GLN  22           HG3      GLN  22 -14.081   0.600  -7.361
  197   HE21  GLN  22          HE21      GLN  22 -15.316   0.427  -5.488
  198   HE22  GLN  22          HE22      GLN  22 -16.998   0.818  -5.460
  199    H    ILE  23           H        ILE  23 -10.732   2.771  -6.557
  200    HA   ILE  23           HA       ILE  23 -10.082   0.035  -6.963
  201    HB   ILE  23           HB       ILE  23  -8.250   2.420  -6.679
  202   HG12  ILE  23          HG12      ILE  23  -8.929   1.063  -9.262
  203   HG13  ILE  23          HG13      ILE  23 -10.052   2.234  -8.581
  204   HG21  ILE  23          HG21      ILE  23  -7.009   0.409  -6.266
  205   HG22  ILE  23          HG22      ILE  23  -7.724  -0.375  -7.674
  206   HG23  ILE  23          HG23      ILE  23  -6.619   0.982  -7.888
  207   HD11  ILE  23          HD11      ILE  23  -7.368   2.636  -9.758
  208   HD12  ILE  23          HD12      ILE  23  -8.830   3.614  -9.895
  209   HD13  ILE  23          HD13      ILE  23  -7.850   3.693  -8.431
  210    H    MET  24           H        MET  24  -8.967   2.377  -4.510
  211    HA   MET  24           HA       MET  24  -7.485   0.608  -2.962
  212    HB2  MET  24           HB2      MET  24  -7.542   3.114  -2.752
  213    HB3  MET  24           HB3      MET  24  -9.071   2.949  -1.901
  214    HG2  MET  24           HG2      MET  24  -6.782   1.373  -0.888
  215    HG3  MET  24           HG3      MET  24  -6.735   3.119  -0.651
  216    HE1  MET  24           HE1      MET  24  -7.854   0.838   2.516
  217    HE2  MET  24           HE2      MET  24  -8.245  -0.200   1.145
  218    HE3  MET  24           HE3      MET  24  -6.699   0.649   1.196
  219    H    GLN  25           H        GLN  25 -10.911   1.008  -3.223
  220    HA   GLN  25           HA       GLN  25 -11.618  -0.213  -0.750
  221    HB2  GLN  25           HB2      GLN  25 -13.027   0.657  -3.201
  222    HB3  GLN  25           HB3      GLN  25 -13.804  -0.630  -2.287
  223    HG2  GLN  25           HG2      GLN  25 -12.907   1.943  -1.027
  224    HG3  GLN  25           HG3      GLN  25 -14.506   1.729  -1.738
  225   HE21  GLN  25          HE21      GLN  25 -12.879   1.698   1.076
  226   HE22  GLN  25          HE22      GLN  25 -13.881   0.635   1.998
  227    H    PHE  26           H        PHE  26 -10.704  -1.407  -3.866
  228    HA   PHE  26           HA       PHE  26 -11.802  -4.036  -3.508
  229    HB2  PHE  26           HB2      PHE  26  -9.748  -2.999  -5.473
  230    HB3  PHE  26           HB3      PHE  26 -10.486  -4.596  -5.535
  231    HD1  PHE  26           HD2      PHE  26 -13.285  -4.018  -4.944
  232    HD2  PHE  26           HD1      PHE  26 -10.498  -1.882  -7.350
  233    HE1  PHE  26           HE2      PHE  26 -15.141  -3.109  -6.280
  234    HE2  PHE  26           HE1      PHE  26 -12.350  -0.969  -8.689
  235    HZ   PHE  26           HZ       PHE  26 -14.674  -1.583  -8.155
  236    H    ILE  27           H        ILE  27  -8.631  -2.528  -3.129
  237    HA   ILE  27           HA       ILE  27  -7.044  -4.746  -2.720
  238    HB   ILE  27           HB       ILE  27  -6.866  -2.111  -1.254
  239   HG12  ILE  27          HG12      ILE  27  -6.839  -1.822  -3.680
  240   HG13  ILE  27          HG13      ILE  27  -5.240  -1.514  -3.012
  241   HG21  ILE  27          HG21      ILE  27  -5.276  -4.532  -1.134
  242   HG22  ILE  27          HG22      ILE  27  -4.317  -3.128  -1.598
  243   HG23  ILE  27          HG23      ILE  27  -5.242  -3.106  -0.097
  244   HD11  ILE  27          HD11      ILE  27  -4.669  -3.892  -3.638
  245   HD12  ILE  27          HD12      ILE  27  -6.176  -3.909  -4.553
  246   HD13  ILE  27          HD13      ILE  27  -4.904  -2.762  -4.971
  247    H    GLY  28           H        GLY  28  -8.993  -2.987  -0.320
  248    HA2  GLY  28           HA2      GLY  28  -8.267  -4.740   1.828
  249    HA3  GLY  28           HA3      GLY  28  -9.532  -3.520   1.860
  250    H    GLN  29           H        GLN  29 -10.599  -4.878  -0.686
  251    HA   GLN  29           HA       GLN  29 -12.459  -6.574   0.694
  252    HB2  GLN  29           HB2      GLN  29 -13.324  -5.223  -1.077
  253    HB3  GLN  29           HB3      GLN  29 -12.124  -5.830  -2.210
  254    HG2  GLN  29           HG2      GLN  29 -13.255  -7.752  -2.601
  255    HG3  GLN  29           HG3      GLN  29 -13.929  -7.818  -0.974
  256   HE21  GLN  29          HE21      GLN  29 -16.036  -7.598  -0.937
  257   HE22  GLN  29          HE22      GLN  29 -16.987  -6.638  -2.013
  258    H    GLY  30           H        GLY  30  -9.628  -7.019  -1.297
  259    HA2  GLY  30           HA2      GLY  30  -8.382  -9.093  -0.960
  260    HA3  GLY  30           HA3      GLY  30  -9.924  -9.935  -0.934
  261    H    TRP  31           H        TRP  31  -9.328  -7.399  -3.236
  262    HA   TRP  31           HA       TRP  31  -9.775  -9.226  -5.414
  263    HB2  TRP  31           HB2      TRP  31  -9.463  -6.267  -5.136
  264    HB3  TRP  31           HB3      TRP  31  -9.231  -6.993  -6.724
  265    HD1  TRP  31           HD1      TRP  31 -11.867  -8.473  -4.409
  266    HE1  TRP  31           HE1      TRP  31 -14.199  -7.982  -5.380
  267    HE3  TRP  31           HE3      TRP  31 -10.525  -5.279  -8.169
  268    HZ2  TRP  31           HZ2      TRP  31 -15.322  -6.444  -7.464
  269    HZ3  TRP  31           HZ3      TRP  31 -12.289  -4.342  -9.606
  270    HH2  TRP  31           HH2      TRP  31 -14.637  -4.915  -9.260
  271    H    THR  32           H        THR  32  -8.353  -9.511  -7.220
  272    HA   THR  32           HA       THR  32  -5.569  -9.690  -6.392
  273    HB   THR  32           HB       THR  32  -5.218 -11.129  -8.256
  274    HG1  THR  32           HG1      THR  32  -6.325 -10.903 -10.044
  275   HG21  THR  32          HG21      THR  32  -6.842 -11.819  -6.275
  276   HG22  THR  32          HG22      THR  32  -6.518 -12.905  -7.626
  277   HG23  THR  32          HG23      THR  32  -8.000 -11.950  -7.597
  278    H    ILE  33           H        ILE  33  -3.849  -9.095  -7.946
  279    HA   ILE  33           HA       ILE  33  -3.968  -6.390  -8.634
  280    HB   ILE  33           HB       ILE  33  -2.083  -8.488  -9.718
  281   HG12  ILE  33          HG12      ILE  33  -1.601  -6.564  -7.443
  282   HG13  ILE  33          HG13      ILE  33  -2.231  -8.188  -7.189
  283   HG21  ILE  33          HG21      ILE  33  -1.993  -6.535 -11.098
  284   HG22  ILE  33          HG22      ILE  33  -1.923  -5.480  -9.687
  285   HG23  ILE  33          HG23      ILE  33  -0.565  -6.541 -10.063
  286   HD11  ILE  33          HD11      ILE  33  -0.181  -9.005  -7.220
  287   HD12  ILE  33          HD12      ILE  33   0.086  -8.348  -8.835
  288   HD13  ILE  33          HD13      ILE  33   0.450  -7.370  -7.414
  289    H    ASP  34           H        ASP  34  -4.912  -9.215 -10.392
  290    HA   ASP  34           HA       ASP  34  -4.950  -7.897 -12.964
  291    HB2  ASP  34           HB2      ASP  34  -6.289 -10.514 -12.305
  292    HB3  ASP  34           HB3      ASP  34  -5.667  -9.964 -13.859
  293    H    GLN  35           H        GLN  35  -7.191  -8.624 -10.382
  294    HA   GLN  35           HA       GLN  35  -9.616  -8.269 -11.699
  295    HB2  GLN  35           HB2      GLN  35  -8.736  -7.832  -8.865
  296    HB3  GLN  35           HB3      GLN  35 -10.370  -7.412  -9.360
  297    HG2  GLN  35           HG2      GLN  35 -10.272  -9.884 -10.343
  298    HG3  GLN  35           HG3      GLN  35  -9.105 -10.062  -9.034
  299   HE21  GLN  35          HE21      GLN  35 -12.387  -8.980  -9.749
  300   HE22  GLN  35          HE22      GLN  35 -13.050  -9.390  -8.208
  301    H    ILE  36           H        ILE  36  -7.550  -5.862 -10.102
  302    HA   ILE  36           HA       ILE  36  -9.265  -3.669 -10.766
  303    HB   ILE  36           HB       ILE  36  -6.384  -3.664  -9.859
  304   HG12  ILE  36          HG12      ILE  36  -7.727  -2.785  -7.731
  305   HG13  ILE  36          HG13      ILE  36  -9.008  -3.757  -8.447
  306   HG21  ILE  36          HG21      ILE  36  -6.877  -1.591 -10.958
  307   HG22  ILE  36          HG22      ILE  36  -8.398  -1.434 -10.080
  308   HG23  ILE  36          HG23      ILE  36  -6.865  -1.309  -9.218
  309   HD11  ILE  36          HD11      ILE  36  -7.861  -5.731  -8.136
  310   HD12  ILE  36          HD12      ILE  36  -6.294  -4.926  -8.039
  311   HD13  ILE  36          HD13      ILE  36  -7.431  -4.809  -6.696
  312    H    GLU  37           H        GLU  37  -6.067  -4.718 -11.940
  313    HA   GLU  37           HA       GLU  37  -5.664  -2.804 -13.885
  314    HB2  GLU  37           HB2      GLU  37  -4.815  -5.664 -13.627
  315    HB3  GLU  37           HB3      GLU  37  -4.452  -4.784 -15.105
  316    HG2  GLU  37           HG2      GLU  37  -3.694  -3.758 -12.389
  317    HG3  GLU  37           HG3      GLU  37  -2.655  -4.827 -13.329
  318    H    LYS  38           H        LYS  38  -7.781  -5.572 -13.930
  319    HA   LYS  38           HA       LYS  38  -8.355  -5.258 -16.767
  320    HB2  LYS  38           HB2      LYS  38  -9.285  -7.216 -14.672
  321    HB3  LYS  38           HB3      LYS  38  -9.979  -7.168 -16.287
  322    HG2  LYS  38           HG2      LYS  38  -7.024  -7.419 -15.935
  323    HG3  LYS  38           HG3      LYS  38  -8.068  -8.831 -15.759
  324    HD2  LYS  38           HD2      LYS  38  -9.042  -8.177 -18.027
  325    HD3  LYS  38           HD3      LYS  38  -7.657  -7.094 -18.179
  326    HE2  LYS  38           HE2      LYS  38  -6.164  -8.811 -18.384
  327    HE3  LYS  38           HE3      LYS  38  -7.138  -9.918 -17.418
  328    HZ1  LYS  38           HZ1      LYS  38  -8.643 -10.189 -19.263
  329    HZ2  LYS  38           HZ2      LYS  38  -7.068 -10.539 -19.770
  330    HZ3  LYS  38           HZ3      LYS  38  -7.782  -9.064 -20.189
  331    H    TRP  39           H        TRP  39  -9.710  -4.461 -13.668
  332    HA   TRP  39           HA       TRP  39 -12.368  -3.968 -14.520
  333    HB2  TRP  39           HB2      TRP  39 -11.770  -4.308 -12.156
  334    HB3  TRP  39           HB3      TRP  39 -10.862  -2.799 -12.171
  335    HD1  TRP  39           HD1      TRP  39 -14.454  -4.131 -12.185
  336    HE1  TRP  39           HE1      TRP  39 -16.041  -2.214 -11.530
  337    HE3  TRP  39           HE3      TRP  39 -11.103  -0.270 -12.173
  338    HZ2  TRP  39           HZ2      TRP  39 -15.893   0.567 -11.070
  339    HZ3  TRP  39           HZ3      TRP  39 -11.907   1.988 -11.616
  340    HH2  TRP  39           HH2      TRP  39 -14.253   2.395 -11.076
  341    H    LEU  40           H        LEU  40  -9.545  -1.860 -14.091
  342    HA   LEU  40           HA       LEU  40 -11.020   0.367 -15.279
  343    HB2  LEU  40           HB2      LEU  40  -9.623   0.611 -13.187
  344    HB3  LEU  40           HB3      LEU  40  -8.207   0.390 -14.213
  345    HG   LEU  40           HG       LEU  40  -8.686   2.429 -15.400
  346   HD11  LEU  40          HD11      LEU  40 -11.096   2.344 -15.443
  347   HD12  LEU  40          HD12      LEU  40 -10.573   3.870 -14.731
  348   HD13  LEU  40          HD13      LEU  40 -11.168   2.573 -13.695
  349   HD21  LEU  40          HD21      LEU  40  -7.564   2.420 -13.091
  350   HD22  LEU  40          HD22      LEU  40  -9.079   3.109 -12.505
  351   HD23  LEU  40          HD23      LEU  40  -8.136   3.962 -13.729
  352    H    LYS  41           H        LYS  41 -10.262  -1.919 -16.890
  353    HA   LYS  41           HA       LYS  41  -8.116  -0.887 -18.585
  354    HB2  LYS  41           HB2      LYS  41  -8.147  -3.293 -17.940
  355    HB3  LYS  41           HB3      LYS  41  -9.659  -3.476 -18.820
  356    HG2  LYS  41           HG2      LYS  41  -7.932  -4.268 -20.228
  357    HG3  LYS  41           HG3      LYS  41  -8.447  -2.709 -20.876
  358    HD2  LYS  41           HD2      LYS  41  -6.118  -2.595 -20.952
  359    HD3  LYS  41           HD3      LYS  41  -6.527  -1.728 -19.470
  360    HE2  LYS  41           HE2      LYS  41  -4.746  -3.124 -18.867
  361    HE3  LYS  41           HE3      LYS  41  -6.183  -3.957 -18.276
  362    HZ1  LYS  41           HZ1      LYS  41  -5.773  -5.685 -19.588
  363    HZ2  LYS  41           HZ2      LYS  41  -4.247  -5.018 -19.884
  364    HZ3  LYS  41           HZ3      LYS  41  -5.525  -4.713 -20.950
  365    H    ARG  42           H        ARG  42 -11.569  -1.327 -18.526
  366    HA   ARG  42           HA       ARG  42 -11.764   0.160 -21.038
  367    HB2  ARG  42           HB2      ARG  42 -11.975  -2.324 -21.479
  368    HB3  ARG  42           HB3      ARG  42 -13.448  -2.289 -20.519
  369    HG2  ARG  42           HG2      ARG  42 -14.267  -0.496 -22.123
  370    HG3  ARG  42           HG3      ARG  42 -12.908  -0.957 -23.151
  371    HD2  ARG  42           HD2      ARG  42 -13.764  -3.071 -23.557
  372    HD3  ARG  42           HD3      ARG  42 -14.777  -3.046 -22.114
  373    HE   ARG  42           HE       ARG  42 -15.503  -2.164 -24.710
  374   HH11  ARG  42          HH11      ARG  42 -15.929  -1.442 -21.331
  375   HH12  ARG  42          HH12      ARG  42 -17.473  -0.688 -21.553
  376   HH21  ARG  42          HH21      ARG  42 -17.535  -1.174 -25.015
  377   HH22  ARG  42          HH22      ARG  42 -18.386  -0.538 -23.649
  378    H    HIS  43           H        HIS  43 -12.143   1.627 -19.026
  379    HA   HIS  43           HA       HIS  43 -14.444   1.533 -17.492
  380    HB2  HIS  43           HB2      HIS  43 -14.146   3.879 -17.100
  381    HB3  HIS  43           HB3      HIS  43 -12.545   3.161 -17.246
  382    HD1  HIS  43           HD1      HIS  43 -11.292   3.601 -19.560
  383    HD2  HIS  43           HD2      HIS  43 -14.688   5.894 -18.876
  384    HE1  HIS  43           HE1      HIS  43 -11.162   5.501 -21.203
  Start of MODEL   12
    1    HCN  FME   1           HF       FME   1  -3.202  -0.303   1.239
    2    HA   FME   1           HA       FME   1  -0.167   1.878  -0.740
    3    HB2  FME   1           HB2      FME   1   0.254   1.323   2.216
    4    HB3  FME   1           HB3      FME   1  -0.926   2.555   1.644
    5    HG2  FME   1           HG2      FME   1   1.169   3.371   0.121
    6    HG3  FME   1           HG3      FME   1   2.126   2.560   1.412
    7    HE1  FME   1           HE8      FME   1   1.657   3.576   4.397
    8    HE2  FME   1           HE2      FME   1   2.618   5.013   3.858
    9    HE3  FME   1           HE3      FME   1   2.891   3.390   3.086
   10    H    GLY   2           H        GLY   2  -0.028  -0.063  -2.071
   11    HA2  GLY   2           HA2      GLY   2   2.472  -1.000  -2.202
   12    HA3  GLY   2           HA3      GLY   2   1.763  -2.109  -1.038
   13    H    ALA   3           H        ALA   3  -0.669  -2.671  -1.959
   14    HA   ALA   3           HA       ALA   3  -0.145  -4.396  -4.156
   15    HB1  ALA   3           HB1      ALA   3  -2.651  -3.682  -2.660
   16    HB2  ALA   3           HB2      ALA   3  -2.651  -4.801  -4.024
   17    HB3  ALA   3           HB3      ALA   3  -1.709  -5.171  -2.579
   18    H    ILE   4           H        ILE   4  -1.615  -1.237  -3.833
   19    HA   ILE   4           HA       ILE   4  -2.882  -1.126  -6.352
   20    HB   ILE   4           HB       ILE   4  -1.788   1.147  -4.690
   21   HG12  ILE   4          HG12      ILE   4  -4.489   1.213  -4.395
   22   HG13  ILE   4          HG13      ILE   4  -4.221  -0.521  -4.532
   23   HG21  ILE   4          HG21      ILE   4  -3.117   1.055  -7.275
   24   HG22  ILE   4          HG22      ILE   4  -3.957   2.076  -6.109
   25   HG23  ILE   4          HG23      ILE   4  -2.262   2.381  -6.488
   26   HD11  ILE   4          HD11      ILE   4  -3.815  -0.481  -2.352
   27   HD12  ILE   4          HD12      ILE   4  -2.280   0.289  -2.755
   28   HD13  ILE   4          HD13      ILE   4  -3.678   1.277  -2.330
   29    H    ALA   5           H        ALA   5   0.416  -0.827  -5.392
   30    HA   ALA   5           HA       ALA   5   1.523   0.769  -7.349
   31    HB1  ALA   5           HB1      ALA   5   3.583  -0.597  -7.062
   32    HB2  ALA   5           HB2      ALA   5   2.864  -0.059  -5.544
   33    HB3  ALA   5           HB3      ALA   5   2.645  -1.724  -6.081
   34    H    LYS   6           H        LYS   6   0.729  -2.684  -7.527
   35    HA   LYS   6           HA       LYS   6   1.791  -3.268 -10.019
   36    HB2  LYS   6           HB2      LYS   6  -0.783  -4.353  -8.861
   37    HB3  LYS   6           HB3      LYS   6   0.190  -5.107 -10.117
   38    HG2  LYS   6           HG2      LYS   6   1.388  -4.518  -7.445
   39    HG3  LYS   6           HG3      LYS   6   0.374  -5.944  -7.676
   40    HD2  LYS   6           HD2      LYS   6   1.866  -6.930  -9.139
   41    HD3  LYS   6           HD3      LYS   6   2.599  -5.389  -9.592
   42    HE2  LYS   6           HE2      LYS   6   2.849  -6.425  -6.795
   43    HE3  LYS   6           HE3      LYS   6   3.909  -7.030  -8.067
   44    HZ1  LYS   6           HZ1      LYS   6   3.595  -4.131  -7.628
   45    HZ2  LYS   6           HZ2      LYS   6   4.872  -4.962  -8.361
   46    HZ3  LYS   6           HZ3      LYS   6   4.672  -5.031  -6.683
   47    H    LEU   7           H        LEU   7  -1.169  -1.598  -9.182
   48    HA   LEU   7           HA       LEU   7  -2.129  -1.582 -11.914
   49    HB2  LEU   7           HB2      LEU   7  -3.247   0.138  -9.743
   50    HB3  LEU   7           HB3      LEU   7  -4.072  -0.617 -11.106
   51    HG   LEU   7           HG       LEU   7  -2.998  -2.145  -8.739
   52   HD11  LEU   7          HD11      LEU   7  -5.659  -2.289  -8.458
   53   HD12  LEU   7          HD12      LEU   7  -5.522  -0.665  -9.131
   54   HD13  LEU   7          HD13      LEU   7  -4.663  -1.079  -7.648
   55   HD21  LEU   7          HD21      LEU   7  -4.858  -3.724  -9.711
   56   HD22  LEU   7          HD22      LEU   7  -3.231  -3.714 -10.393
   57   HD23  LEU   7          HD23      LEU   7  -4.531  -2.834 -11.198
   58    H    VAL   8           H        VAL   8  -0.601   0.636  -9.647
   59    HA   VAL   8           HA       VAL   8  -0.829   2.944 -11.303
   60    HB   VAL   8           HB       VAL   8   1.185   2.462  -9.105
   61   HG11  VAL   8          HG11      VAL   8   0.677   4.660 -10.865
   62   HG12  VAL   8          HG12      VAL   8   0.316   5.137  -9.205
   63   HG13  VAL   8          HG13      VAL   8   1.909   4.498  -9.614
   64   HG21  VAL   8          HG21      VAL   8  -0.634   2.240  -7.803
   65   HG22  VAL   8          HG22      VAL   8  -0.763   3.989  -7.984
   66   HG23  VAL   8          HG23      VAL   8  -1.713   2.923  -9.019
   67    H    ALA   9           H        ALA   9   1.155   0.199 -11.419
   68    HA   ALA   9           HA       ALA   9   3.582   1.183 -12.361
   69    HB1  ALA   9           HB1      ALA   9   2.176  -1.379 -12.405
   70    HB2  ALA   9           HB2      ALA   9   3.293  -1.152 -13.751
   71    HB3  ALA   9           HB3      ALA   9   3.875  -1.020 -12.092
   72    H    LYS  10           H        LYS  10   0.495   1.038 -13.895
   73    HA   LYS  10           HA       LYS  10   1.719   1.972 -16.408
   74    HB2  LYS  10           HB2      LYS  10  -0.785   0.305 -16.087
   75    HB3  LYS  10           HB3      LYS  10  -0.183   0.949 -17.609
   76    HG2  LYS  10           HG2      LYS  10   1.352  -0.962 -15.864
   77    HG3  LYS  10           HG3      LYS  10   0.341  -1.449 -17.226
   78    HD2  LYS  10           HD2      LYS  10   1.756   0.158 -18.622
   79    HD3  LYS  10           HD3      LYS  10   2.872   0.173 -17.255
   80    HE2  LYS  10           HE2      LYS  10   3.671  -1.479 -18.746
   81    HE3  LYS  10           HE3      LYS  10   2.907  -2.346 -17.415
   82    HZ1  LYS  10           HZ1      LYS  10   2.410  -2.809 -20.005
   83    HZ2  LYS  10           HZ2      LYS  10   1.156  -1.737 -19.634
   84    HZ3  LYS  10           HZ3      LYS  10   1.330  -3.171 -18.754
   85    H    PHE  11           H        PHE  11  -1.233   2.042 -14.427
   86    HA   PHE  11           HA       PHE  11  -2.512   4.149 -15.739
   87    HB2  PHE  11           HB2      PHE  11  -2.650   3.401 -12.810
   88    HB3  PHE  11           HB3      PHE  11  -3.802   4.429 -13.655
   89    HD1  PHE  11           HD1      PHE  11  -3.961   2.861 -16.223
   90    HD2  PHE  11           HD2      PHE  11  -4.056   1.644 -12.145
   91    HE1  PHE  11           HE1      PHE  11  -5.272   0.876 -16.849
   92    HE2  PHE  11           HE2      PHE  11  -5.366  -0.344 -12.765
   93    HZ   PHE  11           HZ       PHE  11  -5.975  -0.730 -15.120
   94    H    GLY  12           H        GLY  12  -1.063   4.483 -12.503
   95    HA2  GLY  12           HA2      GLY  12   0.802   6.112 -12.259
   96    HA3  GLY  12           HA3      GLY  12  -0.114   7.157 -13.335
   97    H    TRP  13           H        TRP  13   0.604   8.320 -11.096
   98    HA   TRP  13           HA       TRP  13  -1.106   7.940  -8.872
   99    HB2  TRP  13           HB2      TRP  13   0.112  10.610  -9.447
  100    HB3  TRP  13           HB3      TRP  13  -0.030   9.750  -7.916
  101    HD1  TRP  13           HD1      TRP  13   2.516  10.738 -10.281
  102    HE1  TRP  13           HE1      TRP  13   4.632   9.288 -10.070
  103    HE3  TRP  13           HE3      TRP  13   0.592   6.894  -7.513
  104    HZ2  TRP  13           HZ2      TRP  13   5.386   6.838  -8.887
  105    HZ3  TRP  13           HZ3      TRP  13   2.077   5.035  -6.884
  106    HH2  TRP  13           HH2      TRP  13   4.424   5.009  -7.558
  107    HA   PRO  14           HA       PRO  14  -3.546  11.709 -10.700
  108    HB2  PRO  14           HB2      PRO  14  -3.108  12.280 -13.318
  109    HB3  PRO  14           HB3      PRO  14  -2.179  13.014 -12.005
  110    HG2  PRO  14           HG2      PRO  14  -1.458  10.713 -13.780
  111    HG3  PRO  14           HG3      PRO  14  -0.453  12.074 -13.248
  112    HD2  PRO  14           HD2      PRO  14  -0.311   9.623 -12.106
  113    HD3  PRO  14           HD3      PRO  14  -0.028  11.119 -11.193
  114    H    PHE  15           H        PHE  15  -2.987   8.684 -12.119
  115    HA   PHE  15           HA       PHE  15  -5.566   8.711 -13.523
  116    HB2  PHE  15           HB2      PHE  15  -3.292   7.894 -14.565
  117    HB3  PHE  15           HB3      PHE  15  -3.652   6.416 -13.679
  118    HD1  PHE  15           HD2      PHE  15  -5.600   5.063 -14.257
  119    HD2  PHE  15           HD1      PHE  15  -4.567   8.540 -16.484
  120    HE1  PHE  15           HE2      PHE  15  -7.080   4.330 -16.081
  121    HE2  PHE  15           HE1      PHE  15  -6.045   7.813 -18.312
  122    HZ   PHE  15           HZ       PHE  15  -7.303   5.705 -18.112
  123    H    ILE  16           H        ILE  16  -3.831   7.284 -10.869
  124    HA   ILE  16           HA       ILE  16  -5.902   5.303 -10.375
  125    HB   ILE  16           HB       ILE  16  -3.471   4.801 -10.006
  126   HG12  ILE  16          HG12      ILE  16  -4.099   4.069  -7.439
  127   HG13  ILE  16          HG13      ILE  16  -5.693   4.334  -8.138
  128   HG21  ILE  16          HG21      ILE  16  -3.005   7.062  -8.984
  129   HG22  ILE  16          HG22      ILE  16  -3.755   6.453  -7.510
  130   HG23  ILE  16          HG23      ILE  16  -2.304   5.679  -8.145
  131   HD11  ILE  16          HD11      ILE  16  -5.375   2.674  -9.757
  132   HD12  ILE  16          HD12      ILE  16  -3.635   2.616  -9.476
  133   HD13  ILE  16          HD13      ILE  16  -4.746   1.989  -8.259
  134    H    LYS  17           H        LYS  17  -4.862   8.414  -9.199
  135    HA   LYS  17           HA       LYS  17  -6.273   8.396  -6.743
  136    HB2  LYS  17           HB2      LYS  17  -5.820  10.732  -6.636
  137    HB3  LYS  17           HB3      LYS  17  -4.419   9.978  -7.384
  138    HG2  LYS  17           HG2      LYS  17  -5.219  10.668  -9.586
  139    HG3  LYS  17           HG3      LYS  17  -6.626  11.425  -8.836
  140    HD2  LYS  17           HD2      LYS  17  -4.882  12.744  -7.453
  141    HD3  LYS  17           HD3      LYS  17  -3.744  12.239  -8.704
  142    HE2  LYS  17           HE2      LYS  17  -5.343  13.197 -10.392
  143    HE3  LYS  17           HE3      LYS  17  -6.251  13.876  -9.042
  144    HZ1  LYS  17           HZ1      LYS  17  -4.306  15.128  -8.389
  145    HZ2  LYS  17           HZ2      LYS  17  -4.695  15.474  -9.998
  146    HZ3  LYS  17           HZ3      LYS  17  -3.398  14.447  -9.644
  147    H    LYS  18           H        LYS  18  -7.262   8.794 -10.006
  148    HA   LYS  18           HA       LYS  18  -9.572  10.363  -9.646
  149    HB2  LYS  18           HB2      LYS  18  -8.815   8.314 -11.725
  150    HB3  LYS  18           HB3      LYS  18 -10.325   9.214 -11.794
  151    HG2  LYS  18           HG2      LYS  18  -8.897  11.314 -11.696
  152    HG3  LYS  18           HG3      LYS  18  -7.521  10.258 -12.021
  153    HD2  LYS  18           HD2      LYS  18  -8.883   9.412 -14.020
  154    HD3  LYS  18           HD3      LYS  18  -9.901  10.832 -13.762
  155    HE2  LYS  18           HE2      LYS  18  -6.931  10.833 -14.292
  156    HE3  LYS  18           HE3      LYS  18  -8.193  11.281 -15.439
  157    HZ1  LYS  18           HZ1      LYS  18  -8.674  12.841 -13.248
  158    HZ2  LYS  18           HZ2      LYS  18  -7.934  13.340 -14.685
  159    HZ3  LYS  18           HZ3      LYS  18  -6.987  12.841 -13.375
  160    H    PHE  19           H        PHE  19  -8.914   6.994  -9.088
  161    HA   PHE  19           HA       PHE  19 -11.586   6.694  -7.944
  162    HB2  PHE  19           HB2      PHE  19 -10.387   4.743  -9.922
  163    HB3  PHE  19           HB3      PHE  19 -11.870   4.482  -9.010
  164    HD1  PHE  19           HD2      PHE  19 -10.295   6.568 -11.616
  165    HD2  PHE  19           HD1      PHE  19 -13.922   5.392  -9.724
  166    HE1  PHE  19           HE2      PHE  19 -11.579   7.678 -13.396
  167    HE2  PHE  19           HE1      PHE  19 -15.212   6.500 -11.502
  168    HZ   PHE  19           HZ       PHE  19 -14.041   7.646 -13.340
  169    H    TYR  20           H        TYR  20  -8.954   7.027  -6.793
  170    HA   TYR  20           HA       TYR  20  -7.857   4.584  -5.924
  171    HB2  TYR  20           HB2      TYR  20  -6.538   6.572  -5.737
  172    HB3  TYR  20           HB3      TYR  20  -7.758   7.362  -4.744
  173    HD1  TYR  20           HD2      TYR  20  -5.313   4.569  -4.773
  174    HD2  TYR  20           HD1      TYR  20  -7.714   7.161  -2.403
  175    HE1  TYR  20           HE2      TYR  20  -4.179   3.758  -2.747
  176    HE2  TYR  20           HE1      TYR  20  -6.585   6.358  -0.370
  177    HH   TYR  20           HH       TYR  20  -4.806   5.192   0.409
  178    H    LYS  21           H        LYS  21 -10.601   6.413  -4.873
  179    HA   LYS  21           HA       LYS  21 -10.855   5.358  -2.262
  180    HB2  LYS  21           HB2      LYS  21 -12.033   7.389  -3.119
  181    HB3  LYS  21           HB3      LYS  21 -13.065   6.336  -4.078
  182    HG2  LYS  21           HG2      LYS  21 -14.155   5.493  -2.217
  183    HG3  LYS  21           HG3      LYS  21 -12.854   5.961  -1.120
  184    HD2  LYS  21           HD2      LYS  21 -14.751   7.422  -0.793
  185    HD3  LYS  21           HD3      LYS  21 -13.424   8.334  -1.515
  186    HE2  LYS  21           HE2      LYS  21 -14.491   7.965  -3.744
  187    HE3  LYS  21           HE3      LYS  21 -15.869   7.252  -2.907
  188    HZ1  LYS  21           HZ1      LYS  21 -14.998   9.897  -2.033
  189    HZ2  LYS  21           HZ2      LYS  21 -16.558   9.253  -2.141
  190    HZ3  LYS  21           HZ3      LYS  21 -15.771   9.801  -3.535
  191    H    GLN  22           H        GLN  22 -11.828   4.203  -5.418
  192    HA   GLN  22           HA       GLN  22 -13.331   1.992  -4.256
  193    HB2  GLN  22           HB2      GLN  22 -13.992   3.354  -6.367
  194    HB3  GLN  22           HB3      GLN  22 -12.807   2.350  -7.190
  195    HG2  GLN  22           HG2      GLN  22 -14.573   1.020  -7.550
  196    HG3  GLN  22           HG3      GLN  22 -14.220   0.451  -5.919
  197   HE21  GLN  22          HE21      GLN  22 -16.739   0.314  -7.168
  198   HE22  GLN  22          HE22      GLN  22 -17.834   1.311  -6.278
  199    H    ILE  23           H        ILE  23 -10.460   2.539  -6.261
  200    HA   ILE  23           HA       ILE  23  -9.728  -0.096  -6.727
  201    HB   ILE  23           HB       ILE  23  -7.903   2.267  -6.271
  202   HG12  ILE  23          HG12      ILE  23  -8.497   1.187  -8.976
  203   HG13  ILE  23          HG13      ILE  23  -9.775   2.103  -8.183
  204   HG21  ILE  23          HG21      ILE  23  -6.574   0.326  -6.074
  205   HG22  ILE  23          HG22      ILE  23  -7.400  -0.467  -7.414
  206   HG23  ILE  23          HG23      ILE  23  -6.338   0.907  -7.722
  207   HD11  ILE  23          HD11      ILE  23  -7.317   3.016  -9.425
  208   HD12  ILE  23          HD12      ILE  23  -8.796   3.899  -9.047
  209   HD13  ILE  23          HD13      ILE  23  -7.560   3.680  -7.809
  210    H    MET  24           H        MET  24  -8.364   2.013  -4.186
  211    HA   MET  24           HA       MET  24  -6.975   0.032  -2.819
  212    HB2  MET  24           HB2      MET  24  -6.941   2.605  -2.530
  213    HB3  MET  24           HB3      MET  24  -8.256   2.345  -1.392
  214    HG2  MET  24           HG2      MET  24  -5.803   0.719  -1.053
  215    HG3  MET  24           HG3      MET  24  -5.722   2.429  -0.639
  216    HE1  MET  24           HE1      MET  24  -6.438   3.492   1.011
  217    HE2  MET  24           HE2      MET  24  -7.922   3.207   1.919
  218    HE3  MET  24           HE3      MET  24  -6.374   2.659   2.564
  219    H    GLN  25           H        GLN  25 -10.355   0.762  -2.855
  220    HA   GLN  25           HA       GLN  25 -11.014  -0.560  -0.407
  221    HB2  GLN  25           HB2      GLN  25 -12.485   0.702  -2.637
  222    HB3  GLN  25           HB3      GLN  25 -13.344  -0.579  -1.791
  223    HG2  GLN  25           HG2      GLN  25 -12.045   1.693  -0.328
  224    HG3  GLN  25           HG3      GLN  25 -13.680   1.807  -0.979
  225   HE21  GLN  25          HE21      GLN  25 -15.021   1.674   0.675
  226   HE22  GLN  25          HE22      GLN  25 -14.971   0.484   1.927
  227    H    PHE  26           H        PHE  26 -10.529  -1.550  -3.693
  228    HA   PHE  26           HA       PHE  26 -11.911  -4.047  -3.479
  229    HB2  PHE  26           HB2      PHE  26  -9.901  -2.997  -5.474
  230    HB3  PHE  26           HB3      PHE  26 -10.662  -4.578  -5.611
  231    HD1  PHE  26           HD2      PHE  26 -13.416  -4.012  -4.814
  232    HD2  PHE  26           HD1      PHE  26 -10.739  -1.746  -7.226
  233    HE1  PHE  26           HE2      PHE  26 -15.331  -2.989  -5.972
  234    HE2  PHE  26           HE1      PHE  26 -12.650  -0.719  -8.388
  235    HZ   PHE  26           HZ       PHE  26 -14.949  -1.341  -7.763
  236    H    ILE  27           H        ILE  27  -8.605  -2.958  -3.018
  237    HA   ILE  27           HA       ILE  27  -7.239  -5.357  -2.972
  238    HB   ILE  27           HB       ILE  27  -6.781  -2.987  -1.156
  239   HG12  ILE  27          HG12      ILE  27  -6.776  -2.426  -3.566
  240   HG13  ILE  27          HG13      ILE  27  -5.183  -2.246  -2.840
  241   HG21  ILE  27          HG21      ILE  27  -5.475  -5.546  -1.359
  242   HG22  ILE  27          HG22      ILE  27  -4.360  -4.238  -1.753
  243   HG23  ILE  27          HG23      ILE  27  -5.208  -4.237  -0.207
  244   HD11  ILE  27          HD11      ILE  27  -5.376  -4.883  -3.837
  245   HD12  ILE  27          HD12      ILE  27  -5.944  -3.782  -5.092
  246   HD13  ILE  27          HD13      ILE  27  -4.341  -3.567  -4.391
  247    H    GLY  28           H        GLY  28  -9.065  -3.810  -0.353
  248    HA2  GLY  28           HA2      GLY  28  -8.438  -5.793   1.595
  249    HA3  GLY  28           HA3      GLY  28  -9.719  -4.595   1.710
  250    H    GLN  29           H        GLN  29 -10.689  -5.685  -0.995
  251    HA   GLN  29           HA       GLN  29 -12.522  -7.591   0.155
  252    HB2  GLN  29           HB2      GLN  29 -13.454  -6.005  -1.370
  253    HB3  GLN  29           HB3      GLN  29 -12.261  -6.394  -2.601
  254    HG2  GLN  29           HG2      GLN  29 -14.384  -7.358  -3.186
  255    HG3  GLN  29           HG3      GLN  29 -13.231  -8.638  -2.812
  256   HE21  GLN  29          HE21      GLN  29 -14.484 -10.230  -2.081
  257   HE22  GLN  29          HE22      GLN  29 -15.586 -10.102  -0.757
  258    H    GLY  30           H        GLY  30  -9.692  -7.650  -1.869
  259    HA2  GLY  30           HA2      GLY  30  -8.399  -9.712  -1.896
  260    HA3  GLY  30           HA3      GLY  30  -9.919 -10.592  -1.979
  261    H    TRP  31           H        TRP  31  -9.419  -7.715  -3.870
  262    HA   TRP  31           HA       TRP  31  -9.810  -9.233  -6.298
  263    HB2  TRP  31           HB2      TRP  31  -9.658  -6.308  -5.636
  264    HB3  TRP  31           HB3      TRP  31  -9.568  -6.847  -7.310
  265    HD1  TRP  31           HD1      TRP  31 -11.868  -8.765  -4.981
  266    HE1  TRP  31           HE1      TRP  31 -14.312  -8.277  -5.622
  267    HE3  TRP  31           HE3      TRP  31 -11.089  -4.978  -8.325
  268    HZ2  TRP  31           HZ2      TRP  31 -15.724  -6.519  -7.321
  269    HZ3  TRP  31           HZ3      TRP  31 -13.040  -3.947  -9.415
  270    HH2  TRP  31           HH2      TRP  31 -15.308  -4.703  -8.922
  271    H    THR  32           H        THR  32  -8.311  -9.764  -7.774
  272    HA   THR  32           HA       THR  32  -5.536  -9.434  -7.105
  273    HB   THR  32           HB       THR  32  -5.044 -10.865  -8.939
  274    HG1  THR  32           HG1      THR  32  -7.597 -10.070  -9.861
  275   HG21  THR  32          HG21      THR  32  -6.116 -11.985  -7.043
  276   HG22  THR  32          HG22      THR  32  -6.532 -12.776  -8.564
  277   HG23  THR  32          HG23      THR  32  -7.698 -11.715  -7.773
  278    H    ILE  33           H        ILE  33  -4.043  -8.938  -9.118
  279    HA   ILE  33           HA       ILE  33  -4.273  -6.195  -9.646
  280    HB   ILE  33           HB       ILE  33  -2.634  -8.251 -11.134
  281   HG12  ILE  33          HG12      ILE  33  -0.895  -6.873  -9.565
  282   HG13  ILE  33          HG13      ILE  33  -2.327  -6.865  -8.542
  283   HG21  ILE  33          HG21      ILE  33  -2.233  -6.566 -12.542
  284   HG22  ILE  33          HG22      ILE  33  -2.973  -5.380 -11.468
  285   HG23  ILE  33          HG23      ILE  33  -1.291  -5.854 -11.232
  286   HD11  ILE  33          HD11      ILE  33  -1.639  -9.462  -9.728
  287   HD12  ILE  33          HD12      ILE  33  -0.488  -8.824  -8.553
  288   HD13  ILE  33          HD13      ILE  33  -2.176  -9.057  -8.098
  289    H    ASP  34           H        ASP  34  -5.387  -8.996 -11.407
  290    HA   ASP  34           HA       ASP  34  -5.933  -7.604 -13.848
  291    HB2  ASP  34           HB2      ASP  34  -5.602 -10.174 -13.390
  292    HB3  ASP  34           HB3      ASP  34  -7.338 -10.138 -13.095
  293    H    GLN  35           H        GLN  35  -7.755  -8.415 -10.956
  294    HA   GLN  35           HA       GLN  35 -10.339  -7.907 -11.810
  295    HB2  GLN  35           HB2      GLN  35  -8.928  -7.844  -9.212
  296    HB3  GLN  35           HB3      GLN  35 -10.443  -6.954  -9.281
  297    HG2  GLN  35           HG2      GLN  35 -10.619  -9.320  -8.491
  298    HG3  GLN  35           HG3      GLN  35 -11.668  -8.893  -9.842
  299   HE21  GLN  35          HE21      GLN  35  -9.394 -11.060  -8.685
  300   HE22  GLN  35          HE22      GLN  35  -9.064 -11.902 -10.157
  301    H    ILE  36           H        ILE  36  -7.967  -5.613 -10.491
  302    HA   ILE  36           HA       ILE  36  -9.709  -3.360 -10.897
  303    HB   ILE  36           HB       ILE  36  -6.766  -3.438 -10.222
  304   HG12  ILE  36          HG12      ILE  36  -7.878  -2.634  -7.958
  305   HG13  ILE  36          HG13      ILE  36  -9.274  -3.493  -8.598
  306   HG21  ILE  36          HG21      ILE  36  -7.016  -1.298 -11.006
  307   HG22  ILE  36          HG22      ILE  36  -8.718  -1.215 -10.556
  308   HG23  ILE  36          HG23      ILE  36  -7.471  -1.075  -9.317
  309   HD11  ILE  36          HD11      ILE  36  -8.224  -5.542  -8.487
  310   HD12  ILE  36          HD12      ILE  36  -6.610  -4.832  -8.491
  311   HD13  ILE  36          HD13      ILE  36  -7.618  -4.723  -7.048
  312    H    GLU  37           H        GLU  37  -6.659  -4.470 -12.367
  313    HA   GLU  37           HA       GLU  37  -6.331  -2.498 -14.266
  314    HB2  GLU  37           HB2      GLU  37  -5.614  -5.409 -14.215
  315    HB3  GLU  37           HB3      GLU  37  -5.306  -4.455 -15.659
  316    HG2  GLU  37           HG2      GLU  37  -4.080  -2.837 -14.110
  317    HG3  GLU  37           HG3      GLU  37  -4.128  -4.141 -12.924
  318    H    LYS  38           H        LYS  38  -8.565  -5.176 -14.243
  319    HA   LYS  38           HA       LYS  38  -9.363  -4.711 -17.003
  320    HB2  LYS  38           HB2      LYS  38 -10.293  -6.696 -14.925
  321    HB3  LYS  38           HB3      LYS  38 -10.976  -6.587 -16.542
  322    HG2  LYS  38           HG2      LYS  38  -8.036  -6.971 -16.164
  323    HG3  LYS  38           HG3      LYS  38  -9.145  -8.339 -16.056
  324    HD2  LYS  38           HD2      LYS  38 -10.042  -7.621 -18.311
  325    HD3  LYS  38           HD3      LYS  38  -8.669  -6.516 -18.405
  326    HE2  LYS  38           HE2      LYS  38  -7.115  -8.299 -18.382
  327    HE3  LYS  38           HE3      LYS  38  -8.347  -9.463 -17.898
  328    HZ1  LYS  38           HZ1      LYS  38  -8.749  -9.878 -20.019
  329    HZ2  LYS  38           HZ2      LYS  38  -7.547  -8.782 -20.483
  330    HZ3  LYS  38           HZ3      LYS  38  -9.145  -8.257 -20.300
  331    H    TRP  39           H        TRP  39 -10.689  -4.398 -13.738
  332    HA   TRP  39           HA       TRP  39 -13.273  -3.582 -14.437
  333    HB2  TRP  39           HB2      TRP  39 -12.756  -4.229 -12.166
  334    HB3  TRP  39           HB3      TRP  39 -11.601  -2.908 -12.009
  335    HD1  TRP  39           HD1      TRP  39 -15.298  -3.687 -11.771
  336    HE1  TRP  39           HE1      TRP  39 -16.548  -1.607 -10.914
  337    HE3  TRP  39           HE3      TRP  39 -11.500  -0.277 -12.067
  338    HZ2  TRP  39           HZ2      TRP  39 -15.998   1.119 -10.428
  339    HZ3  TRP  39           HZ3      TRP  39 -11.945   2.046 -11.388
  340    HH2  TRP  39           HH2      TRP  39 -14.149   2.727 -10.586
  341    H    LEU  40           H        LEU  40 -10.262  -1.804 -14.231
  342    HA   LEU  40           HA       LEU  40 -11.540   0.768 -14.534
  343    HB2  LEU  40           HB2      LEU  40  -9.534   0.696 -13.247
  344    HB3  LEU  40           HB3      LEU  40  -8.663  -0.114 -14.547
  345    HG   LEU  40           HG       LEU  40  -8.668   1.899 -15.871
  346   HD11  LEU  40          HD11      LEU  40 -10.875   2.734 -15.202
  347   HD12  LEU  40          HD12      LEU  40  -9.631   3.977 -15.074
  348   HD13  LEU  40          HD13      LEU  40 -10.223   3.169 -13.622
  349   HD21  LEU  40          HD21      LEU  40  -7.364   1.602 -13.392
  350   HD22  LEU  40          HD22      LEU  40  -7.835   3.297 -13.521
  351   HD23  LEU  40          HD23      LEU  40  -6.850   2.556 -14.784
  352    H    LYS  41           H        LYS  41  -9.454  -1.307 -16.534
  353    HA   LYS  41           HA       LYS  41  -9.329   0.261 -18.810
  354    HB2  LYS  41           HB2      LYS  41  -9.134  -2.660 -18.272
  355    HB3  LYS  41           HB3      LYS  41  -9.322  -2.155 -19.946
  356    HG2  LYS  41           HG2      LYS  41  -7.359  -0.541 -19.402
  357    HG3  LYS  41           HG3      LYS  41  -7.069  -1.648 -18.058
  358    HD2  LYS  41           HD2      LYS  41  -5.722  -2.413 -19.848
  359    HD3  LYS  41           HD3      LYS  41  -7.095  -3.519 -19.758
  360    HE2  LYS  41           HE2      LYS  41  -8.180  -2.355 -21.592
  361    HE3  LYS  41           HE3      LYS  41  -6.868  -1.179 -21.650
  362    HZ1  LYS  41           HZ1      LYS  41  -5.348  -2.945 -22.262
  363    HZ2  LYS  41           HZ2      LYS  41  -6.633  -2.877 -23.359
  364    HZ3  LYS  41           HZ3      LYS  41  -6.592  -4.089 -22.180
  365    H    ARG  42           H        ARG  42 -11.818  -2.069 -17.851
  366    HA   ARG  42           HA       ARG  42 -13.353  -1.753 -20.239
  367    HB2  ARG  42           HB2      ARG  42 -13.737  -3.113 -17.611
  368    HB3  ARG  42           HB3      ARG  42 -15.158  -2.800 -18.600
  369    HG2  ARG  42           HG2      ARG  42 -12.764  -4.146 -19.779
  370    HG3  ARG  42           HG3      ARG  42 -13.931  -5.060 -18.821
  371    HD2  ARG  42           HD2      ARG  42 -15.697  -4.540 -20.318
  372    HD3  ARG  42           HD3      ARG  42 -14.723  -3.329 -21.150
  373    HE   ARG  42           HE       ARG  42 -13.325  -5.620 -21.515
  374   HH11  ARG  42          HH11      ARG  42 -16.638  -4.708 -22.074
  375   HH12  ARG  42          HH12      ARG  42 -16.846  -5.788 -23.413
  376   HH21  ARG  42          HH21      ARG  42 -13.586  -7.045 -23.277
  377   HH22  ARG  42          HH22      ARG  42 -15.110  -7.118 -24.096
  378    H    HIS  43           H        HIS  43 -13.218  -0.148 -17.155
  379    HA   HIS  43           HA       HIS  43 -14.308   1.654 -16.293
  380    HB2  HIS  43           HB2      HIS  43 -13.473   2.550 -18.541
  381    HB3  HIS  43           HB3      HIS  43 -15.123   2.329 -19.116
  382    HD1  HIS  43           HD1      HIS  43 -16.757   4.153 -18.599
  383    HD2  HIS  43           HD2      HIS  43 -13.261   4.477 -16.378
  384    HE1  HIS  43           HE1      HIS  43 -16.917   6.364 -17.413
  Start of MODEL   13
    1    HCN  FME   1           HF       FME   1  -1.300   0.545   2.431
    2    HA   FME   1           HA       FME   1   0.253  -0.008  -0.810
    3    HB2  FME   1           HB2      FME   1   2.644   0.204  -1.408
    4    HB3  FME   1           HB3      FME   1   3.025   0.533   0.318
    5    HG2  FME   1           HG2      FME   1   1.496   2.580   0.228
    6    HG3  FME   1           HG3      FME   1   1.278   2.303  -1.537
    7    HE1  FME   1           HE8      FME   1   4.230   3.360   1.287
    8    HE2  FME   1           HE2      FME   1   2.638   4.143   0.926
    9    HE3  FME   1           HE3      FME   1   4.183   4.908   0.349
   10    H    GLY   2           H        GLY   2  -0.138  -1.838  -1.492
   11    HA2  GLY   2           HA2      GLY   2   1.570  -4.086  -0.746
   12    HA3  GLY   2           HA3      GLY   2  -0.142  -4.242  -0.381
   13    H    ALA   3           H        ALA   3  -1.402  -3.235  -2.521
   14    HA   ALA   3           HA       ALA   3  -0.300  -4.657  -4.848
   15    HB1  ALA   3           HB1      ALA   3  -3.185  -4.801  -3.986
   16    HB2  ALA   3           HB2      ALA   3  -2.443  -5.625  -5.359
   17    HB3  ALA   3           HB3      ALA   3  -1.989  -6.068  -3.713
   18    H    ILE   4           H        ILE   4  -0.091  -1.919  -4.453
   19    HA   ILE   4           HA       ILE   4  -2.081  -0.834  -6.336
   20    HB   ILE   4           HB       ILE   4  -0.432   0.716  -4.338
   21   HG12  ILE   4          HG12      ILE   4  -2.119  -0.734  -3.253
   22   HG13  ILE   4          HG13      ILE   4  -2.492   0.976  -3.064
   23   HG21  ILE   4          HG21      ILE   4  -2.073   1.472  -6.605
   24   HG22  ILE   4          HG22      ILE   4  -2.617   2.226  -5.108
   25   HG23  ILE   4          HG23      ILE   4  -0.953   2.441  -5.649
   26   HD11  ILE   4          HD11      ILE   4  -3.769  -0.919  -5.021
   27   HD12  ILE   4          HD12      ILE   4  -4.494  -0.281  -3.545
   28   HD13  ILE   4          HD13      ILE   4  -4.123   0.803  -4.885
   29    H    ALA   5           H        ALA   5   1.274  -1.352  -5.681
   30    HA   ALA   5           HA       ALA   5   2.370   0.510  -7.508
   31    HB1  ALA   5           HB1      ALA   5   3.750  -2.064  -6.905
   32    HB2  ALA   5           HB2      ALA   5   4.412  -0.435  -7.041
   33    HB3  ALA   5           HB3      ALA   5   3.492  -0.896  -5.609
   34    H    LYS   6           H        LYS   6   1.026  -2.684  -7.869
   35    HA   LYS   6           HA       LYS   6   2.098  -3.133 -10.496
   36    HB2  LYS   6           HB2      LYS   6  -0.261  -4.540  -9.250
   37    HB3  LYS   6           HB3      LYS   6   0.811  -5.140 -10.509
   38    HG2  LYS   6           HG2      LYS   6   1.663  -4.572  -7.678
   39    HG3  LYS   6           HG3      LYS   6   1.201  -6.162  -8.290
   40    HD2  LYS   6           HD2      LYS   6   3.008  -5.819 -10.058
   41    HD3  LYS   6           HD3      LYS   6   3.567  -4.474  -9.062
   42    HE2  LYS   6           HE2      LYS   6   3.729  -6.072  -7.145
   43    HE3  LYS   6           HE3      LYS   6   3.367  -7.377  -8.274
   44    HZ1  LYS   6           HZ1      LYS   6   5.813  -6.788  -7.727
   45    HZ2  LYS   6           HZ2      LYS   6   5.591  -5.539  -8.846
   46    HZ3  LYS   6           HZ3      LYS   6   5.382  -7.149  -9.322
   47    H    LEU   7           H        LEU   7  -0.715  -1.613  -9.161
   48    HA   LEU   7           HA       LEU   7  -2.130  -1.590 -11.698
   49    HB2  LEU   7           HB2      LEU   7  -2.940  -0.008  -9.293
   50    HB3  LEU   7           HB3      LEU   7  -3.950  -0.717 -10.551
   51    HG   LEU   7           HG       LEU   7  -2.469  -2.346  -8.493
   52   HD11  LEU   7          HD11      LEU   7  -5.061  -2.554  -7.790
   53   HD12  LEU   7          HD12      LEU   7  -5.014  -0.876  -8.328
   54   HD13  LEU   7          HD13      LEU   7  -3.929  -1.423  -7.050
   55   HD21  LEU   7          HD21      LEU   7  -4.561  -3.830  -9.271
   56   HD22  LEU   7          HD22      LEU   7  -2.984  -3.894 -10.058
   57   HD23  LEU   7          HD23      LEU   7  -4.279  -2.919 -10.755
   58    H    VAL   8           H        VAL   8  -0.664   0.773  -9.481
   59    HA   VAL   8           HA       VAL   8  -1.133   3.031 -11.115
   60    HB   VAL   8           HB       VAL   8   0.988   2.614  -9.003
   61   HG11  VAL   8          HG11      VAL   8   1.814   4.557  -9.714
   62   HG12  VAL   8          HG12      VAL   8   0.452   4.818 -10.806
   63   HG13  VAL   8          HG13      VAL   8   0.333   5.305  -9.114
   64   HG21  VAL   8          HG21      VAL   8  -0.506   3.364  -7.422
   65   HG22  VAL   8          HG22      VAL   8  -1.508   4.202  -8.606
   66   HG23  VAL   8          HG23      VAL   8  -1.573   2.444  -8.482
   67    H    ALA   9           H        ALA   9   1.343   0.591 -11.096
   68    HA   ALA   9           HA       ALA   9   3.421   1.861 -12.416
   69    HB1  ALA   9           HB1      ALA   9   2.522  -0.931 -12.114
   70    HB2  ALA   9           HB2      ALA   9   3.611  -0.609 -13.463
   71    HB3  ALA   9           HB3      ALA   9   4.102  -0.206 -11.818
   72    H    LYS  10           H        LYS  10   0.345   0.808 -13.630
   73    HA   LYS  10           HA       LYS  10   1.188   1.468 -16.373
   74    HB2  LYS  10           HB2      LYS  10  -1.266  -0.085 -15.547
   75    HB3  LYS  10           HB3      LYS  10  -0.626   0.104 -17.174
   76    HG2  LYS  10           HG2      LYS  10   0.862  -1.275 -14.953
   77    HG3  LYS  10           HG3      LYS  10  -0.184  -2.111 -16.104
   78    HD2  LYS  10           HD2      LYS  10   1.207  -1.510 -17.934
   79    HD3  LYS  10           HD3      LYS  10   2.124  -0.369 -16.947
   80    HE2  LYS  10           HE2      LYS  10   3.200  -2.088 -15.767
   81    HE3  LYS  10           HE3      LYS  10   2.036  -3.299 -16.300
   82    HZ1  LYS  10           HZ1      LYS  10   3.351  -2.073 -18.507
   83    HZ2  LYS  10           HZ2      LYS  10   3.238  -3.711 -18.102
   84    HZ3  LYS  10           HZ3      LYS  10   4.470  -2.760 -17.440
   85    H    PHE  11           H        PHE  11  -1.238   2.051 -13.893
   86    HA   PHE  11           HA       PHE  11  -2.786   3.843 -15.514
   87    HB2  PHE  11           HB2      PHE  11  -2.800   3.357 -12.528
   88    HB3  PHE  11           HB3      PHE  11  -3.979   4.338 -13.393
   89    HD1  PHE  11           HD2      PHE  11  -4.419   2.681 -15.799
   90    HD2  PHE  11           HD1      PHE  11  -4.051   1.584 -11.703
   91    HE1  PHE  11           HE2      PHE  11  -5.782   0.676 -16.217
   92    HE2  PHE  11           HE1      PHE  11  -5.412  -0.424 -12.115
   93    HZ   PHE  11           HZ       PHE  11  -6.281  -0.879 -14.374
   94    H    GLY  12           H        GLY  12  -1.083   4.467 -12.440
   95    HA2  GLY  12           HA2      GLY  12   0.727   6.169 -12.495
   96    HA3  GLY  12           HA3      GLY  12  -0.333   7.108 -13.536
   97    H    TRP  13           H        TRP  13   0.581   8.423 -11.443
   98    HA   TRP  13           HA       TRP  13  -0.915   8.146  -9.053
   99    HB2  TRP  13           HB2      TRP  13   0.214  10.790  -9.877
  100    HB3  TRP  13           HB3      TRP  13   0.217  10.015  -8.295
  101    HD1  TRP  13           HD1      TRP  13   2.544  10.905 -10.900
  102    HE1  TRP  13           HE1      TRP  13   4.684   9.478 -10.807
  103    HE3  TRP  13           HE3      TRP  13   0.894   7.168  -7.827
  104    HZ2  TRP  13           HZ2      TRP  13   5.557   7.085  -9.592
  105    HZ3  TRP  13           HZ3      TRP  13   2.444   5.346  -7.249
  106    HH2  TRP  13           HH2      TRP  13   4.727   5.307  -8.114
  107    HA   PRO  14           HA       PRO  14  -3.554  11.789 -10.860
  108    HB2  PRO  14           HB2      PRO  14  -3.356  12.216 -13.534
  109    HB3  PRO  14           HB3      PRO  14  -2.323  13.029 -12.352
  110    HG2  PRO  14           HG2      PRO  14  -1.734  10.638 -14.054
  111    HG3  PRO  14           HG3      PRO  14  -0.702  12.034 -13.690
  112    HD2  PRO  14           HD2      PRO  14  -0.430   9.652 -12.431
  113    HD3  PRO  14           HD3      PRO  14  -0.086  11.199 -11.631
  114    H    PHE  15           H        PHE  15  -3.087   8.692 -12.146
  115    HA   PHE  15           HA       PHE  15  -5.785   8.622 -13.308
  116    HB2  PHE  15           HB2      PHE  15  -3.580   7.768 -14.496
  117    HB3  PHE  15           HB3      PHE  15  -3.892   6.323 -13.540
  118    HD1  PHE  15           HD1      PHE  15  -6.042   5.099 -13.839
  119    HD2  PHE  15           HD2      PHE  15  -4.837   8.257 -16.426
  120    HE1  PHE  15           HE1      PHE  15  -7.662   4.332 -15.525
  121    HE2  PHE  15           HE2      PHE  15  -6.456   7.496 -18.115
  122    HZ   PHE  15           HZ       PHE  15  -7.871   5.532 -17.665
  123    H    ILE  16           H        ILE  16  -3.787   7.360 -10.760
  124    HA   ILE  16           HA       ILE  16  -5.722   5.342  -9.987
  125    HB   ILE  16           HB       ILE  16  -3.237   5.017  -9.743
  126   HG12  ILE  16          HG12      ILE  16  -3.543   4.223  -7.236
  127   HG13  ILE  16          HG13      ILE  16  -5.226   4.638  -7.545
  128   HG21  ILE  16          HG21      ILE  16  -2.718   7.271  -8.922
  129   HG22  ILE  16          HG22      ILE  16  -3.578   6.914  -7.425
  130   HG23  ILE  16          HG23      ILE  16  -2.116   6.018  -7.836
  131   HD11  ILE  16          HD11      ILE  16  -4.985   3.154  -9.627
  132   HD12  ILE  16          HD12      ILE  16  -3.540   2.533  -8.830
  133   HD13  ILE  16          HD13      ILE  16  -5.113   2.382  -8.047
  134    H    LYS  17           H        LYS  17  -4.811   8.583  -9.098
  135    HA   LYS  17           HA       LYS  17  -6.170   8.606  -6.581
  136    HB2  LYS  17           HB2      LYS  17  -5.653  10.921  -6.493
  137    HB3  LYS  17           HB3      LYS  17  -4.276  10.141  -7.260
  138    HG2  LYS  17           HG2      LYS  17  -5.285  10.788  -9.473
  139    HG3  LYS  17           HG3      LYS  17  -6.435  11.773  -8.567
  140    HD2  LYS  17           HD2      LYS  17  -4.298  12.765  -7.458
  141    HD3  LYS  17           HD3      LYS  17  -3.479  12.112  -8.878
  142    HE2  LYS  17           HE2      LYS  17  -3.996  14.268  -9.545
  143    HE3  LYS  17           HE3      LYS  17  -5.336  13.334 -10.206
  144    HZ1  LYS  17           HZ1      LYS  17  -6.778  14.446  -8.960
  145    HZ2  LYS  17           HZ2      LYS  17  -5.531  15.522  -8.578
  146    HZ3  LYS  17           HZ3      LYS  17  -5.870  14.223  -7.549
  147    H    LYS  18           H        LYS  18  -7.145   8.900  -9.844
  148    HA   LYS  18           HA       LYS  18  -9.506  10.461  -9.373
  149    HB2  LYS  18           HB2      LYS  18  -8.272  10.295 -11.573
  150    HB3  LYS  18           HB3      LYS  18  -8.932   8.673 -11.738
  151    HG2  LYS  18           HG2      LYS  18 -11.151   9.493 -11.872
  152    HG3  LYS  18           HG3      LYS  18 -10.651  11.113 -11.380
  153    HD2  LYS  18           HD2      LYS  18  -9.115  10.875 -13.534
  154    HD3  LYS  18           HD3      LYS  18 -10.393   9.754 -14.009
  155    HE2  LYS  18           HE2      LYS  18 -10.739  12.643 -13.215
  156    HE3  LYS  18           HE3      LYS  18 -10.869  11.982 -14.844
  157    HZ1  LYS  18           HZ1      LYS  18 -12.854  12.161 -12.860
  158    HZ2  LYS  18           HZ2      LYS  18 -12.595  10.528 -13.218
  159    HZ3  LYS  18           HZ3      LYS  18 -13.001  11.611 -14.453
  160    H    PHE  19           H        PHE  19  -8.672   7.091  -9.292
  161    HA   PHE  19           HA       PHE  19 -11.444   6.470  -8.536
  162    HB2  PHE  19           HB2      PHE  19  -9.682   4.696 -10.238
  163    HB3  PHE  19           HB3      PHE  19 -11.333   4.352  -9.732
  164    HD1  PHE  19           HD2      PHE  19 -13.211   5.611 -10.691
  165    HD2  PHE  19           HD1      PHE  19  -9.219   6.145 -12.069
  166    HE1  PHE  19           HE2      PHE  19 -14.063   6.707 -12.722
  167    HE2  PHE  19           HE1      PHE  19 -10.065   7.243 -14.102
  168    HZ   PHE  19           HZ       PHE  19 -12.489   7.524 -14.431
  169    H    TYR  20           H        TYR  20  -9.057   7.030  -6.943
  170    HA   TYR  20           HA       TYR  20  -7.943   4.639  -5.930
  171    HB2  TYR  20           HB2      TYR  20  -7.104   7.067  -5.670
  172    HB3  TYR  20           HB3      TYR  20  -8.227   7.164  -4.318
  173    HD1  TYR  20           HD1      TYR  20  -5.678   4.718  -5.563
  174    HD2  TYR  20           HD2      TYR  20  -7.262   6.872  -2.253
  175    HE1  TYR  20           HE1      TYR  20  -3.991   3.693  -4.096
  176    HE2  TYR  20           HE2      TYR  20  -5.578   5.855  -0.778
  177    HH   TYR  20           HH       TYR  20  -2.861   4.347  -1.852
  178    H    LYS  21           H        LYS  21 -10.912   6.307  -5.312
  179    HA   LYS  21           HA       LYS  21 -11.497   5.234  -2.764
  180    HB2  LYS  21           HB2      LYS  21 -12.635   7.193  -3.927
  181    HB3  LYS  21           HB3      LYS  21 -13.534   5.998  -4.853
  182    HG2  LYS  21           HG2      LYS  21 -14.741   5.288  -3.022
  183    HG3  LYS  21           HG3      LYS  21 -13.533   5.865  -1.871
  184    HD2  LYS  21           HD2      LYS  21 -14.284   8.034  -1.964
  185    HD3  LYS  21           HD3      LYS  21 -14.931   7.852  -3.597
  186    HE2  LYS  21           HE2      LYS  21 -16.869   7.921  -2.370
  187    HE3  LYS  21           HE3      LYS  21 -16.577   6.183  -2.427
  188    HZ1  LYS  21           HZ1      LYS  21 -15.842   7.987  -0.184
  189    HZ2  LYS  21           HZ2      LYS  21 -15.563   6.319  -0.238
  190    HZ3  LYS  21           HZ3      LYS  21 -17.147   6.911  -0.197
  191    H    GLN  22           H        GLN  22 -11.900   4.021  -6.019
  192    HA   GLN  22           HA       GLN  22 -13.481   1.754  -5.122
  193    HB2  GLN  22           HB2      GLN  22 -12.437   2.541  -7.845
  194    HB3  GLN  22           HB3      GLN  22 -13.395   1.098  -7.540
  195    HG2  GLN  22           HG2      GLN  22 -15.317   2.295  -7.128
  196    HG3  GLN  22           HG3      GLN  22 -14.437   3.764  -6.706
  197   HE21  GLN  22          HE21      GLN  22 -16.630   3.456  -8.555
  198   HE22  GLN  22          HE22      GLN  22 -16.054   3.977 -10.099
  199    H    ILE  23           H        ILE  23 -10.370   2.232  -6.798
  200    HA   ILE  23           HA       ILE  23  -9.482  -0.378  -6.814
  201    HB   ILE  23           HB       ILE  23  -7.808   2.104  -6.412
  202   HG12  ILE  23          HG12      ILE  23  -8.010   0.707  -9.027
  203   HG13  ILE  23          HG13      ILE  23  -9.412   1.637  -8.512
  204   HG21  ILE  23          HG21      ILE  23  -6.492   0.210  -5.818
  205   HG22  ILE  23          HG22      ILE  23  -7.060  -0.698  -7.218
  206   HG23  ILE  23          HG23      ILE  23  -6.007   0.699  -7.441
  207   HD11  ILE  23          HD11      ILE  23  -6.886   2.535  -9.578
  208   HD12  ILE  23          HD12      ILE  23  -8.411   3.403  -9.394
  209   HD13  ILE  23          HD13      ILE  23  -7.272   3.327  -8.050
  210    H    MET  24           H        MET  24  -8.598   2.073  -4.370
  211    HA   MET  24           HA       MET  24  -7.289   0.360  -2.618
  212    HB2  MET  24           HB2      MET  24  -7.225   2.826  -2.472
  213    HB3  MET  24           HB3      MET  24  -8.892   2.825  -1.913
  214    HG2  MET  24           HG2      MET  24  -8.160   1.457   0.036
  215    HG3  MET  24           HG3      MET  24  -6.497   1.684  -0.499
  216    HE1  MET  24           HE1      MET  24  -7.013   3.135   2.668
  217    HE2  MET  24           HE2      MET  24  -5.880   2.326   1.584
  218    HE3  MET  24           HE3      MET  24  -5.670   4.036   1.964
  219    H    GLN  25           H        GLN  25 -10.675   0.808  -3.182
  220    HA   GLN  25           HA       GLN  25 -11.543  -0.386  -0.718
  221    HB2  GLN  25           HB2      GLN  25 -12.800   0.766  -3.107
  222    HB3  GLN  25           HB3      GLN  25 -13.684  -0.588  -2.416
  223    HG2  GLN  25           HG2      GLN  25 -12.790   1.810  -0.838
  224    HG3  GLN  25           HG3      GLN  25 -14.378   1.656  -1.587
  225   HE21  GLN  25          HE21      GLN  25 -15.792   0.016  -0.831
  226   HE22  GLN  25          HE22      GLN  25 -15.631  -0.622   0.766
  227    H    PHE  26           H        PHE  26 -10.895  -1.479  -3.983
  228    HA   PHE  26           HA       PHE  26 -12.089  -4.048  -3.690
  229    HB2  PHE  26           HB2      PHE  26  -9.989  -3.071  -5.637
  230    HB3  PHE  26           HB3      PHE  26 -10.843  -4.606  -5.760
  231    HD1  PHE  26           HD1      PHE  26 -13.585  -3.835  -5.084
  232    HD2  PHE  26           HD2      PHE  26 -10.678  -1.838  -7.468
  233    HE1  PHE  26           HE1      PHE  26 -15.384  -2.733  -6.349
  234    HE2  PHE  26           HE2      PHE  26 -12.473  -0.732  -8.736
  235    HZ   PHE  26           HZ       PHE  26 -14.830  -1.178  -8.176
  236    H    ILE  27           H        ILE  27  -8.863  -2.750  -3.173
  237    HA   ILE  27           HA       ILE  27  -7.422  -5.114  -2.917
  238    HB   ILE  27           HB       ILE  27  -7.026  -2.548  -1.374
  239   HG12  ILE  27          HG12      ILE  27  -6.996  -2.183  -3.787
  240   HG13  ILE  27          HG13      ILE  27  -5.369  -2.032  -3.132
  241   HG21  ILE  27          HG21      ILE  27  -5.707  -5.070  -1.197
  242   HG22  ILE  27          HG22      ILE  27  -4.589  -3.884  -1.868
  243   HG23  ILE  27          HG23      ILE  27  -5.371  -3.580  -0.317
  244   HD11  ILE  27          HD11      ILE  27  -4.806  -3.360  -4.834
  245   HD12  ILE  27          HD12      ILE  27  -5.431  -4.657  -3.815
  246   HD13  ILE  27          HD13      ILE  27  -6.456  -3.940  -5.059
  247    H    GLY  28           H        GLY  28  -9.287  -3.332  -0.481
  248    HA2  GLY  28           HA2      GLY  28  -8.626  -5.108   1.658
  249    HA3  GLY  28           HA3      GLY  28  -9.900  -3.897   1.668
  250    H    GLN  29           H        GLN  29 -10.911  -5.237  -0.904
  251    HA   GLN  29           HA       GLN  29 -12.744  -7.006   0.444
  252    HB2  GLN  29           HB2      GLN  29 -13.673  -5.581  -1.234
  253    HB3  GLN  29           HB3      GLN  29 -12.489  -6.106  -2.423
  254    HG2  GLN  29           HG2      GLN  29 -14.619  -7.111  -2.897
  255    HG3  GLN  29           HG3      GLN  29 -13.477  -8.354  -2.388
  256   HE21  GLN  29          HE21      GLN  29 -15.674  -9.417  -2.144
  257   HE22  GLN  29          HE22      GLN  29 -16.412  -9.302  -0.586
  258    H    GLY  30           H        GLY  30  -9.895  -7.301  -1.513
  259    HA2  GLY  30           HA2      GLY  30  -8.647  -9.386  -1.307
  260    HA3  GLY  30           HA3      GLY  30 -10.183 -10.237  -1.380
  261    H    TRP  31           H        TRP  31  -9.723  -7.551  -3.492
  262    HA   TRP  31           HA       TRP  31 -10.028  -9.229  -5.794
  263    HB2  TRP  31           HB2      TRP  31  -9.787  -6.283  -5.321
  264    HB3  TRP  31           HB3      TRP  31  -9.560  -6.910  -6.951
  265    HD1  TRP  31           HD1      TRP  31 -12.143  -8.557  -4.686
  266    HE1  TRP  31           HE1      TRP  31 -14.494  -8.060  -5.608
  267    HE3  TRP  31           HE3      TRP  31 -10.898  -5.160  -8.298
  268    HZ2  TRP  31           HZ2      TRP  31 -15.666  -6.443  -7.603
  269    HZ3  TRP  31           HZ3      TRP  31 -12.693  -4.186  -9.670
  270    HH2  TRP  31           HH2      TRP  31 -15.027  -4.816  -9.328
  271    H    THR  32           H        THR  32  -8.530  -9.907  -7.225
  272    HA   THR  32           HA       THR  32  -5.780  -9.840  -6.474
  273    HB   THR  32           HB       THR  32  -5.371 -11.093  -8.551
  274    HG1  THR  32           HG1      THR  32  -7.379 -11.639  -9.761
  275   HG21  THR  32          HG21      THR  32  -6.476 -12.072  -6.386
  276   HG22  THR  32          HG22      THR  32  -6.359 -13.057  -7.844
  277   HG23  THR  32          HG23      THR  32  -7.881 -12.267  -7.433
  278    H    ILE  33           H        ILE  33  -4.083  -9.313  -8.207
  279    HA   ILE  33           HA       ILE  33  -4.176  -6.544  -8.728
  280    HB   ILE  33           HB       ILE  33  -2.321  -8.595  -9.943
  281   HG12  ILE  33          HG12      ILE  33  -0.891  -7.307  -8.011
  282   HG13  ILE  33          HG13      ILE  33  -2.488  -7.356  -7.272
  283   HG21  ILE  33          HG21      ILE  33  -2.312  -6.476 -11.144
  284   HG22  ILE  33          HG22      ILE  33  -2.029  -5.610  -9.635
  285   HG23  ILE  33          HG23      ILE  33  -0.800  -6.705 -10.267
  286   HD11  ILE  33          HD11      ILE  33  -0.749  -9.290  -6.923
  287   HD12  ILE  33          HD12      ILE  33  -2.474  -9.625  -7.075
  288   HD13  ILE  33          HD13      ILE  33  -1.407  -9.852  -8.460
  289    H    ASP  34           H        ASP  34  -5.143  -9.305 -10.581
  290    HA   ASP  34           HA       ASP  34  -5.191  -7.925 -13.110
  291    HB2  ASP  34           HB2      ASP  34  -6.124 -10.627 -12.172
  292    HB3  ASP  34           HB3      ASP  34  -6.542 -10.026 -13.775
  293    H    GLN  35           H        GLN  35  -7.385  -8.500 -10.477
  294    HA   GLN  35           HA       GLN  35  -9.834  -8.078 -11.752
  295    HB2  GLN  35           HB2      GLN  35  -8.899  -7.582  -8.935
  296    HB3  GLN  35           HB3      GLN  35 -10.549  -7.230  -9.433
  297    HG2  GLN  35           HG2      GLN  35  -9.324  -9.930  -9.861
  298    HG3  GLN  35           HG3      GLN  35 -10.078  -9.483  -8.331
  299   HE21  GLN  35          HE21      GLN  35 -10.735 -11.390 -10.616
  300   HE22  GLN  35          HE22      GLN  35 -12.399 -11.068 -10.951
  301    H    ILE  36           H        ILE  36  -7.715  -5.733 -10.113
  302    HA   ILE  36           HA       ILE  36  -9.322  -3.483 -10.780
  303    HB   ILE  36           HB       ILE  36  -6.414  -3.586  -9.969
  304   HG12  ILE  36          HG12      ILE  36  -7.700  -2.643  -7.807
  305   HG13  ILE  36          HG13      ILE  36  -8.982  -3.647  -8.476
  306   HG21  ILE  36          HG21      ILE  36  -6.535  -1.462 -10.767
  307   HG22  ILE  36          HG22      ILE  36  -8.280  -1.359 -10.543
  308   HG23  ILE  36          HG23      ILE  36  -7.202  -1.177  -9.160
  309   HD11  ILE  36          HD11      ILE  36  -7.803  -5.596  -8.151
  310   HD12  ILE  36          HD12      ILE  36  -6.243  -4.772  -8.123
  311   HD13  ILE  36          HD13      ILE  36  -7.336  -4.639  -6.745
  312    H    GLU  37           H        GLU  37  -6.217  -4.678 -12.060
  313    HA   GLU  37           HA       GLU  37  -5.787  -2.781 -14.016
  314    HB2  GLU  37           HB2      GLU  37  -5.096  -5.699 -13.849
  315    HB3  GLU  37           HB3      GLU  37  -4.674  -4.760 -15.274
  316    HG2  GLU  37           HG2      GLU  37  -3.639  -3.129 -13.498
  317    HG3  GLU  37           HG3      GLU  37  -3.613  -4.585 -12.504
  318    H    LYS  38           H        LYS  38  -8.038  -5.440 -13.989
  319    HA   LYS  38           HA       LYS  38  -8.698  -5.076 -16.804
  320    HB2  LYS  38           HB2      LYS  38  -8.551  -7.345 -15.613
  321    HB3  LYS  38           HB3      LYS  38 -10.090  -6.922 -14.874
  322    HG2  LYS  38           HG2      LYS  38 -10.779  -8.145 -16.684
  323    HG3  LYS  38           HG3      LYS  38 -10.836  -6.506 -17.338
  324    HD2  LYS  38           HD2      LYS  38  -8.711  -6.810 -18.426
  325    HD3  LYS  38           HD3      LYS  38  -8.494  -8.382 -17.652
  326    HE2  LYS  38           HE2      LYS  38  -9.203  -8.757 -19.904
  327    HE3  LYS  38           HE3      LYS  38 -10.544  -9.166 -18.836
  328    HZ1  LYS  38           HZ1      LYS  38 -11.814  -7.644 -19.800
  329    HZ2  LYS  38           HZ2      LYS  38 -10.614  -7.447 -20.975
  330    HZ3  LYS  38           HZ3      LYS  38 -10.645  -6.434 -19.620
  331    H    TRP  39           H        TRP  39  -9.884  -4.246 -13.652
  332    HA   TRP  39           HA       TRP  39 -12.557  -3.639 -14.417
  333    HB2  TRP  39           HB2      TRP  39 -11.832  -4.092 -12.071
  334    HB3  TRP  39           HB3      TRP  39 -10.993  -2.543 -12.071
  335    HD1  TRP  39           HD1      TRP  39 -14.439  -4.073 -11.722
  336    HE1  TRP  39           HE1      TRP  39 -16.122  -2.233 -11.087
  337    HE3  TRP  39           HE3      TRP  39 -11.460   0.024 -12.412
  338    HZ2  TRP  39           HZ2      TRP  39 -16.180   0.584 -10.904
  339    HZ3  TRP  39           HZ3      TRP  39 -12.406   2.255 -11.986
  340    HH2  TRP  39           HH2      TRP  39 -14.717   2.527 -11.248
  341    H    LEU  40           H        LEU  40  -9.633  -1.676 -13.983
  342    HA   LEU  40           HA       LEU  40 -11.034   0.650 -15.071
  343    HB2  LEU  40           HB2      LEU  40  -9.611   0.767 -12.983
  344    HB3  LEU  40           HB3      LEU  40  -8.213   0.534 -14.031
  345    HG   LEU  40           HG       LEU  40  -8.639   2.630 -15.143
  346   HD11  LEU  40          HD11      LEU  40 -11.050   2.636 -15.144
  347   HD12  LEU  40          HD12      LEU  40 -10.460   4.113 -14.384
  348   HD13  LEU  40          HD13      LEU  40 -11.084   2.799 -13.388
  349   HD21  LEU  40          HD21      LEU  40  -7.484   2.490 -12.849
  350   HD22  LEU  40          HD22      LEU  40  -8.958   3.229 -12.223
  351   HD23  LEU  40          HD23      LEU  40  -7.992   4.074 -13.434
  352    H    LYS  41           H        LYS  41 -10.398  -1.590 -16.775
  353    HA   LYS  41           HA       LYS  41  -8.188  -0.646 -18.428
  354    HB2  LYS  41           HB2      LYS  41  -8.229  -3.013 -18.094
  355    HB3  LYS  41           HB3      LYS  41  -9.928  -3.109 -18.537
  356    HG2  LYS  41           HG2      LYS  41  -9.484  -2.827 -20.800
  357    HG3  LYS  41           HG3      LYS  41  -7.886  -2.141 -20.498
  358    HD2  LYS  41           HD2      LYS  41  -8.633  -4.994 -19.873
  359    HD3  LYS  41           HD3      LYS  41  -7.874  -4.485 -21.383
  360    HE2  LYS  41           HE2      LYS  41  -6.044  -3.469 -19.952
  361    HE3  LYS  41           HE3      LYS  41  -6.753  -4.342 -18.594
  362    HZ1  LYS  41           HZ1      LYS  41  -4.912  -5.311 -20.380
  363    HZ2  LYS  41           HZ2      LYS  41  -6.364  -6.044 -20.845
  364    HZ3  LYS  41           HZ3      LYS  41  -5.799  -6.217 -19.260
  365    H    ARG  42           H        ARG  42 -11.648  -0.648 -18.335
  366    HA   ARG  42           HA       ARG  42 -11.783   0.320 -21.104
  367    HB2  ARG  42           HB2      ARG  42 -13.272  -1.589 -20.206
  368    HB3  ARG  42           HB3      ARG  42 -14.157  -0.318 -19.373
  369    HG2  ARG  42           HG2      ARG  42 -14.564   0.778 -21.546
  370    HG3  ARG  42           HG3      ARG  42 -13.758  -0.573 -22.345
  371    HD2  ARG  42           HD2      ARG  42 -16.176  -0.845 -20.566
  372    HD3  ARG  42           HD3      ARG  42 -16.245  -0.732 -22.324
  373    HE   ARG  42           HE       ARG  42 -14.568  -2.799 -21.941
  374   HH11  ARG  42          HH11      ARG  42 -17.710  -2.049 -20.644
  375   HH12  ARG  42          HH12      ARG  42 -18.176  -3.708 -20.464
  376   HH21  ARG  42          HH21      ARG  42 -15.169  -4.987 -21.709
  377   HH22  ARG  42          HH22      ARG  42 -16.729  -5.379 -21.069
  378    H    HIS  43           H        HIS  43 -13.288   1.058 -17.952
  379    HA   HIS  43           HA       HIS  43 -12.985   3.913 -18.555
  380    HB2  HIS  43           HB2      HIS  43 -15.359   2.902 -19.004
  381    HB3  HIS  43           HB3      HIS  43 -15.505   2.948 -17.250
  382    HD1  HIS  43           HD1      HIS  43 -15.750   5.046 -20.241
  383    HD2  HIS  43           HD2      HIS  43 -15.319   5.621 -16.149
  384    HE1  HIS  43           HE1      HIS  43 -16.328   7.460 -19.837
  Start of MODEL   14
    1    HCN  FME   1           HF       FME   1  -2.620  -2.022   0.513
    2    HA   FME   1           HA       FME   1   1.025  -0.069  -0.397
    3    HB2  FME   1           HB2      FME   1   1.963  -1.083   1.870
    4    HB3  FME   1           HB3      FME   1   0.212  -1.239   2.249
    5    HG2  FME   1           HG2      FME   1  -0.166   1.158   2.034
    6    HG3  FME   1           HG3      FME   1   1.455   1.435   1.302
    7    HE1  FME   1           HE8      FME   1  -0.496   2.168   3.938
    8    HE2  FME   1           HE2      FME   1   0.341   1.977   5.532
    9    HE3  FME   1           HE3      FME   1  -0.525   0.567   4.781
   10    H    GLY   2           H        GLY   2   1.064  -1.351  -2.299
   11    HA2  GLY   2           HA2      GLY   2   3.188  -2.730  -2.791
   12    HA3  GLY   2           HA3      GLY   2   2.345  -3.966  -1.869
   13    H    ALA   3           H        ALA   3  -0.278  -3.324  -2.891
   14    HA   ALA   3           HA       ALA   3  -0.060  -4.720  -5.434
   15    HB1  ALA   3           HB1      ALA   3  -2.655  -3.946  -4.164
   16    HB2  ALA   3           HB2      ALA   3  -2.274  -5.345  -5.168
   17    HB3  ALA   3           HB3      ALA   3  -1.696  -5.271  -3.504
   18    H    ILE   4           H        ILE   4  -0.813  -1.566  -4.205
   19    HA   ILE   4           HA       ILE   4  -2.241  -0.575  -6.438
   20    HB   ILE   4           HB       ILE   4  -0.577   0.945  -4.427
   21   HG12  ILE   4          HG12      ILE   4  -2.404  -0.396  -3.429
   22   HG13  ILE   4          HG13      ILE   4  -2.680   1.335  -3.262
   23   HG21  ILE   4          HG21      ILE   4  -2.080   1.778  -6.772
   24   HG22  ILE   4          HG22      ILE   4  -2.604   2.593  -5.299
   25   HG23  ILE   4          HG23      ILE   4  -0.914   2.673  -5.798
   26   HD11  ILE   4          HD11      ILE   4  -3.882   0.427  -5.682
   27   HD12  ILE   4          HD12      ILE   4  -4.399  -0.602  -4.345
   28   HD13  ILE   4          HD13      ILE   4  -4.639   1.143  -4.259
   29    H    ALA   5           H        ALA   5   1.133  -1.055  -5.801
   30    HA   ALA   5           HA       ALA   5   2.167   0.747  -7.734
   31    HB1  ALA   5           HB1      ALA   5   3.817  -1.601  -7.248
   32    HB2  ALA   5           HB2      ALA   5   4.152   0.104  -6.942
   33    HB3  ALA   5           HB3      ALA   5   3.244  -0.842  -5.763
   34    H    LYS   6           H        LYS   6   0.833  -2.447  -7.910
   35    HA   LYS   6           HA       LYS   6   1.944  -3.060 -10.495
   36    HB2  LYS   6           HB2      LYS   6  -0.308  -4.389  -8.976
   37    HB3  LYS   6           HB3      LYS   6   0.481  -5.033 -10.410
   38    HG2  LYS   6           HG2      LYS   6   2.181  -4.374  -8.069
   39    HG3  LYS   6           HG3      LYS   6   1.151  -5.805  -7.977
   40    HD2  LYS   6           HD2      LYS   6   2.854  -5.361 -10.392
   41    HD3  LYS   6           HD3      LYS   6   3.582  -5.995  -8.914
   42    HE2  LYS   6           HE2      LYS   6   1.562  -7.657  -8.993
   43    HE3  LYS   6           HE3      LYS   6   1.524  -7.218 -10.700
   44    HZ1  LYS   6           HZ1      LYS   6   3.806  -8.408  -9.221
   45    HZ2  LYS   6           HZ2      LYS   6   3.896  -7.853 -10.816
   46    HZ3  LYS   6           HZ3      LYS   6   2.879  -9.148 -10.428
   47    H    LEU   7           H        LEU   7  -0.902  -1.512  -9.261
   48    HA   LEU   7           HA       LEU   7  -2.273  -1.640 -11.825
   49    HB2  LEU   7           HB2      LEU   7  -3.199  -0.035  -9.477
   50    HB3  LEU   7           HB3      LEU   7  -4.153  -0.801 -10.746
   51    HG   LEU   7           HG       LEU   7  -2.668  -2.345  -8.626
   52   HD11  LEU   7          HD11      LEU   7  -5.304  -2.599  -8.015
   53   HD12  LEU   7          HD12      LEU   7  -5.219  -0.908  -8.508
   54   HD13  LEU   7          HD13      LEU   7  -4.184  -1.500  -7.209
   55   HD21  LEU   7          HD21      LEU   7  -4.699  -3.905  -9.416
   56   HD22  LEU   7          HD22      LEU   7  -3.107  -3.933 -10.175
   57   HD23  LEU   7          HD23      LEU   7  -4.419  -3.010 -10.910
   58    H    VAL   8           H        VAL   8  -0.805   0.774  -9.687
   59    HA   VAL   8           HA       VAL   8  -1.387   3.020 -11.304
   60    HB   VAL   8           HB       VAL   8   0.837   2.643  -9.294
   61   HG11  VAL   8          HG11      VAL   8   1.595   4.608 -10.008
   62   HG12  VAL   8          HG12      VAL   8   0.218   4.814 -11.091
   63   HG13  VAL   8          HG13      VAL   8   0.102   5.328  -9.408
   64   HG21  VAL   8          HG21      VAL   8  -0.590   3.418  -7.649
   65   HG22  VAL   8          HG22      VAL   8  -1.688   4.170  -8.807
   66   HG23  VAL   8          HG23      VAL   8  -1.666   2.416  -8.622
   67    H    ALA   9           H        ALA   9   1.175   0.651 -11.340
   68    HA   ALA   9           HA       ALA   9   3.147   1.938 -12.780
   69    HB1  ALA   9           HB1      ALA   9   2.329  -0.862 -12.388
   70    HB2  ALA   9           HB2      ALA   9   3.315  -0.550 -13.817
   71    HB3  ALA   9           HB3      ALA   9   3.913  -0.104 -12.219
   72    H    LYS  10           H        LYS  10   0.059   0.748 -13.862
   73    HA   LYS  10           HA       LYS  10   0.763   1.398 -16.644
   74    HB2  LYS  10           HB2      LYS  10  -1.639  -0.151 -15.664
   75    HB3  LYS  10           HB3      LYS  10  -1.096   0.022 -17.328
   76    HG2  LYS  10           HG2      LYS  10   0.566  -1.297 -15.201
   77    HG3  LYS  10           HG3      LYS  10  -0.584  -2.176 -16.211
   78    HD2  LYS  10           HD2      LYS  10   1.476  -0.426 -17.487
   79    HD3  LYS  10           HD3      LYS  10   1.929  -2.030 -16.907
   80    HE2  LYS  10           HE2      LYS  10   1.325  -2.535 -19.055
   81    HE3  LYS  10           HE3      LYS  10  -0.224  -2.750 -18.241
   82    HZ1  LYS  10           HZ1      LYS  10   0.480  -0.128 -19.376
   83    HZ2  LYS  10           HZ2      LYS  10  -1.048  -0.799 -19.103
   84    HZ3  LYS  10           HZ3      LYS  10  -0.100  -1.351 -20.391
   85    H    PHE  11           H        PHE  11  -1.625   1.964 -14.106
   86    HA   PHE  11           HA       PHE  11  -3.205   3.755 -15.688
   87    HB2  PHE  11           HB2      PHE  11  -3.146   3.293 -12.699
   88    HB3  PHE  11           HB3      PHE  11  -4.356   4.248 -13.549
   89    HD1  PHE  11           HD2      PHE  11  -4.840   2.565 -15.921
   90    HD2  PHE  11           HD1      PHE  11  -4.340   1.505 -11.829
   91    HE1  PHE  11           HE2      PHE  11  -6.184   0.536 -16.285
   92    HE2  PHE  11           HE1      PHE  11  -5.682  -0.526 -12.187
   93    HZ   PHE  11           HZ       PHE  11  -6.607  -1.012 -14.417
   94    H    GLY  12           H        GLY  12  -1.541   4.451 -12.615
   95    HA2  GLY  12           HA2      GLY  12   0.297   6.149 -12.733
   96    HA3  GLY  12           HA3      GLY  12  -0.795   7.074 -13.754
   97    H    TRP  13           H        TRP  13   0.126   8.434 -11.714
   98    HA   TRP  13           HA       TRP  13  -1.292   8.143  -9.275
   99    HB2  TRP  13           HB2      TRP  13  -0.253  10.807 -10.143
  100    HB3  TRP  13           HB3      TRP  13  -0.169  10.031  -8.564
  101    HD1  TRP  13           HD1      TRP  13   2.020  10.966 -11.282
  102    HE1  TRP  13           HE1      TRP  13   4.203   9.603 -11.264
  103    HE3  TRP  13           HE3      TRP  13   0.616   7.228  -8.091
  104    HZ2  TRP  13           HZ2      TRP  13   5.198   7.254 -10.057
  105    HZ3  TRP  13           HZ3      TRP  13   2.242   5.460  -7.556
  106    HH2  TRP  13           HH2      TRP  13   4.485   5.474  -8.520
  107    HA   PRO  14           HA       PRO  14  -4.059  11.713 -11.035
  108    HB2  PRO  14           HB2      PRO  14  -3.939  12.130 -13.715
  109    HB3  PRO  14           HB3      PRO  14  -2.895  12.972 -12.564
  110    HG2  PRO  14           HG2      PRO  14  -2.296  10.586 -14.269
  111    HG3  PRO  14           HG3      PRO  14  -1.286  12.006 -13.938
  112    HD2  PRO  14           HD2      PRO  14  -0.929   9.638 -12.675
  113    HD3  PRO  14           HD3      PRO  14  -0.599  11.196 -11.892
  114    H    PHE  15           H        PHE  15  -3.555   8.621 -12.319
  115    HA   PHE  15           HA       PHE  15  -6.283   8.484 -13.404
  116    HB2  PHE  15           HB2      PHE  15  -4.092   7.683 -14.657
  117    HB3  PHE  15           HB3      PHE  15  -4.342   6.232 -13.693
  118    HD1  PHE  15           HD2      PHE  15  -6.487   4.970 -13.922
  119    HD2  PHE  15           HD1      PHE  15  -5.401   8.131 -16.557
  120    HE1  PHE  15           HE2      PHE  15  -8.137   4.166 -15.560
  121    HE2  PHE  15           HE1      PHE  15  -7.050   7.332 -18.200
  122    HZ   PHE  15           HZ       PHE  15  -8.420   5.347 -17.703
  123    H    ILE  16           H        ILE  16  -4.181   7.279 -10.914
  124    HA   ILE  16           HA       ILE  16  -6.056   5.225 -10.080
  125    HB   ILE  16           HB       ILE  16  -3.557   4.927  -9.943
  126   HG12  ILE  16          HG12      ILE  16  -3.902   4.271  -7.299
  127   HG13  ILE  16          HG13      ILE  16  -5.564   4.369  -7.872
  128   HG21  ILE  16          HG21      ILE  16  -3.107   7.220  -9.089
  129   HG22  ILE  16          HG22      ILE  16  -3.795   6.730  -7.542
  130   HG23  ILE  16          HG23      ILE  16  -2.337   5.944  -8.147
  131   HD11  ILE  16          HD11      ILE  16  -5.255   2.650  -9.412
  132   HD12  ILE  16          HD12      ILE  16  -3.497   2.778  -9.341
  133   HD13  ILE  16          HD13      ILE  16  -4.389   2.110  -7.974
  134    H    LYS  17           H        LYS  17  -5.146   8.473  -9.223
  135    HA   LYS  17           HA       LYS  17  -6.396   8.472  -6.648
  136    HB2  LYS  17           HB2      LYS  17  -5.918  10.807  -6.589
  137    HB3  LYS  17           HB3      LYS  17  -4.548  10.025  -7.367
  138    HG2  LYS  17           HG2      LYS  17  -5.398  10.695  -9.553
  139    HG3  LYS  17           HG3      LYS  17  -6.783  11.469  -8.779
  140    HD2  LYS  17           HD2      LYS  17  -4.734  12.626  -7.435
  141    HD3  LYS  17           HD3      LYS  17  -3.991  12.373  -9.016
  142    HE2  LYS  17           HE2      LYS  17  -6.644  13.734  -8.570
  143    HE3  LYS  17           HE3      LYS  17  -5.110  14.581  -8.766
  144    HZ1  LYS  17           HZ1      LYS  17  -6.470  14.384 -10.826
  145    HZ2  LYS  17           HZ2      LYS  17  -6.213  12.713 -10.788
  146    HZ3  LYS  17           HZ3      LYS  17  -4.902  13.766 -10.968
  147    H    LYS  18           H        LYS  18  -7.512   8.755  -9.863
  148    HA   LYS  18           HA       LYS  18  -9.847  10.321  -9.326
  149    HB2  LYS  18           HB2      LYS  18  -8.826   8.729 -11.639
  150    HB3  LYS  18           HB3      LYS  18 -10.528   9.172 -11.608
  151    HG2  LYS  18           HG2      LYS  18  -8.367  11.215 -11.237
  152    HG3  LYS  18           HG3      LYS  18  -8.915  10.716 -12.839
  153    HD2  LYS  18           HD2      LYS  18 -11.073  11.555 -12.486
  154    HD3  LYS  18           HD3      LYS  18 -10.854  11.627 -10.736
  155    HE2  LYS  18           HE2      LYS  18  -9.400  13.494 -10.910
  156    HE3  LYS  18           HE3      LYS  18  -9.259  13.307 -12.657
  157    HZ1  LYS  18           HZ1      LYS  18 -11.430  14.074 -12.979
  158    HZ2  LYS  18           HZ2      LYS  18 -10.786  15.121 -11.818
  159    HZ3  LYS  18           HZ3      LYS  18 -11.848  13.891 -11.350
  160    H    PHE  19           H        PHE  19  -9.023   6.956  -9.138
  161    HA   PHE  19           HA       PHE  19 -11.775   6.375  -8.277
  162    HB2  PHE  19           HB2      PHE  19 -10.032   4.807 -10.159
  163    HB3  PHE  19           HB3      PHE  19 -11.304   4.016  -9.234
  164    HD1  PHE  19           HD2      PHE  19 -10.732   6.852 -11.571
  165    HD2  PHE  19           HD1      PHE  19 -13.460   3.954 -10.065
  166    HE1  PHE  19           HE2      PHE  19 -12.376   7.520 -13.275
  167    HE2  PHE  19           HE1      PHE  19 -15.109   4.617 -11.766
  168    HZ   PHE  19           HZ       PHE  19 -14.569   6.403 -13.373
  169    H    TYR  20           H        TYR  20  -9.249   7.017  -6.839
  170    HA   TYR  20           HA       TYR  20  -8.096   4.757  -5.677
  171    HB2  TYR  20           HB2      TYR  20  -7.585   7.370  -5.485
  172    HB3  TYR  20           HB3      TYR  20  -8.484   7.176  -3.984
  173    HD1  TYR  20           HD1      TYR  20  -5.939   5.095  -5.774
  174    HD2  TYR  20           HD2      TYR  20  -7.066   7.064  -2.174
  175    HE1  TYR  20           HE1      TYR  20  -3.910   4.240  -4.678
  176    HE2  TYR  20           HE2      TYR  20  -5.039   6.215  -1.069
  177    HH   TYR  20           HH       TYR  20  -2.671   4.244  -2.835
  178    H    LYS  21           H        LYS  21 -11.171   6.242  -5.150
  179    HA   LYS  21           HA       LYS  21 -11.711   5.265  -2.557
  180    HB2  LYS  21           HB2      LYS  21 -13.568   6.006  -4.823
  181    HB3  LYS  21           HB3      LYS  21 -14.111   5.628  -3.193
  182    HG2  LYS  21           HG2      LYS  21 -12.730   7.507  -2.351
  183    HG3  LYS  21           HG3      LYS  21 -12.345   7.920  -4.024
  184    HD2  LYS  21           HD2      LYS  21 -14.772   8.178  -4.466
  185    HD3  LYS  21           HD3      LYS  21 -15.082   7.888  -2.753
  186    HE2  LYS  21           HE2      LYS  21 -13.911   9.867  -2.129
  187    HE3  LYS  21           HE3      LYS  21 -13.293  10.089  -3.765
  188    HZ1  LYS  21           HZ1      LYS  21 -15.078  11.279  -4.245
  189    HZ2  LYS  21           HZ2      LYS  21 -15.660  11.085  -2.669
  190    HZ3  LYS  21           HZ3      LYS  21 -16.092   9.977  -3.873
  191    H    GLN  22           H        GLN  22 -12.253   3.919  -5.779
  192    HA   GLN  22           HA       GLN  22 -13.504   1.540  -4.696
  193    HB2  GLN  22           HB2      GLN  22 -12.647   2.003  -7.550
  194    HB3  GLN  22           HB3      GLN  22 -13.859   0.874  -6.957
  195    HG2  GLN  22           HG2      GLN  22 -14.031   3.849  -7.217
  196    HG3  GLN  22           HG3      GLN  22 -15.091   2.611  -7.889
  197   HE21  GLN  22          HE21      GLN  22 -15.525   5.004  -6.118
  198   HE22  GLN  22          HE22      GLN  22 -16.433   4.390  -4.782
  199    H    ILE  23           H        ILE  23 -10.496   2.383  -6.381
  200    HA   ILE  23           HA       ILE  23  -9.356  -0.118  -6.612
  201    HB   ILE  23           HB       ILE  23  -7.938   2.470  -5.966
  202   HG12  ILE  23          HG12      ILE  23  -7.930   1.331  -8.699
  203   HG13  ILE  23          HG13      ILE  23  -9.469   1.979  -8.144
  204   HG21  ILE  23          HG21      ILE  23  -6.397   0.751  -5.528
  205   HG22  ILE  23          HG22      ILE  23  -6.934  -0.197  -6.914
  206   HG23  ILE  23          HG23      ILE  23  -6.027   1.294  -7.165
  207   HD11  ILE  23          HD11      ILE  23  -7.078   3.357  -9.007
  208   HD12  ILE  23          HD12      ILE  23  -8.730   3.950  -8.835
  209   HD13  ILE  23          HD13      ILE  23  -7.652   3.928  -7.440
  210    H    MET  24           H        MET  24  -8.618   2.183  -3.982
  211    HA   MET  24           HA       MET  24  -7.237   0.391  -2.363
  212    HB2  MET  24           HB2      MET  24  -8.764   2.911  -1.768
  213    HB3  MET  24           HB3      MET  24  -7.997   1.992  -0.480
  214    HG2  MET  24           HG2      MET  24  -6.507   2.968  -2.896
  215    HG3  MET  24           HG3      MET  24  -6.680   3.918  -1.423
  216    HE1  MET  24           HE1      MET  24  -6.038   3.440   0.653
  217    HE2  MET  24           HE2      MET  24  -5.474   1.881   1.255
  218    HE3  MET  24           HE3      MET  24  -4.309   3.127   0.807
  219    H    GLN  25           H        GLN  25 -10.633   0.758  -2.893
  220    HA   GLN  25           HA       GLN  25 -11.438  -0.639  -0.508
  221    HB2  GLN  25           HB2      GLN  25 -12.786   0.600  -2.833
  222    HB3  GLN  25           HB3      GLN  25 -13.633  -0.744  -2.078
  223    HG2  GLN  25           HG2      GLN  25 -12.639   1.678  -0.597
  224    HG3  GLN  25           HG3      GLN  25 -14.280   1.487  -1.213
  225   HE21  GLN  25          HE21      GLN  25 -14.621   1.881   1.169
  226   HE22  GLN  25          HE22      GLN  25 -14.701   0.485   2.183
  227    H    PHE  26           H        PHE  26 -10.537  -1.475  -3.736
  228    HA   PHE  26           HA       PHE  26 -11.772  -4.074  -3.710
  229    HB2  PHE  26           HB2      PHE  26  -9.752  -2.794  -5.557
  230    HB3  PHE  26           HB3      PHE  26 -10.384  -4.421  -5.789
  231    HD1  PHE  26           HD1      PHE  26 -13.207  -4.103  -5.134
  232    HD2  PHE  26           HD2      PHE  26 -10.595  -1.530  -7.296
  233    HE1  PHE  26           HE1      PHE  26 -15.133  -3.181  -6.357
  234    HE2  PHE  26           HE2      PHE  26 -12.517  -0.603  -8.521
  235    HZ   PHE  26           HZ       PHE  26 -14.790  -1.428  -8.052
  236    H    ILE  27           H        ILE  27  -8.594  -2.736  -3.041
  237    HA   ILE  27           HA       ILE  27  -7.145  -5.139  -2.934
  238    HB   ILE  27           HB       ILE  27  -6.665  -2.598  -1.373
  239   HG12  ILE  27          HG12      ILE  27  -6.707  -2.181  -3.770
  240   HG13  ILE  27          HG13      ILE  27  -5.050  -2.092  -3.183
  241   HG21  ILE  27          HG21      ILE  27  -5.236  -5.150  -1.529
  242   HG22  ILE  27          HG22      ILE  27  -4.226  -3.731  -1.797
  243   HG23  ILE  27          HG23      ILE  27  -5.162  -3.879  -0.310
  244   HD11  ILE  27          HD11      ILE  27  -6.191  -3.786  -5.201
  245   HD12  ILE  27          HD12      ILE  27  -4.498  -3.498  -4.796
  246   HD13  ILE  27          HD13      ILE  27  -5.409  -4.745  -3.945
  247    H    GLY  28           H        GLY  28  -8.725  -3.284  -0.332
  248    HA2  GLY  28           HA2      GLY  28  -8.084  -5.132   1.722
  249    HA3  GLY  28           HA3      GLY  28  -9.320  -3.885   1.805
  250    H    GLN  29           H        GLN  29 -10.486  -5.161  -0.734
  251    HA   GLN  29           HA       GLN  29 -12.329  -6.866   0.666
  252    HB2  GLN  29           HB2      GLN  29 -13.245  -5.431  -1.010
  253    HB3  GLN  29           HB3      GLN  29 -12.106  -6.010  -2.218
  254    HG2  GLN  29           HG2      GLN  29 -14.281  -6.945  -2.632
  255    HG3  GLN  29           HG3      GLN  29 -13.170  -8.220  -2.137
  256   HE21  GLN  29          HE21      GLN  29 -14.995  -9.491  -1.588
  257   HE22  GLN  29          HE22      GLN  29 -15.846  -9.226  -0.109
  258    H    GLY  30           H        GLY  30  -9.561  -7.283  -1.398
  259    HA2  GLY  30           HA2      GLY  30  -8.368  -9.404  -1.190
  260    HA3  GLY  30           HA3      GLY  30  -9.932 -10.206  -1.191
  261    H    TRP  31           H        TRP  31  -9.517  -7.580  -3.370
  262    HA   TRP  31           HA       TRP  31  -9.893  -9.321  -5.623
  263    HB2  TRP  31           HB2      TRP  31  -9.688  -6.355  -5.242
  264    HB3  TRP  31           HB3      TRP  31  -9.559  -7.036  -6.861
  265    HD1  TRP  31           HD1      TRP  31 -11.958  -8.666  -4.398
  266    HE1  TRP  31           HE1      TRP  31 -14.373  -8.222  -5.167
  267    HE3  TRP  31           HE3      TRP  31 -11.015  -5.312  -8.141
  268    HZ2  TRP  31           HZ2      TRP  31 -15.704  -6.659  -7.105
  269    HZ3  TRP  31           HZ3      TRP  31 -12.915  -4.391  -9.404
  270    HH2  TRP  31           HH2      TRP  31 -15.210  -5.051  -8.895
  271    H    THR  32           H        THR  32  -8.430 -10.012  -7.078
  272    HA   THR  32           HA       THR  32  -5.669  -9.909  -6.446
  273    HB   THR  32           HB       THR  32  -5.491 -10.866  -8.881
  274    HG1  THR  32           HG1      THR  32  -8.202 -11.504  -8.415
  275   HG21  THR  32          HG21      THR  32  -6.303 -12.031  -6.337
  276   HG22  THR  32          HG22      THR  32  -5.118 -12.600  -7.513
  277   HG23  THR  32          HG23      THR  32  -6.825 -12.989  -7.722
  278    H    ILE  33           H        ILE  33  -4.046  -9.350  -8.272
  279    HA   ILE  33           HA       ILE  33  -4.158  -6.554  -8.683
  280    HB   ILE  33           HB       ILE  33  -2.332  -8.557 -10.016
  281   HG12  ILE  33          HG12      ILE  33  -0.844  -7.338  -8.089
  282   HG13  ILE  33          HG13      ILE  33  -2.418  -7.396  -7.302
  283   HG21  ILE  33          HG21      ILE  33  -2.327  -6.432 -11.166
  284   HG22  ILE  33          HG22      ILE  33  -2.093  -5.575  -9.644
  285   HG23  ILE  33          HG23      ILE  33  -0.820  -6.622 -10.271
  286   HD11  ILE  33          HD11      ILE  33  -2.378  -9.644  -7.093
  287   HD12  ILE  33          HD12      ILE  33  -1.478  -9.881  -8.592
  288   HD13  ILE  33          HD13      ILE  33  -0.638  -9.361  -7.131
  289    H    ASP  34           H        ASP  34  -5.184  -9.261 -10.576
  290    HA   ASP  34           HA       ASP  34  -5.334  -7.778 -13.052
  291    HB2  ASP  34           HB2      ASP  34  -6.258  -9.806 -14.002
  292    HB3  ASP  34           HB3      ASP  34  -4.863 -10.219 -13.008
  293    H    GLN  35           H        GLN  35  -7.412  -8.559 -10.381
  294    HA   GLN  35           HA       GLN  35  -9.924  -8.226 -11.522
  295    HB2  GLN  35           HB2      GLN  35  -8.832  -7.797  -8.768
  296    HB3  GLN  35           HB3      GLN  35 -10.483  -7.311  -9.129
  297    HG2  GLN  35           HG2      GLN  35  -9.540 -10.066  -9.794
  298    HG3  GLN  35           HG3      GLN  35 -10.029  -9.657  -8.151
  299   HE21  GLN  35          HE21      GLN  35 -11.303 -11.564  -9.776
  300   HE22  GLN  35          HE22      GLN  35 -12.910 -11.014 -10.093
  301    H    ILE  36           H        ILE  36  -7.693  -5.803 -10.228
  302    HA   ILE  36           HA       ILE  36  -9.495  -3.623 -10.777
  303    HB   ILE  36           HB       ILE  36  -6.570  -3.566 -10.025
  304   HG12  ILE  36          HG12      ILE  36  -7.772  -2.727  -7.816
  305   HG13  ILE  36          HG13      ILE  36  -9.109  -3.678  -8.454
  306   HG21  ILE  36          HG21      ILE  36  -6.798  -1.448 -10.779
  307   HG22  ILE  36          HG22      ILE  36  -8.553  -1.463 -10.615
  308   HG23  ILE  36          HG23      ILE  36  -7.538  -1.204  -9.197
  309   HD11  ILE  36          HD11      ILE  36  -8.007  -5.660  -8.176
  310   HD12  ILE  36          HD12      ILE  36  -6.411  -4.918  -8.297
  311   HD13  ILE  36          HD13      ILE  36  -7.362  -4.731  -6.824
  312    H    GLU  37           H        GLU  37  -6.429  -4.799 -12.142
  313    HA   GLU  37           HA       GLU  37  -6.029  -2.894 -14.097
  314    HB2  GLU  37           HB2      GLU  37  -5.359  -5.808 -13.920
  315    HB3  GLU  37           HB3      GLU  37  -5.029  -4.930 -15.407
  316    HG2  GLU  37           HG2      GLU  37  -4.059  -3.899 -12.774
  317    HG3  GLU  37           HG3      GLU  37  -3.170  -5.147 -13.645
  318    H    LYS  38           H        LYS  38  -8.325  -5.514 -14.016
  319    HA   LYS  38           HA       LYS  38  -9.070  -5.114 -16.806
  320    HB2  LYS  38           HB2      LYS  38  -8.920  -7.404 -15.774
  321    HB3  LYS  38           HB3      LYS  38 -10.312  -6.985 -14.785
  322    HG2  LYS  38           HG2      LYS  38 -11.139  -8.231 -16.603
  323    HG3  LYS  38           HG3      LYS  38 -11.559  -6.548 -16.931
  324    HD2  LYS  38           HD2      LYS  38  -9.896  -6.337 -18.570
  325    HD3  LYS  38           HD3      LYS  38  -9.048  -7.784 -18.021
  326    HE2  LYS  38           HE2      LYS  38 -10.215  -8.240 -20.094
  327    HE3  LYS  38           HE3      LYS  38 -10.944  -9.156 -18.777
  328    HZ1  LYS  38           HZ1      LYS  38 -12.099  -6.543 -19.317
  329    HZ2  LYS  38           HZ2      LYS  38 -12.857  -8.000 -18.911
  330    HZ3  LYS  38           HZ3      LYS  38 -12.354  -7.724 -20.502
  331    H    TRP  39           H        TRP  39 -10.294  -4.529 -13.568
  332    HA   TRP  39           HA       TRP  39 -12.923  -3.805 -14.256
  333    HB2  TRP  39           HB2      TRP  39 -12.179  -4.298 -11.945
  334    HB3  TRP  39           HB3      TRP  39 -11.257  -2.797 -11.940
  335    HD1  TRP  39           HD1      TRP  39 -14.820  -4.127 -11.677
  336    HE1  TRP  39           HE1      TRP  39 -16.363  -2.221 -10.897
  337    HE3  TRP  39           HE3      TRP  39 -11.525  -0.231 -11.999
  338    HZ2  TRP  39           HZ2      TRP  39 -16.205   0.565 -10.474
  339    HZ3  TRP  39           HZ3      TRP  39 -12.301   2.023 -11.389
  340    HH2  TRP  39           HH2      TRP  39 -14.593   2.411 -10.643
  341    H    LEU  40           H        LEU  40  -9.921  -1.972 -14.152
  342    HA   LEU  40           HA       LEU  40 -11.369   0.397 -15.125
  343    HB2  LEU  40           HB2      LEU  40  -9.980   0.541 -13.014
  344    HB3  LEU  40           HB3      LEU  40  -8.564   0.325 -14.042
  345    HG   LEU  40           HG       LEU  40  -9.011   2.409 -15.173
  346   HD11  LEU  40          HD11      LEU  40 -11.421   2.383 -15.191
  347   HD12  LEU  40          HD12      LEU  40 -10.857   3.871 -14.431
  348   HD13  LEU  40          HD13      LEU  40 -11.471   2.550 -13.436
  349   HD21  LEU  40          HD21      LEU  40  -7.921   2.255 -12.811
  350   HD22  LEU  40          HD22      LEU  40  -9.382   3.094 -12.289
  351   HD23  LEU  40          HD23      LEU  40  -8.324   3.830 -13.493
  352    H    LYS  41           H        LYS  41 -10.698  -1.834 -16.813
  353    HA   LYS  41           HA       LYS  41  -8.497  -0.822 -18.456
  354    HB2  LYS  41           HB2      LYS  41  -9.073  -3.354 -17.757
  355    HB3  LYS  41           HB3      LYS  41  -9.987  -3.260 -19.256
  356    HG2  LYS  41           HG2      LYS  41  -7.852  -2.415 -20.334
  357    HG3  LYS  41           HG3      LYS  41  -7.032  -2.919 -18.855
  358    HD2  LYS  41           HD2      LYS  41  -7.861  -5.203 -19.180
  359    HD3  LYS  41           HD3      LYS  41  -8.674  -4.695 -20.662
  360    HE2  LYS  41           HE2      LYS  41  -6.629  -4.291 -21.763
  361    HE3  LYS  41           HE3      LYS  41  -5.716  -4.353 -20.257
  362    HZ1  LYS  41           HZ1      LYS  41  -7.079  -6.784 -20.596
  363    HZ2  LYS  41           HZ2      LYS  41  -5.411  -6.510 -20.556
  364    HZ3  LYS  41           HZ3      LYS  41  -6.244  -6.440 -22.027
  365    H    ARG  42           H        ARG  42 -11.205   0.437 -18.227
  366    HA   ARG  42           HA       ARG  42 -12.744   1.446 -19.564
  367    HB2  ARG  42           HB2      ARG  42 -10.464   0.974 -21.459
  368    HB3  ARG  42           HB3      ARG  42 -11.967   1.683 -22.036
  369    HG2  ARG  42           HG2      ARG  42 -10.864   3.592 -21.540
  370    HG3  ARG  42           HG3      ARG  42 -11.552   3.275 -19.946
  371    HD2  ARG  42           HD2      ARG  42  -9.322   3.714 -19.475
  372    HD3  ARG  42           HD3      ARG  42  -9.380   1.952 -19.520
  373    HE   ARG  42           HE       ARG  42  -8.708   3.086 -22.055
  374   HH11  ARG  42          HH11      ARG  42  -7.434   2.188 -18.942
  375   HH12  ARG  42          HH12      ARG  42  -5.817   1.966 -19.522
  376   HH21  ARG  42          HH21      ARG  42  -6.583   2.796 -22.831
  377   HH22  ARG  42          HH22      ARG  42  -5.333   2.313 -21.734
  378    H    HIS  43           H        HIS  43 -13.316  -1.181 -19.023
  379    HA   HIS  43           HA       HIS  43 -13.763  -2.911 -21.130
  380    HB2  HIS  43           HB2      HIS  43 -15.521  -3.919 -19.754
  381    HB3  HIS  43           HB3      HIS  43 -14.110  -3.525 -18.777
  382    HD1  HIS  43           HD1      HIS  43 -14.368  -1.631 -17.031
  383    HD2  HIS  43           HD2      HIS  43 -17.842  -2.487 -19.142
  384    HE1  HIS  43           HE1      HIS  43 -16.217  -0.474 -15.780
  Start of MODEL   15
    1    HCN  FME   1           HF       FME   1  -4.009  -0.761  -0.194
    2    HA   FME   1           HA       FME   1  -0.451  -0.512   0.086
    3    HB2  FME   1           HB2      FME   1   0.638  -1.378   2.354
    4    HB3  FME   1           HB3      FME   1  -1.085  -1.658   2.788
    5    HG2  FME   1           HG2      FME   1  -1.642   0.728   2.374
    6    HG3  FME   1           HG3      FME   1   0.031   1.065   1.801
    7    HE1  FME   1           HE8      FME   1  -1.903   2.182   3.832
    8    HE2  FME   1           HE2      FME   1  -0.492   3.055   4.560
    9    HE3  FME   1           HE3      FME   1  -1.547   1.999   5.598
   10    H    GLY   2           H        GLY   2   0.193  -1.488  -1.662
   11    HA2  GLY   2           HA2      GLY   2   2.320  -2.858  -1.981
   12    HA3  GLY   2           HA3      GLY   2   1.361  -4.175  -1.320
   13    H    ALA   3           H        ALA   3  -1.075  -3.239  -2.709
   14    HA   ALA   3           HA       ALA   3  -0.401  -4.307  -5.362
   15    HB1  ALA   3           HB1      ALA   3  -2.960  -4.308  -3.784
   16    HB2  ALA   3           HB2      ALA   3  -2.890  -4.745  -5.491
   17    HB3  ALA   3           HB3      ALA   3  -1.994  -5.689  -4.301
   18    H    ILE   4           H        ILE   4   0.108  -1.575  -4.801
   19    HA   ILE   4           HA       ILE   4  -1.997  -0.212  -6.343
   20    HB   ILE   4           HB       ILE   4   0.137   1.028  -4.602
   21   HG12  ILE   4          HG12      ILE   4  -1.517  -0.207  -3.276
   22   HG13  ILE   4          HG13      ILE   4  -1.700   1.529  -3.048
   23   HG21  ILE   4          HG21      ILE   4  -1.631   2.105  -6.602
   24   HG22  ILE   4          HG22      ILE   4  -1.965   2.815  -5.024
   25   HG23  ILE   4          HG23      ILE   4  -0.340   2.899  -5.701
   26   HD11  ILE   4          HD11      ILE   4  -3.436  -0.318  -4.653
   27   HD12  ILE   4          HD12      ILE   4  -3.870   0.636  -3.234
   28   HD13  ILE   4          HD13      ILE   4  -3.534   1.439  -4.768
   29    H    ALA   5           H        ALA   5   1.443  -0.871  -6.154
   30    HA   ALA   5           HA       ALA   5   2.240   0.840  -8.272
   31    HB1  ALA   5           HB1      ALA   5   3.938  -1.478  -7.990
   32    HB2  ALA   5           HB2      ALA   5   4.282   0.219  -7.650
   33    HB3  ALA   5           HB3      ALA   5   3.524  -0.791  -6.419
   34    H    LYS   6           H        LYS   6   1.167  -2.509  -8.124
   35    HA   LYS   6           HA       LYS   6   1.842  -3.249 -10.755
   36    HB2  LYS   6           HB2      LYS   6  -0.456  -4.287  -9.086
   37    HB3  LYS   6           HB3      LYS   6   0.297  -5.100 -10.452
   38    HG2  LYS   6           HG2      LYS   6   1.853  -4.373  -7.994
   39    HG3  LYS   6           HG3      LYS   6   0.936  -5.877  -8.114
   40    HD2  LYS   6           HD2      LYS   6   3.022  -5.027 -10.116
   41    HD3  LYS   6           HD3      LYS   6   3.364  -6.059  -8.726
   42    HE2  LYS   6           HE2      LYS   6   1.365  -7.465  -9.671
   43    HE3  LYS   6           HE3      LYS   6   1.757  -6.633 -11.175
   44    HZ1  LYS   6           HZ1      LYS   6   2.910  -8.752 -10.991
   45    HZ2  LYS   6           HZ2      LYS   6   3.654  -8.249  -9.558
   46    HZ3  LYS   6           HZ3      LYS   6   4.013  -7.469 -11.015
   47    H    LEU   7           H        LEU   7  -0.756  -1.358  -9.466
   48    HA   LEU   7           HA       LEU   7  -2.265  -1.498 -11.961
   49    HB2  LEU   7           HB2      LEU   7  -3.014   0.228  -9.641
   50    HB3  LEU   7           HB3      LEU   7  -4.052  -0.550 -10.834
   51    HG   LEU   7           HG       LEU   7  -2.555  -2.054  -8.694
   52   HD11  LEU   7          HD11      LEU   7  -5.164  -2.186  -7.978
   53   HD12  LEU   7          HD12      LEU   7  -5.063  -0.533  -8.583
   54   HD13  LEU   7          HD13      LEU   7  -3.994  -1.063  -7.285
   55   HD21  LEU   7          HD21      LEU   7  -4.557  -3.643  -9.297
   56   HD22  LEU   7          HD22      LEU   7  -3.086  -3.630 -10.271
   57   HD23  LEU   7          HD23      LEU   7  -4.517  -2.757 -10.822
   58    H    VAL   8           H        VAL   8  -0.683   0.921  -9.894
   59    HA   VAL   8           HA       VAL   8  -1.137   3.114 -11.624
   60    HB   VAL   8           HB       VAL   8   1.048   2.771  -9.565
   61   HG11  VAL   8          HG11      VAL   8   0.340   5.444  -9.724
   62   HG12  VAL   8          HG12      VAL   8   1.804   4.705 -10.375
   63   HG13  VAL   8          HG13      VAL   8   0.386   4.911 -11.404
   64   HG21  VAL   8          HG21      VAL   8  -0.460   3.111  -7.963
   65   HG22  VAL   8          HG22      VAL   8  -1.161   4.482  -8.823
   66   HG23  VAL   8          HG23      VAL   8  -1.707   2.844  -9.181
   67    H    ALA   9           H        ALA   9   1.100   0.517 -11.708
   68    HA   ALA   9           HA       ALA   9   3.295   1.619 -13.002
   69    HB1  ALA   9           HB1      ALA   9   2.166  -1.050 -12.658
   70    HB2  ALA   9           HB2      ALA   9   3.087  -0.860 -14.151
   71    HB3  ALA   9           HB3      ALA   9   3.844  -0.509 -12.597
   72    H    LYS  10           H        LYS  10   0.107   0.985 -14.192
   73    HA   LYS  10           HA       LYS  10   0.981   1.744 -16.903
   74    HB2  LYS  10           HB2      LYS  10  -1.466   0.123 -16.184
   75    HB3  LYS  10           HB3      LYS  10  -0.872   0.473 -17.802
   76    HG2  LYS  10           HG2      LYS  10   0.752  -1.059 -15.797
   77    HG3  LYS  10           HG3      LYS  10  -0.404  -1.838 -16.879
   78    HD2  LYS  10           HD2      LYS  10   1.762  -0.026 -17.906
   79    HD3  LYS  10           HD3      LYS  10   2.040  -1.747 -17.628
   80    HE2  LYS  10           HE2      LYS  10  -0.022  -2.131 -19.087
   81    HE3  LYS  10           HE3      LYS  10   0.143  -0.440 -19.557
   82    HZ1  LYS  10           HZ1      LYS  10   1.496  -2.643 -20.591
   83    HZ2  LYS  10           HZ2      LYS  10   2.643  -1.703 -19.778
   84    HZ3  LYS  10           HZ3      LYS  10   1.700  -1.014 -21.001
   85    H    PHE  11           H        PHE  11  -1.572   2.051 -14.474
   86    HA   PHE  11           HA       PHE  11  -3.134   3.932 -15.894
   87    HB2  PHE  11           HB2      PHE  11  -2.935   3.451 -12.913
   88    HB3  PHE  11           HB3      PHE  11  -4.201   4.379 -13.711
   89    HD1  PHE  11           HD1      PHE  11  -4.650   2.627 -16.089
   90    HD2  PHE  11           HD2      PHE  11  -4.152   1.697 -11.965
   91    HE1  PHE  11           HE1      PHE  11  -5.965   0.570 -16.398
   92    HE2  PHE  11           HE2      PHE  11  -5.465  -0.362 -12.268
   93    HZ   PHE  11           HZ       PHE  11  -6.372  -0.928 -14.486
   94    H    GLY  12           H        GLY  12  -1.273   4.566 -12.918
   95    HA2  GLY  12           HA2      GLY  12   0.526   6.279 -13.071
   96    HA3  GLY  12           HA3      GLY  12  -0.596   7.211 -14.052
   97    H    TRP  13           H        TRP  13   0.415   8.536 -12.015
   98    HA   TRP  13           HA       TRP  13  -0.943   8.243  -9.544
   99    HB2  TRP  13           HB2      TRP  13   0.111  10.899 -10.424
  100    HB3  TRP  13           HB3      TRP  13   0.215  10.119  -8.848
  101    HD1  TRP  13           HD1      TRP  13   2.370  11.037 -11.593
  102    HE1  TRP  13           HE1      TRP  13   4.530   9.637 -11.626
  103    HE3  TRP  13           HE3      TRP  13   0.956   7.288  -8.417
  104    HZ2  TRP  13           HZ2      TRP  13   5.504   7.257 -10.462
  105    HZ3  TRP  13           HZ3      TRP  13   2.561   5.487  -7.930
  106    HH2  TRP  13           HH2      TRP  13   4.787   5.474  -8.932
  107    HA   PRO  14           HA       PRO  14  -3.713  11.861 -11.199
  108    HB2  PRO  14           HB2      PRO  14  -3.664  12.295 -13.878
  109    HB3  PRO  14           HB3      PRO  14  -2.577  13.116 -12.753
  110    HG2  PRO  14           HG2      PRO  14  -2.057  10.734 -14.490
  111    HG3  PRO  14           HG3      PRO  14  -1.021  12.139 -14.178
  112    HD2  PRO  14           HD2      PRO  14  -0.657   9.758 -12.942
  113    HD3  PRO  14           HD3      PRO  14  -0.286  11.307 -12.158
  114    H    PHE  15           H        PHE  15  -3.285   8.772 -12.517
  115    HA   PHE  15           HA       PHE  15  -6.026   8.676 -13.564
  116    HB2  PHE  15           HB2      PHE  15  -3.857   7.789 -14.797
  117    HB3  PHE  15           HB3      PHE  15  -4.148   6.367 -13.801
  118    HD1  PHE  15           HD1      PHE  15  -6.250   5.095 -14.050
  119    HD2  PHE  15           HD2      PHE  15  -5.227   8.295 -16.663
  120    HE1  PHE  15           HE1      PHE  15  -7.921   4.300 -15.672
  121    HE2  PHE  15           HE2      PHE  15  -6.897   7.506 -18.288
  122    HZ   PHE  15           HZ       PHE  15  -8.247   5.506 -17.794
  123    H    ILE  16           H        ILE  16  -3.906   7.344 -11.121
  124    HA   ILE  16           HA       ILE  16  -5.831   5.389 -10.225
  125    HB   ILE  16           HB       ILE  16  -3.352   5.054 -10.047
  126   HG12  ILE  16          HG12      ILE  16  -3.691   4.516  -7.383
  127   HG13  ILE  16          HG13      ILE  16  -5.358   4.642  -7.934
  128   HG21  ILE  16          HG21      ILE  16  -2.790   7.334  -9.327
  129   HG22  ILE  16          HG22      ILE  16  -3.588   7.033  -7.785
  130   HG23  ILE  16          HG23      ILE  16  -2.148   6.116  -8.226
  131   HD11  ILE  16          HD11      ILE  16  -3.553   2.475  -8.207
  132   HD12  ILE  16          HD12      ILE  16  -5.239   2.582  -8.713
  133   HD13  ILE  16          HD13      ILE  16  -3.955   3.071  -9.817
  134    H    LYS  17           H        LYS  17  -4.890   8.643  -9.405
  135    HA   LYS  17           HA       LYS  17  -6.166   8.712  -6.852
  136    HB2  LYS  17           HB2      LYS  17  -5.677  11.035  -6.837
  137    HB3  LYS  17           HB3      LYS  17  -4.320  10.253  -7.638
  138    HG2  LYS  17           HG2      LYS  17  -5.358  10.850  -9.824
  139    HG3  LYS  17           HG3      LYS  17  -6.568  11.777  -8.934
  140    HD2  LYS  17           HD2      LYS  17  -3.612  12.244  -8.617
  141    HD3  LYS  17           HD3      LYS  17  -4.580  13.074  -9.838
  142    HE2  LYS  17           HE2      LYS  17  -4.630  14.579  -8.090
  143    HE3  LYS  17           HE3      LYS  17  -6.117  13.670  -7.827
  144    HZ1  LYS  17           HZ1      LYS  17  -3.932  13.979  -6.093
  145    HZ2  LYS  17           HZ2      LYS  17  -4.064  12.341  -6.490
  146    HZ3  LYS  17           HZ3      LYS  17  -5.384  13.157  -5.818
  147    H    LYS  18           H        LYS  18  -7.269   8.930 -10.082
  148    HA   LYS  18           HA       LYS  18  -9.609  10.495  -9.598
  149    HB2  LYS  18           HB2      LYS  18  -8.607   8.802 -11.852
  150    HB3  LYS  18           HB3      LYS  18 -10.296   9.292 -11.838
  151    HG2  LYS  18           HG2      LYS  18  -8.386  11.462 -11.344
  152    HG3  LYS  18           HG3      LYS  18  -8.282  10.723 -12.944
  153    HD2  LYS  18           HD2      LYS  18  -9.823  12.545 -13.079
  154    HD3  LYS  18           HD3      LYS  18 -10.753  11.046 -13.165
  155    HE2  LYS  18           HE2      LYS  18 -11.858  12.628 -11.701
  156    HE3  LYS  18           HE3      LYS  18 -11.267  11.253 -10.768
  157    HZ1  LYS  18           HZ1      LYS  18  -9.947  12.564  -9.573
  158    HZ2  LYS  18           HZ2      LYS  18 -10.806  13.874 -10.210
  159    HZ3  LYS  18           HZ3      LYS  18  -9.358  13.381 -10.932
  160    H    PHE  19           H        PHE  19  -8.827   7.086  -9.478
  161    HA   PHE  19           HA       PHE  19 -11.542   6.564  -8.469
  162    HB2  PHE  19           HB2      PHE  19  -9.917   4.926 -10.408
  163    HB3  PHE  19           HB3      PHE  19 -11.244   4.231  -9.484
  164    HD1  PHE  19           HD1      PHE  19 -10.370   6.765 -12.018
  165    HD2  PHE  19           HD2      PHE  19 -13.491   4.595 -10.104
  166    HE1  PHE  19           HE1      PHE  19 -11.962   7.563 -13.717
  167    HE2  PHE  19           HE2      PHE  19 -15.087   5.388 -11.800
  168    HZ   PHE  19           HZ       PHE  19 -14.323   6.873 -13.610
  169    H    TYR  20           H        TYR  20  -9.038   7.161  -7.069
  170    HA   TYR  20           HA       TYR  20  -7.850   4.845  -6.014
  171    HB2  TYR  20           HB2      TYR  20  -6.887   7.118  -5.815
  172    HB3  TYR  20           HB3      TYR  20  -8.165   7.544  -4.684
  173    HD1  TYR  20           HD2      TYR  20  -5.152   5.478  -5.167
  174    HD2  TYR  20           HD1      TYR  20  -8.078   6.846  -2.397
  175    HE1  TYR  20           HE2      TYR  20  -3.778   4.636  -3.308
  176    HE2  TYR  20           HE1      TYR  20  -6.712   6.009  -0.531
  177    HH   TYR  20           HH       TYR  20  -3.576   4.440  -1.110
  178    H    LYS  21           H        LYS  21 -10.818   6.488  -5.258
  179    HA   LYS  21           HA       LYS  21 -11.255   5.391  -2.688
  180    HB2  LYS  21           HB2      LYS  21 -13.042   6.608  -4.772
  181    HB3  LYS  21           HB3      LYS  21 -13.725   5.887  -3.321
  182    HG2  LYS  21           HG2      LYS  21 -12.011   7.428  -2.096
  183    HG3  LYS  21           HG3      LYS  21 -12.043   8.329  -3.614
  184    HD2  LYS  21           HD2      LYS  21 -13.727   9.376  -2.451
  185    HD3  LYS  21           HD3      LYS  21 -14.641   8.138  -3.316
  186    HE2  LYS  21           HE2      LYS  21 -15.006   6.894  -1.424
  187    HE3  LYS  21           HE3      LYS  21 -13.545   7.477  -0.629
  188    HZ1  LYS  21           HZ1      LYS  21 -14.895   9.728  -0.729
  189    HZ2  LYS  21           HZ2      LYS  21 -15.084   8.628   0.542
  190    HZ3  LYS  21           HZ3      LYS  21 -16.210   8.663  -0.721
  191    H    GLN  22           H        GLN  22 -11.916   4.244  -5.936
  192    HA   GLN  22           HA       GLN  22 -13.404   1.950  -4.957
  193    HB2  GLN  22           HB2      GLN  22 -13.786   3.306  -7.170
  194    HB3  GLN  22           HB3      GLN  22 -12.521   2.260  -7.801
  195    HG2  GLN  22           HG2      GLN  22 -14.298   0.989  -8.354
  196    HG3  GLN  22           HG3      GLN  22 -14.072   0.397  -6.709
  197   HE21  GLN  22          HE21      GLN  22 -15.618   3.199  -8.252
  198   HE22  GLN  22          HE22      GLN  22 -17.111   3.061  -7.394
  199    H    ILE  23           H        ILE  23 -10.352   2.583  -6.662
  200    HA   ILE  23           HA       ILE  23  -9.459  -0.024  -6.949
  201    HB   ILE  23           HB       ILE  23  -7.794   2.433  -6.386
  202   HG12  ILE  23          HG12      ILE  23  -8.026   1.266  -9.104
  203   HG13  ILE  23          HG13      ILE  23  -9.450   2.095  -8.485
  204   HG21  ILE  23          HG21      ILE  23  -6.410   0.563  -5.990
  205   HG22  ILE  23          HG22      ILE  23  -7.061  -0.308  -7.378
  206   HG23  ILE  23          HG23      ILE  23  -6.032   1.103  -7.626
  207   HD11  ILE  23          HD11      ILE  23  -6.976   3.176  -9.505
  208   HD12  ILE  23          HD12      ILE  23  -8.528   3.966  -9.228
  209   HD13  ILE  23          HD13      ILE  23  -7.367   3.818  -7.910
  210    H    MET  24           H        MET  24  -8.436   2.218  -4.364
  211    HA   MET  24           HA       MET  24  -7.130   0.337  -2.790
  212    HB2  MET  24           HB2      MET  24  -7.135   2.883  -2.570
  213    HB3  MET  24           HB3      MET  24  -8.627   2.695  -1.660
  214    HG2  MET  24           HG2      MET  24  -6.299   1.073  -0.815
  215    HG3  MET  24           HG3      MET  24  -6.248   2.806  -0.500
  216    HE1  MET  24           HE1      MET  24  -6.638   3.471   1.737
  217    HE2  MET  24           HE2      MET  24  -7.493   2.542   2.968
  218    HE3  MET  24           HE3      MET  24  -6.046   1.878   2.208
  219    H    GLN  25           H        GLN  25 -10.513   0.947  -3.186
  220    HA   GLN  25           HA       GLN  25 -11.357  -0.339  -0.771
  221    HB2  GLN  25           HB2      GLN  25 -12.633   0.917  -3.099
  222    HB3  GLN  25           HB3      GLN  25 -13.534  -0.438  -2.431
  223    HG2  GLN  25           HG2      GLN  25 -12.572   1.928  -0.840
  224    HG3  GLN  25           HG3      GLN  25 -14.196   1.751  -1.503
  225   HE21  GLN  25          HE21      GLN  25 -13.058   1.896   1.287
  226   HE22  GLN  25          HE22      GLN  25 -13.759   0.544   2.102
  227    H    PHE  26           H        PHE  26 -10.600  -1.361  -4.003
  228    HA   PHE  26           HA       PHE  26 -11.930  -3.884  -3.873
  229    HB2  PHE  26           HB2      PHE  26  -9.784  -2.781  -5.684
  230    HB3  PHE  26           HB3      PHE  26 -10.417  -4.416  -5.852
  231    HD1  PHE  26           HD2      PHE  26 -13.265  -4.050  -5.362
  232    HD2  PHE  26           HD1      PHE  26 -10.531  -1.610  -7.527
  233    HE1  PHE  26           HE2      PHE  26 -15.121  -3.190  -6.730
  234    HE2  PHE  26           HE1      PHE  26 -12.382  -0.745  -8.898
  235    HZ   PHE  26           HZ       PHE  26 -14.680  -1.536  -8.501
  236    H    ILE  27           H        ILE  27  -8.753  -2.704  -3.011
  237    HA   ILE  27           HA       ILE  27  -7.393  -5.141  -2.795
  238    HB   ILE  27           HB       ILE  27  -7.003  -2.645  -1.139
  239   HG12  ILE  27          HG12      ILE  27  -5.400  -3.489  -3.545
  240   HG13  ILE  27          HG13      ILE  27  -6.855  -2.513  -3.709
  241   HG21  ILE  27          HG21      ILE  27  -5.629  -5.230  -1.215
  242   HG22  ILE  27          HG22      ILE  27  -4.563  -3.833  -1.356
  243   HG23  ILE  27          HG23      ILE  27  -5.639  -3.985   0.033
  244   HD11  ILE  27          HD11      ILE  27  -5.365  -0.832  -3.593
  245   HD12  ILE  27          HD12      ILE  27  -5.565  -1.077  -1.857
  246   HD13  ILE  27          HD13      ILE  27  -4.187  -1.790  -2.696
  247    H    GLY  28           H        GLY  28  -9.162  -3.297  -0.310
  248    HA2  GLY  28           HA2      GLY  28  -8.764  -5.190   1.758
  249    HA3  GLY  28           HA3      GLY  28  -9.986  -3.928   1.739
  250    H    GLN  29           H        GLN  29 -10.907  -5.149  -0.926
  251    HA   GLN  29           HA       GLN  29 -12.892  -6.864   0.261
  252    HB2  GLN  29           HB2      GLN  29 -13.645  -5.368  -1.444
  253    HB3  GLN  29           HB3      GLN  29 -12.410  -5.925  -2.565
  254    HG2  GLN  29           HG2      GLN  29 -14.547  -6.823  -3.196
  255    HG3  GLN  29           HG3      GLN  29 -13.497  -8.126  -2.640
  256   HE21  GLN  29          HE21      GLN  29 -14.978  -9.556  -1.944
  257   HE22  GLN  29          HE22      GLN  29 -16.109  -9.255  -0.674
  258    H    GLY  30           H        GLY  30  -9.952  -7.250  -1.553
  259    HA2  GLY  30           HA2      GLY  30  -8.772  -9.355  -1.370
  260    HA3  GLY  30           HA3      GLY  30 -10.327 -10.171  -1.409
  261    H    TRP  31           H        TRP  31  -9.789  -7.537  -3.578
  262    HA   TRP  31           HA       TRP  31 -10.178  -9.248  -5.845
  263    HB2  TRP  31           HB2      TRP  31  -9.899  -6.314  -5.398
  264    HB3  TRP  31           HB3      TRP  31  -9.593  -6.933  -7.018
  265    HD1  TRP  31           HD1      TRP  31 -12.299  -8.570  -4.892
  266    HE1  TRP  31           HE1      TRP  31 -14.597  -8.056  -5.932
  267    HE3  TRP  31           HE3      TRP  31 -10.848  -5.177  -8.431
  268    HZ2  TRP  31           HZ2      TRP  31 -15.654  -6.429  -7.982
  269    HZ3  TRP  31           HZ3      TRP  31 -12.565  -4.189  -9.891
  270    HH2  TRP  31           HH2      TRP  31 -14.917  -4.804  -9.670
  271    H    THR  32           H        THR  32  -8.723  -9.952  -7.322
  272    HA   THR  32           HA       THR  32  -5.972 -10.024  -6.583
  273    HB   THR  32           HB       THR  32  -5.610 -11.353  -8.542
  274    HG1  THR  32           HG1      THR  32  -6.700 -10.957 -10.303
  275   HG21  THR  32          HG21      THR  32  -7.085 -12.228  -6.599
  276   HG22  THR  32          HG22      THR  32  -7.021 -13.153  -8.099
  277   HG23  THR  32          HG23      THR  32  -8.404 -12.112  -7.763
  278    H    ILE  33           H        ILE  33  -4.205  -9.425  -8.103
  279    HA   ILE  33           HA       ILE  33  -4.219  -6.681  -8.639
  280    HB   ILE  33           HB       ILE  33  -2.393  -8.782  -9.811
  281   HG12  ILE  33          HG12      ILE  33  -2.370  -8.829  -7.375
  282   HG13  ILE  33          HG13      ILE  33  -0.869  -8.132  -7.973
  283   HG21  ILE  33          HG21      ILE  33  -2.256  -6.727 -11.068
  284   HG22  ILE  33          HG22      ILE  33  -2.083  -5.793  -9.583
  285   HG23  ILE  33          HG23      ILE  33  -0.808  -6.905 -10.078
  286   HD11  ILE  33          HD11      ILE  33  -2.652  -5.995  -7.589
  287   HD12  ILE  33          HD12      ILE  33  -2.770  -7.028  -6.164
  288   HD13  ILE  33          HD13      ILE  33  -1.204  -6.389  -6.663
  289    H    ASP  34           H        ASP  34  -5.228  -9.375 -10.562
  290    HA   ASP  34           HA       ASP  34  -5.179  -7.928 -13.060
  291    HB2  ASP  34           HB2      ASP  34  -4.809 -10.300 -13.168
  292    HB3  ASP  34           HB3      ASP  34  -6.299 -10.626 -12.286
  293    H    GLN  35           H        GLN  35  -7.486  -8.676 -10.545
  294    HA   GLN  35           HA       GLN  35  -9.878  -8.162 -11.866
  295    HB2  GLN  35           HB2      GLN  35  -9.033  -7.798  -9.002
  296    HB3  GLN  35           HB3      GLN  35 -10.663  -7.409  -9.534
  297    HG2  GLN  35           HG2      GLN  35  -9.448 -10.097 -10.051
  298    HG3  GLN  35           HG3      GLN  35 -10.240  -9.715  -8.524
  299   HE21  GLN  35          HE21      GLN  35 -11.065 -11.709 -10.347
  300   HE22  GLN  35          HE22      GLN  35 -12.632 -11.278 -10.931
  301    H    ILE  36           H        ILE  36  -7.772  -5.899 -10.108
  302    HA   ILE  36           HA       ILE  36  -9.366  -3.613 -10.688
  303    HB   ILE  36           HB       ILE  36  -6.467  -3.770  -9.855
  304   HG12  ILE  36          HG12      ILE  36  -7.756  -2.905  -7.669
  305   HG13  ILE  36          HG13      ILE  36  -9.053  -3.851  -8.390
  306   HG21  ILE  36          HG21      ILE  36  -6.776  -1.631 -10.783
  307   HG22  ILE  36          HG22      ILE  36  -8.381  -1.467 -10.074
  308   HG23  ILE  36          HG23      ILE  36  -6.952  -1.411  -9.042
  309   HD11  ILE  36          HD11      ILE  36  -7.963  -5.831  -8.081
  310   HD12  ILE  36          HD12      ILE  36  -6.364  -5.087  -8.125
  311   HD13  ILE  36          HD13      ILE  36  -7.377  -4.919  -6.691
  312    H    GLU  37           H        GLU  37  -6.213  -4.701 -11.955
  313    HA   GLU  37           HA       GLU  37  -5.815  -2.737 -13.851
  314    HB2  GLU  37           HB2      GLU  37  -4.959  -5.579 -13.598
  315    HB3  GLU  37           HB3      GLU  37  -4.699  -4.779 -15.142
  316    HG2  GLU  37           HG2      GLU  37  -3.627  -2.912 -13.678
  317    HG3  GLU  37           HG3      GLU  37  -3.489  -4.199 -12.482
  318    H    LYS  38           H        LYS  38  -7.973  -5.469 -13.935
  319    HA   LYS  38           HA       LYS  38  -8.587  -5.062 -16.754
  320    HB2  LYS  38           HB2      LYS  38  -9.533  -7.082 -14.721
  321    HB3  LYS  38           HB3      LYS  38 -10.180  -6.991 -16.354
  322    HG2  LYS  38           HG2      LYS  38  -7.240  -7.289 -15.872
  323    HG3  LYS  38           HG3      LYS  38  -8.320  -8.686 -15.864
  324    HD2  LYS  38           HD2      LYS  38  -9.072  -8.102 -18.127
  325    HD3  LYS  38           HD3      LYS  38  -7.969  -6.724 -18.132
  326    HE2  LYS  38           HE2      LYS  38  -6.889  -8.473 -19.317
  327    HE3  LYS  38           HE3      LYS  38  -6.097  -8.358 -17.746
  328    HZ1  LYS  38           HZ1      LYS  38  -8.330 -10.224 -17.997
  329    HZ2  LYS  38           HZ2      LYS  38  -6.913 -10.352 -17.083
  330    HZ3  LYS  38           HZ3      LYS  38  -6.875 -10.652 -18.747
  331    H    TRP  39           H        TRP  39  -9.848  -4.317 -13.615
  332    HA   TRP  39           HA       TRP  39 -12.534  -3.810 -14.386
  333    HB2  TRP  39           HB2      TRP  39 -11.928  -4.210 -12.051
  334    HB3  TRP  39           HB3      TRP  39 -10.944  -2.749 -12.041
  335    HD1  TRP  39           HD1      TRP  39 -14.608  -3.886 -12.063
  336    HE1  TRP  39           HE1      TRP  39 -16.078  -1.916 -11.297
  337    HE3  TRP  39           HE3      TRP  39 -11.041  -0.227 -11.897
  338    HZ2  TRP  39           HZ2      TRP  39 -15.767   0.825 -10.702
  339    HZ3  TRP  39           HZ3      TRP  39 -11.710   2.042 -11.220
  340    HH2  TRP  39           HH2      TRP  39 -14.024   2.555 -10.636
  341    H    LEU  40           H        LEU  40  -9.685  -1.734 -13.998
  342    HA   LEU  40           HA       LEU  40 -11.181   0.539 -15.064
  343    HB2  LEU  40           HB2      LEU  40  -9.684   0.706 -13.031
  344    HB3  LEU  40           HB3      LEU  40  -8.321   0.503 -14.130
  345    HG   LEU  40           HG       LEU  40  -8.843   2.581 -15.235
  346   HD11  LEU  40          HD11      LEU  40 -11.252   2.522 -15.145
  347   HD12  LEU  40          HD12      LEU  40 -10.672   4.020 -14.418
  348   HD13  LEU  40          HD13      LEU  40 -11.224   2.698 -13.390
  349   HD21  LEU  40          HD21      LEU  40  -7.613   2.473 -12.968
  350   HD22  LEU  40          HD22      LEU  40  -9.076   3.210 -12.316
  351   HD23  LEU  40          HD23      LEU  40  -8.152   4.042 -13.567
  352    H    LYS  41           H        LYS  41 -10.547  -1.695 -16.779
  353    HA   LYS  41           HA       LYS  41  -8.601  -0.469 -18.617
  354    HB2  LYS  41           HB2      LYS  41  -7.910  -2.681 -18.035
  355    HB3  LYS  41           HB3      LYS  41  -9.525  -3.324 -18.301
  356    HG2  LYS  41           HG2      LYS  41  -8.059  -3.954 -20.114
  357    HG3  LYS  41           HG3      LYS  41  -9.308  -2.851 -20.697
  358    HD2  LYS  41           HD2      LYS  41  -7.278  -2.131 -21.679
  359    HD3  LYS  41           HD3      LYS  41  -7.628  -0.987 -20.382
  360    HE2  LYS  41           HE2      LYS  41  -5.351  -1.454 -20.140
  361    HE3  LYS  41           HE3      LYS  41  -6.132  -2.466 -18.926
  362    HZ1  LYS  41           HZ1      LYS  41  -4.550  -3.234 -21.170
  363    HZ2  LYS  41           HZ2      LYS  41  -6.050  -4.016 -21.181
  364    HZ3  LYS  41           HZ3      LYS  41  -5.035  -4.152 -19.834
  365    H    ARG  42           H        ARG  42 -11.806  -1.944 -18.413
  366    HA   ARG  42           HA       ARG  42 -12.387  -1.082 -21.151
  367    HB2  ARG  42           HB2      ARG  42 -14.378  -2.475 -20.990
  368    HB3  ARG  42           HB3      ARG  42 -12.950  -3.398 -20.542
  369    HG2  ARG  42           HG2      ARG  42 -13.649  -2.618 -18.115
  370    HG3  ARG  42           HG3      ARG  42 -15.236  -2.506 -18.878
  371    HD2  ARG  42           HD2      ARG  42 -13.448  -4.934 -18.798
  372    HD3  ARG  42           HD3      ARG  42 -14.929  -4.695 -17.872
  373    HE   ARG  42           HE       ARG  42 -14.718  -5.506 -20.613
  374   HH11  ARG  42          HH11      ARG  42 -16.738  -3.913 -18.268
  375   HH12  ARG  42          HH12      ARG  42 -18.211  -4.249 -19.115
  376   HH21  ARG  42          HH21      ARG  42 -16.650  -5.955 -21.738
  377   HH22  ARG  42          HH22      ARG  42 -18.160  -5.412 -21.089
  378    H    HIS  43           H        HIS  43 -12.097   0.904 -19.132
  379    HA   HIS  43           HA       HIS  43 -14.531   1.758 -18.026
  380    HB2  HIS  43           HB2      HIS  43 -13.449   3.919 -17.727
  381    HB3  HIS  43           HB3      HIS  43 -12.324   2.624 -17.329
  382    HD1  HIS  43           HD1      HIS  43 -12.975   5.279 -19.898
  383    HD2  HIS  43           HD2      HIS  43 -10.070   2.464 -18.950
  384    HE1  HIS  43           HE1      HIS  43 -10.991   5.851 -21.333
  Start of MODEL   16
    1    HCN  FME   1           HF       FME   1  -3.438   2.878  -0.025
    2    HA   FME   1           HA       FME   1  -0.534   0.729  -0.160
    3    HB2  FME   1           HB2      FME   1  -0.729   0.382   2.863
    4    HB3  FME   1           HB3      FME   1  -0.484   1.973   2.061
    5    HG2  FME   1           HG2      FME   1   1.532   0.844   0.801
    6    HG3  FME   1           HG3      FME   1   1.396  -0.478   2.015
    7    HE1  FME   1           HE8      FME   1   2.510   2.746   0.949
    8    HE2  FME   1           HE2      FME   1   4.010   2.002   1.640
    9    HE3  FME   1           HE3      FME   1   3.362   3.556   2.326
   10    H    GLY   2           H        GLY   2  -0.249  -0.962  -1.175
   11    HA2  GLY   2           HA2      GLY   2   0.007  -3.487  -0.192
   12    HA3  GLY   2           HA3      GLY   2  -1.698  -3.385  -0.608
   13    H    ALA   3           H        ALA   3  -2.140  -2.578  -2.878
   14    HA   ALA   3           HA       ALA   3  -0.116  -3.663  -4.727
   15    HB1  ALA   3           HB1      ALA   3  -3.057  -3.768  -5.296
   16    HB2  ALA   3           HB2      ALA   3  -1.751  -4.713  -6.014
   17    HB3  ALA   3           HB3      ALA   3  -2.260  -5.028  -4.355
   18    H    ILE   4           H        ILE   4  -0.060  -0.998  -4.070
   19    HA   ILE   4           HA       ILE   4  -1.449   0.423  -6.217
   20    HB   ILE   4           HB       ILE   4   0.321   1.719  -4.166
   21   HG12  ILE   4          HG12      ILE   4  -1.238   0.334  -2.907
   22   HG13  ILE   4          HG13      ILE   4  -1.687   2.029  -2.755
   23   HG21  ILE   4          HG21      ILE   4  -1.467   2.587  -6.264
   24   HG22  ILE   4          HG22      ILE   4  -1.911   3.282  -4.706
   25   HG23  ILE   4          HG23      ILE   4  -0.282   3.510  -5.341
   26   HD11  ILE   4          HD11      ILE   4  -3.016  -0.090  -4.411
   27   HD12  ILE   4          HD12      ILE   4  -3.685   0.817  -3.054
   28   HD13  ILE   4          HD13      ILE   4  -3.362   1.630  -4.586
   29    H    ALA   5           H        ALA   5   0.794  -1.399  -6.740
   30    HA   ALA   5           HA       ALA   5   2.636   0.543  -7.976
   31    HB1  ALA   5           HB1      ALA   5   3.808  -2.078  -7.529
   32    HB2  ALA   5           HB2      ALA   5   4.432  -0.476  -7.135
   33    HB3  ALA   5           HB3      ALA   5   3.321  -1.286  -6.030
   34    H    LYS   6           H        LYS   6   1.011  -2.570  -8.219
   35    HA   LYS   6           HA       LYS   6   1.957  -3.095 -10.882
   36    HB2  LYS   6           HB2      LYS   6  -0.391  -4.404  -9.516
   37    HB3  LYS   6           HB3      LYS   6   0.606  -5.057 -10.809
   38    HG2  LYS   6           HG2      LYS   6   1.600  -4.476  -8.028
   39    HG3  LYS   6           HG3      LYS   6   1.051  -6.058  -8.588
   40    HD2  LYS   6           HD2      LYS   6   2.788  -5.849 -10.426
   41    HD3  LYS   6           HD3      LYS   6   3.429  -4.470  -9.530
   42    HE2  LYS   6           HE2      LYS   6   4.692  -6.394  -8.901
   43    HE3  LYS   6           HE3      LYS   6   3.652  -5.970  -7.543
   44    HZ1  LYS   6           HZ1      LYS   6   3.852  -8.428  -8.427
   45    HZ2  LYS   6           HZ2      LYS   6   2.629  -7.909  -9.474
   46    HZ3  LYS   6           HZ3      LYS   6   2.399  -7.827  -7.800
   47    H    LEU   7           H        LEU   7  -0.900  -1.681  -9.422
   48    HA   LEU   7           HA       LEU   7  -2.356  -1.567 -11.909
   49    HB2  LEU   7           HB2      LEU   7  -3.027   0.013  -9.455
   50    HB3  LEU   7           HB3      LEU   7  -4.109  -0.622 -10.693
   51    HG   LEU   7           HG       LEU   7  -2.616  -2.380  -8.756
   52   HD11  LEU   7          HD11      LEU   7  -5.506  -1.888  -8.398
   53   HD12  LEU   7          HD12      LEU   7  -4.417  -0.592  -7.905
   54   HD13  LEU   7          HD13      LEU   7  -4.247  -2.201  -7.203
   55   HD21  LEU   7          HD21      LEU   7  -4.819  -3.730  -9.451
   56   HD22  LEU   7          HD22      LEU   7  -3.304  -3.835 -10.348
   57   HD23  LEU   7          HD23      LEU   7  -4.595  -2.776 -10.917
   58    H    VAL   8           H        VAL   8  -0.662   0.734  -9.808
   59    HA   VAL   8           HA       VAL   8  -1.202   3.023 -11.389
   60    HB   VAL   8           HB       VAL   8   1.043   2.534  -9.427
   61   HG11  VAL   8          HG11      VAL   8   0.423   4.780 -11.169
   62   HG12  VAL   8          HG12      VAL   8   0.512   5.236  -9.467
   63   HG13  VAL   8          HG13      VAL   8   1.882   4.438 -10.240
   64   HG21  VAL   8          HG21      VAL   8  -0.320   3.280  -7.747
   65   HG22  VAL   8          HG22      VAL   8  -1.335   4.224  -8.837
   66   HG23  VAL   8          HG23      VAL   8  -1.509   2.470  -8.767
   67    H    ALA   9           H        ALA   9   1.127   0.477 -11.618
   68    HA   ALA   9           HA       ALA   9   3.173   1.702 -13.053
   69    HB1  ALA   9           HB1      ALA   9   2.215  -1.052 -12.672
   70    HB2  ALA   9           HB2      ALA   9   3.164  -0.776 -14.133
   71    HB3  ALA   9           HB3      ALA   9   3.845  -0.386 -12.554
   72    H    LYS  10           H        LYS  10  -0.035   0.869 -14.022
   73    HA   LYS  10           HA       LYS  10   0.633   1.500 -16.821
   74    HB2  LYS  10           HB2      LYS  10  -1.827   0.037 -15.866
   75    HB3  LYS  10           HB3      LYS  10  -1.242   0.189 -17.518
   76    HG2  LYS  10           HG2      LYS  10   0.122  -1.324 -15.299
   77    HG3  LYS  10           HG3      LYS  10  -0.814  -2.032 -16.618
   78    HD2  LYS  10           HD2      LYS  10   0.806  -0.910 -18.201
   79    HD3  LYS  10           HD3      LYS  10   1.800  -0.544 -16.789
   80    HE2  LYS  10           HE2      LYS  10   2.214  -2.811 -16.357
   81    HE3  LYS  10           HE3      LYS  10   0.887  -3.340 -17.390
   82    HZ1  LYS  10           HZ1      LYS  10   3.016  -3.714 -18.451
   83    HZ2  LYS  10           HZ2      LYS  10   3.410  -2.074 -18.316
   84    HZ3  LYS  10           HZ3      LYS  10   2.133  -2.558 -19.315
   85    H    PHE  11           H        PHE  11  -1.540   2.151 -14.141
   86    HA   PHE  11           HA       PHE  11  -3.162   4.006 -15.621
   87    HB2  PHE  11           HB2      PHE  11  -2.958   3.469 -12.651
   88    HB3  PHE  11           HB3      PHE  11  -4.158   4.517 -13.400
   89    HD1  PHE  11           HD2      PHE  11  -4.858   2.928 -15.792
   90    HD2  PHE  11           HD1      PHE  11  -4.218   1.736 -11.756
   91    HE1  PHE  11           HE2      PHE  11  -6.336   0.990 -16.133
   92    HE2  PHE  11           HE1      PHE  11  -5.694  -0.204 -12.091
   93    HZ   PHE  11           HZ       PHE  11  -6.756  -0.578 -14.281
   94    H    GLY  12           H        GLY  12  -1.146   4.501 -12.716
   95    HA2  GLY  12           HA2      GLY  12   0.694   6.150 -12.895
   96    HA3  GLY  12           HA3      GLY  12  -0.418   7.143 -13.826
   97    H    TRP  13           H        TRP  13   0.724   8.386 -11.800
   98    HA   TRP  13           HA       TRP  13  -0.582   8.120  -9.296
   99    HB2  TRP  13           HB2      TRP  13   0.594  10.730 -10.153
  100    HB3  TRP  13           HB3      TRP  13   0.701   9.910  -8.598
  101    HD1  TRP  13           HD1      TRP  13   2.824  10.774 -11.383
  102    HE1  TRP  13           HE1      TRP  13   4.901   9.260 -11.512
  103    HE3  TRP  13           HE3      TRP  13   1.296   7.031  -8.254
  104    HZ2  TRP  13           HZ2      TRP  13   5.776   6.803 -10.432
  105    HZ3  TRP  13           HZ3      TRP  13   2.812   5.135  -7.855
  106    HH2  TRP  13           HH2      TRP  13   5.005   5.024  -8.923
  107    HA   PRO  14           HA       PRO  14  -3.184  11.918 -10.813
  108    HB2  PRO  14           HB2      PRO  14  -3.174  12.404 -13.484
  109    HB3  PRO  14           HB3      PRO  14  -2.016  13.141 -12.369
  110    HG2  PRO  14           HG2      PRO  14  -1.672  10.771 -14.165
  111    HG3  PRO  14           HG3      PRO  14  -0.551  12.109 -13.851
  112    HD2  PRO  14           HD2      PRO  14  -0.293   9.686 -12.671
  113    HD3  PRO  14           HD3      PRO  14   0.183  11.195 -11.867
  114    H    PHE  15           H        PHE  15  -2.956   8.842 -12.222
  115    HA   PHE  15           HA       PHE  15  -5.716   8.919 -13.211
  116    HB2  PHE  15           HB2      PHE  15  -3.617   7.914 -14.479
  117    HB3  PHE  15           HB3      PHE  15  -3.990   6.501 -13.498
  118    HD1  PHE  15           HD2      PHE  15  -6.155   5.354 -13.754
  119    HD2  PHE  15           HD1      PHE  15  -4.988   8.550 -16.311
  120    HE1  PHE  15           HE2      PHE  15  -7.889   4.691 -15.368
  121    HE2  PHE  15           HE1      PHE  15  -6.722   7.893 -17.929
  122    HZ   PHE  15           HZ       PHE  15  -8.174   5.960 -17.459
  123    H    ILE  16           H        ILE  16  -3.595   7.110 -11.025
  124    HA   ILE  16           HA       ILE  16  -5.566   5.321 -10.081
  125    HB   ILE  16           HB       ILE  16  -3.090   5.022  -9.815
  126   HG12  ILE  16          HG12      ILE  16  -3.379   4.295  -7.288
  127   HG13  ILE  16          HG13      ILE  16  -5.066   4.695  -7.596
  128   HG21  ILE  16          HG21      ILE  16  -2.572   7.294  -9.065
  129   HG22  ILE  16          HG22      ILE  16  -3.445   6.995  -7.563
  130   HG23  ILE  16          HG23      ILE  16  -1.979   6.085  -7.927
  131   HD11  ILE  16          HD11      ILE  16  -3.486   2.410  -8.474
  132   HD12  ILE  16          HD12      ILE  16  -5.231   2.584  -8.283
  133   HD13  ILE  16          HD13      ILE  16  -4.443   3.152  -9.755
  134    H    LYS  17           H        LYS  17  -4.695   8.580  -9.201
  135    HA   LYS  17           HA       LYS  17  -6.085   8.606  -6.702
  136    HB2  LYS  17           HB2      LYS  17  -5.597  10.927  -6.626
  137    HB3  LYS  17           HB3      LYS  17  -4.203  10.159  -7.374
  138    HG2  LYS  17           HG2      LYS  17  -5.087  10.807  -9.590
  139    HG3  LYS  17           HG3      LYS  17  -6.399  11.666  -8.779
  140    HD2  LYS  17           HD2      LYS  17  -3.494  12.237  -8.236
  141    HD3  LYS  17           HD3      LYS  17  -4.411  13.067  -9.495
  142    HE2  LYS  17           HE2      LYS  17  -6.043  13.773  -7.763
  143    HE3  LYS  17           HE3      LYS  17  -5.006  13.043  -6.538
  144    HZ1  LYS  17           HZ1      LYS  17  -3.394  14.707  -8.060
  145    HZ2  LYS  17           HZ2      LYS  17  -3.897  14.942  -6.463
  146    HZ3  LYS  17           HZ3      LYS  17  -4.801  15.590  -7.737
  147    H    LYS  18           H        LYS  18  -7.031   8.865  -9.977
  148    HA   LYS  18           HA       LYS  18  -9.418  10.398  -9.537
  149    HB2  LYS  18           HB2      LYS  18  -8.400   8.766 -11.858
  150    HB3  LYS  18           HB3      LYS  18  -9.979   9.541 -11.878
  151    HG2  LYS  18           HG2      LYS  18  -8.979  11.713 -11.673
  152    HG3  LYS  18           HG3      LYS  18  -7.379  10.999 -11.454
  153    HD2  LYS  18           HD2      LYS  18  -7.237  10.333 -13.680
  154    HD3  LYS  18           HD3      LYS  18  -8.984  10.426 -13.919
  155    HE2  LYS  18           HE2      LYS  18  -8.882  12.859 -13.765
  156    HE3  LYS  18           HE3      LYS  18  -7.142  12.777 -13.489
  157    HZ1  LYS  18           HZ1      LYS  18  -8.029  13.239 -15.851
  158    HZ2  LYS  18           HZ2      LYS  18  -8.303  11.571 -15.911
  159    HZ3  LYS  18           HZ3      LYS  18  -6.739  12.162 -15.657
  160    H    PHE  19           H        PHE  19  -8.532   7.050  -9.397
  161    HA   PHE  19           HA       PHE  19 -11.314   6.385  -8.719
  162    HB2  PHE  19           HB2      PHE  19  -9.466   4.972 -10.613
  163    HB3  PHE  19           HB3      PHE  19 -10.694   4.061  -9.740
  164    HD1  PHE  19           HD1      PHE  19 -10.227   6.948 -12.022
  165    HD2  PHE  19           HD2      PHE  19 -12.891   3.993 -10.509
  166    HE1  PHE  19           HE1      PHE  19 -11.896   7.593 -13.710
  167    HE2  PHE  19           HE2      PHE  19 -14.564   4.633 -12.195
  168    HZ   PHE  19           HZ       PHE  19 -14.067   6.434 -13.799
  169    H    TYR  20           H        TYR  20  -8.930   7.020  -7.096
  170    HA   TYR  20           HA       TYR  20  -7.838   4.676  -5.973
  171    HB2  TYR  20           HB2      TYR  20  -6.888   6.981  -5.736
  172    HB3  TYR  20           HB3      TYR  20  -8.190   7.352  -4.611
  173    HD1  TYR  20           HD1      TYR  20  -5.189   5.257  -5.130
  174    HD2  TYR  20           HD2      TYR  20  -8.095   6.638  -2.345
  175    HE1  TYR  20           HE1      TYR  20  -3.839   4.356  -3.282
  176    HE2  TYR  20           HE2      TYR  20  -6.752   5.742  -0.490
  177    HH   TYR  20           HH       TYR  20  -4.115   5.216  -0.213
  178    H    LYS  21           H        LYS  21 -10.849   6.304  -5.508
  179    HA   LYS  21           HA       LYS  21 -11.488   5.300  -2.937
  180    HB2  LYS  21           HB2      LYS  21 -12.609   7.226  -4.148
  181    HB3  LYS  21           HB3      LYS  21 -13.459   6.021  -5.106
  182    HG2  LYS  21           HG2      LYS  21 -14.720   5.291  -3.312
  183    HG3  LYS  21           HG3      LYS  21 -13.579   5.921  -2.123
  184    HD2  LYS  21           HD2      LYS  21 -15.316   7.442  -1.982
  185    HD3  LYS  21           HD3      LYS  21 -14.224   8.235  -3.120
  186    HE2  LYS  21           HE2      LYS  21 -15.653   6.908  -4.890
  187    HE3  LYS  21           HE3      LYS  21 -16.855   6.922  -3.601
  188    HZ1  LYS  21           HZ1      LYS  21 -15.607   9.254  -4.936
  189    HZ2  LYS  21           HZ2      LYS  21 -16.501   9.387  -3.506
  190    HZ3  LYS  21           HZ3      LYS  21 -17.242   8.822  -4.918
  191    H    GLN  22           H        GLN  22 -11.839   4.027  -6.182
  192    HA   GLN  22           HA       GLN  22 -13.389   1.750  -5.247
  193    HB2  GLN  22           HB2      GLN  22 -12.437   2.622  -7.971
  194    HB3  GLN  22           HB3      GLN  22 -13.218   1.070  -7.697
  195    HG2  GLN  22           HG2      GLN  22 -14.386   3.810  -7.312
  196    HG3  GLN  22           HG3      GLN  22 -14.869   2.580  -8.478
  197   HE21  GLN  22          HE21      GLN  22 -16.208   4.040  -6.162
  198   HE22  GLN  22          HE22      GLN  22 -16.975   2.775  -5.271
  199    H    ILE  23           H        ILE  23 -10.291   2.280  -6.929
  200    HA   ILE  23           HA       ILE  23  -9.358  -0.315  -6.958
  201    HB   ILE  23           HB       ILE  23  -7.724   2.190  -6.536
  202   HG12  ILE  23          HG12      ILE  23  -7.835   0.860  -9.172
  203   HG13  ILE  23          HG13      ILE  23  -9.327   1.637  -8.658
  204   HG21  ILE  23          HG21      ILE  23  -6.410   0.268  -5.959
  205   HG22  ILE  23          HG22      ILE  23  -6.923  -0.576  -7.419
  206   HG23  ILE  23          HG23      ILE  23  -5.889   0.847  -7.541
  207   HD11  ILE  23          HD11      ILE  23  -6.789   2.807  -9.522
  208   HD12  ILE  23          HD12      ILE  23  -8.430   3.449  -9.608
  209   HD13  ILE  23          HD13      ILE  23  -7.513   3.571  -8.107
  210    H    MET  24           H        MET  24  -8.626   2.141  -4.472
  211    HA   MET  24           HA       MET  24  -7.239   0.469  -2.730
  212    HB2  MET  24           HB2      MET  24  -7.297   2.935  -2.555
  213    HB3  MET  24           HB3      MET  24  -8.967   2.844  -2.010
  214    HG2  MET  24           HG2      MET  24  -7.561   3.157  -0.110
  215    HG3  MET  24           HG3      MET  24  -8.210   1.520  -0.062
  216    HE1  MET  24           HE1      MET  24  -5.546   1.597   1.887
  217    HE2  MET  24           HE2      MET  24  -6.883   0.538   1.438
  218    HE3  MET  24           HE3      MET  24  -5.218  -0.007   1.229
  219    H    GLN  25           H        GLN  25 -10.627   0.731  -3.353
  220    HA   GLN  25           HA       GLN  25 -11.437  -0.570  -0.908
  221    HB2  GLN  25           HB2      GLN  25 -12.792   0.564  -3.288
  222    HB3  GLN  25           HB3      GLN  25 -13.632  -0.739  -2.457
  223    HG2  GLN  25           HG2      GLN  25 -12.596   1.691  -1.030
  224    HG3  GLN  25           HG3      GLN  25 -14.205   1.614  -1.748
  225   HE21  GLN  25          HE21      GLN  25 -14.067   2.104   0.867
  226   HE22  GLN  25          HE22      GLN  25 -14.550   0.725   1.789
  227    H    PHE  26           H        PHE  26 -10.670  -1.482  -4.181
  228    HA   PHE  26           HA       PHE  26 -11.837  -4.091  -4.043
  229    HB2  PHE  26           HB2      PHE  26  -9.835  -2.854  -5.937
  230    HB3  PHE  26           HB3      PHE  26 -10.453  -4.493  -6.118
  231    HD1  PHE  26           HD1      PHE  26 -13.270  -4.220  -5.496
  232    HD2  PHE  26           HD2      PHE  26 -10.705  -1.610  -7.671
  233    HE1  PHE  26           HE1      PHE  26 -15.210  -3.352  -6.736
  234    HE2  PHE  26           HE2      PHE  26 -12.640  -0.738  -8.913
  235    HZ   PHE  26           HZ       PHE  26 -14.897  -1.608  -8.446
  236    H    ILE  27           H        ILE  27  -8.703  -2.708  -3.335
  237    HA   ILE  27           HA       ILE  27  -7.157  -5.030  -3.244
  238    HB   ILE  27           HB       ILE  27  -6.894  -2.564  -1.519
  239   HG12  ILE  27          HG12      ILE  27  -5.307  -3.196  -3.995
  240   HG13  ILE  27          HG13      ILE  27  -6.858  -2.370  -4.100
  241   HG21  ILE  27          HG21      ILE  27  -5.473  -5.039  -1.496
  242   HG22  ILE  27          HG22      ILE  27  -4.395  -3.757  -2.048
  243   HG23  ILE  27          HG23      ILE  27  -5.223  -3.606  -0.498
  244   HD11  ILE  27          HD11      ILE  27  -5.538  -0.551  -3.987
  245   HD12  ILE  27          HD12      ILE  27  -5.675  -0.844  -2.253
  246   HD13  ILE  27          HD13      ILE  27  -4.251  -1.400  -3.132
  247    H    GLY  28           H        GLY  28  -8.387  -3.304  -0.370
  248    HA2  GLY  28           HA2      GLY  28  -7.944  -5.325   1.468
  249    HA3  GLY  28           HA3      GLY  28  -9.183  -4.090   1.635
  250    H    GLN  29           H        GLN  29 -10.538  -5.008  -0.841
  251    HA   GLN  29           HA       GLN  29 -12.365  -6.792   0.355
  252    HB2  GLN  29           HB2      GLN  29 -13.142  -5.329  -1.369
  253    HB3  GLN  29           HB3      GLN  29 -11.957  -5.948  -2.512
  254    HG2  GLN  29           HG2      GLN  29 -13.181  -7.780  -3.008
  255    HG3  GLN  29           HG3      GLN  29 -13.850  -7.910  -1.382
  256   HE21  GLN  29          HE21      GLN  29 -13.879  -5.328  -3.813
  257   HE22  GLN  29          HE22      GLN  29 -15.598  -5.157  -3.861
  258    H    GLY  30           H        GLY  30  -9.531  -7.275  -1.625
  259    HA2  GLY  30           HA2      GLY  30  -8.340  -9.367  -1.456
  260    HA3  GLY  30           HA3      GLY  30  -9.889 -10.182  -1.294
  261    H    TRP  31           H        TRP  31  -9.250  -7.677  -3.662
  262    HA   TRP  31           HA       TRP  31  -9.953  -9.524  -5.783
  263    HB2  TRP  31           HB2      TRP  31  -9.698  -6.571  -5.515
  264    HB3  TRP  31           HB3      TRP  31  -9.465  -7.260  -7.120
  265    HD1  TRP  31           HD1      TRP  31 -12.003  -8.924  -4.839
  266    HE1  TRP  31           HE1      TRP  31 -14.369  -8.477  -5.748
  267    HE3  TRP  31           HE3      TRP  31 -10.851  -5.495  -8.451
  268    HZ2  TRP  31           HZ2      TRP  31 -15.586  -6.883  -7.735
  269    HZ3  TRP  31           HZ3      TRP  31 -12.674  -4.558  -9.813
  270    HH2  TRP  31           HH2      TRP  31 -14.991  -5.239  -9.461
  271    H    THR  32           H        THR  32  -8.673  -9.763  -7.718
  272    HA   THR  32           HA       THR  32  -5.865 -10.076  -7.100
  273    HB   THR  32           HB       THR  32  -5.694 -11.178  -9.282
  274    HG1  THR  32           HG1      THR  32  -7.395 -11.218 -10.682
  275   HG21  THR  32          HG21      THR  32  -7.303 -12.026  -7.100
  276   HG22  THR  32          HG22      THR  32  -6.397 -13.018  -8.243
  277   HG23  THR  32          HG23      THR  32  -8.071 -12.582  -8.586
  278    H    ILE  33           H        ILE  33  -4.156  -9.276  -8.464
  279    HA   ILE  33           HA       ILE  33  -4.274  -6.532  -8.949
  280    HB   ILE  33           HB       ILE  33  -2.350  -8.499 -10.193
  281   HG12  ILE  33          HG12      ILE  33  -1.055  -7.258  -8.100
  282   HG13  ILE  33          HG13      ILE  33  -2.675  -7.502  -7.457
  283   HG21  ILE  33          HG21      ILE  33  -2.298  -6.322 -11.268
  284   HG22  ILE  33          HG22      ILE  33  -2.119  -5.534  -9.701
  285   HG23  ILE  33          HG23      ILE  33  -0.834  -6.573 -10.317
  286   HD11  ILE  33          HD11      ILE  33  -0.607  -9.343  -7.527
  287   HD12  ILE  33          HD12      ILE  33  -2.300  -9.660  -7.144
  288   HD13  ILE  33          HD13      ILE  33  -1.716  -9.867  -8.795
  289    H    ASP  34           H        ASP  34  -5.179  -9.203 -10.943
  290    HA   ASP  34           HA       ASP  34  -5.174  -7.655 -13.394
  291    HB2  ASP  34           HB2      ASP  34  -6.241 -10.435 -12.856
  292    HB3  ASP  34           HB3      ASP  34  -6.033  -9.696 -14.441
  293    H    GLN  35           H        GLN  35  -7.399  -8.583 -10.896
  294    HA   GLN  35           HA       GLN  35  -9.828  -8.241 -12.246
  295    HB2  GLN  35           HB2      GLN  35  -8.935  -8.414  -9.467
  296    HB3  GLN  35           HB3      GLN  35 -10.353  -7.395  -9.673
  297    HG2  GLN  35           HG2      GLN  35 -10.134 -10.208 -10.712
  298    HG3  GLN  35           HG3      GLN  35 -10.852  -9.774  -9.162
  299   HE21  GLN  35          HE21      GLN  35 -11.781 -10.836 -11.930
  300   HE22  GLN  35          HE22      GLN  35 -13.220  -9.925 -12.221
  301    H    ILE  36           H        ILE  36  -7.852  -5.915 -10.434
  302    HA   ILE  36           HA       ILE  36  -9.628  -3.726 -10.879
  303    HB   ILE  36           HB       ILE  36  -6.719  -3.721 -10.063
  304   HG12  ILE  36          HG12      ILE  36  -8.026  -3.035  -7.838
  305   HG13  ILE  36          HG13      ILE  36  -9.296  -3.993  -8.592
  306   HG21  ILE  36          HG21      ILE  36  -6.807  -1.527 -10.432
  307   HG22  ILE  36          HG22      ILE  36  -8.542  -1.578 -10.739
  308   HG23  ILE  36          HG23      ILE  36  -7.943  -1.432  -9.087
  309   HD11  ILE  36          HD11      ILE  36  -8.122  -5.944  -8.401
  310   HD12  ILE  36          HD12      ILE  36  -6.556  -5.132  -8.398
  311   HD13  ILE  36          HD13      ILE  36  -7.577  -5.085  -6.961
  312    H    GLU  37           H        GLU  37  -6.425  -4.543 -12.220
  313    HA   GLU  37           HA       GLU  37  -6.168  -2.471 -14.021
  314    HB2  GLU  37           HB2      GLU  37  -5.127  -5.251 -13.883
  315    HB3  GLU  37           HB3      GLU  37  -4.972  -4.413 -15.421
  316    HG2  GLU  37           HG2      GLU  37  -4.101  -3.012 -12.951
  317    HG3  GLU  37           HG3      GLU  37  -3.086  -4.300 -13.598
  318    H    LYS  38           H        LYS  38  -8.145  -5.335 -14.232
  319    HA   LYS  38           HA       LYS  38  -8.836  -4.796 -17.014
  320    HB2  LYS  38           HB2      LYS  38  -9.536  -7.023 -15.106
  321    HB3  LYS  38           HB3      LYS  38 -10.293  -6.866 -16.685
  322    HG2  LYS  38           HG2      LYS  38  -7.317  -7.048 -16.304
  323    HG3  LYS  38           HG3      LYS  38  -8.353  -8.456 -16.548
  324    HD2  LYS  38           HD2      LYS  38  -8.503  -6.169 -18.463
  325    HD3  LYS  38           HD3      LYS  38  -7.167  -7.316 -18.584
  326    HE2  LYS  38           HE2      LYS  38  -8.626  -9.124 -18.986
  327    HE3  LYS  38           HE3      LYS  38 -10.037  -8.202 -18.471
  328    HZ1  LYS  38           HZ1      LYS  38  -9.869  -8.453 -20.900
  329    HZ2  LYS  38           HZ2      LYS  38  -8.418  -7.584 -20.881
  330    HZ3  LYS  38           HZ3      LYS  38  -9.860  -6.833 -20.413
  331    H    TRP  39           H        TRP  39 -10.076  -4.336 -13.819
  332    HA   TRP  39           HA       TRP  39 -12.812  -3.979 -14.543
  333    HB2  TRP  39           HB2      TRP  39 -12.287  -4.554 -12.267
  334    HB3  TRP  39           HB3      TRP  39 -11.242  -3.147 -12.099
  335    HD1  TRP  39           HD1      TRP  39 -14.904  -4.183 -12.030
  336    HE1  TRP  39           HE1      TRP  39 -16.310  -2.220 -11.138
  337    HE3  TRP  39           HE3      TRP  39 -11.298  -0.560 -11.978
  338    HZ2  TRP  39           HZ2      TRP  39 -15.940   0.504 -10.499
  339    HZ3  TRP  39           HZ3      TRP  39 -11.906   1.699 -11.213
  340    HH2  TRP  39           HH2      TRP  39 -14.180   2.217 -10.490
  341    H    LEU  40           H        LEU  40 -10.108  -1.763 -13.946
  342    HA   LEU  40           HA       LEU  40 -11.670   0.583 -14.462
  343    HB2  LEU  40           HB2      LEU  40  -9.785   0.743 -12.990
  344    HB3  LEU  40           HB3      LEU  40  -8.702   0.125 -14.235
  345    HG   LEU  40           HG       LEU  40  -8.890   2.160 -15.493
  346   HD11  LEU  40          HD11      LEU  40 -11.251   2.621 -15.066
  347   HD12  LEU  40          HD12      LEU  40 -10.249   4.037 -14.747
  348   HD13  LEU  40          HD13      LEU  40 -10.864   3.072 -13.405
  349   HD21  LEU  40          HD21      LEU  40  -7.752   1.969 -12.956
  350   HD22  LEU  40          HD22      LEU  40  -8.562   3.536 -12.979
  351   HD23  LEU  40          HD23      LEU  40  -7.363   3.145 -14.213
  352    H    LYS  41           H        LYS  41  -9.254  -1.277 -16.274
  353    HA   LYS  41           HA       LYS  41  -9.005   0.312 -18.518
  354    HB2  LYS  41           HB2      LYS  41  -8.755  -2.610 -17.999
  355    HB3  LYS  41           HB3      LYS  41  -8.801  -2.081 -19.676
  356    HG2  LYS  41           HG2      LYS  41  -6.895  -0.921 -17.665
  357    HG3  LYS  41           HG3      LYS  41  -6.516  -2.346 -18.637
  358    HD2  LYS  41           HD2      LYS  41  -7.459   0.188 -19.931
  359    HD3  LYS  41           HD3      LYS  41  -5.765  -0.020 -19.481
  360    HE2  LYS  41           HE2      LYS  41  -7.246  -2.041 -21.141
  361    HE3  LYS  41           HE3      LYS  41  -6.431  -0.654 -21.860
  362    HZ1  LYS  41           HZ1      LYS  41  -4.533  -1.758 -21.758
  363    HZ2  LYS  41           HZ2      LYS  41  -5.316  -3.093 -21.076
  364    HZ3  LYS  41           HZ3      LYS  41  -4.663  -1.894 -20.077
  365    H    ARG  42           H        ARG  42 -11.562  -1.954 -17.679
  366    HA   ARG  42           HA       ARG  42 -12.876  -1.704 -20.233
  367    HB2  ARG  42           HB2      ARG  42 -13.032  -3.786 -18.945
  368    HB3  ARG  42           HB3      ARG  42 -13.833  -2.925 -17.638
  369    HG2  ARG  42           HG2      ARG  42 -15.780  -2.591 -18.905
  370    HG3  ARG  42           HG3      ARG  42 -14.968  -3.019 -20.412
  371    HD2  ARG  42           HD2      ARG  42 -16.381  -4.845 -19.724
  372    HD3  ARG  42           HD3      ARG  42 -14.691  -5.324 -19.563
  373    HE   ARG  42           HE       ARG  42 -15.008  -5.537 -17.309
  374   HH11  ARG  42          HH11      ARG  42 -17.621  -3.668 -18.649
  375   HH12  ARG  42          HH12      ARG  42 -18.533  -3.644 -17.176
  376   HH21  ARG  42          HH21      ARG  42 -16.198  -5.512 -15.363
  377   HH22  ARG  42          HH22      ARG  42 -17.722  -4.693 -15.307
  378    H    HIS  43           H        HIS  43 -13.023  -0.165 -17.121
  379    HA   HIS  43           HA       HIS  43 -15.418   1.330 -17.941
  380    HB2  HIS  43           HB2      HIS  43 -14.247   0.619 -15.283
  381    HB3  HIS  43           HB3      HIS  43 -15.219   2.081 -15.419
  382    HD1  HIS  43           HD1      HIS  43 -17.749   1.778 -15.923
  383    HD2  HIS  43           HD2      HIS  43 -15.660  -1.779 -15.429
  384    HE1  HIS  43           HE1      HIS  43 -19.505  -0.001 -15.653
  Start of MODEL   17
    1    HCN  FME   1           HF       FME   1   0.405   2.098   1.004
    2    HA   FME   1           HA       FME   1   1.103   1.257  -2.468
    3    HB2  FME   1           HB2      FME   1   3.908   2.359  -2.147
    4    HB3  FME   1           HB3      FME   1   2.473   3.338  -1.683
    5    HG2  FME   1           HG2      FME   1   1.496   2.952  -4.011
    6    HG3  FME   1           HG3      FME   1   3.019   2.114  -4.481
    7    HE1  FME   1           HE8      FME   1   5.140   2.842  -4.227
    8    HE2  FME   1           HE2      FME   1   5.815   4.519  -4.122
    9    HE3  FME   1           HE3      FME   1   5.134   3.905  -5.692
   10    H    GLY   2           H        GLY   2   1.183  -1.091  -1.425
   11    HA2  GLY   2           HA2      GLY   2   3.471  -2.411  -2.745
   12    HA3  GLY   2           HA3      GLY   2   2.548  -3.113  -1.424
   13    H    ALA   3           H        ALA   3   0.055  -3.143  -2.016
   14    HA   ALA   3           HA       ALA   3  -0.164  -4.931  -4.235
   15    HB1  ALA   3           HB1      ALA   3  -2.254  -3.745  -2.416
   16    HB2  ALA   3           HB2      ALA   3  -2.575  -4.978  -3.636
   17    HB3  ALA   3           HB3      ALA   3  -1.500  -5.334  -2.284
   18    H    ILE   4           H        ILE   4  -1.282  -1.631  -3.579
   19    HA   ILE   4           HA       ILE   4  -2.673  -1.312  -6.030
   20    HB   ILE   4           HB       ILE   4  -1.498   0.832  -4.255
   21   HG12  ILE   4          HG12      ILE   4  -4.201  -0.523  -4.247
   22   HG13  ILE   4          HG13      ILE   4  -2.999  -0.540  -2.961
   23   HG21  ILE   4          HG21      ILE   4  -2.082   1.578  -6.533
   24   HG22  ILE   4          HG22      ILE   4  -3.727   1.000  -6.278
   25   HG23  ILE   4          HG23      ILE   4  -3.094   2.320  -5.295
   26   HD11  ILE   4          HD11      ILE   4  -4.571   1.843  -3.906
   27   HD12  ILE   4          HD12      ILE   4  -4.800   0.955  -2.399
   28   HD13  ILE   4          HD13      ILE   4  -3.320   1.876  -2.664
   29    H    ALA   5           H        ALA   5   0.656  -0.935  -5.086
   30    HA   ALA   5           HA       ALA   5   1.651   0.750  -7.030
   31    HB1  ALA   5           HB1      ALA   5   3.258  -1.659  -6.394
   32    HB2  ALA   5           HB2      ALA   5   3.719   0.043  -6.400
   33    HB3  ALA   5           HB3      ALA   5   2.788  -0.614  -5.054
   34    H    LYS   6           H        LYS   6   0.778  -2.648  -7.288
   35    HA   LYS   6           HA       LYS   6   1.926  -3.166  -9.802
   36    HB2  LYS   6           HB2      LYS   6  -0.576  -4.414  -8.656
   37    HB3  LYS   6           HB3      LYS   6   0.472  -5.100  -9.890
   38    HG2  LYS   6           HG2      LYS   6   1.411  -4.489  -7.102
   39    HG3  LYS   6           HG3      LYS   6   0.725  -6.045  -7.574
   40    HD2  LYS   6           HD2      LYS   6   3.057  -4.802  -9.012
   41    HD3  LYS   6           HD3      LYS   6   3.260  -5.854  -7.610
   42    HE2  LYS   6           HE2      LYS   6   1.674  -7.433  -9.012
   43    HE3  LYS   6           HE3      LYS   6   2.321  -6.499 -10.360
   44    HZ1  LYS   6           HZ1      LYS   6   4.440  -7.239  -8.680
   45    HZ2  LYS   6           HZ2      LYS   6   4.156  -7.707 -10.280
   46    HZ3  LYS   6           HZ3      LYS   6   3.523  -8.623  -9.007
   47    H    LEU   7           H        LEU   7  -1.120  -1.707  -8.859
   48    HA   LEU   7           HA       LEU   7  -2.163  -1.693 -11.551
   49    HB2  LEU   7           HB2      LEU   7  -3.243  -0.025  -9.316
   50    HB3  LEU   7           HB3      LEU   7  -4.101  -0.768 -10.665
   51    HG   LEU   7           HG       LEU   7  -2.905  -2.328  -8.380
   52   HD11  LEU   7          HD11      LEU   7  -5.438  -2.560  -7.831
   53   HD12  LEU   7          HD12      LEU   7  -5.576  -1.035  -8.706
   54   HD13  LEU   7          HD13      LEU   7  -4.545  -1.143  -7.279
   55   HD21  LEU   7          HD21      LEU   7  -4.836  -3.876  -9.350
   56   HD22  LEU   7          HD22      LEU   7  -3.193  -3.904  -9.991
   57   HD23  LEU   7          HD23      LEU   7  -4.449  -2.986 -10.823
   58    H    VAL   8           H        VAL   8  -0.803   0.670  -9.288
   59    HA   VAL   8           HA       VAL   8  -1.128   2.934 -10.941
   60    HB   VAL   8           HB       VAL   8   0.910   2.442  -8.765
   61   HG11  VAL   8          HG11      VAL   8   1.837   4.336  -9.499
   62   HG12  VAL   8          HG12      VAL   8   0.480   4.682 -10.572
   63   HG13  VAL   8          HG13      VAL   8   0.402   5.147  -8.872
   64   HG21  VAL   8          HG21      VAL   8  -0.663   2.928  -7.250
   65   HG22  VAL   8          HG22      VAL   8  -1.318   4.246  -8.221
   66   HG23  VAL   8          HG23      VAL   8  -1.822   2.585  -8.534
   67    H    ALA   9           H        ALA   9   1.192   0.368 -10.917
   68    HA   ALA   9           HA       ALA   9   3.366   1.588 -12.175
   69    HB1  ALA   9           HB1      ALA   9   2.420  -1.160 -11.768
   70    HB2  ALA   9           HB2      ALA   9   3.466  -0.935 -13.170
   71    HB3  ALA   9           HB3      ALA   9   4.030  -0.469 -11.565
   72    H    LYS  10           H        LYS  10   0.265   0.736 -13.400
   73    HA   LYS  10           HA       LYS  10   1.187   1.288 -16.145
   74    HB2  LYS  10           HB2      LYS  10  -1.263  -0.286 -15.335
   75    HB3  LYS  10           HB3      LYS  10  -0.647  -0.064 -16.967
   76    HG2  LYS  10           HG2      LYS  10   0.901  -1.448 -14.792
   77    HG3  LYS  10           HG3      LYS  10  -0.164  -2.288 -15.921
   78    HD2  LYS  10           HD2      LYS  10   1.165  -1.567 -17.793
   79    HD3  LYS  10           HD3      LYS  10   2.158  -0.549 -16.748
   80    HE2  LYS  10           HE2      LYS  10   3.226  -2.709 -17.379
   81    HE3  LYS  10           HE3      LYS  10   3.072  -2.462 -15.641
   82    HZ1  LYS  10           HZ1      LYS  10   1.628  -4.156 -15.439
   83    HZ2  LYS  10           HZ2      LYS  10   2.337  -4.696 -16.876
   84    HZ3  LYS  10           HZ3      LYS  10   0.870  -3.856 -16.921
   85    H    PHE  11           H        PHE  11  -1.057   2.081 -13.618
   86    HA   PHE  11           HA       PHE  11  -2.652   3.806 -15.318
   87    HB2  PHE  11           HB2      PHE  11  -2.726   3.286 -12.340
   88    HB3  PHE  11           HB3      PHE  11  -3.849   4.342 -13.189
   89    HD1  PHE  11           HD1      PHE  11  -4.369   2.795 -15.634
   90    HD2  PHE  11           HD2      PHE  11  -4.033   1.528 -11.585
   91    HE1  PHE  11           HE1      PHE  11  -5.816   0.866 -16.122
   92    HE2  PHE  11           HE2      PHE  11  -5.479  -0.404 -12.066
   93    HZ   PHE  11           HZ       PHE  11  -6.372  -0.737 -14.337
   94    H    GLY  12           H        GLY  12  -0.751   4.305 -12.334
   95    HA2  GLY  12           HA2      GLY  12   0.997   6.010 -12.324
   96    HA3  GLY  12           HA3      GLY  12  -0.026   6.968 -13.385
   97    H    TRP  13           H        TRP  13   0.908   8.253 -11.268
   98    HA   TRP  13           HA       TRP  13  -0.651   8.031  -8.910
   99    HB2  TRP  13           HB2      TRP  13   0.604  10.628  -9.700
  100    HB3  TRP  13           HB3      TRP  13   0.541   9.849  -8.121
  101    HD1  TRP  13           HD1      TRP  13   2.963  10.658 -10.659
  102    HE1  TRP  13           HE1      TRP  13   5.039   9.142 -10.529
  103    HE3  TRP  13           HE3      TRP  13   1.084   6.965  -7.665
  104    HZ2  TRP  13           HZ2      TRP  13   5.781   6.702  -9.317
  105    HZ3  TRP  13           HZ3      TRP  13   2.541   5.075  -7.068
  106    HH2  TRP  13           HH2      TRP  13   4.841   4.948  -7.878
  107    HA   PRO  14           HA       PRO  14  -3.094  11.785 -10.766
  108    HB2  PRO  14           HB2      PRO  14  -2.813  12.213 -13.432
  109    HB3  PRO  14           HB3      PRO  14  -1.777  12.979 -12.222
  110    HG2  PRO  14           HG2      PRO  14  -1.245  10.572 -13.920
  111    HG3  PRO  14           HG3      PRO  14  -0.166  11.923 -13.524
  112    HD2  PRO  14           HD2      PRO  14  -0.023   9.527 -12.270
  113    HD3  PRO  14           HD3      PRO  14   0.365  11.056 -11.455
  114    H    PHE  15           H        PHE  15  -2.716   8.680 -12.074
  115    HA   PHE  15           HA       PHE  15  -5.362   8.722 -13.340
  116    HB2  PHE  15           HB2      PHE  15  -3.149   7.706 -14.376
  117    HB3  PHE  15           HB3      PHE  15  -3.598   6.312 -13.398
  118    HD1  PHE  15           HD1      PHE  15  -5.680   5.101 -13.846
  119    HD2  PHE  15           HD2      PHE  15  -4.383   8.307 -16.326
  120    HE1  PHE  15           HE1      PHE  15  -7.247   4.374 -15.598
  121    HE2  PHE  15           HE2      PHE  15  -5.948   7.586 -18.082
  122    HZ   PHE  15           HZ       PHE  15  -7.383   5.618 -17.720
  123    H    ILE  16           H        ILE  16  -3.476   7.031 -10.873
  124    HA   ILE  16           HA       ILE  16  -5.547   5.246 -10.104
  125    HB   ILE  16           HB       ILE  16  -3.110   4.910  -9.619
  126   HG12  ILE  16          HG12      ILE  16  -3.651   4.272  -7.090
  127   HG13  ILE  16          HG13      ILE  16  -5.293   4.641  -7.605
  128   HG21  ILE  16          HG21      ILE  16  -2.639   7.203  -8.866
  129   HG22  ILE  16          HG22      ILE  16  -3.610   6.915  -7.423
  130   HG23  ILE  16          HG23      ILE  16  -2.128   5.996  -7.687
  131   HD11  ILE  16          HD11      ILE  16  -3.659   2.823  -9.289
  132   HD12  ILE  16          HD12      ILE  16  -4.321   2.214  -7.772
  133   HD13  ILE  16          HD13      ILE  16  -5.400   2.853  -9.012
  134    H    LYS  17           H        LYS  17  -4.691   8.504  -9.194
  135    HA   LYS  17           HA       LYS  17  -6.278   8.603  -6.825
  136    HB2  LYS  17           HB2      LYS  17  -5.828  10.959  -6.818
  137    HB3  LYS  17           HB3      LYS  17  -4.359  10.130  -7.315
  138    HG2  LYS  17           HG2      LYS  17  -4.277  11.376  -9.137
  139    HG3  LYS  17           HG3      LYS  17  -5.834  10.726  -9.655
  140    HD2  LYS  17           HD2      LYS  17  -6.212  13.021  -9.592
  141    HD3  LYS  17           HD3      LYS  17  -6.842  12.469  -8.038
  142    HE2  LYS  17           HE2      LYS  17  -5.583  14.337  -7.468
  143    HE3  LYS  17           HE3      LYS  17  -4.483  12.997  -7.145
  144    HZ1  LYS  17           HZ1      LYS  17  -3.523  14.940  -8.388
  145    HZ2  LYS  17           HZ2      LYS  17  -4.477  14.482  -9.707
  146    HZ3  LYS  17           HZ3      LYS  17  -3.295  13.428  -9.113
  147    H    LYS  18           H        LYS  18  -6.966   8.805 -10.172
  148    HA   LYS  18           HA       LYS  18  -9.245  10.447 -10.153
  149    HB2  LYS  18           HB2      LYS  18  -7.970   9.625 -12.177
  150    HB3  LYS  18           HB3      LYS  18  -8.789   8.083 -11.975
  151    HG2  LYS  18           HG2      LYS  18  -9.997   9.256 -13.615
  152    HG3  LYS  18           HG3      LYS  18 -10.963   9.353 -12.141
  153    HD2  LYS  18           HD2      LYS  18 -10.211  11.598 -11.730
  154    HD3  LYS  18           HD3      LYS  18  -9.064  11.506 -13.068
  155    HE2  LYS  18           HE2      LYS  18 -11.986  11.082 -13.551
  156    HE3  LYS  18           HE3      LYS  18 -11.340  12.716 -13.403
  157    HZ1  LYS  18           HZ1      LYS  18 -10.203  12.544 -15.344
  158    HZ2  LYS  18           HZ2      LYS  18 -11.469  11.484 -15.708
  159    HZ3  LYS  18           HZ3      LYS  18  -9.971  10.873 -15.213
  160    H    PHE  19           H        PHE  19  -8.859   6.964  -9.664
  161    HA   PHE  19           HA       PHE  19 -11.574   6.905  -8.539
  162    HB2  PHE  19           HB2      PHE  19 -10.356   4.890 -10.434
  163    HB3  PHE  19           HB3      PHE  19 -11.825   4.598  -9.508
  164    HD1  PHE  19           HD1      PHE  19 -10.322   6.671 -12.160
  165    HD2  PHE  19           HD2      PHE  19 -13.905   5.488 -10.191
  166    HE1  PHE  19           HE1      PHE  19 -11.647   7.738 -13.938
  167    HE2  PHE  19           HE2      PHE  19 -15.236   6.552 -11.966
  168    HZ   PHE  19           HZ       PHE  19 -14.107   7.678 -13.843
  169    H    TYR  20           H        TYR  20  -9.098   7.188  -7.163
  170    HA   TYR  20           HA       TYR  20  -8.080   4.770  -6.164
  171    HB2  TYR  20           HB2      TYR  20  -6.838   6.803  -5.850
  172    HB3  TYR  20           HB3      TYR  20  -8.163   7.538  -4.955
  173    HD1  TYR  20           HD2      TYR  20  -5.424   5.099  -4.808
  174    HD2  TYR  20           HD1      TYR  20  -8.544   7.004  -2.632
  175    HE1  TYR  20           HE2      TYR  20  -4.450   4.277  -2.704
  176    HE2  TYR  20           HE1      TYR  20  -7.578   6.189  -0.522
  177    HH   TYR  20           HH       TYR  20  -4.608   4.237  -0.494
  178    H    LYS  21           H        LYS  21 -10.951   6.554  -5.414
  179    HA   LYS  21           HA       LYS  21 -11.485   5.561  -2.841
  180    HB2  LYS  21           HB2      LYS  21 -12.702   7.456  -3.770
  181    HB3  LYS  21           HB3      LYS  21 -13.396   6.430  -5.018
  182    HG2  LYS  21           HG2      LYS  21 -14.602   5.163  -3.321
  183    HG3  LYS  21           HG3      LYS  21 -13.888   6.168  -2.057
  184    HD2  LYS  21           HD2      LYS  21 -15.137   8.023  -2.645
  185    HD3  LYS  21           HD3      LYS  21 -15.398   7.452  -4.295
  186    HE2  LYS  21           HE2      LYS  21 -16.556   6.013  -1.929
  187    HE3  LYS  21           HE3      LYS  21 -17.379   7.388  -2.664
  188    HZ1  LYS  21           HZ1      LYS  21 -17.822   4.928  -3.444
  189    HZ2  LYS  21           HZ2      LYS  21 -16.485   5.239  -4.432
  190    HZ3  LYS  21           HZ3      LYS  21 -17.858   6.221  -4.535
  191    H    GLN  22           H        GLN  22 -12.250   4.296  -6.050
  192    HA   GLN  22           HA       GLN  22 -13.647   2.013  -4.944
  193    HB2  GLN  22           HB2      GLN  22 -14.208   3.222  -7.144
  194    HB3  GLN  22           HB3      GLN  22 -12.838   2.354  -7.822
  195    HG2  GLN  22           HG2      GLN  22 -14.528   0.934  -8.370
  196    HG3  GLN  22           HG3      GLN  22 -14.062   0.270  -6.806
  197   HE21  GLN  22          HE21      GLN  22 -15.927  -0.518  -6.057
  198   HE22  GLN  22          HE22      GLN  22 -17.370   0.403  -5.826
  199    H    ILE  23           H        ILE  23 -10.613   2.652  -6.661
  200    HA   ILE  23           HA       ILE  23  -9.704   0.035  -6.914
  201    HB   ILE  23           HB       ILE  23  -8.060   2.526  -6.452
  202   HG12  ILE  23          HG12      ILE  23  -8.343   1.267  -9.128
  203   HG13  ILE  23          HG13      ILE  23  -9.745   2.131  -8.506
  204   HG21  ILE  23          HG21      ILE  23  -6.686   0.631  -6.015
  205   HG22  ILE  23          HG22      ILE  23  -7.297  -0.213  -7.437
  206   HG23  ILE  23          HG23      ILE  23  -6.279   1.214  -7.629
  207   HD11  ILE  23          HD11      ILE  23  -7.282   3.151  -9.617
  208   HD12  ILE  23          HD12      ILE  23  -8.822   3.965  -9.337
  209   HD13  ILE  23          HD13      ILE  23  -7.635   3.853  -8.038
  210    H    MET  24           H        MET  24  -8.768   2.373  -4.381
  211    HA   MET  24           HA       MET  24  -7.354   0.596  -2.778
  212    HB2  MET  24           HB2      MET  24  -7.160   2.939  -2.369
  213    HB3  MET  24           HB3      MET  24  -8.888   3.098  -2.083
  214    HG2  MET  24           HG2      MET  24  -7.609   3.206  -0.012
  215    HG3  MET  24           HG3      MET  24  -8.699   1.822  -0.038
  216    HE1  MET  24           HE1      MET  24  -7.626   0.929   1.916
  217    HE2  MET  24           HE2      MET  24  -6.116   0.018   1.949
  218    HE3  MET  24           HE3      MET  24  -6.094   1.771   2.152
  219    H    GLN  25           H        GLN  25 -10.766   1.004  -3.181
  220    HA   GLN  25           HA       GLN  25 -11.543  -0.275  -0.744
  221    HB2  GLN  25           HB2      GLN  25 -12.901   0.740  -3.171
  222    HB3  GLN  25           HB3      GLN  25 -13.724  -0.555  -2.311
  223    HG2  GLN  25           HG2      GLN  25 -12.793   2.004  -1.033
  224    HG3  GLN  25           HG3      GLN  25 -14.425   1.724  -1.637
  225   HE21  GLN  25          HE21      GLN  25 -13.750   2.371   1.029
  226   HE22  GLN  25          HE22      GLN  25 -14.207   1.038   2.030
  227    H    PHE  26           H        PHE  26 -10.636  -1.343  -3.910
  228    HA   PHE  26           HA       PHE  26 -11.819  -3.944  -3.719
  229    HB2  PHE  26           HB2      PHE  26  -9.750  -2.750  -5.562
  230    HB3  PHE  26           HB3      PHE  26 -10.266  -4.429  -5.680
  231    HD1  PHE  26           HD1      PHE  26 -13.133  -4.255  -5.207
  232    HD2  PHE  26           HD2      PHE  26 -10.575  -1.687  -7.437
  233    HE1  PHE  26           HE1      PHE  26 -15.042  -3.571  -6.601
  234    HE2  PHE  26           HE2      PHE  26 -12.479  -0.998  -8.835
  235    HZ   PHE  26           HZ       PHE  26 -14.716  -1.940  -8.417
  236    H    ILE  27           H        ILE  27  -8.579  -2.613  -3.209
  237    HA   ILE  27           HA       ILE  27  -7.148  -4.942  -2.803
  238    HB   ILE  27           HB       ILE  27  -6.812  -2.335  -1.313
  239   HG12  ILE  27          HG12      ILE  27  -6.745  -2.073  -3.760
  240   HG13  ILE  27          HG13      ILE  27  -5.163  -1.797  -3.041
  241   HG21  ILE  27          HG21      ILE  27  -5.264  -4.847  -1.377
  242   HG22  ILE  27          HG22      ILE  27  -4.334  -3.353  -1.489
  243   HG23  ILE  27          HG23      ILE  27  -5.401  -3.627  -0.111
  244   HD11  ILE  27          HD11      ILE  27  -5.922  -3.643  -5.073
  245   HD12  ILE  27          HD12      ILE  27  -4.315  -3.271  -4.448
  246   HD13  ILE  27          HD13      ILE  27  -5.288  -4.529  -3.686
  247    H    GLY  28           H        GLY  28  -9.186  -3.164  -0.523
  248    HA2  GLY  28           HA2      GLY  28  -8.536  -4.830   1.714
  249    HA3  GLY  28           HA3      GLY  28  -9.850  -3.666   1.629
  250    H    GLN  29           H        GLN  29 -10.703  -5.131  -0.935
  251    HA   GLN  29           HA       GLN  29 -12.505  -6.942   0.413
  252    HB2  GLN  29           HB2      GLN  29 -13.465  -5.572  -1.294
  253    HB3  GLN  29           HB3      GLN  29 -12.242  -6.059  -2.460
  254    HG2  GLN  29           HG2      GLN  29 -14.321  -7.156  -2.956
  255    HG3  GLN  29           HG3      GLN  29 -13.137  -8.345  -2.417
  256   HE21  GLN  29          HE21      GLN  29 -16.152  -6.835  -1.795
  257   HE22  GLN  29          HE22      GLN  29 -16.586  -7.766  -0.405
  258    H    GLY  30           H        GLY  30  -9.612  -7.136  -1.486
  259    HA2  GLY  30           HA2      GLY  30  -8.246  -9.113  -1.339
  260    HA3  GLY  30           HA3      GLY  30  -9.717 -10.069  -1.238
  261    H    TRP  31           H        TRP  31  -9.658  -7.517  -3.542
  262    HA   TRP  31           HA       TRP  31 -10.036  -9.332  -5.706
  263    HB2  TRP  31           HB2      TRP  31  -9.915  -6.376  -5.382
  264    HB3  TRP  31           HB3      TRP  31  -9.635  -7.025  -6.996
  265    HD1  TRP  31           HD1      TRP  31 -12.138  -8.761  -4.703
  266    HE1  TRP  31           HE1      TRP  31 -14.506  -8.432  -5.658
  267    HE3  TRP  31           HE3      TRP  31 -11.061  -5.407  -8.408
  268    HZ2  TRP  31           HZ2      TRP  31 -15.751  -6.949  -7.712
  269    HZ3  TRP  31           HZ3      TRP  31 -12.897  -4.583  -9.824
  270    HH2  TRP  31           HH2      TRP  31 -15.193  -5.340  -9.481
  271    H    THR  32           H        THR  32  -8.658  -9.983  -7.289
  272    HA   THR  32           HA       THR  32  -5.889 -10.031  -6.740
  273    HB   THR  32           HB       THR  32  -5.613 -11.217  -8.788
  274    HG1  THR  32           HG1      THR  32  -6.869 -10.912 -10.498
  275   HG21  THR  32          HG21      THR  32  -6.910 -12.360  -6.980
  276   HG22  THR  32          HG22      THR  32  -7.240 -12.973  -8.601
  277   HG23  THR  32          HG23      THR  32  -8.389 -11.890  -7.816
  278    H    ILE  33           H        ILE  33  -4.209  -9.333  -8.354
  279    HA   ILE  33           HA       ILE  33  -4.319  -6.526  -8.684
  280    HB   ILE  33           HB       ILE  33  -2.379  -8.477  -9.931
  281   HG12  ILE  33          HG12      ILE  33  -1.042  -7.297  -7.881
  282   HG13  ILE  33          HG13      ILE  33  -2.667  -7.364  -7.209
  283   HG21  ILE  33          HG21      ILE  33  -2.368  -6.286 -11.009
  284   HG22  ILE  33          HG22      ILE  33  -2.137  -5.512  -9.442
  285   HG23  ILE  33          HG23      ILE  33  -0.881  -6.558 -10.102
  286   HD11  ILE  33          HD11      ILE  33  -0.817  -9.363  -7.099
  287   HD12  ILE  33          HD12      ILE  33  -2.557  -9.564  -6.885
  288   HD13  ILE  33          HD13      ILE  33  -1.822  -9.855  -8.462
  289    H    ASP  34           H        ASP  34  -5.143  -9.187 -10.745
  290    HA   ASP  34           HA       ASP  34  -5.140  -7.618 -13.171
  291    HB2  ASP  34           HB2      ASP  34  -6.101 -10.417 -12.554
  292    HB3  ASP  34           HB3      ASP  34  -6.196  -9.684 -14.153
  293    H    GLN  35           H        GLN  35  -7.389  -8.491 -10.679
  294    HA   GLN  35           HA       GLN  35  -9.818  -8.163 -12.001
  295    HB2  GLN  35           HB2      GLN  35  -8.961  -7.766  -9.152
  296    HB3  GLN  35           HB3      GLN  35 -10.603  -7.381  -9.649
  297    HG2  GLN  35           HG2      GLN  35  -9.477 -10.047 -10.339
  298    HG3  GLN  35           HG3      GLN  35  -9.999  -9.735  -8.685
  299   HE21  GLN  35          HE21      GLN  35 -10.968 -10.346 -11.911
  300   HE22  GLN  35          HE22      GLN  35 -12.672 -10.374 -11.634
  301    H    ILE  36           H        ILE  36  -7.771  -5.754 -10.394
  302    HA   ILE  36           HA       ILE  36  -9.542  -3.579 -10.991
  303    HB   ILE  36           HB       ILE  36  -6.657  -3.527 -10.096
  304   HG12  ILE  36          HG12      ILE  36  -8.008  -2.747  -7.935
  305   HG13  ILE  36          HG13      ILE  36  -9.267  -3.735  -8.669
  306   HG21  ILE  36          HG21      ILE  36  -6.836  -1.382 -10.759
  307   HG22  ILE  36          HG22      ILE  36  -8.598  -1.418 -10.757
  308   HG23  ILE  36          HG23      ILE  36  -7.719  -1.197  -9.244
  309   HD11  ILE  36          HD11      ILE  36  -8.107  -5.679  -8.364
  310   HD12  ILE  36          HD12      ILE  36  -6.537  -4.875  -8.373
  311   HD13  ILE  36          HD13      ILE  36  -7.581  -4.755  -6.957
  312    H    GLU  37           H        GLU  37  -6.400  -4.665 -12.255
  313    HA   GLU  37           HA       GLU  37  -5.948  -2.680 -14.121
  314    HB2  GLU  37           HB2      GLU  37  -5.230  -5.592 -14.039
  315    HB3  GLU  37           HB3      GLU  37  -4.818  -4.620 -15.445
  316    HG2  GLU  37           HG2      GLU  37  -3.787  -3.013 -13.660
  317    HG3  GLU  37           HG3      GLU  37  -3.776  -4.466 -12.661
  318    H    LYS  38           H        LYS  38  -8.189  -5.343 -14.233
  319    HA   LYS  38           HA       LYS  38  -8.836  -4.797 -17.033
  320    HB2  LYS  38           HB2      LYS  38  -8.568  -7.143 -16.367
  321    HB3  LYS  38           HB3      LYS  38  -9.839  -6.956 -15.166
  322    HG2  LYS  38           HG2      LYS  38 -10.809  -8.045 -17.022
  323    HG3  LYS  38           HG3      LYS  38 -11.394  -6.380 -17.054
  324    HD2  LYS  38           HD2      LYS  38  -9.906  -5.801 -18.813
  325    HD3  LYS  38           HD3      LYS  38  -9.013  -7.314 -18.644
  326    HE2  LYS  38           HE2      LYS  38 -11.918  -7.177 -19.427
  327    HE3  LYS  38           HE3      LYS  38 -10.599  -7.196 -20.597
  328    HZ1  LYS  38           HZ1      LYS  38 -10.802  -9.399 -20.485
  329    HZ2  LYS  38           HZ2      LYS  38 -11.711  -9.353 -19.060
  330    HZ3  LYS  38           HZ3      LYS  38 -10.022  -9.294 -18.987
  331    H    TRP  39           H        TRP  39 -10.029  -4.296 -13.825
  332    HA   TRP  39           HA       TRP  39 -12.746  -3.785 -14.541
  333    HB2  TRP  39           HB2      TRP  39 -12.228  -4.441 -12.274
  334    HB3  TRP  39           HB3      TRP  39 -11.147  -3.064 -12.078
  335    HD1  TRP  39           HD1      TRP  39 -14.763  -4.068 -11.787
  336    HE1  TRP  39           HE1      TRP  39 -16.149  -2.063 -10.961
  337    HE3  TRP  39           HE3      TRP  39 -11.238  -0.395 -12.257
  338    HZ2  TRP  39           HZ2      TRP  39 -15.795   0.709 -10.562
  339    HZ3  TRP  39           HZ3      TRP  39 -11.842   1.906 -11.632
  340    HH2  TRP  39           HH2      TRP  39 -14.074   2.445 -10.803
  341    H    LEU  40           H        LEU  40  -9.855  -1.818 -14.162
  342    HA   LEU  40           HA       LEU  40 -11.321   0.649 -14.585
  343    HB2  LEU  40           HB2      LEU  40  -9.485   0.697 -13.034
  344    HB3  LEU  40           HB3      LEU  40  -8.385   0.058 -14.254
  345    HG   LEU  40           HG       LEU  40  -8.461   2.122 -15.483
  346   HD11  LEU  40          HD11      LEU  40 -10.820   2.661 -15.082
  347   HD12  LEU  40          HD12      LEU  40  -9.763   4.033 -14.751
  348   HD13  LEU  40          HD13      LEU  40 -10.431   3.094 -13.417
  349   HD21  LEU  40          HD21      LEU  40  -7.381   1.828 -12.938
  350   HD22  LEU  40          HD22      LEU  40  -8.140   3.420 -12.921
  351   HD23  LEU  40          HD23      LEU  40  -6.933   3.031 -14.148
  352    H    LYS  41           H        LYS  41  -8.839  -1.244 -16.286
  353    HA   LYS  41           HA       LYS  41  -8.499   0.337 -18.522
  354    HB2  LYS  41           HB2      LYS  41  -7.126  -1.627 -18.087
  355    HB3  LYS  41           HB3      LYS  41  -8.510  -2.682 -18.345
  356    HG2  LYS  41           HG2      LYS  41  -7.235  -2.791 -20.315
  357    HG3  LYS  41           HG3      LYS  41  -8.616  -1.758 -20.694
  358    HD2  LYS  41           HD2      LYS  41  -7.277   0.217 -20.486
  359    HD3  LYS  41           HD3      LYS  41  -5.912  -0.713 -19.864
  360    HE2  LYS  41           HE2      LYS  41  -6.136  -1.991 -22.136
  361    HE3  LYS  41           HE3      LYS  41  -6.980  -0.530 -22.646
  362    HZ1  LYS  41           HZ1      LYS  41  -5.052   0.773 -22.083
  363    HZ2  LYS  41           HZ2      LYS  41  -4.597  -0.464 -23.143
  364    HZ3  LYS  41           HZ3      LYS  41  -4.244  -0.592 -21.493
  365    H    ARG  42           H        ARG  42 -11.037  -2.021 -17.845
  366    HA   ARG  42           HA       ARG  42 -12.233  -2.015 -20.393
  367    HB2  ARG  42           HB2      ARG  42 -12.640  -3.649 -18.489
  368    HB3  ARG  42           HB3      ARG  42 -13.691  -2.427 -17.786
  369    HG2  ARG  42           HG2      ARG  42 -14.972  -2.466 -19.968
  370    HG3  ARG  42           HG3      ARG  42 -14.045  -3.913 -20.369
  371    HD2  ARG  42           HD2      ARG  42 -16.157  -4.565 -19.412
  372    HD3  ARG  42           HD3      ARG  42 -14.862  -4.963 -18.283
  373    HE   ARG  42           HE       ARG  42 -15.915  -2.409 -17.695
  374   HH11  ARG  42          HH11      ARG  42 -16.686  -5.796 -17.472
  375   HH12  ARG  42          HH12      ARG  42 -17.718  -5.604 -16.094
  376   HH21  ARG  42          HH21      ARG  42 -17.272  -2.143 -15.881
  377   HH22  ARG  42          HH22      ARG  42 -18.051  -3.525 -15.191
  378    H    HIS  43           H        HIS  43 -13.042  -0.184 -17.448
  379    HA   HIS  43           HA       HIS  43 -14.203   1.746 -17.122
  380    HB2  HIS  43           HB2      HIS  43 -12.403   2.409 -18.904
  381    HB3  HIS  43           HB3      HIS  43 -13.783   2.497 -19.994
  382    HD1  HIS  43           HD1      HIS  43 -13.952   4.981 -20.292
  383    HD2  HIS  43           HD2      HIS  43 -13.796   3.860 -16.294
  384    HE1  HIS  43           HE1      HIS  43 -14.417   7.079 -18.987
  Start of MODEL   18
    1    HCN  FME   1           HF       FME   1  -2.223  -6.098   0.993
    2    HA   FME   1           HA       FME   1  -1.491  -2.470   0.441
    3    HB2  FME   1           HB2      FME   1  -1.201  -1.985   2.913
    4    HB3  FME   1           HB3      FME   1  -0.262  -1.021   1.719
    5    HG2  FME   1           HG2      FME   1   1.817  -2.201   2.244
    6    HG3  FME   1           HG3      FME   1   0.957  -3.429   3.241
    7    HE1  FME   1           HE8      FME   1   2.430  -2.631   5.871
    8    HE2  FME   1           HE2      FME   1   3.285  -1.101   5.414
    9    HE3  FME   1           HE3      FME   1   3.195  -2.484   4.237
   10    H    GLY   2           H        GLY   2   0.472  -1.289  -0.344
   11    HA2  GLY   2           HA2      GLY   2   2.275  -1.245  -1.771
   12    HA3  GLY   2           HA3      GLY   2   2.758  -2.796  -1.100
   13    H    ALA   3           H        ALA   3  -0.357  -2.261  -2.601
   14    HA   ALA   3           HA       ALA   3   0.498  -3.986  -4.834
   15    HB1  ALA   3           HB1      ALA   3  -2.205  -4.267  -4.793
   16    HB2  ALA   3           HB2      ALA   3  -1.068  -5.360  -4.002
   17    HB3  ALA   3           HB3      ALA   3  -1.847  -4.077  -3.077
   18    H    ILE   4           H        ILE   4  -1.060  -1.041  -3.889
   19    HA   ILE   4           HA       ILE   4  -2.482  -0.393  -6.192
   20    HB   ILE   4           HB       ILE   4  -0.961   1.553  -4.456
   21   HG12  ILE   4          HG12      ILE   4  -3.702   0.324  -4.123
   22   HG13  ILE   4          HG13      ILE   4  -2.333   0.187  -3.025
   23   HG21  ILE   4          HG21      ILE   4  -2.327   2.012  -6.789
   24   HG22  ILE   4          HG22      ILE   4  -3.540   2.350  -5.556
   25   HG23  ILE   4          HG23      ILE   4  -2.001   3.210  -5.537
   26   HD11  ILE   4          HD11      ILE   4  -3.907   2.679  -3.620
   27   HD12  ILE   4          HD12      ILE   4  -3.953   1.726  -2.137
   28   HD13  ILE   4          HD13      ILE   4  -2.486   2.600  -2.579
   29    H    ALA   5           H        ALA   5   0.948  -0.069  -5.469
   30    HA   ALA   5           HA       ALA   5   1.788   1.566  -7.525
   31    HB1  ALA   5           HB1      ALA   5   3.899   0.001  -7.423
   32    HB2  ALA   5           HB2      ALA   5   3.484   1.059  -6.074
   33    HB3  ALA   5           HB3      ALA   5   3.068  -0.653  -6.011
   34    H    LYS   6           H        LYS   6   1.194  -1.926  -7.599
   35    HA   LYS   6           HA       LYS   6   2.115  -2.477 -10.162
   36    HB2  LYS   6           HB2      LYS   6  -0.239  -3.727  -8.734
   37    HB3  LYS   6           HB3      LYS   6   0.605  -4.419 -10.113
   38    HG2  LYS   6           HG2      LYS   6   2.202  -3.742  -7.706
   39    HG3  LYS   6           HG3      LYS   6   1.139  -5.149  -7.635
   40    HD2  LYS   6           HD2      LYS   6   2.210  -6.005  -9.699
   41    HD3  LYS   6           HD3      LYS   6   3.325  -4.637  -9.652
   42    HE2  LYS   6           HE2      LYS   6   4.495  -6.416  -8.660
   43    HE3  LYS   6           HE3      LYS   6   3.940  -5.425  -7.312
   44    HZ1  LYS   6           HZ1      LYS   6   2.285  -7.677  -8.222
   45    HZ2  LYS   6           HZ2      LYS   6   2.398  -6.983  -6.684
   46    HZ3  LYS   6           HZ3      LYS   6   3.636  -7.985  -7.252
   47    H    LEU   7           H        LEU   7  -0.980  -1.174  -9.098
   48    HA   LEU   7           HA       LEU   7  -2.111  -1.224 -11.750
   49    HB2  LEU   7           HB2      LEU   7  -3.188   0.364  -9.448
   50    HB3  LEU   7           HB3      LEU   7  -4.062  -0.363 -10.795
   51    HG   LEU   7           HG       LEU   7  -2.727  -1.975  -8.628
   52   HD11  LEU   7          HD11      LEU   7  -5.296  -2.261  -8.045
   53   HD12  LEU   7          HD12      LEU   7  -5.369  -0.628  -8.705
   54   HD13  LEU   7          HD13      LEU   7  -4.312  -0.979  -7.338
   55   HD21  LEU   7          HD21      LEU   7  -4.622  -3.559  -9.525
   56   HD22  LEU   7          HD22      LEU   7  -3.070  -3.442 -10.355
   57   HD23  LEU   7          HD23      LEU   7  -4.470  -2.562 -10.972
   58    H    VAL   8           H        VAL   8  -0.672   1.168  -9.595
   59    HA   VAL   8           HA       VAL   8  -1.245   3.442 -11.174
   60    HB   VAL   8           HB       VAL   8   1.000   3.014  -9.198
   61   HG11  VAL   8          HG11      VAL   8   0.326   5.241 -10.931
   62   HG12  VAL   8          HG12      VAL   8   0.335   5.699  -9.227
   63   HG13  VAL   8          HG13      VAL   8   1.767   4.967  -9.952
   64   HG21  VAL   8          HG21      VAL   8  -0.447   3.401  -7.537
   65   HG22  VAL   8          HG22      VAL   8  -1.248   4.702  -8.418
   66   HG23  VAL   8          HG23      VAL   8  -1.704   3.025  -8.716
   67    H    ALA   9           H        ALA   9   1.189   0.983 -11.368
   68    HA   ALA   9           HA       ALA   9   3.184   2.301 -12.802
   69    HB1  ALA   9           HB1      ALA   9   2.386  -0.493 -12.363
   70    HB2  ALA   9           HB2      ALA   9   3.319  -0.199 -13.831
   71    HB3  ALA   9           HB3      ALA   9   3.974   0.267 -12.261
   72    H    LYS  10           H        LYS  10   0.031   1.303 -13.769
   73    HA   LYS  10           HA       LYS  10   0.689   1.895 -16.580
   74    HB2  LYS  10           HB2      LYS  10  -1.667   0.299 -15.566
   75    HB3  LYS  10           HB3      LYS  10  -1.167   0.501 -17.240
   76    HG2  LYS  10           HG2      LYS  10   0.507  -0.857 -15.141
   77    HG3  LYS  10           HG3      LYS  10  -0.586  -1.702 -16.240
   78    HD2  LYS  10           HD2      LYS  10   1.568   0.131 -17.251
   79    HD3  LYS  10           HD3      LYS  10   1.887  -1.567 -16.891
   80    HE2  LYS  10           HE2      LYS  10  -0.148  -2.037 -18.403
   81    HE3  LYS  10           HE3      LYS  10   0.082  -0.384 -18.972
   82    HZ1  LYS  10           HZ1      LYS  10   1.344  -2.586 -19.939
   83    HZ2  LYS  10           HZ2      LYS  10   2.515  -1.897 -18.932
   84    HZ3  LYS  10           HZ3      LYS  10   1.833  -0.984 -20.183
   85    H    PHE  11           H        PHE  11  -1.434   2.576 -13.893
   86    HA   PHE  11           HA       PHE  11  -3.155   4.307 -15.444
   87    HB2  PHE  11           HB2      PHE  11  -2.997   3.776 -12.471
   88    HB3  PHE  11           HB3      PHE  11  -4.210   4.796 -13.237
   89    HD1  PHE  11           HD2      PHE  11  -4.849   3.224 -15.642
   90    HD2  PHE  11           HD1      PHE  11  -4.197   1.985 -11.622
   91    HE1  PHE  11           HE2      PHE  11  -6.267   1.250 -16.024
   92    HE2  PHE  11           HE1      PHE  11  -5.614   0.008 -11.998
   93    HZ   PHE  11           HZ       PHE  11  -6.652  -0.361 -14.201
   94    H    GLY  12           H        GLY  12  -1.154   4.869 -12.538
   95    HA2  GLY  12           HA2      GLY  12   0.589   6.597 -12.649
   96    HA3  GLY  12           HA3      GLY  12  -0.516   7.534 -13.644
   97    H    TRP  13           H        TRP  13   0.504   8.849 -11.595
   98    HA   TRP  13           HA       TRP  13  -0.890   8.585  -9.140
   99    HB2  TRP  13           HB2      TRP  13   0.227  11.218 -10.012
  100    HB3  TRP  13           HB3      TRP  13   0.293  10.441  -8.433
  101    HD1  TRP  13           HD1      TRP  13   2.513  11.317 -11.131
  102    HE1  TRP  13           HE1      TRP  13   4.641   9.869 -11.136
  103    HE3  TRP  13           HE3      TRP  13   0.960   7.582  -8.005
  104    HZ2  TRP  13           HZ2      TRP  13   5.542   7.462  -9.969
  105    HZ3  TRP  13           HZ3      TRP  13   2.516   5.743  -7.500
  106    HH2  TRP  13           HH2      TRP  13   4.759   5.686  -8.463
  107    HA   PRO  14           HA       PRO  14  -3.569  12.253 -10.834
  108    HB2  PRO  14           HB2      PRO  14  -3.478  12.681 -13.514
  109    HB3  PRO  14           HB3      PRO  14  -2.390  13.484 -12.375
  110    HG2  PRO  14           HG2      PRO  14  -1.894  11.089 -14.103
  111    HG3  PRO  14           HG3      PRO  14  -0.835  12.474 -13.780
  112    HD2  PRO  14           HD2      PRO  14  -0.533  10.088 -12.536
  113    HD3  PRO  14           HD3      PRO  14  -0.141  11.631 -11.750
  114    H    PHE  15           H        PHE  15  -3.164   9.170 -12.217
  115    HA   PHE  15           HA       PHE  15  -5.891   9.121 -13.289
  116    HB2  PHE  15           HB2      PHE  15  -3.728   8.175 -14.471
  117    HB3  PHE  15           HB3      PHE  15  -4.045   6.774 -13.452
  118    HD1  PHE  15           HD1      PHE  15  -6.043   5.427 -13.773
  119    HD2  PHE  15           HD2      PHE  15  -5.182   8.746 -16.295
  120    HE1  PHE  15           HE1      PHE  15  -7.700   4.615 -15.402
  121    HE2  PHE  15           HE2      PHE  15  -6.837   7.940 -17.927
  122    HZ   PHE  15           HZ       PHE  15  -8.100   5.873 -17.481
  123    H    ILE  16           H        ILE  16  -3.804   7.497 -10.942
  124    HA   ILE  16           HA       ILE  16  -5.796   5.673 -10.037
  125    HB   ILE  16           HB       ILE  16  -3.326   5.343  -9.756
  126   HG12  ILE  16          HG12      ILE  16  -3.745   4.786  -7.125
  127   HG13  ILE  16          HG13      ILE  16  -5.402   4.962  -7.692
  128   HG21  ILE  16          HG21      ILE  16  -2.902   7.689  -8.989
  129   HG22  ILE  16          HG22      ILE  16  -3.609   7.243  -7.437
  130   HG23  ILE  16          HG23      ILE  16  -2.143   6.441  -8.001
  131   HD11  ILE  16          HD11      ILE  16  -3.595   3.280  -9.317
  132   HD12  ILE  16          HD12      ILE  16  -4.103   2.652  -7.749
  133   HD13  ILE  16          HD13      ILE  16  -5.311   3.091  -8.957
  134    H    LYS  17           H        LYS  17  -4.888   8.929  -9.183
  135    HA   LYS  17           HA       LYS  17  -6.288   8.997  -6.692
  136    HB2  LYS  17           HB2      LYS  17  -5.773  11.313  -6.636
  137    HB3  LYS  17           HB3      LYS  17  -4.385  10.521  -7.371
  138    HG2  LYS  17           HG2      LYS  17  -5.184  11.179  -9.586
  139    HG3  LYS  17           HG3      LYS  17  -6.569  11.983  -8.843
  140    HD2  LYS  17           HD2      LYS  17  -3.683  12.676  -8.300
  141    HD3  LYS  17           HD3      LYS  17  -4.725  13.535  -9.436
  142    HE2  LYS  17           HE2      LYS  17  -5.053  14.854  -7.617
  143    HE3  LYS  17           HE3      LYS  17  -6.295  13.647  -7.289
  144    HZ1  LYS  17           HZ1      LYS  17  -5.292  13.313  -5.357
  145    HZ2  LYS  17           HZ2      LYS  17  -3.971  14.279  -5.784
  146    HZ3  LYS  17           HZ3      LYS  17  -3.985  12.638  -6.192
  147    H    LYS  18           H        LYS  18  -7.214   9.246  -9.975
  148    HA   LYS  18           HA       LYS  18  -9.523  10.868  -9.674
  149    HB2  LYS  18           HB2      LYS  18  -8.238  10.166 -11.826
  150    HB3  LYS  18           HB3      LYS  18  -9.269   8.742 -11.778
  151    HG2  LYS  18           HG2      LYS  18 -10.427  10.166 -13.175
  152    HG3  LYS  18           HG3      LYS  18 -11.210  10.436 -11.617
  153    HD2  LYS  18           HD2      LYS  18 -10.864  12.609 -12.111
  154    HD3  LYS  18           HD3      LYS  18  -9.239  12.282 -11.504
  155    HE2  LYS  18           HE2      LYS  18  -9.601  11.594 -14.320
  156    HE3  LYS  18           HE3      LYS  18  -9.854  13.305 -13.976
  157    HZ1  LYS  18           HZ1      LYS  18  -7.568  12.440 -12.602
  158    HZ2  LYS  18           HZ2      LYS  18  -7.675  13.574 -13.851
  159    HZ3  LYS  18           HZ3      LYS  18  -7.432  11.940 -14.212
  160    H    PHE  19           H        PHE  19  -8.853   7.518  -9.092
  161    HA   PHE  19           HA       PHE  19 -11.548   7.178  -8.038
  162    HB2  PHE  19           HB2      PHE  19 -10.355   5.497 -10.233
  163    HB3  PHE  19           HB3      PHE  19 -11.605   4.865  -9.166
  164    HD1  PHE  19           HD2      PHE  19 -10.850   7.447 -11.689
  165    HD2  PHE  19           HD1      PHE  19 -13.872   5.460  -9.445
  166    HE1  PHE  19           HE2      PHE  19 -12.576   8.470 -13.113
  167    HE2  PHE  19           HE1      PHE  19 -15.603   6.479 -10.866
  168    HZ   PHE  19           HZ       PHE  19 -14.955   7.988 -12.703
  169    H    TYR  20           H        TYR  20  -9.050   7.491  -6.740
  170    HA   TYR  20           HA       TYR  20  -7.864   5.052  -5.988
  171    HB2  TYR  20           HB2      TYR  20  -6.673   7.087  -5.580
  172    HB3  TYR  20           HB3      TYR  20  -7.989   7.735  -4.607
  173    HD1  TYR  20           HD1      TYR  20  -5.151   5.417  -4.670
  174    HD2  TYR  20           HD2      TYR  20  -8.303   7.028  -2.309
  175    HE1  TYR  20           HE1      TYR  20  -4.084   4.520  -2.643
  176    HE2  TYR  20           HE2      TYR  20  -7.245   6.136  -0.276
  177    HH   TYR  20           HH       TYR  20  -5.619   4.836   0.534
  178    H    LYS  21           H        LYS  21 -10.765   6.643  -4.972
  179    HA   LYS  21           HA       LYS  21 -11.097   5.385  -2.462
  180    HB2  LYS  21           HB2      LYS  21 -13.214   6.424  -4.355
  181    HB3  LYS  21           HB3      LYS  21 -13.445   6.066  -2.648
  182    HG2  LYS  21           HG2      LYS  21 -12.072   7.869  -1.986
  183    HG3  LYS  21           HG3      LYS  21 -11.461   8.099  -3.625
  184    HD2  LYS  21           HD2      LYS  21 -14.384   8.374  -3.017
  185    HD3  LYS  21           HD3      LYS  21 -13.269   9.714  -2.735
  186    HE2  LYS  21           HE2      LYS  21 -12.846  10.009  -4.970
  187    HE3  LYS  21           HE3      LYS  21 -13.198   8.329  -5.370
  188    HZ1  LYS  21           HZ1      LYS  21 -14.890   9.898  -6.184
  189    HZ2  LYS  21           HZ2      LYS  21 -15.244  10.334  -4.589
  190    HZ3  LYS  21           HZ3      LYS  21 -15.531   8.753  -5.116
  191    H    GLN  22           H        GLN  22 -11.942   4.456  -5.746
  192    HA   GLN  22           HA       GLN  22 -13.351   2.085  -4.843
  193    HB2  GLN  22           HB2      GLN  22 -14.065   3.445  -6.843
  194    HB3  GLN  22           HB3      GLN  22 -12.632   2.852  -7.673
  195    HG2  GLN  22           HG2      GLN  22 -14.191   1.370  -8.422
  196    HG3  GLN  22           HG3      GLN  22 -13.590   0.510  -7.005
  197   HE21  GLN  22          HE21      GLN  22 -15.870  -0.397  -7.691
  198   HE22  GLN  22          HE22      GLN  22 -17.183   0.226  -6.756
  199    H    ILE  23           H        ILE  23 -10.381   2.875  -6.615
  200    HA   ILE  23           HA       ILE  23  -9.492   0.305  -7.160
  201    HB   ILE  23           HB       ILE  23  -7.816   2.720  -6.468
  202   HG12  ILE  23          HG12      ILE  23  -8.191   1.761  -9.257
  203   HG13  ILE  23          HG13      ILE  23  -9.555   2.577  -8.503
  204   HG21  ILE  23          HG21      ILE  23  -6.419   0.820  -6.284
  205   HG22  ILE  23          HG22      ILE  23  -7.110   0.083  -7.728
  206   HG23  ILE  23          HG23      ILE  23  -6.095   1.518  -7.871
  207   HD11  ILE  23          HD11      ILE  23  -7.124   3.673  -9.592
  208   HD12  ILE  23          HD12      ILE  23  -8.624   4.482  -9.137
  209   HD13  ILE  23          HD13      ILE  23  -7.376   4.191  -7.926
  210    H    MET  24           H        MET  24  -8.366   2.337  -4.446
  211    HA   MET  24           HA       MET  24  -6.994   0.334  -3.089
  212    HB2  MET  24           HB2      MET  24  -6.638   2.617  -2.480
  213    HB3  MET  24           HB3      MET  24  -8.336   2.842  -2.083
  214    HG2  MET  24           HG2      MET  24  -6.955   2.680  -0.085
  215    HG3  MET  24           HG3      MET  24  -8.118   1.359  -0.182
  216    HE1  MET  24           HE1      MET  24  -4.689   0.295   1.583
  217    HE2  MET  24           HE2      MET  24  -6.009   1.452   1.758
  218    HE3  MET  24           HE3      MET  24  -6.353  -0.278   1.710
  219    H    GLN  25           H        GLN  25 -10.387   0.980  -3.282
  220    HA   GLN  25           HA       GLN  25 -11.175  -0.415  -0.932
  221    HB2  GLN  25           HB2      GLN  25 -12.486   0.867  -3.211
  222    HB3  GLN  25           HB3      GLN  25 -13.339  -0.559  -2.634
  223    HG2  GLN  25           HG2      GLN  25 -12.461   1.641  -0.792
  224    HG3  GLN  25           HG3      GLN  25 -14.008   1.670  -1.637
  225   HE21  GLN  25          HE21      GLN  25 -15.669   0.776  -0.646
  226   HE22  GLN  25          HE22      GLN  25 -15.586  -0.349   0.662
  227    H    PHE  26           H        PHE  26 -10.348  -1.378  -4.155
  228    HA   PHE  26           HA       PHE  26 -11.623  -3.930  -4.093
  229    HB2  PHE  26           HB2      PHE  26  -9.444  -2.762  -5.824
  230    HB3  PHE  26           HB3      PHE  26 -10.040  -4.406  -6.032
  231    HD1  PHE  26           HD2      PHE  26 -12.908  -4.104  -5.629
  232    HD2  PHE  26           HD1      PHE  26 -10.158  -1.577  -7.670
  233    HE1  PHE  26           HE2      PHE  26 -14.737  -3.261  -7.043
  234    HE2  PHE  26           HE1      PHE  26 -11.982  -0.729  -9.086
  235    HZ   PHE  26           HZ       PHE  26 -14.275  -1.572  -8.775
  236    H    ILE  27           H        ILE  27  -8.432  -2.726  -3.241
  237    HA   ILE  27           HA       ILE  27  -7.043  -5.113  -2.984
  238    HB   ILE  27           HB       ILE  27  -6.782  -2.663  -1.236
  239   HG12  ILE  27          HG12      ILE  27  -5.315  -3.430  -3.770
  240   HG13  ILE  27          HG13      ILE  27  -6.560  -2.191  -3.652
  241   HG21  ILE  27          HG21      ILE  27  -5.484  -5.203  -1.140
  242   HG22  ILE  27          HG22      ILE  27  -4.313  -3.972  -1.608
  243   HG23  ILE  27          HG23      ILE  27  -5.234  -3.790  -0.116
  244   HD11  ILE  27          HD11      ILE  27  -4.514  -1.695  -1.715
  245   HD12  ILE  27          HD12      ILE  27  -3.801  -1.892  -3.317
  246   HD13  ILE  27          HD13      ILE  27  -5.060  -0.685  -3.054
  247    H    GLY  28           H        GLY  28  -8.728  -3.340  -0.378
  248    HA2  GLY  28           HA2      GLY  28  -8.406  -5.244   1.623
  249    HA3  GLY  28           HA3      GLY  28  -9.726  -4.086   1.549
  250    H    GLN  29           H        GLN  29 -10.647  -5.196  -1.047
  251    HA   GLN  29           HA       GLN  29 -12.430  -7.153   0.025
  252    HB2  GLN  29           HB2      GLN  29 -13.283  -5.675  -1.646
  253    HB3  GLN  29           HB3      GLN  29 -11.992  -6.092  -2.764
  254    HG2  GLN  29           HG2      GLN  29 -14.041  -7.143  -3.453
  255    HG3  GLN  29           HG3      GLN  29 -12.891  -8.371  -2.925
  256   HE21  GLN  29          HE21      GLN  29 -16.008  -7.181  -2.614
  257   HE22  GLN  29          HE22      GLN  29 -16.494  -8.088  -1.227
  258    H    GLY  30           H        GLY  30  -9.426  -7.252  -1.699
  259    HA2  GLY  30           HA2      GLY  30  -8.067  -9.223  -1.636
  260    HA3  GLY  30           HA3      GLY  30  -9.534 -10.190  -1.604
  261    H    TRP  31           H        TRP  31  -9.433  -7.551  -3.809
  262    HA   TRP  31           HA       TRP  31  -9.742  -9.293  -6.047
  263    HB2  TRP  31           HB2      TRP  31  -9.632  -6.335  -5.642
  264    HB3  TRP  31           HB3      TRP  31  -9.407  -6.969  -7.270
  265    HD1  TRP  31           HD1      TRP  31 -11.849  -8.694  -4.898
  266    HE1  TRP  31           HE1      TRP  31 -14.242  -8.353  -5.782
  267    HE3  TRP  31           HE3      TRP  31 -10.862  -5.362  -8.648
  268    HZ2  TRP  31           HZ2      TRP  31 -15.540  -6.869  -7.802
  269    HZ3  TRP  31           HZ3      TRP  31 -12.735  -4.530 -10.010
  270    HH2  TRP  31           HH2      TRP  31 -15.025  -5.270  -9.595
  271    H    THR  32           H        THR  32  -8.328  -9.801  -7.668
  272    HA   THR  32           HA       THR  32  -5.548  -9.752  -7.036
  273    HB   THR  32           HB       THR  32  -5.203 -10.904  -9.146
  274    HG1  THR  32           HG1      THR  32  -7.735  -9.849  -9.695
  275   HG21  THR  32          HG21      THR  32  -6.488 -11.940  -7.056
  276   HG22  THR  32          HG22      THR  32  -6.194 -12.866  -8.528
  277   HG23  THR  32          HG23      THR  32  -7.766 -12.114  -8.257
  278    H    ILE  33           H        ILE  33  -3.854  -8.859  -8.370
  279    HA   ILE  33           HA       ILE  33  -4.121  -6.137  -8.876
  280    HB   ILE  33           HB       ILE  33  -2.082  -8.023 -10.062
  281   HG12  ILE  33          HG12      ILE  33  -2.168  -8.090  -7.597
  282   HG13  ILE  33          HG13      ILE  33  -0.670  -7.372  -8.178
  283   HG21  ILE  33          HG21      ILE  33  -2.148  -5.907 -11.249
  284   HG22  ILE  33          HG22      ILE  33  -2.029  -5.028  -9.725
  285   HG23  ILE  33          HG23      ILE  33  -0.679  -6.018 -10.279
  286   HD11  ILE  33          HD11      ILE  33  -1.534  -6.153  -6.276
  287   HD12  ILE  33          HD12      ILE  33  -1.574  -5.146  -7.724
  288   HD13  ILE  33          HD13      ILE  33  -3.058  -5.881  -7.119
  289    H    ASP  34           H        ASP  34  -4.850  -8.856 -10.881
  290    HA   ASP  34           HA       ASP  34  -4.872  -7.360 -13.349
  291    HB2  ASP  34           HB2      ASP  34  -5.726 -10.158 -12.612
  292    HB3  ASP  34           HB3      ASP  34  -5.977  -9.490 -14.222
  293    H    GLN  35           H        GLN  35  -7.207  -8.457 -10.962
  294    HA   GLN  35           HA       GLN  35  -9.582  -8.045 -12.311
  295    HB2  GLN  35           HB2      GLN  35  -8.740  -8.082  -9.489
  296    HB3  GLN  35           HB3      GLN  35 -10.230  -7.201  -9.803
  297    HG2  GLN  35           HG2      GLN  35 -11.212  -9.153 -10.829
  298    HG3  GLN  35           HG3      GLN  35  -9.702 -10.043 -10.641
  299   HE21  GLN  35          HE21      GLN  35 -12.596  -8.997  -9.145
  300   HE22  GLN  35          HE22      GLN  35 -12.345  -9.754  -7.612
  301    H    ILE  36           H        ILE  36  -7.675  -5.685 -10.464
  302    HA   ILE  36           HA       ILE  36  -9.434  -3.508 -10.948
  303    HB   ILE  36           HB       ILE  36  -6.507  -3.464 -10.199
  304   HG12  ILE  36          HG12      ILE  36  -7.822  -2.778  -7.950
  305   HG13  ILE  36          HG13      ILE  36  -9.023  -3.844  -8.671
  306   HG21  ILE  36          HG21      ILE  36  -6.699  -1.285 -10.676
  307   HG22  ILE  36          HG22      ILE  36  -8.459  -1.353 -10.728
  308   HG23  ILE  36          HG23      ILE  36  -7.628  -1.194  -9.181
  309   HD11  ILE  36          HD11      ILE  36  -7.804  -5.686  -8.284
  310   HD12  ILE  36          HD12      ILE  36  -6.275  -4.880  -8.636
  311   HD13  ILE  36          HD13      ILE  36  -7.039  -4.672  -7.060
  312    H    GLU  37           H        GLU  37  -6.240  -4.313 -12.322
  313    HA   GLU  37           HA       GLU  37  -6.052  -2.269 -14.169
  314    HB2  GLU  37           HB2      GLU  37  -5.019  -5.091 -14.176
  315    HB3  GLU  37           HB3      GLU  37  -4.711  -4.015 -15.532
  316    HG2  GLU  37           HG2      GLU  37  -3.883  -2.399 -13.628
  317    HG3  GLU  37           HG3      GLU  37  -3.670  -3.914 -12.753
  318    H    LYS  38           H        LYS  38  -7.941  -5.200 -14.304
  319    HA   LYS  38           HA       LYS  38  -8.652  -4.787 -17.092
  320    HB2  LYS  38           HB2      LYS  38  -8.280  -7.069 -16.009
  321    HB3  LYS  38           HB3      LYS  38  -9.829  -6.829 -15.211
  322    HG2  LYS  38           HG2      LYS  38 -10.453  -8.045 -17.048
  323    HG3  LYS  38           HG3      LYS  38 -10.690  -6.397 -17.635
  324    HD2  LYS  38           HD2      LYS  38  -9.503  -7.254 -19.387
  325    HD3  LYS  38           HD3      LYS  38  -8.166  -6.691 -18.382
  326    HE2  LYS  38           HE2      LYS  38  -7.621  -8.833 -17.686
  327    HE3  LYS  38           HE3      LYS  38  -9.223  -9.470 -18.057
  328    HZ1  LYS  38           HZ1      LYS  38  -6.918  -9.131 -19.785
  329    HZ2  LYS  38           HZ2      LYS  38  -8.405  -8.721 -20.477
  330    HZ3  LYS  38           HZ3      LYS  38  -8.164 -10.274 -19.852
  331    H    TRP  39           H        TRP  39  -9.921  -4.168 -13.926
  332    HA   TRP  39           HA       TRP  39 -12.646  -3.891 -14.555
  333    HB2  TRP  39           HB2      TRP  39 -11.767  -4.021 -12.245
  334    HB3  TRP  39           HB3      TRP  39 -11.058  -2.420 -12.440
  335    HD1  TRP  39           HD1      TRP  39 -14.256  -4.145 -11.516
  336    HE1  TRP  39           HE1      TRP  39 -16.070  -2.394 -10.998
  337    HE3  TRP  39           HE3      TRP  39 -11.866   0.033 -13.239
  338    HZ2  TRP  39           HZ2      TRP  39 -16.440   0.390 -11.284
  339    HZ3  TRP  39           HZ3      TRP  39 -13.019   2.201 -13.081
  340    HH2  TRP  39           HH2      TRP  39 -15.259   2.374 -12.123
  341    H    LEU  40           H        LEU  40  -9.962  -1.595 -14.671
  342    HA   LEU  40           HA       LEU  40 -11.485   0.702 -15.250
  343    HB2  LEU  40           HB2      LEU  40  -8.655  -0.083 -15.359
  344    HB3  LEU  40           HB3      LEU  40  -9.113   1.206 -16.470
  345    HG   LEU  40           HG       LEU  40  -8.229   2.127 -14.409
  346   HD11  LEU  40          HD11      LEU  40 -10.866   2.653 -15.437
  347   HD12  LEU  40          HD12      LEU  40  -9.639   3.780 -14.859
  348   HD13  LEU  40          HD13      LEU  40 -10.769   3.047 -13.721
  349   HD21  LEU  40          HD21      LEU  40  -8.719   1.374 -12.366
  350   HD22  LEU  40          HD22      LEU  40  -9.450  -0.009 -13.182
  351   HD23  LEU  40          HD23      LEU  40 -10.452   1.358 -12.692
  352    H    LYS  41           H        LYS  41  -9.392  -1.097 -17.512
  353    HA   LYS  41           HA       LYS  41 -10.373   0.040 -19.846
  354    HB2  LYS  41           HB2      LYS  41  -8.339  -1.521 -19.459
  355    HB3  LYS  41           HB3      LYS  41  -9.481  -2.828 -19.743
  356    HG2  LYS  41           HG2      LYS  41 -10.037  -1.743 -21.932
  357    HG3  LYS  41           HG3      LYS  41  -8.692  -0.637 -21.645
  358    HD2  LYS  41           HD2      LYS  41  -7.320  -2.818 -21.291
  359    HD3  LYS  41           HD3      LYS  41  -8.648  -3.585 -22.167
  360    HE2  LYS  41           HE2      LYS  41  -7.289  -1.144 -23.253
  361    HE3  LYS  41           HE3      LYS  41  -6.594  -2.747 -23.492
  362    HZ1  LYS  41           HZ1      LYS  41  -8.980  -1.565 -24.663
  363    HZ2  LYS  41           HZ2      LYS  41  -9.093  -3.200 -24.245
  364    HZ3  LYS  41           HZ3      LYS  41  -7.891  -2.682 -25.317
  365    H    ARG  42           H        ARG  42 -11.657  -2.560 -17.901
  366    HA   ARG  42           HA       ARG  42 -13.873  -2.857 -19.821
  367    HB2  ARG  42           HB2      ARG  42 -13.095  -4.889 -17.735
  368    HB3  ARG  42           HB3      ARG  42 -14.160  -5.109 -19.118
  369    HG2  ARG  42           HG2      ARG  42 -12.071  -4.592 -20.532
  370    HG3  ARG  42           HG3      ARG  42 -11.176  -4.930 -19.049
  371    HD2  ARG  42           HD2      ARG  42 -11.304  -6.940 -20.368
  372    HD3  ARG  42           HD3      ARG  42 -12.299  -7.132 -18.926
  373    HE   ARG  42           HE       ARG  42 -13.759  -6.197 -21.217
  374   HH11  ARG  42          HH11      ARG  42 -12.561  -9.000 -19.536
  375   HH12  ARG  42          HH12      ARG  42 -13.747 -10.071 -20.206
  376   HH21  ARG  42          HH21      ARG  42 -15.325  -7.596 -22.107
  377   HH22  ARG  42          HH22      ARG  42 -15.318  -9.271 -21.669
  378    H    HIS  43           H        HIS  43 -14.214  -0.742 -18.317
  379    HA   HIS  43           HA       HIS  43 -15.228  -1.033 -15.735
  380    HB2  HIS  43           HB2      HIS  43 -14.661   1.139 -16.792
  381    HB3  HIS  43           HB3      HIS  43 -16.085   0.989 -17.816
  382    HD1  HIS  43           HD1      HIS  43 -16.734   3.322 -16.630
  383    HD2  HIS  43           HD2      HIS  43 -16.824  -0.063 -14.223
  384    HE1  HIS  43           HE1      HIS  43 -18.087   3.968 -14.612
  Start of MODEL   19
    1    HCN  FME   1           HF       FME   1  -0.956  -1.107   3.749
    2    HA   FME   1           HA       FME   1  -1.703  -0.191  -0.315
    3    HB2  FME   1           HB2      FME   1  -0.610   2.125   0.028
    4    HB3  FME   1           HB3      FME   1  -0.697   1.745   1.784
    5    HG2  FME   1           HG2      FME   1  -3.264   1.231   1.330
    6    HG3  FME   1           HG3      FME   1  -3.024   2.156  -0.195
    7    HE1  FME   1           HE8      FME   1  -3.135   3.389   4.149
    8    HE2  FME   1           HE2      FME   1  -1.400   3.057   3.751
    9    HE3  FME   1           HE3      FME   1  -2.667   1.792   3.435
   10    H    GLY   2           H        GLY   2  -0.589  -1.306  -1.587
   11    HA2  GLY   2           HA2      GLY   2   2.098  -0.592  -2.120
   12    HA3  GLY   2           HA3      GLY   2   2.052  -2.146  -1.299
   13    H    ALA   3           H        ALA   3  -0.347  -3.129  -2.428
   14    HA   ALA   3           HA       ALA   3   0.651  -4.222  -4.840
   15    HB1  ALA   3           HB1      ALA   3  -2.251  -4.392  -4.379
   16    HB2  ALA   3           HB2      ALA   3  -1.072  -5.665  -4.696
   17    HB3  ALA   3           HB3      ALA   3  -1.232  -4.996  -3.072
   18    H    ILE   4           H        ILE   4  -1.286  -1.442  -4.123
   19    HA   ILE   4           HA       ILE   4  -2.650  -1.058  -6.512
   20    HB   ILE   4           HB       ILE   4  -1.424   1.091  -4.779
   21   HG12  ILE   4          HG12      ILE   4  -4.091  -0.324  -4.637
   22   HG13  ILE   4          HG13      ILE   4  -2.818  -0.333  -3.422
   23   HG21  ILE   4          HG21      ILE   4  -2.152   1.852  -7.010
   24   HG22  ILE   4          HG22      ILE   4  -3.767   1.233  -6.670
   25   HG23  ILE   4          HG23      ILE   4  -3.109   2.555  -5.706
   26   HD11  ILE   4          HD11      ILE   4  -4.490   2.030  -4.240
   27   HD12  ILE   4          HD12      ILE   4  -4.615   1.115  -2.737
   28   HD13  ILE   4          HD13      ILE   4  -3.171   2.071  -3.070
   29    H    ALA   5           H        ALA   5   0.719  -0.606  -5.757
   30    HA   ALA   5           HA       ALA   5   1.556   1.122  -7.738
   31    HB1  ALA   5           HB1      ALA   5   3.148  -1.315  -7.018
   32    HB2  ALA   5           HB2      ALA   5   3.719   0.309  -7.405
   33    HB3  ALA   5           HB3      ALA   5   2.907   0.002  -5.870
   34    H    LYS   6           H        LYS   6   1.167  -2.407  -7.957
   35    HA   LYS   6           HA       LYS   6   2.029  -2.750 -10.578
   36    HB2  LYS   6           HB2      LYS   6  -0.172  -4.279  -9.178
   37    HB3  LYS   6           HB3      LYS   6   0.750  -4.829 -10.571
   38    HG2  LYS   6           HG2      LYS   6   2.757  -4.957  -9.270
   39    HG3  LYS   6           HG3      LYS   6   1.958  -4.212  -7.884
   40    HD2  LYS   6           HD2      LYS   6   0.453  -6.134  -7.718
   41    HD3  LYS   6           HD3      LYS   6   1.243  -6.876  -9.111
   42    HE2  LYS   6           HE2      LYS   6   2.203  -7.905  -7.225
   43    HE3  LYS   6           HE3      LYS   6   3.398  -6.733  -7.778
   44    HZ1  LYS   6           HZ1      LYS   6   3.278  -5.641  -5.864
   45    HZ2  LYS   6           HZ2      LYS   6   2.396  -6.946  -5.247
   46    HZ3  LYS   6           HZ3      LYS   6   1.586  -5.604  -5.882
   47    H    LEU   7           H        LEU   7  -1.103  -1.741  -9.333
   48    HA   LEU   7           HA       LEU   7  -2.420  -1.845 -11.874
   49    HB2  LEU   7           HB2      LEU   7  -3.307  -0.212  -9.518
   50    HB3  LEU   7           HB3      LEU   7  -4.295  -0.938 -10.784
   51    HG   LEU   7           HG       LEU   7  -2.775  -2.585  -8.775
   52   HD11  LEU   7          HD11      LEU   7  -4.780  -2.740  -7.458
   53   HD12  LEU   7          HD12      LEU   7  -5.651  -1.705  -8.588
   54   HD13  LEU   7          HD13      LEU   7  -4.332  -1.042  -7.623
   55   HD21  LEU   7          HD21      LEU   7  -5.041  -3.923  -9.540
   56   HD22  LEU   7          HD22      LEU   7  -3.426  -4.176 -10.204
   57   HD23  LEU   7          HD23      LEU   7  -4.560  -3.102 -11.026
   58    H    VAL   8           H        VAL   8  -0.837   0.653  -9.956
   59    HA   VAL   8           HA       VAL   8  -1.603   2.848 -11.576
   60    HB   VAL   8           HB       VAL   8   0.784   2.551  -9.747
   61   HG11  VAL   8          HG11      VAL   8  -0.072   4.702 -11.517
   62   HG12  VAL   8          HG12      VAL   8   0.130   5.218  -9.841
   63   HG13  VAL   8          HG13      VAL   8   1.470   4.454 -10.699
   64   HG21  VAL   8          HG21      VAL   8  -0.549   3.027  -8.013
   65   HG22  VAL   8          HG22      VAL   8  -1.441   4.251  -8.915
   66   HG23  VAL   8          HG23      VAL   8  -1.872   2.549  -9.077
   67    H    ALA   9           H        ALA   9   0.829   0.413 -11.883
   68    HA   ALA   9           HA       ALA   9   2.695   1.715 -13.508
   69    HB1  ALA   9           HB1      ALA   9   1.976  -1.084 -12.930
   70    HB2  ALA   9           HB2      ALA   9   2.839  -0.805 -14.443
   71    HB3  ALA   9           HB3      ALA   9   3.549  -0.287 -12.914
   72    H    LYS  10           H        LYS  10  -0.511   0.683 -14.175
   73    HA   LYS  10           HA       LYS  10  -0.082   1.156 -17.053
   74    HB2  LYS  10           HB2      LYS  10  -2.306  -0.461 -15.802
   75    HB3  LYS  10           HB3      LYS  10  -1.950  -0.302 -17.517
   76    HG2  LYS  10           HG2      LYS  10  -0.044  -1.527 -15.541
   77    HG3  LYS  10           HG3      LYS  10  -1.232  -2.455 -16.459
   78    HD2  LYS  10           HD2      LYS  10  -0.225  -1.570 -18.551
   79    HD3  LYS  10           HD3      LYS  10   1.020  -0.785 -17.576
   80    HE2  LYS  10           HE2      LYS  10   1.948  -2.824 -18.352
   81    HE3  LYS  10           HE3      LYS  10   1.569  -3.059 -16.646
   82    HZ1  LYS  10           HZ1      LYS  10   0.911  -4.864 -18.340
   83    HZ2  LYS  10           HZ2      LYS  10  -0.380  -3.837 -18.713
   84    HZ3  LYS  10           HZ3      LYS  10  -0.200  -4.431 -17.139
   85    H    PHE  11           H        PHE  11  -1.906   1.971 -14.215
   86    HA   PHE  11           HA       PHE  11  -3.826   3.573 -15.688
   87    HB2  PHE  11           HB2      PHE  11  -3.409   3.133 -12.726
   88    HB3  PHE  11           HB3      PHE  11  -4.682   4.144 -13.402
   89    HD1  PHE  11           HD2      PHE  11  -5.537   2.525 -15.708
   90    HD2  PHE  11           HD1      PHE  11  -4.536   1.366 -11.736
   91    HE1  PHE  11           HE2      PHE  11  -6.990   0.551 -15.921
   92    HE2  PHE  11           HE1      PHE  11  -5.987  -0.610 -11.944
   93    HZ   PHE  11           HZ       PHE  11  -7.217  -1.019 -14.038
   94    H    GLY  12           H        GLY  12  -1.511   4.243 -13.050
   95    HA2  GLY  12           HA2      GLY  12   0.149   6.010 -13.372
   96    HA3  GLY  12           HA3      GLY  12  -1.072   6.896 -14.273
   97    H    TRP  13           H        TRP  13   0.158   8.260 -12.351
   98    HA   TRP  13           HA       TRP  13  -1.004   8.053  -9.774
   99    HB2  TRP  13           HB2      TRP  13   0.027  10.664 -10.803
  100    HB3  TRP  13           HB3      TRP  13   0.238   9.922  -9.219
  101    HD1  TRP  13           HD1      TRP  13   2.199  10.736 -12.130
  102    HE1  TRP  13           HE1      TRP  13   4.318   9.285 -12.300
  103    HE3  TRP  13           HE3      TRP  13   0.943   7.071  -8.795
  104    HZ2  TRP  13           HZ2      TRP  13   5.324   6.902 -11.171
  105    HZ3  TRP  13           HZ3      TRP  13   2.539   5.241  -8.397
  106    HH2  TRP  13           HH2      TRP  13   4.683   5.160  -9.562
  107    HA   PRO  14           HA       PRO  14  -3.829  11.688 -11.292
  108    HB2  PRO  14           HB2      PRO  14  -3.986  12.059 -13.977
  109    HB3  PRO  14           HB3      PRO  14  -2.797  12.884 -12.961
  110    HG2  PRO  14           HG2      PRO  14  -2.462  10.453 -14.676
  111    HG3  PRO  14           HG3      PRO  14  -1.379  11.843 -14.481
  112    HD2  PRO  14           HD2      PRO  14  -0.962   9.483 -13.220
  113    HD3  PRO  14           HD3      PRO  14  -0.501  11.042 -12.506
  114    H    PHE  15           H        PHE  15  -3.564   8.563 -12.575
  115    HA   PHE  15           HA       PHE  15  -6.373   8.499 -13.415
  116    HB2  PHE  15           HB2      PHE  15  -4.289   7.499 -14.733
  117    HB3  PHE  15           HB3      PHE  15  -4.601   6.118 -13.688
  118    HD1  PHE  15           HD2      PHE  15  -6.760   4.934 -13.816
  119    HD2  PHE  15           HD1      PHE  15  -5.732   8.041 -16.537
  120    HE1  PHE  15           HE2      PHE  15  -8.541   4.185 -15.338
  121    HE2  PHE  15           HE1      PHE  15  -7.513   7.297 -18.064
  122    HZ   PHE  15           HZ       PHE  15  -8.919   5.366 -17.466
  123    H    ILE  16           H        ILE  16  -4.073   6.852 -11.280
  124    HA   ILE  16           HA       ILE  16  -5.917   5.042 -10.149
  125    HB   ILE  16           HB       ILE  16  -3.427   4.847  -9.990
  126   HG12  ILE  16          HG12      ILE  16  -3.490   4.146  -7.505
  127   HG13  ILE  16          HG13      ILE  16  -5.172   4.663  -7.544
  128   HG21  ILE  16          HG21      ILE  16  -2.944   7.170  -9.407
  129   HG22  ILE  16          HG22      ILE  16  -3.743   6.948  -7.851
  130   HG23  ILE  16          HG23      ILE  16  -2.266   6.058  -8.218
  131   HD11  ILE  16          HD11      ILE  16  -3.865   2.402  -8.998
  132   HD12  ILE  16          HD12      ILE  16  -5.279   2.384  -7.943
  133   HD13  ILE  16          HD13      ILE  16  -5.392   3.087  -9.556
  134    H    LYS  17           H        LYS  17  -5.163   8.376  -9.475
  135    HA   LYS  17           HA       LYS  17  -6.420   8.467  -6.909
  136    HB2  LYS  17           HB2      LYS  17  -6.045  10.808  -6.974
  137    HB3  LYS  17           HB3      LYS  17  -4.657  10.071  -7.764
  138    HG2  LYS  17           HG2      LYS  17  -5.041  11.641  -9.319
  139    HG3  LYS  17           HG3      LYS  17  -6.250  10.491  -9.895
  140    HD2  LYS  17           HD2      LYS  17  -7.574  12.335  -9.749
  141    HD3  LYS  17           HD3      LYS  17  -7.737  11.763  -8.087
  142    HE2  LYS  17           HE2      LYS  17  -6.377  13.412  -7.245
  143    HE3  LYS  17           HE3      LYS  17  -5.499  13.612  -8.760
  144    HZ1  LYS  17           HZ1      LYS  17  -8.299  14.480  -8.287
  145    HZ2  LYS  17           HZ2      LYS  17  -7.406  14.723  -9.702
  146    HZ3  LYS  17           HZ3      LYS  17  -6.949  15.500  -8.270
  147    H    LYS  18           H        LYS  18  -7.551   8.494 -10.132
  148    HA   LYS  18           HA       LYS  18  -9.999   9.917  -9.610
  149    HB2  LYS  18           HB2      LYS  18  -8.739   8.580 -11.933
  150    HB3  LYS  18           HB3      LYS  18 -10.498   8.629 -11.929
  151    HG2  LYS  18           HG2      LYS  18  -9.145  11.168 -11.301
  152    HG3  LYS  18           HG3      LYS  18  -8.945  10.568 -12.949
  153    HD2  LYS  18           HD2      LYS  18 -10.883  11.707 -13.258
  154    HD3  LYS  18           HD3      LYS  18 -11.578  10.191 -12.678
  155    HE2  LYS  18           HE2      LYS  18 -12.626  11.969 -11.484
  156    HE3  LYS  18           HE3      LYS  18 -11.533  11.150 -10.369
  157    HZ1  LYS  18           HZ1      LYS  18 -10.491  13.446 -11.848
  158    HZ2  LYS  18           HZ2      LYS  18 -10.145  12.927 -10.276
  159    HZ3  LYS  18           HZ3      LYS  18 -11.583  13.758 -10.595
  160    H    PHE  19           H        PHE  19  -8.886   6.661  -9.371
  161    HA   PHE  19           HA       PHE  19 -11.603   5.820  -8.624
  162    HB2  PHE  19           HB2      PHE  19  -9.653   4.004 -10.040
  163    HB3  PHE  19           HB3      PHE  19 -11.364   3.725  -9.730
  164    HD1  PHE  19           HD2      PHE  19  -8.930   5.471 -11.826
  165    HD2  PHE  19           HD1      PHE  19 -13.061   4.745 -11.105
  166    HE1  PHE  19           HE2      PHE  19  -9.477   6.408 -14.034
  167    HE2  PHE  19           HE1      PHE  19 -13.615   5.681 -13.312
  168    HZ   PHE  19           HZ       PHE  19 -11.821   6.515 -14.780
  169    H    TYR  20           H        TYR  20  -9.196   6.701  -7.102
  170    HA   TYR  20           HA       TYR  20  -8.007   4.456  -5.853
  171    HB2  TYR  20           HB2      TYR  20  -7.206   6.908  -5.885
  172    HB3  TYR  20           HB3      TYR  20  -8.312   7.145  -4.537
  173    HD1  TYR  20           HD2      TYR  20  -5.583   4.818  -5.593
  174    HD2  TYR  20           HD1      TYR  20  -7.471   6.905  -2.402
  175    HE1  TYR  20           HE2      TYR  20  -3.859   3.996  -4.044
  176    HE2  TYR  20           HE1      TYR  20  -5.751   6.090  -0.844
  177    HH   TYR  20           HH       TYR  20  -2.997   4.184  -1.981
  178    H    LYS  21           H        LYS  21 -10.999   6.129  -5.382
  179    HA   LYS  21           HA       LYS  21 -11.513   5.307  -2.716
  180    HB2  LYS  21           HB2      LYS  21 -13.067   6.517  -4.930
  181    HB3  LYS  21           HB3      LYS  21 -13.995   5.655  -3.709
  182    HG2  LYS  21           HG2      LYS  21 -12.929   7.052  -1.970
  183    HG3  LYS  21           HG3      LYS  21 -12.117   7.962  -3.246
  184    HD2  LYS  21           HD2      LYS  21 -13.940   9.297  -2.975
  185    HD3  LYS  21           HD3      LYS  21 -14.614   8.161  -4.147
  186    HE2  LYS  21           HE2      LYS  21 -16.261   8.224  -2.528
  187    HE3  LYS  21           HE3      LYS  21 -15.321   6.813  -2.043
  188    HZ1  LYS  21           HZ1      LYS  21 -14.079   8.789  -0.720
  189    HZ2  LYS  21           HZ2      LYS  21 -15.298   7.819  -0.061
  190    HZ3  LYS  21           HZ3      LYS  21 -15.678   9.341  -0.694
  191    H    GLN  22           H        GLN  22 -11.743   3.728  -5.775
  192    HA   GLN  22           HA       GLN  22 -13.296   1.533  -4.589
  193    HB2  GLN  22           HB2      GLN  22 -12.626   1.866  -7.508
  194    HB3  GLN  22           HB3      GLN  22 -13.868   0.847  -6.792
  195    HG2  GLN  22           HG2      GLN  22 -15.146   2.564  -7.560
  196    HG3  GLN  22           HG3      GLN  22 -14.802   3.141  -5.930
  197   HE21  GLN  22          HE21      GLN  22 -14.033   3.486  -9.316
  198   HE22  GLN  22          HE22      GLN  22 -13.300   5.045  -9.193
  199    H    ILE  23           H        ILE  23 -10.509   2.029  -6.760
  200    HA   ILE  23           HA       ILE  23  -9.520  -0.541  -6.796
  201    HB   ILE  23           HB       ILE  23  -7.902   2.009  -6.753
  202   HG12  ILE  23          HG12      ILE  23  -8.832   0.397  -9.133
  203   HG13  ILE  23          HG13      ILE  23  -9.694   1.805  -8.523
  204   HG21  ILE  23          HG21      ILE  23  -6.452   0.165  -6.312
  205   HG22  ILE  23          HG22      ILE  23  -7.191  -0.793  -7.594
  206   HG23  ILE  23          HG23      ILE  23  -6.231   0.629  -7.999
  207   HD11  ILE  23          HD11      ILE  23  -6.926   1.719  -9.688
  208   HD12  ILE  23          HD12      ILE  23  -8.360   2.495 -10.361
  209   HD13  ILE  23          HD13      ILE  23  -7.617   3.133  -8.894
  210    H    MET  24           H        MET  24  -8.464   2.056  -4.584
  211    HA   MET  24           HA       MET  24  -6.787   0.507  -2.996
  212    HB2  MET  24           HB2      MET  24  -7.015   3.024  -2.990
  213    HB3  MET  24           HB3      MET  24  -8.453   2.818  -1.998
  214    HG2  MET  24           HG2      MET  24  -5.970   1.494  -1.082
  215    HG3  MET  24           HG3      MET  24  -6.048   3.251  -0.969
  216    HE1  MET  24           HE1      MET  24  -7.133   4.528   0.312
  217    HE2  MET  24           HE2      MET  24  -8.647   4.233   1.168
  218    HE3  MET  24           HE3      MET  24  -7.105   3.988   1.991
  219    H    GLN  25           H        GLN  25 -10.236   0.665  -3.097
  220    HA   GLN  25           HA       GLN  25 -10.602  -0.555  -0.501
  221    HB2  GLN  25           HB2      GLN  25 -12.352   0.529  -2.626
  222    HB3  GLN  25           HB3      GLN  25 -13.028  -0.780  -1.665
  223    HG2  GLN  25           HG2      GLN  25 -12.208   0.652   0.350
  224    HG3  GLN  25           HG3      GLN  25 -12.220   1.963  -0.829
  225   HE21  GLN  25          HE21      GLN  25 -14.181  -0.458   0.773
  226   HE22  GLN  25          HE22      GLN  25 -15.698   0.331   0.525
  227    H    PHE  26           H        PHE  26 -10.348  -1.551  -3.819
  228    HA   PHE  26           HA       PHE  26 -11.479  -4.152  -3.450
  229    HB2  PHE  26           HB2      PHE  26  -9.799  -2.933  -5.641
  230    HB3  PHE  26           HB3      PHE  26 -10.362  -4.601  -5.691
  231    HD1  PHE  26           HD1      PHE  26 -13.076  -4.374  -4.635
  232    HD2  PHE  26           HD2      PHE  26 -10.956  -1.832  -7.311
  233    HE1  PHE  26           HE1      PHE  26 -15.208  -3.625  -5.608
  234    HE2  PHE  26           HE2      PHE  26 -13.084  -1.079  -8.287
  235    HZ   PHE  26           HZ       PHE  26 -15.214  -1.974  -7.436
  236    H    ILE  27           H        ILE  27  -8.280  -2.759  -3.222
  237    HA   ILE  27           HA       ILE  27  -6.758  -5.114  -3.278
  238    HB   ILE  27           HB       ILE  27  -6.185  -2.561  -1.768
  239   HG12  ILE  27          HG12      ILE  27  -6.542  -2.238  -4.195
  240   HG13  ILE  27          HG13      ILE  27  -4.876  -1.922  -3.722
  241   HG21  ILE  27          HG21      ILE  27  -4.623  -5.035  -2.251
  242   HG22  ILE  27          HG22      ILE  27  -3.766  -3.497  -2.337
  243   HG23  ILE  27          HG23      ILE  27  -4.623  -3.947  -0.863
  244   HD11  ILE  27          HD11      ILE  27  -4.123  -3.448  -5.134
  245   HD12  ILE  27          HD12      ILE  27  -5.218  -4.673  -4.490
  246   HD13  ILE  27          HD13      ILE  27  -5.765  -3.582  -5.763
  247    H    GLY  28           H        GLY  28  -7.961  -3.271  -0.466
  248    HA2  GLY  28           HA2      GLY  28  -7.065  -5.034   1.509
  249    HA3  GLY  28           HA3      GLY  28  -8.419  -3.928   1.684
  250    H    GLN  29           H        GLN  29  -9.672  -5.366  -0.712
  251    HA   GLN  29           HA       GLN  29 -11.167  -7.246   0.869
  252    HB2  GLN  29           HB2      GLN  29 -12.399  -5.941  -0.708
  253    HB3  GLN  29           HB3      GLN  29 -11.328  -6.406  -2.024
  254    HG2  GLN  29           HG2      GLN  29 -13.415  -7.581  -2.218
  255    HG3  GLN  29           HG3      GLN  29 -12.126  -8.720  -1.831
  256   HE21  GLN  29          HE21      GLN  29 -14.109  -9.992  -1.273
  257   HE22  GLN  29          HE22      GLN  29 -14.691  -9.873   0.349
  258    H    GLY  30           H        GLY  30  -8.551  -7.379  -1.401
  259    HA2  GLY  30           HA2      GLY  30  -7.134  -9.363  -1.306
  260    HA3  GLY  30           HA3      GLY  30  -8.602 -10.324  -1.197
  261    H    TRP  31           H        TRP  31  -8.606  -7.663  -3.380
  262    HA   TRP  31           HA       TRP  31  -8.958  -9.443  -5.613
  263    HB2  TRP  31           HB2      TRP  31  -9.100  -6.478  -5.213
  264    HB3  TRP  31           HB3      TRP  31  -8.991  -7.126  -6.847
  265    HD1  TRP  31           HD1      TRP  31 -11.000  -9.056  -4.253
  266    HE1  TRP  31           HE1      TRP  31 -13.497  -8.924  -4.864
  267    HE3  TRP  31           HE3      TRP  31 -10.732  -5.608  -8.018
  268    HZ2  TRP  31           HZ2      TRP  31 -15.136  -7.542  -6.700
  269    HZ3  TRP  31           HZ3      TRP  31 -12.810  -4.936  -9.151
  270    HH2  TRP  31           HH2      TRP  31 -14.965  -5.884  -8.505
  271    H    THR  32           H        THR  32  -7.553  -9.906  -7.220
  272    HA   THR  32           HA       THR  32  -4.772  -9.350  -6.782
  273    HB   THR  32           HB       THR  32  -4.333 -10.760  -8.682
  274    HG1  THR  32           HG1      THR  32  -7.127 -10.862  -9.198
  275   HG21  THR  32          HG21      THR  32  -5.312 -11.710  -6.463
  276   HG22  THR  32          HG22      THR  32  -5.159 -12.768  -7.866
  277   HG23  THR  32          HG23      THR  32  -6.725 -12.073  -7.452
  278    H    ILE  33           H        ILE  33  -3.620  -8.996  -9.172
  279    HA   ILE  33           HA       ILE  33  -4.026  -6.225  -9.676
  280    HB   ILE  33           HB       ILE  33  -2.379  -8.225 -11.229
  281   HG12  ILE  33          HG12      ILE  33  -0.617  -6.671  -9.857
  282   HG13  ILE  33          HG13      ILE  33  -1.954  -6.737  -8.714
  283   HG21  ILE  33          HG21      ILE  33  -1.353  -5.582 -11.368
  284   HG22  ILE  33          HG22      ILE  33  -1.954  -6.600 -12.676
  285   HG23  ILE  33          HG23      ILE  33  -3.060  -5.534 -11.810
  286   HD11  ILE  33          HD11      ILE  33   0.051  -8.648  -9.147
  287   HD12  ILE  33          HD12      ILE  33  -1.348  -8.763  -8.080
  288   HD13  ILE  33          HD13      ILE  33  -1.452  -9.354  -9.738
  289    H    ASP  34           H        ASP  34  -4.710  -9.172 -11.527
  290    HA   ASP  34           HA       ASP  34  -5.694  -7.890 -13.835
  291    HB2  ASP  34           HB2      ASP  34  -6.437 -10.619 -12.760
  292    HB3  ASP  34           HB3      ASP  34  -6.654 -10.058 -14.416
  293    H    GLN  35           H        GLN  35  -7.149  -8.651 -10.765
  294    HA   GLN  35           HA       GLN  35  -9.850  -8.555 -11.410
  295    HB2  GLN  35           HB2      GLN  35  -8.238  -8.122  -8.972
  296    HB3  GLN  35           HB3      GLN  35  -9.843  -7.402  -8.958
  297    HG2  GLN  35           HG2      GLN  35  -9.323 -10.291  -9.604
  298    HG3  GLN  35           HG3      GLN  35  -9.688  -9.698  -7.985
  299   HE21  GLN  35          HE21      GLN  35 -10.928 -10.397 -11.128
  300   HE22  GLN  35          HE22      GLN  35 -12.599 -10.168 -10.754
  301    H    ILE  36           H        ILE  36  -7.796  -5.871 -10.270
  302    HA   ILE  36           HA       ILE  36  -9.818  -3.914 -10.825
  303    HB   ILE  36           HB       ILE  36  -6.888  -3.532 -10.196
  304   HG12  ILE  36          HG12      ILE  36  -8.125  -2.756  -7.965
  305   HG13  ILE  36          HG13      ILE  36  -9.330  -3.908  -8.529
  306   HG21  ILE  36          HG21      ILE  36  -7.615  -1.544 -11.214
  307   HG22  ILE  36          HG22      ILE  36  -9.183  -1.608 -10.411
  308   HG23  ILE  36          HG23      ILE  36  -7.731  -1.238  -9.482
  309   HD11  ILE  36          HD11      ILE  36  -8.116  -5.611  -7.813
  310   HD12  ILE  36          HD12      ILE  36  -6.697  -5.042  -8.694
  311   HD13  ILE  36          HD13      ILE  36  -7.024  -4.444  -7.067
  312    H    GLU  37           H        GLU  37  -6.710  -4.797 -12.308
  313    HA   GLU  37           HA       GLU  37  -6.588  -2.897 -14.305
  314    HB2  GLU  37           HB2      GLU  37  -5.647  -5.745 -14.168
  315    HB3  GLU  37           HB3      GLU  37  -5.418  -4.798 -15.632
  316    HG2  GLU  37           HG2      GLU  37  -4.435  -3.970 -12.913
  317    HG3  GLU  37           HG3      GLU  37  -3.460  -4.824 -14.108
  318    H    LYS  38           H        LYS  38  -8.600  -5.734 -14.088
  319    HA   LYS  38           HA       LYS  38  -9.540  -5.385 -16.835
  320    HB2  LYS  38           HB2      LYS  38  -8.995  -7.665 -15.978
  321    HB3  LYS  38           HB3      LYS  38 -10.305  -7.502 -14.816
  322    HG2  LYS  38           HG2      LYS  38 -11.903  -7.290 -16.663
  323    HG3  LYS  38           HG3      LYS  38 -10.581  -7.489 -17.816
  324    HD2  LYS  38           HD2      LYS  38 -10.334  -9.719 -17.355
  325    HD3  LYS  38           HD3      LYS  38 -10.935  -9.555 -15.703
  326    HE2  LYS  38           HE2      LYS  38 -13.206  -9.097 -16.712
  327    HE3  LYS  38           HE3      LYS  38 -12.524  -9.594 -18.260
  328    HZ1  LYS  38           HZ1      LYS  38 -13.212 -11.611 -17.622
  329    HZ2  LYS  38           HZ2      LYS  38 -13.294 -11.199 -15.984
  330    HZ3  LYS  38           HZ3      LYS  38 -11.811 -11.631 -16.674
  331    H    TRP  39           H        TRP  39 -10.526  -4.916 -13.532
  332    HA   TRP  39           HA       TRP  39 -13.311  -4.616 -14.033
  333    HB2  TRP  39           HB2      TRP  39 -12.525  -5.134 -11.798
  334    HB3  TRP  39           HB3      TRP  39 -11.587  -3.644 -11.746
  335    HD1  TRP  39           HD1      TRP  39 -15.020  -5.012 -11.069
  336    HE1  TRP  39           HE1      TRP  39 -16.548  -3.127 -10.211
  337    HE3  TRP  39           HE3      TRP  39 -12.003  -1.005 -12.062
  338    HZ2  TRP  39           HZ2      TRP  39 -16.484  -0.314  -9.986
  339    HZ3  TRP  39           HZ3      TRP  39 -12.811   1.249 -11.495
  340    HH2  TRP  39           HH2      TRP  39 -15.006   1.585 -10.479
  341    H    LEU  40           H        LEU  40 -10.561  -2.460 -14.128
  342    HA   LEU  40           HA       LEU  40 -12.296  -0.144 -14.540
  343    HB2  LEU  40           HB2      LEU  40 -10.470   0.167 -13.000
  344    HB3  LEU  40           HB3      LEU  40  -9.312  -0.392 -14.206
  345    HG   LEU  40           HG       LEU  40  -9.632   1.598 -15.515
  346   HD11  LEU  40          HD11      LEU  40 -12.035   1.879 -15.111
  347   HD12  LEU  40          HD12      LEU  40 -11.140   3.376 -14.847
  348   HD13  LEU  40          HD13      LEU  40 -11.688   2.421 -13.469
  349   HD21  LEU  40          HD21      LEU  40  -8.646   1.583 -12.848
  350   HD22  LEU  40          HD22      LEU  40  -9.402   3.147 -13.154
  351   HD23  LEU  40          HD23      LEU  40  -8.118   2.565 -14.215
  352    H    LYS  41           H        LYS  41  -9.593  -1.812 -16.142
  353    HA   LYS  41           HA       LYS  41  -9.004  -1.998 -18.331
  354    HB2  LYS  41           HB2      LYS  41 -11.562  -2.528 -18.400
  355    HB3  LYS  41           HB3      LYS  41 -11.686  -0.950 -19.168
  356    HG2  LYS  41           HG2      LYS  41 -10.550  -1.628 -21.053
  357    HG3  LYS  41           HG3      LYS  41  -9.741  -2.955 -20.216
  358    HD2  LYS  41           HD2      LYS  41 -11.310  -4.076 -21.492
  359    HD3  LYS  41           HD3      LYS  41 -12.151  -3.901 -19.950
  360    HE2  LYS  41           HE2      LYS  41 -12.951  -1.639 -21.091
  361    HE3  LYS  41           HE3      LYS  41 -12.646  -2.568 -22.557
  362    HZ1  LYS  41           HZ1      LYS  41 -14.195  -3.852 -20.436
  363    HZ2  LYS  41           HZ2      LYS  41 -14.336  -3.997 -22.116
  364    HZ3  LYS  41           HZ3      LYS  41 -14.959  -2.634 -21.330
  365    H    ARG  42           H        ARG  42  -8.700   0.541 -16.861
  366    HA   ARG  42           HA       ARG  42  -8.004   2.677 -17.219
  367    HB2  ARG  42           HB2      ARG  42  -7.481   1.429 -19.909
  368    HB3  ARG  42           HB3      ARG  42  -7.086   3.111 -19.578
  369    HG2  ARG  42           HG2      ARG  42  -5.400   2.570 -18.111
  370    HG3  ARG  42           HG3      ARG  42  -6.084   0.985 -17.745
  371    HD2  ARG  42           HD2      ARG  42  -5.168   0.010 -19.593
  372    HD3  ARG  42           HD3      ARG  42  -5.210   1.501 -20.533
  373    HE   ARG  42           HE       ARG  42  -3.335   1.549 -18.352
  374   HH11  ARG  42          HH11      ARG  42  -3.840   0.685 -21.687
  375   HH12  ARG  42          HH12      ARG  42  -2.159   0.769 -22.099
  376   HH21  ARG  42          HH21      ARG  42  -1.119   1.663 -18.882
  377   HH22  ARG  42          HH22      ARG  42  -0.612   1.325 -20.503
  378    H    HIS  43           H        HIS  43 -10.756   2.327 -17.301
  379    HA   HIS  43           HA       HIS  43 -12.137   3.291 -19.487
  380    HB2  HIS  43           HB2      HIS  43 -12.618   3.188 -16.575
  381    HB3  HIS  43           HB3      HIS  43 -13.571   4.381 -17.454
  382    HD1  HIS  43           HD1      HIS  43 -12.734   1.238 -19.236
  383    HD2  HIS  43           HD2      HIS  43 -15.870   2.784 -16.991
  384    HE1  HIS  43           HE1      HIS  43 -14.675  -0.308 -19.639
  Start of MODEL   20
    1    HCN  FME   1           HF       FME   1  -3.656  -2.655   2.461
    2    HA   FME   1           HA       FME   1  -2.768  -0.718  -0.510
    3    HB2  FME   1           HB2      FME   1  -3.065   1.491   0.385
    4    HB3  FME   1           HB3      FME   1  -1.591   1.389  -0.642
    5    HG2  FME   1           HG2      FME   1  -0.923   2.746   1.214
    6    HG3  FME   1           HG3      FME   1  -0.235   1.127   1.597
    7    HE1  FME   1           HE8      FME   1  -1.089   3.827   2.978
    8    HE2  FME   1           HE2      FME   1  -1.936   3.530   4.551
    9    HE3  FME   1           HE3      FME   1  -2.892   3.968   3.068
   10    H    GLY   2           H        GLY   2  -1.799  -2.830  -0.483
   11    HA2  GLY   2           HA2      GLY   2   1.139  -2.606  -0.692
   12    HA3  GLY   2           HA3      GLY   2   0.282  -4.102  -0.353
   13    H    ALA   3           H        ALA   3  -1.785  -3.376  -2.401
   14    HA   ALA   3           HA       ALA   3  -0.289  -4.384  -4.702
   15    HB1  ALA   3           HB1      ALA   3  -3.148  -4.447  -3.872
   16    HB2  ALA   3           HB2      ALA   3  -2.757  -4.573  -5.588
   17    HB3  ALA   3           HB3      ALA   3  -2.109  -5.752  -4.447
   18    H    ILE   4           H        ILE   4  -0.276  -1.535  -3.789
   19    HA   ILE   4           HA       ILE   4  -1.610  -0.190  -6.016
   20    HB   ILE   4           HB       ILE   4  -0.010   1.194  -3.885
   21   HG12  ILE   4          HG12      ILE   4  -1.569  -0.262  -2.703
   22   HG13  ILE   4          HG13      ILE   4  -2.099   1.412  -2.578
   23   HG21  ILE   4          HG21      ILE   4  -1.690   1.978  -6.087
   24   HG22  ILE   4          HG22      ILE   4  -2.305   2.628  -4.568
   25   HG23  ILE   4          HG23      ILE   4  -0.647   2.966  -5.065
   26   HD11  ILE   4          HD11      ILE   4  -3.204  -0.592  -4.530
   27   HD12  ILE   4          HD12      ILE   4  -3.939  -0.170  -2.983
   28   HD13  ILE   4          HD13      ILE   4  -3.787   1.048  -4.249
   29    H    ALA   5           H        ALA   5   0.741  -1.903  -6.417
   30    HA   ALA   5           HA       ALA   5   2.623   0.117  -7.449
   31    HB1  ALA   5           HB1      ALA   5   3.894  -2.403  -7.371
   32    HB2  ALA   5           HB2      ALA   5   4.244  -0.972  -6.400
   33    HB3  ALA   5           HB3      ALA   5   3.091  -2.173  -5.817
   34    H    LYS   6           H        LYS   6   1.032  -2.972  -8.089
   35    HA   LYS   6           HA       LYS   6   2.053  -3.213 -10.750
   36    HB2  LYS   6           HB2      LYS   6  -0.362  -4.580  -9.554
   37    HB3  LYS   6           HB3      LYS   6   0.553  -5.095 -10.965
   38    HG2  LYS   6           HG2      LYS   6   1.760  -4.902  -8.221
   39    HG3  LYS   6           HG3      LYS   6   0.985  -6.365  -8.836
   40    HD2  LYS   6           HD2      LYS   6   2.577  -6.127 -10.836
   41    HD3  LYS   6           HD3      LYS   6   3.471  -4.995  -9.818
   42    HE2  LYS   6           HE2      LYS   6   4.406  -7.241  -9.660
   43    HE3  LYS   6           HE3      LYS   6   3.729  -6.729  -8.115
   44    HZ1  LYS   6           HZ1      LYS   6   3.219  -9.079  -8.977
   45    HZ2  LYS   6           HZ2      LYS   6   2.109  -8.315  -9.999
   46    HZ3  LYS   6           HZ3      LYS   6   1.952  -8.169  -8.321
   47    H    LEU   7           H        LEU   7  -0.760  -1.764  -9.284
   48    HA   LEU   7           HA       LEU   7  -2.128  -1.388 -11.802
   49    HB2  LEU   7           HB2      LEU   7  -2.831   0.030  -9.263
   50    HB3  LEU   7           HB3      LEU   7  -3.887  -0.492 -10.574
   51    HG   LEU   7           HG       LEU   7  -2.523  -2.392  -8.673
   52   HD11  LEU   7          HD11      LEU   7  -4.801  -2.589  -7.652
   53   HD12  LEU   7          HD12      LEU   7  -5.257  -1.139  -8.545
   54   HD13  LEU   7          HD13      LEU   7  -3.975  -1.062  -7.337
   55   HD21  LEU   7          HD21      LEU   7  -4.705  -3.660  -9.586
   56   HD22  LEU   7          HD22      LEU   7  -3.126  -3.764 -10.364
   57   HD23  LEU   7          HD23      LEU   7  -4.343  -2.647 -10.984
   58    H    VAL   8           H        VAL   8  -0.470   0.667  -9.426
   59    HA   VAL   8           HA       VAL   8  -0.819   3.091 -10.839
   60    HB   VAL   8           HB       VAL   8   1.316   2.346  -8.834
   61   HG11  VAL   8          HG11      VAL   8   0.961   4.693 -10.448
   62   HG12  VAL   8          HG12      VAL   8   0.768   5.094  -8.741
   63   HG13  VAL   8          HG13      VAL   8   2.245   4.308  -9.302
   64   HG21  VAL   8          HG21      VAL   8  -0.082   3.108  -7.149
   65   HG22  VAL   8          HG22      VAL   8  -1.103   4.015  -8.264
   66   HG23  VAL   8          HG23      VAL   8  -1.200   2.255  -8.214
   67    H    ALA   9           H        ALA   9   1.585   0.552 -10.998
   68    HA   ALA   9           HA       ALA   9   3.666   1.801 -12.306
   69    HB1  ALA   9           HB1      ALA   9   2.676  -0.950 -12.091
   70    HB2  ALA   9           HB2      ALA   9   3.650  -0.629 -13.526
   71    HB3  ALA   9           HB3      ALA   9   4.312  -0.313 -11.922
   72    H    LYS  10           H        LYS  10   0.541   0.873 -13.543
   73    HA   LYS  10           HA       LYS  10   1.353   1.653 -16.258
   74    HB2  LYS  10           HB2      LYS  10  -1.212   0.293 -15.424
   75    HB3  LYS  10           HB3      LYS  10  -0.593   0.488 -17.059
   76    HG2  LYS  10           HG2      LYS  10   0.732  -1.146 -14.904
   77    HG3  LYS  10           HG3      LYS  10  -0.310  -1.794 -16.173
   78    HD2  LYS  10           HD2      LYS  10   2.159  -0.180 -16.768
   79    HD3  LYS  10           HD3      LYS  10   2.194  -1.934 -16.574
   80    HE2  LYS  10           HE2      LYS  10   0.924  -2.297 -18.481
   81    HE3  LYS  10           HE3      LYS  10   0.255  -0.666 -18.466
   82    HZ1  LYS  10           HZ1      LYS  10   2.761  -0.045 -18.836
   83    HZ2  LYS  10           HZ2      LYS  10   1.767  -0.472 -20.136
   84    HZ3  LYS  10           HZ3      LYS  10   2.834  -1.608 -19.480
   85    H    PHE  11           H        PHE  11  -1.030   2.288 -13.730
   86    HA   PHE  11           HA       PHE  11  -2.373   4.331 -15.236
   87    HB2  PHE  11           HB2      PHE  11  -2.512   3.629 -12.296
   88    HB3  PHE  11           HB3      PHE  11  -3.583   4.761 -13.117
   89    HD1  PHE  11           HD2      PHE  11  -4.126   3.345 -15.631
   90    HD2  PHE  11           HD1      PHE  11  -3.881   1.881 -11.641
   91    HE1  PHE  11           HE2      PHE  11  -5.631   1.491 -16.222
   92    HE2  PHE  11           HE1      PHE  11  -5.385   0.024 -12.227
   93    HZ   PHE  11           HZ       PHE  11  -6.263  -0.173 -14.519
   94    H    GLY  12           H        GLY  12  -0.840   4.627 -12.035
   95    HA2  GLY  12           HA2      GLY  12   1.134   6.120 -11.846
   96    HA3  GLY  12           HA3      GLY  12   0.293   7.201 -12.948
   97    H    TRP  13           H        TRP  13   1.100   8.397 -10.774
   98    HA   TRP  13           HA       TRP  13  -0.622   8.209  -8.526
   99    HB2  TRP  13           HB2      TRP  13   0.804  10.756  -9.156
  100    HB3  TRP  13           HB3      TRP  13   0.619   9.926  -7.613
  101    HD1  TRP  13           HD1      TRP  13   3.195  10.685 -10.034
  102    HE1  TRP  13           HE1      TRP  13   5.198   9.082  -9.831
  103    HE3  TRP  13           HE3      TRP  13   1.032   7.043  -7.171
  104    HZ2  TRP  13           HZ2      TRP  13   5.784   6.601  -8.619
  105    HZ3  TRP  13           HZ3      TRP  13   2.382   5.087  -6.534
  106    HH2  TRP  13           HH2      TRP  13   4.709   4.872  -7.244
  107    HA   PRO  14           HA       PRO  14  -2.735  12.123 -10.451
  108    HB2  PRO  14           HB2      PRO  14  -2.243  12.597 -13.078
  109    HB3  PRO  14           HB3      PRO  14  -1.259  13.279 -11.779
  110    HG2  PRO  14           HG2      PRO  14  -0.730  10.887 -13.500
  111    HG3  PRO  14           HG3      PRO  14   0.385  12.170 -12.993
  112    HD2  PRO  14           HD2      PRO  14   0.318   9.742 -11.797
  113    HD3  PRO  14           HD3      PRO  14   0.723  11.229 -10.916
  114    H    PHE  15           H        PHE  15  -2.423   9.033 -11.810
  115    HA   PHE  15           HA       PHE  15  -4.965   9.243 -13.258
  116    HB2  PHE  15           HB2      PHE  15  -2.726   8.122 -14.142
  117    HB3  PHE  15           HB3      PHE  15  -3.350   6.735 -13.256
  118    HD1  PHE  15           HD1      PHE  15  -5.529   5.747 -13.888
  119    HD2  PHE  15           HD2      PHE  15  -3.676   8.803 -16.200
  120    HE1  PHE  15           HE1      PHE  15  -6.983   5.184 -15.792
  121    HE2  PHE  15           HE2      PHE  15  -5.127   8.245 -18.106
  122    HZ   PHE  15           HZ       PHE  15  -6.784   6.434 -17.904
  123    H    ILE  16           H        ILE  16  -3.334   7.224 -10.831
  124    HA   ILE  16           HA       ILE  16  -5.525   5.581 -10.222
  125    HB   ILE  16           HB       ILE  16  -3.162   5.146  -9.533
  126   HG12  ILE  16          HG12      ILE  16  -5.150   5.116  -7.252
  127   HG13  ILE  16          HG13      ILE  16  -5.115   3.940  -8.561
  128   HG21  ILE  16          HG21      ILE  16  -2.776   7.482  -8.702
  129   HG22  ILE  16          HG22      ILE  16  -3.724   7.058  -7.278
  130   HG23  ILE  16          HG23      ILE  16  -2.220   6.204  -7.621
  131   HD11  ILE  16          HD11      ILE  16  -4.013   3.333  -6.330
  132   HD12  ILE  16          HD12      ILE  16  -3.129   2.997  -7.819
  133   HD13  ILE  16          HD13      ILE  16  -2.711   4.406  -6.844
  134    H    LYS  17           H        LYS  17  -4.669   8.794  -9.173
  135    HA   LYS  17           HA       LYS  17  -6.310   8.962  -6.892
  136    HB2  LYS  17           HB2      LYS  17  -5.969  11.308  -6.988
  137    HB3  LYS  17           HB3      LYS  17  -4.488  10.576  -7.591
  138    HG2  LYS  17           HG2      LYS  17  -4.728  12.115  -9.212
  139    HG3  LYS  17           HG3      LYS  17  -5.800  10.897  -9.907
  140    HD2  LYS  17           HD2      LYS  17  -7.694  12.066  -9.375
  141    HD3  LYS  17           HD3      LYS  17  -6.954  12.838  -7.971
  142    HE2  LYS  17           HE2      LYS  17  -5.495  14.073  -9.703
  143    HE3  LYS  17           HE3      LYS  17  -6.712  13.560 -10.871
  144    HZ1  LYS  17           HZ1      LYS  17  -6.861  15.594  -8.833
  145    HZ2  LYS  17           HZ2      LYS  17  -8.214  14.582  -8.887
  146    HZ3  LYS  17           HZ3      LYS  17  -7.741  15.434 -10.269
  147    H    LYS  18           H        LYS  18  -7.036   8.989 -10.255
  148    HA   LYS  18           HA       LYS  18  -9.534  10.362 -10.088
  149    HB2  LYS  18           HB2      LYS  18  -7.888   9.533 -12.141
  150    HB3  LYS  18           HB3      LYS  18  -9.263   8.447 -12.285
  151    HG2  LYS  18           HG2      LYS  18  -9.886  11.310 -11.931
  152    HG3  LYS  18           HG3      LYS  18  -9.149  10.842 -13.465
  153    HD2  LYS  18           HD2      LYS  18 -10.919   9.045 -13.622
  154    HD3  LYS  18           HD3      LYS  18 -11.713   9.827 -12.252
  155    HE2  LYS  18           HE2      LYS  18 -10.962  11.436 -14.655
  156    HE3  LYS  18           HE3      LYS  18 -12.408  10.430 -14.695
  157    HZ1  LYS  18           HZ1      LYS  18 -13.029  12.600 -13.991
  158    HZ2  LYS  18           HZ2      LYS  18 -11.821  12.642 -12.808
  159    HZ3  LYS  18           HZ3      LYS  18 -13.133  11.588 -12.639
  160    H    PHE  19           H        PHE  19  -8.489   7.104  -9.559
  161    HA   PHE  19           HA       PHE  19 -11.239   6.369  -8.867
  162    HB2  PHE  19           HB2      PHE  19  -9.383   4.732 -10.603
  163    HB3  PHE  19           HB3      PHE  19 -10.867   4.111  -9.888
  164    HD1  PHE  19           HD2      PHE  19 -13.056   5.092 -10.574
  165    HD2  PHE  19           HD1      PHE  19  -9.414   6.020 -12.572
  166    HE1  PHE  19           HE2      PHE  19 -14.332   5.917 -12.508
  167    HE2  PHE  19           HE1      PHE  19 -10.685   6.847 -14.510
  168    HZ   PHE  19           HZ       PHE  19 -13.147   6.795 -14.480
  169    H    TYR  20           H        TYR  20  -9.225   7.153  -7.111
  170    HA   TYR  20           HA       TYR  20  -7.881   4.865  -6.025
  171    HB2  TYR  20           HB2      TYR  20  -7.032   7.216  -5.843
  172    HB3  TYR  20           HB3      TYR  20  -8.343   7.552  -4.718
  173    HD1  TYR  20           HD1      TYR  20  -5.762   4.871  -5.139
  174    HD2  TYR  20           HD2      TYR  20  -7.700   7.599  -2.512
  175    HE1  TYR  20           HE1      TYR  20  -4.365   4.065  -3.282
  176    HE2  TYR  20           HE2      TYR  20  -6.308   6.802  -0.648
  177    HH   TYR  20           HH       TYR  20  -3.599   4.712  -1.139
  178    H    LYS  21           H        LYS  21 -10.956   6.381  -5.584
  179    HA   LYS  21           HA       LYS  21 -11.538   5.382  -2.992
  180    HB2  LYS  21           HB2      LYS  21 -12.749   7.271  -4.029
  181    HB3  LYS  21           HB3      LYS  21 -13.444   6.164  -5.206
  182    HG2  LYS  21           HG2      LYS  21 -15.152   6.304  -3.700
  183    HG3  LYS  21           HG3      LYS  21 -14.282   4.906  -3.065
  184    HD2  LYS  21           HD2      LYS  21 -14.577   6.141  -1.148
  185    HD3  LYS  21           HD3      LYS  21 -12.998   6.725  -1.678
  186    HE2  LYS  21           HE2      LYS  21 -15.469   8.118  -2.607
  187    HE3  LYS  21           HE3      LYS  21 -14.876   8.408  -0.973
  188    HZ1  LYS  21           HZ1      LYS  21 -12.633   8.692  -2.369
  189    HZ2  LYS  21           HZ2      LYS  21 -13.672   9.978  -2.012
  190    HZ3  LYS  21           HZ3      LYS  21 -13.752   9.221  -3.522
  191    H    GLN  22           H        GLN  22 -11.766   4.050  -6.203
  192    HA   GLN  22           HA       GLN  22 -13.289   1.748  -5.259
  193    HB2  GLN  22           HB2      GLN  22 -12.228   2.186  -8.045
  194    HB3  GLN  22           HB3      GLN  22 -13.545   1.136  -7.541
  195    HG2  GLN  22           HG2      GLN  22 -13.509   4.118  -7.784
  196    HG3  GLN  22           HG3      GLN  22 -14.596   2.955  -8.541
  197   HE21  GLN  22          HE21      GLN  22 -14.848   5.363  -6.644
  198   HE22  GLN  22          HE22      GLN  22 -15.941   4.797  -5.432
  199    H    ILE  23           H        ILE  23 -10.227   2.345  -6.986
  200    HA   ILE  23           HA       ILE  23  -9.219  -0.221  -6.980
  201    HB   ILE  23           HB       ILE  23  -7.653   2.338  -6.629
  202   HG12  ILE  23          HG12      ILE  23  -8.033   0.831  -9.201
  203   HG13  ILE  23          HG13      ILE  23  -9.239   1.994  -8.662
  204   HG21  ILE  23          HG21      ILE  23  -6.275   0.465  -6.039
  205   HG22  ILE  23          HG22      ILE  23  -6.785  -0.420  -7.476
  206   HG23  ILE  23          HG23      ILE  23  -5.795   1.029  -7.639
  207   HD11  ILE  23          HD11      ILE  23  -6.460   2.438  -9.607
  208   HD12  ILE  23          HD12      ILE  23  -7.943   3.313  -9.992
  209   HD13  ILE  23          HD13      ILE  23  -7.149   3.563  -8.437
  210    H    MET  24           H        MET  24  -8.519   2.302  -4.552
  211    HA   MET  24           HA       MET  24  -7.055   0.714  -2.802
  212    HB2  MET  24           HB2      MET  24  -7.221   3.184  -2.674
  213    HB3  MET  24           HB3      MET  24  -8.868   3.022  -2.079
  214    HG2  MET  24           HG2      MET  24  -7.406   3.434  -0.232
  215    HG3  MET  24           HG3      MET  24  -8.005   1.780  -0.131
  216    HE1  MET  24           HE1      MET  24  -5.413   2.205   1.726
  217    HE2  MET  24           HE2      MET  24  -6.492   0.852   1.389
  218    HE3  MET  24           HE3      MET  24  -4.747   0.651   1.224
  219    H    GLN  25           H        GLN  25 -10.464   0.851  -3.368
  220    HA   GLN  25           HA       GLN  25 -11.166  -0.478  -0.899
  221    HB2  GLN  25           HB2      GLN  25 -12.646   0.587  -3.252
  222    HB3  GLN  25           HB3      GLN  25 -13.421  -0.674  -2.302
  223    HG2  GLN  25           HG2      GLN  25 -12.364   1.904  -1.166
  224    HG3  GLN  25           HG3      GLN  25 -14.042   1.625  -1.629
  225   HE21  GLN  25          HE21      GLN  25 -13.304   2.360   0.936
  226   HE22  GLN  25          HE22      GLN  25 -13.631   1.050   2.013
  227    H    PHE  26           H        PHE  26 -10.406  -1.346  -4.169
  228    HA   PHE  26           HA       PHE  26 -11.545  -3.973  -4.058
  229    HB2  PHE  26           HB2      PHE  26  -9.627  -2.629  -5.958
  230    HB3  PHE  26           HB3      PHE  26 -10.103  -4.315  -6.137
  231    HD1  PHE  26           HD1      PHE  26 -12.932  -4.277  -5.495
  232    HD2  PHE  26           HD2      PHE  26 -10.605  -1.472  -7.694
  233    HE1  PHE  26           HE1      PHE  26 -14.944  -3.578  -6.726
  234    HE2  PHE  26           HE2      PHE  26 -12.614  -0.768  -8.928
  235    HZ   PHE  26           HZ       PHE  26 -14.787  -1.820  -8.444
  236    H    ILE  27           H        ILE  27  -8.370  -2.569  -3.490
  237    HA   ILE  27           HA       ILE  27  -6.916  -4.977  -3.320
  238    HB   ILE  27           HB       ILE  27  -6.345  -2.370  -1.905
  239   HG12  ILE  27          HG12      ILE  27  -6.560  -2.019  -4.304
  240   HG13  ILE  27          HG13      ILE  27  -4.865  -1.913  -3.839
  241   HG21  ILE  27          HG21      ILE  27  -4.676  -4.805  -2.466
  242   HG22  ILE  27          HG22      ILE  27  -3.963  -3.234  -2.104
  243   HG23  ILE  27          HG23      ILE  27  -4.998  -4.027  -0.917
  244   HD11  ILE  27          HD11      ILE  27  -4.445  -3.342  -5.476
  245   HD12  ILE  27          HD12      ILE  27  -5.236  -4.579  -4.498
  246   HD13  ILE  27          HD13      ILE  27  -6.159  -3.686  -5.706
  247    H    GLY  28           H        GLY  28  -8.432  -2.970  -0.800
  248    HA2  GLY  28           HA2      GLY  28  -7.687  -4.628   1.368
  249    HA3  GLY  28           HA3      GLY  28  -8.979  -3.437   1.382
  250    H    GLN  29           H        GLN  29 -10.159  -4.934  -1.009
  251    HA   GLN  29           HA       GLN  29 -11.856  -6.643   0.568
  252    HB2  GLN  29           HB2      GLN  29 -12.921  -5.340  -1.128
  253    HB3  GLN  29           HB3      GLN  29 -11.813  -5.926  -2.362
  254    HG2  GLN  29           HG2      GLN  29 -13.954  -6.985  -2.621
  255    HG3  GLN  29           HG3      GLN  29 -12.759  -8.179  -2.116
  256   HE21  GLN  29          HE21      GLN  29 -14.400  -9.539  -1.360
  257   HE22  GLN  29          HE22      GLN  29 -15.230  -9.222   0.122
  258    H    GLY  30           H        GLY  30  -9.229  -7.034  -1.705
  259    HA2  GLY  30           HA2      GLY  30  -7.883  -9.058  -1.475
  260    HA3  GLY  30           HA3      GLY  30  -9.383  -9.949  -1.258
  261    H    TRP  31           H        TRP  31  -9.261  -7.461  -3.654
  262    HA   TRP  31           HA       TRP  31  -9.854  -9.342  -5.730
  263    HB2  TRP  31           HB2      TRP  31  -9.656  -6.383  -5.505
  264    HB3  TRP  31           HB3      TRP  31  -9.465  -7.081  -7.111
  265    HD1  TRP  31           HD1      TRP  31 -11.892  -8.691  -4.647
  266    HE1  TRP  31           HE1      TRP  31 -14.294  -8.345  -5.505
  267    HE3  TRP  31           HE3      TRP  31 -10.921  -5.490  -8.513
  268    HZ2  TRP  31           HZ2      TRP  31 -15.604  -6.906  -7.549
  269    HZ3  TRP  31           HZ3      TRP  31 -12.804  -4.675  -9.872
  270    HH2  TRP  31           HH2      TRP  31 -15.096  -5.370  -9.398
  271    H    THR  32           H        THR  32  -8.623  -9.858  -7.545
  272    HA   THR  32           HA       THR  32  -5.810 -10.038  -7.094
  273    HB   THR  32           HB       THR  32  -5.681 -11.270  -9.126
  274    HG1  THR  32           HG1      THR  32  -7.097 -11.044 -10.753
  275   HG21  THR  32          HG21      THR  32  -6.779 -12.495  -7.356
  276   HG22  THR  32          HG22      THR  32  -7.538 -12.903  -8.895
  277   HG23  THR  32          HG23      THR  32  -8.336 -11.788  -7.785
  278    H    ILE  33           H        ILE  33  -4.236  -9.424  -8.867
  279    HA   ILE  33           HA       ILE  33  -4.351  -6.605  -9.252
  280    HB   ILE  33           HB       ILE  33  -2.431  -8.575 -10.499
  281   HG12  ILE  33          HG12      ILE  33  -1.071  -7.362  -8.469
  282   HG13  ILE  33          HG13      ILE  33  -2.682  -7.484  -7.771
  283   HG21  ILE  33          HG21      ILE  33  -2.376  -6.442 -11.615
  284   HG22  ILE  33          HG22      ILE  33  -2.269  -5.596 -10.072
  285   HG23  ILE  33          HG23      ILE  33  -0.932  -6.607 -10.618
  286   HD11  ILE  33          HD11      ILE  33  -1.888  -9.951  -9.042
  287   HD12  ILE  33          HD12      ILE  33  -0.735  -9.444  -7.807
  288   HD13  ILE  33          HD13      ILE  33  -2.437  -9.652  -7.393
  289    H    ASP  34           H        ASP  34  -5.269  -9.337 -11.155
  290    HA   ASP  34           HA       ASP  34  -5.356  -7.828 -13.635
  291    HB2  ASP  34           HB2      ASP  34  -5.798 -10.677 -12.860
  292    HB3  ASP  34           HB3      ASP  34  -6.542 -10.090 -14.345
  293    H    GLN  35           H        GLN  35  -7.214  -7.825 -10.989
  294    HA   GLN  35           HA       GLN  35  -9.800  -7.894 -12.330
  295    HB2  GLN  35           HB2      GLN  35  -8.940  -7.673  -9.459
  296    HB3  GLN  35           HB3      GLN  35 -10.594  -7.318  -9.938
  297    HG2  GLN  35           HG2      GLN  35  -9.431  -9.881 -10.856
  298    HG3  GLN  35           HG3      GLN  35  -9.818  -9.725  -9.143
  299   HE21  GLN  35          HE21      GLN  35 -12.006  -9.158  -8.577
  300   HE22  GLN  35          HE22      GLN  35 -13.306  -9.633  -9.611
  301    H    ILE  36           H        ILE  36  -7.737  -5.604 -10.581
  302    HA   ILE  36           HA       ILE  36  -9.516  -3.395 -10.950
  303    HB   ILE  36           HB       ILE  36  -6.590  -3.409 -10.201
  304   HG12  ILE  36          HG12      ILE  36  -7.840  -2.769  -7.930
  305   HG13  ILE  36          HG13      ILE  36  -9.125  -3.718  -8.668
  306   HG21  ILE  36          HG21      ILE  36  -6.733  -1.216 -10.614
  307   HG22  ILE  36          HG22      ILE  36  -8.492  -1.257 -10.712
  308   HG23  ILE  36          HG23      ILE  36  -7.700  -1.141  -9.141
  309   HD11  ILE  36          HD11      ILE  36  -7.985  -5.665  -8.471
  310   HD12  ILE  36          HD12      ILE  36  -6.408  -4.890  -8.636
  311   HD13  ILE  36          HD13      ILE  36  -7.283  -4.794  -7.108
  312    H    GLU  37           H        GLU  37  -6.340  -4.215 -12.354
  313    HA   GLU  37           HA       GLU  37  -6.115  -2.130 -14.146
  314    HB2  GLU  37           HB2      GLU  37  -5.089  -4.929 -14.088
  315    HB3  GLU  37           HB3      GLU  37  -4.909  -4.013 -15.577
  316    HG2  GLU  37           HG2      GLU  37  -4.053  -2.763 -13.019
  317    HG3  GLU  37           HG3      GLU  37  -3.039  -4.011 -13.741
  318    H    LYS  38           H        LYS  38  -8.096  -4.991 -14.337
  319    HA   LYS  38           HA       LYS  38  -8.821  -4.458 -17.109
  320    HB2  LYS  38           HB2      LYS  38  -9.549  -6.660 -15.179
  321    HB3  LYS  38           HB3      LYS  38 -10.280  -6.511 -16.771
  322    HG2  LYS  38           HG2      LYS  38  -7.318  -6.527 -16.601
  323    HG3  LYS  38           HG3      LYS  38  -8.178  -8.045 -16.333
  324    HD2  LYS  38           HD2      LYS  38  -8.656  -6.284 -18.728
  325    HD3  LYS  38           HD3      LYS  38  -7.464  -7.585 -18.713
  326    HE2  LYS  38           HE2      LYS  38  -9.469  -9.033 -17.892
  327    HE3  LYS  38           HE3      LYS  38 -10.447  -7.738 -18.581
  328    HZ1  LYS  38           HZ1      LYS  38  -8.310  -9.040 -20.150
  329    HZ2  LYS  38           HZ2      LYS  38  -9.643  -8.159 -20.706
  330    HZ3  LYS  38           HZ3      LYS  38  -9.862  -9.708 -20.064
  331    H    TRP  39           H        TRP  39 -10.031  -3.989 -13.898
  332    HA   TRP  39           HA       TRP  39 -12.769  -3.658 -14.510
  333    HB2  TRP  39           HB2      TRP  39 -12.115  -4.012 -12.226
  334    HB3  TRP  39           HB3      TRP  39 -11.077  -2.590 -12.247
  335    HD1  TRP  39           HD1      TRP  39 -14.666  -3.657 -11.722
  336    HE1  TRP  39           HE1      TRP  39 -16.059  -1.621 -10.988
  337    HE3  TRP  39           HE3      TRP  39 -11.224   0.027 -12.564
  338    HZ2  TRP  39           HZ2      TRP  39 -15.741   1.177 -10.793
  339    HZ3  TRP  39           HZ3      TRP  39 -11.848   2.357 -12.079
  340    HH2  TRP  39           HH2      TRP  39 -14.060   2.919 -11.212
  341    H    LEU  40           H        LEU  40 -10.044  -1.417 -14.437
  342    HA   LEU  40           HA       LEU  40 -11.706   0.866 -15.038
  343    HB2  LEU  40           HB2      LEU  40  -9.834   1.340 -13.700
  344    HB3  LEU  40           HB3      LEU  40  -8.749   0.439 -14.757
  345    HG   LEU  40           HG       LEU  40  -8.903   2.178 -16.443
  346   HD11  LEU  40          HD11      LEU  40 -11.242   2.839 -15.933
  347   HD12  LEU  40          HD12      LEU  40 -10.140   4.205 -16.109
  348   HD13  LEU  40          HD13      LEU  40 -10.649   3.684 -14.502
  349   HD21  LEU  40          HD21      LEU  40  -7.239   3.235 -15.424
  350   HD22  LEU  40          HD22      LEU  40  -7.686   2.414 -13.928
  351   HD23  LEU  40          HD23      LEU  40  -8.356   4.004 -14.297
  352    H    LYS  41           H        LYS  41  -9.458  -1.241 -16.759
  353    HA   LYS  41           HA       LYS  41  -9.301   0.163 -19.167
  354    HB2  LYS  41           HB2      LYS  41  -7.993  -1.916 -18.384
  355    HB3  LYS  41           HB3      LYS  41  -9.344  -2.843 -19.025
  356    HG2  LYS  41           HG2      LYS  41  -8.032  -0.815 -20.766
  357    HG3  LYS  41           HG3      LYS  41  -7.230  -2.362 -20.485
  358    HD2  LYS  41           HD2      LYS  41 -10.070  -2.617 -21.120
  359    HD3  LYS  41           HD3      LYS  41  -9.125  -1.868 -22.409
  360    HE2  LYS  41           HE2      LYS  41  -9.217  -4.287 -22.688
  361    HE3  LYS  41           HE3      LYS  41  -7.569  -3.754 -22.363
  362    HZ1  LYS  41           HZ1      LYS  41  -9.387  -4.806 -20.270
  363    HZ2  LYS  41           HZ2      LYS  41  -7.727  -4.510 -20.135
  364    HZ3  LYS  41           HZ3      LYS  41  -8.284  -5.770 -21.116
  365    H    ARG  42           H        ARG  42 -11.841  -1.796 -17.843
  366    HA   ARG  42           HA       ARG  42 -13.229  -2.212 -20.314
  367    HB2  ARG  42           HB2      ARG  42 -13.955  -2.581 -17.418
  368    HB3  ARG  42           HB3      ARG  42 -15.146  -2.795 -18.694
  369    HG2  ARG  42           HG2      ARG  42 -13.945  -4.607 -19.635
  370    HG3  ARG  42           HG3      ARG  42 -12.535  -4.279 -18.627
  371    HD2  ARG  42           HD2      ARG  42 -13.533  -6.072 -17.547
  372    HD3  ARG  42           HD3      ARG  42 -14.146  -4.684 -16.649
  373    HE   ARG  42           HE       ARG  42 -16.247  -5.244 -17.332
  374   HH11  ARG  42          HH11      ARG  42 -13.947  -6.734 -19.479
  375   HH12  ARG  42          HH12      ARG  42 -15.147  -7.621 -20.359
  376   HH21  ARG  42          HH21      ARG  42 -17.836  -6.407 -18.484
  377   HH22  ARG  42          HH22      ARG  42 -17.359  -7.434 -19.793
  378    H    HIS  43           H        HIS  43 -13.390   0.132 -17.693
  379    HA   HIS  43           HA       HIS  43 -15.790   1.391 -18.373
  380    HB2  HIS  43           HB2      HIS  43 -13.346   2.191 -16.863
  381    HB3  HIS  43           HB3      HIS  43 -14.482   3.455 -17.326
  382    HD1  HIS  43           HD1      HIS  43 -17.142   2.532 -16.690
  383    HD2  HIS  43           HD2      HIS  43 -13.905   1.350 -14.370
  384    HE1  HIS  43           HE1      HIS  43 -18.118   1.834 -14.481