*HEADER    ANTIMICROBIAL PROTEIN                   02-APR-19   6R95              
*TITLE     THE SOLUTION NMR STRUCTURE OF CIS-DICARBA-BREVININ-1BYA IN 33%        
*TITLE    2 TRIFLUOROETHANOL                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BREVININ-1BYA;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: AGL = ALLYLGLYCINE AN INTRAMOLECULAR VINYLIC BOND     
*COMPND   6 EXISTS BETWEEN THE RESIDUES AGL-18 AND AGL-24.                       
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: RANA BOYLII;                                    
*SOURCE   4 ORGANISM_COMMON: FOOTHILL YELLOW-LEGGED FROG;                        
*SOURCE   5 ORGANISM_TAXID: 160499                                               
*KEYWDS    CATIONIC, RANA-BOX, ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.B.TIMMONS,D.P.O'FLYNN,J.M.CONLON,C.M.HEWAGE                         
*REVDAT   2   15-NOV-23 6R95    1
*REVDAT   1   25-SEP-19 6R95    0                                                
# Restraints file 1: brevinin_1BYa_DCB_TFE-in.upl
 13 GLY  H      13 GLY  HA2     3.82            #peak 1
 13 GLY  H      13 GLY  HA3     3.51            #peak 2
 20 VAL  H      20 VAL  HA      4.32            #peak 3
 20 VAL  H      20 VAL  HB      3.95            #peak 4
 20 VAL  HA     20 VAL  HB      2.41            #peak 5
 20 VAL  HA     20 VAL  QG2     3.67            #peak 6
 20 VAL  HB     20 VAL  QG2     3.97            #peak 8
  5 LEU  H       5 LEU  HA      3.90            #peak 9
  5 LEU  H       5 LEU  HB2     3.39            #peak 10
  9 ALA  H       9 ALA  HA      3.96            #peak 11
  9 ALA  H       9 ALA  QB      3.60            #peak 12
  9 ALA  HA      9 ALA  QB      3.33            #peak 13
 12 PHE  H      12 PHE  HB3     3.76            #peak 14
 12 PHE  H      12 PHE  HB2     4.20            #peak 15
 12 PHE  H      12 PHE  QD      4.55            #peak 16
  4 ILE  H       4 ILE  HA      3.92            #peak 17
  4 ILE  H       4 ILE  HB      3.48            #peak 18
  4 ILE  H       4 ILE  QG2     3.81            #peak 19
 17 PHE  H      17 PHE  HA      2.40            #peak 20
 15 LYS  HA     18 AGL  H       4.56            #peak 21
  6 ALA  H       6 ALA  HA      2.40            #peak 22
  9 ALA  HA     10 ALA  H       4.36            #peak 23
  7 SER  H       7 SER  HB3     3.83            #peak 24
  7 SER  HB3     8 LEU  H       4.49            #peak 25
 22 LYS  HA     23 LYS  H       4.27            #peak 26
  7 SER  HB2     8 LEU  H       4.37            #peak 27
  5 LEU  HA      8 LEU  H       2.40            #peak 28
  8 LEU  H       8 LEU  HA      2.40            #peak 29
 23 LYS  H      23 LYS  HA      2.40            #peak 30
 22 LYS  H      22 LYS  HA      3.32            #peak 31
  7 SER  H       7 SER  HB2     3.38            #peak 32
 21 THR  HA     22 LYS  H       4.58            #peak 33
 19 LEU  HA     22 LYS  H       5.01            #peak 34
 21 THR  H      21 THR  HB      3.85            #peak 35
 11 LYS  H      11 LYS  HA      3.43            #peak 36
  8 LEU  HA     11 LYS  H       2.40            #peak 37
 19 LEU  H      19 LEU  HA      3.93            #peak 38
  7 SER  H       7 SER  HA      3.91            #peak 39
 14 PRO  HA     15 LYS  H       4.77            #peak 40
 14 PRO  HA     17 PHE  H       5.08            #peak 41
  1 PHE  HA      2 LEU  H       4.48            #peak 42
 17 PHE  HA     18 AGL  H       4.80            #peak 43
  3 PRO  HA      4 ILE  H       4.11            #peak 44
  9 ALA  HA     12 PHE  H       4.80            #peak 45
 11 LYS  HA     12 PHE  H       4.27            #peak 46
  8 LEU  HA     12 PHE  H       4.88            #peak 47
 17 PHE  HA     20 VAL  H       3.81            #peak 48
  8 LEU  HA      9 ALA  H       4.90            #peak 49
  6 ALA  HA      9 ALA  H       3.25            #peak 50
 24 AGL  H      24 AGL  HA      3.23            #peak 51
 14 PRO  HD2    15 LYS  H       4.60            #peak 52
 18 AGL  H      18 AGL  HA      4.18            #peak 53
 18 AGL  H      18 AGL  HB2     3.72            #peak 54
 18 AGL  H      18 AGL  HB3     3.73            #peak 55
 18 AGL  HB2    19 LEU  H       4.22            #peak 56
 18 AGL  HB3    19 LEU  H       4.78            #peak 57
  8 LEU  H       8 LEU  HB3     3.48            #peak 58
  8 LEU  H       8 LEU  HB2     3.69            #peak 59
 19 LEU  H      19 LEU  HB2     3.83            #peak 60
 20 VAL  HB     21 THR  H       4.12            #peak 61
 19 LEU  H      19 LEU  HG      4.08            #peak 62
 11 LYS  H      11 LYS  HB2     2.40            #peak 63
 10 ALA  QB     11 LYS  H       3.43            #peak 64
  9 ALA  QB     11 LYS  H       5.08            #peak 65
  4 ILE  H       4 ILE  HG12    4.00            #peak 66
  4 ILE  H       4 ILE  HG13    4.58            #peak 67
 22 LYS  H      22 LYS  QG      4.25            #peak 68
  9 ALA  QB     10 ALA  H       4.06            #peak 69
 16 LEU  H      16 LEU  HG      2.40            #peak 70
 10 ALA  H      10 ALA  QB      3.25            #peak 71
 15 LYS  H      15 LYS  HG2     3.95            #peak 72
 23 LYS  H      23 LYS  QG      4.15            #peak 73
  8 LEU  H       8 LEU  HG      4.21            #peak 74
 23 LYS  H      23 LYS  QD      3.71            #peak 75
 16 LEU  H      16 LEU  HB3     2.40            #peak 76
 16 LEU  H      16 LEU  HB2     2.40            #peak 77
 16 LEU  HB3    17 PHE  H       2.40            #peak 78
 22 LYS  H      22 LYS  HB2     5.03            #peak 79
 14 PRO  HB3    15 LYS  H       5.19            #peak 80
  8 LEU  HB2     9 ALA  H       4.22            #peak 81
 19 LEU  HB2    20 VAL  H       4.32            #peak 82
 11 LYS  HB2    12 PHE  H       4.27            #peak 83
 19 LEU  HB3    20 VAL  H       4.81            #peak 84
  8 LEU  HG      9 ALA  H       3.06            #peak 85
 13 GLY  H      14 PRO  HD2     4.73            #peak 86
 13 GLY  H      14 PRO  HD3     4.75            #peak 87
 18 AGL  HA     23 LYS  H       4.86            #peak 88
 12 PHE  HB2    13 GLY  H       4.91            #peak 89
  3 PRO  HD3     4 ILE  H       4.95            #peak 90
 20 VAL  HA     21 THR  H       4.84            #peak 91
 14 PRO  HD3    15 LYS  H       5.31            #peak 92
 23 LYS  HA     24 AGL  H       2.46            #peak 93
  8 LEU  HA     12 PHE  QD      3.42            #peak 94
 19 LEU  H      20 VAL  H       3.87            #peak 95
 11 LYS  H      12 PHE  H       3.71            #peak 96
  9 ALA  H      11 LYS  H       5.50            #peak 97
 11 LYS  H      13 GLY  H       5.15            #peak 98
  9 ALA  H      10 ALA  H       4.11            #peak 99
  7 SER  H       9 ALA  H       3.17            #peak 100
  8 LEU  H       9 ALA  H       4.02            #peak 101
 22 LYS  H      23 LYS  H       4.17            #peak 102
 18 AGL  H      19 LEU  H       4.19            #peak 103
  5 LEU  H       6 ALA  H       4.12            #peak 104
  4 ILE  H       7 SER  H       5.05            #peak 105
 10 ALA  H      11 LYS  H       3.90            #peak 106
 23 LYS  H      24 AGL  H       3.81            #peak 107
 17 PHE  H      17 PHE  QD      5.01            #peak 108
  7 SER  H       8 LEU  H       3.85            #peak 109
 17 PHE  H      18 AGL  H       3.87            #peak 110
 15 LYS  H      16 LEU  H       3.21            #peak 111
 21 THR  H      23 LYS  H       4.87            #peak 112
 18 AGL  H      18 AGL  HG      5.04            #peak 113
 18 AGL  HG     19 LEU  H       5.16            #peak 114
 24 AGL  H      24 AGL  HG      4.58            #peak 115
 12 PHE  QD     12 PHE  HB3     3.92            #peak 116
 17 PHE  QD     17 PHE  QB      3.64            #peak 117
 10 ALA  H      10 ALA  HA      2.40            #peak 118
 10 ALA  HA     13 GLY  H       4.69            #peak 119
 16 LEU  H      16 LEU  HB3     2.40            #peak 120
 14 PRO  HD2    14 PRO  HD3     2.86            #peak 121
  6 ALA  HA      9 ALA  QB      2.40            #peak 122
  4 ILE  HA      4 ILE  HG13    4.95            #peak 123
  3 PRO  HD2     3 PRO  HB3     2.51            #peak 124
 14 PRO  HD3    14 PRO  HB3     2.40            #peak 125
  3 PRO  HA      3 PRO  HB2     4.96            #peak 126
  3 PRO  HA      6 ALA  QB      4.45            #peak 128
 14 PRO  HA     17 PHE  QD      5.12            #peak 129
 17 PHE  HA     17 PHE  QD      4.17            #peak 130
 14 PRO  HA     17 PHE  QB      4.06            #peak 131
 14 PRO  HA     18 AGL  H       5.31            #peak 132
  4 ILE  HA      4 ILE  HB      2.40            #peak 133
  4 ILE  HA      4 ILE  HG12    4.70            #peak 134
  4 ILE  HA      4 ILE  QG2     3.35            #peak 135
 18 AGL  HA     18 AGL  HB3     3.66            #peak 136
 18 AGL  HA     18 AGL  HB2     3.77            #peak 137
 14 PRO  HD2    14 PRO  QG      2.40            #peak 138
  3 PRO  HD2     3 PRO  HB2     2.80            #peak 139
  3 PRO  HB2     4 ILE  H       5.28            #peak 140
  3 PRO  HB3     4 ILE  H       2.82            #peak 141
  3 PRO  HB2     3 PRO  HB3     2.79            #peak 142
 14 PRO  HB2    14 PRO  QG      3.00            #peak 143
 14 PRO  HB2    15 LYS  H       5.50            #peak 144
 15 LYS  H      16 LEU  H       3.22            #peak 145
 20 VAL  H      22 LYS  H       5.50            #peak 146
 21 THR  H      22 LYS  H       3.62            #peak 147
 20 VAL  HA     21 THR  H       4.88            #peak 148
 22 LYS  HA     23 LYS  H       4.31            #peak 149
  5 LEU  HA      8 LEU  HB2     3.90            #peak 150
 19 LEU  HA     20 VAL  H       2.76            #peak 151
  7 SER  HA     10 ALA  H       2.40            #peak 152
 10 ALA  H      13 GLY  H       5.50            #peak 153
 10 ALA  H      12 PHE  H       4.08            #peak 154
  7 SER  H       8 LEU  H       3.80            #peak 155
  5 LEU  H       6 ALA  H       4.15            #peak 156
 18 AGL  HA     19 LEU  H       4.82            #peak 157
 12 PHE  HB3    13 GLY  H       4.55            #peak 158
 12 PHE  QD     12 PHE  HB2     2.40            #peak 159
 24 AGL  H      24 AGL  QB      2.97            #peak 160
 20 VAL  QG2    21 THR  H       4.50            #peak 161
 17 PHE  QB     18 AGL  H       4.06            #peak 162
 17 PHE  H      17 PHE  QB      3.49            #peak 163
 17 PHE  HA     17 PHE  QB      3.42            #peak 164
 17 PHE  HA     17 PHE  QD      4.78            #peak 165
 15 LYS  HA     18 AGL  HB2     4.44            #peak 166
 15 LYS  HA     18 AGL  HB3     4.84            #peak 167
 20 VAL  HA     22 LYS  H       5.11            #peak 168
 21 THR  HB     24 AGL  H       4.88            #peak 169
 16 LEU  HA     20 VAL  H       3.58            #peak 170
 11 LYS  HB3    12 PHE  H       3.99            #peak 171
  8 LEU  QQD    12 PHE  QD      3.13            #peak 172
 18 AGL  HA     18 AGL  HG      4.23            #peak 173
 18 AGL  HB2    18 AGL  HG      3.66            #peak 174
 18 AGL  HB3    18 AGL  HG      3.71            #peak 175
 24 AGL  QB     24 AGL  HG      3.33            #peak 176
 24 AGL  HA     24 AGL  HG      4.85            #peak 177
 22 LYS  HB2    22 LYS  QG      3.66            #peak 178
 23 LYS  H      24 AGL  HG      5.00            #peak 179
 11 LYS  H      11 LYS  HG2     5.00            #peak 180
  7 SER  HA     10 ALA  QB      4.15            #peak 181
 10 ALA  HA     10 ALA  QB      2.79            #peak 182
 14 PRO  QG     15 LYS  H       3.29            #peak 183
 15 LYS  HB3    16 LEU  H       3.81            #peak 184
  7 SER  HA      7 SER  HB3     3.30            #peak 185
  7 SER  HA      7 SER  HB2     4.08            #peak 186
  6 ALA  HA      7 SER  H       2.40            #peak 187
  6 ALA  HA      9 ALA  H       4.68            #peak 188
 14 PRO  HD2    15 LYS  H       4.48            #peak 189
  8 LEU  H       9 ALA  H       4.00            #peak 190
  8 LEU  HA     11 LYS  H       4.90            #peak 191
  8 LEU  HA      8 LEU  QQD     2.62            #peak 192
  5 LEU  HB2     9 ALA  H       4.80            #peak 193
  8 LEU  HB3     9 ALA  H       5.14            #peak 194
  5 LEU  HA      9 ALA  H       3.37            #peak 195
 10 ALA  QB     13 GLY  H       4.31            #peak 196
  9 ALA  QB     13 GLY  H       4.96            #peak 197
 23 LYS  QB     24 AGL  HG      4.89            #peak 198
 18 AGL  HG     19 LEU  HG      3.61            #peak 199
 23 LYS  QD     24 AGL  HG      4.01            #peak 200
 24 AGL  H      24 AGL  HG      4.31            #peak 201
 18 AGL  HG     19 LEU  H       5.42            #peak 202
 18 AGL  H      18 AGL  HG      5.32            #peak 203
 23 LYS  H      24 AGL  HG      5.19            #peak 204
 15 LYS  HA     18 AGL  HG      5.50            #peak 205
 14 PRO  HA     14 PRO  HB2     4.63            #peak 206
 14 PRO  HD2    14 PRO  HB2     4.93            #peak 207
 14 PRO  HD3    14 PRO  HB2     3.67            #peak 208
  7 SER  HA      8 LEU  H       2.40            #peak 209
 15 LYS  H      15 LYS  HB2     3.25            #peak 210
 23 LYS  H      23 LYS  QB      2.54            #peak 211
  4 ILE  HA      7 SER  H       2.40            #peak 212
 23 LYS  HA     23 LYS  HB2     4.93            #peak 213
  8 LEU  HA      8 LEU  HB2     5.05            #peak 214
  5 LEU  HA      6 ALA  H       2.40            #peak 215
  2 LEU  HA      3 PRO  HD2     2.40            #peak 216
  2 LEU  HA      3 PRO  HD3     4.67            #peak 217
 15 LYS  HB2    16 LEU  H       4.04            #peak 218
  5 LEU  HG      5 LEU  QD2     3.46            #peak 219
  5 LEU  HA      8 LEU  QD2     2.65            #peak 220
  9 ALA  QB     12 PHE  H       3.09            #peak 221
  8 LEU  QQD     9 ALA  H       5.11            #peak 222
 17 PHE  QB     19 LEU  H       5.50            #peak 223
  3 PRO  HD2     4 ILE  H       5.40            #peak 224
 14 PRO  HD3    15 LYS  H       5.03            #peak 225
  5 LEU  H       5 LEU  HA      4.48            #peak 226
  7 SER  H       9 ALA  H       5.24            #peak 227
  6 ALA  HA      7 SER  H       2.40            #peak 228
 18 AGL  HA     18 AGL  HB2     3.80            #peak 229
 18 AGL  HA     18 AGL  HB3     3.79            #peak 230
 14 PRO  HB2    14 PRO  HD3     2.82            #peak 231
  3 PRO  HD2     3 PRO  HD3     2.87            #peak 232
 22 LYS  HA     22 LYS  HB2     4.17            #peak 233
 22 LYS  HA     22 LYS  HB3     2.40            #peak 234
 15 LYS  HA     15 LYS  HB3     2.40            #peak 235
 16 LEU  HA     19 LEU  HB2     2.40            #peak 236
 21 THR  HA     23 LYS  QB      4.20            #peak 237
 24 AGL  HA     24 AGL  QB      4.89            #peak 238
 23 LYS  HA     23 LYS  QD      4.41            #peak 239
  5 LEU  HA      5 LEU  HB2     2.40            #peak 240
  4 ILE  HB      6 ALA  H       4.09            #peak 241
 11 LYS  HA     12 PHE  H       5.10            #peak 242
 17 PHE  HA     20 VAL  QG2     2.40            #peak 243
 17 PHE  QB     20 VAL  QG2     5.12            #peak 244
  4 ILE  QG2     7 SER  H       3.26            #peak 245
 18 AGL  HG     24 AGL  HG      2.40            #peak 246
  3 PRO  HD2     4 ILE  H       5.50            #peak 247
 16 LEU  HA     19 LEU  H       2.40            #peak 248
 18 AGL  HA     21 THR  H       4.82            #peak 249
  9 ALA  H      10 ALA  QB      3.12            #peak 250
 17 PHE  QD     18 AGL  H       5.17            #peak 252
  2 LEU  QB      3 PRO  HD2     3.91            #peak 253
  2 LEU  HG      3 PRO  HD3     4.32            #peak 254
  5 LEU  HA      8 LEU  HB2     4.42            #peak 255
 16 LEU  HA     16 LEU  HB3     2.40            #peak 256
  4 ILE  HA      6 ALA  H       4.73            #peak 257
 12 PHE  QD     13 GLY  H       3.46            #peak 258
 12 PHE  HB2    12 PHE  HB3     2.92            #peak 260
 17 PHE  QB     18 AGL  HB3     4.59            #peak 261
 18 AGL  HB2    18 AGL  HB3     2.91            #peak 262
 14 PRO  HB2    14 PRO  HB3     3.74            #peak 263
 15 LYS  HG2    15 LYS  QE      3.35            #peak 264
  3 PRO  HB2     6 ALA  QB      4.58            #peak 265
  3 PRO  HB2     4 ILE  HG12    5.50            #peak 266
  8 LEU  HB3     8 LEU  QQD     3.05            #peak 267
  4 ILE  QG2     4 ILE  HG13    3.07            #peak 268
 23 LYS  QG     23 LYS  HE3     3.23            #peak 269
  2 LEU  QQD     3 PRO  HD3     4.92            #peak 270
  7 SER  QB     11 LYS  HB2     4.37            #peak 271
 12 PHE  H      13 GLY  H       3.60            #peak 272
  5 LEU  HB2     8 LEU  HB3     2.77            #peak 273
  3 PRO  HA      6 ALA  H       4.53            #peak 274
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HN       PHE   1   0.326   0.868  -0.062
    2    HA   PHE   1           HA       PHE   1   2.990   0.817  -0.732
    3    HB2  PHE   1           HB1      PHE   1   1.275  -1.271  -2.232
    4    HB3  PHE   1           HB2      PHE   1   2.897  -0.719  -2.806
    5    HD1  PHE   1           HD1      PHE   1   4.922  -1.118  -1.393
    6    HD2  PHE   1           HD2      PHE   1   1.116  -2.876  -0.467
    7    HE1  PHE   1           HE1      PHE   1   6.046  -2.790   0.049
    8    HE2  PHE   1           HE2      PHE   1   2.236  -4.553   0.969
    9    HZ   PHE   1           HZ       PHE   1   4.704  -4.511   1.233
   10    H    LEU   2           HN       LEU   2   3.018   1.356  -3.349
   11    HA   LEU   2           HA       LEU   2   2.709   3.094  -4.703
   12    HB2  LEU   2           HB1      LEU   2  -0.133   2.035  -4.525
   13    HB3  LEU   2           HB2      LEU   2   0.397   3.253  -5.717
   14    HG   LEU   2           HG       LEU   2   2.148   1.627  -6.571
   15   HD11  LEU   2          HD11      LEU   2   1.565  -0.838  -6.290
   16   HD12  LEU   2          HD12      LEU   2   0.499  -0.390  -4.912
   17   HD13  LEU   2          HD13      LEU   2   2.286  -0.105  -4.819
   18   HD21  LEU   2          HD21      LEU   2   0.467   0.412  -7.968
   19   HD22  LEU   2          HD22      LEU   2   0.048   2.151  -7.772
   20   HD23  LEU   2          HD23      LEU   2  -0.833   0.897  -6.821
   21    HA   PRO   3           HA       PRO   3   0.915   5.602  -1.225
   22    HB2  PRO   3           HB1      PRO   3   3.033   7.304  -0.478
   23    HB3  PRO   3           HB2      PRO   3   2.896   5.584   0.042
   24    HG2  PRO   3           HG1      PRO   3   4.467   6.661  -2.370
   25    HG3  PRO   3           HG2      PRO   3   5.070   5.585  -1.040
   26    HD2  PRO   3           HD1      PRO   3   4.206   4.496  -3.411
   27    HD3  PRO   3           HD2      PRO   3   3.727   3.729  -1.824
   28    H    ILE   4           HN       ILE   4   2.565   7.019  -3.963
   29    HA   ILE   4           HA       ILE   4   1.695   9.599  -4.045
   30    HB   ILE   4           HB       ILE   4   1.854   7.702  -6.419
   31   HG12  ILE   4          HG11      ILE   4   3.980   9.486  -5.073
   32   HG13  ILE   4          HG12      ILE   4   3.947   7.694  -5.025
   33   HG21  ILE   4          HG21      ILE   4   0.653   9.879  -6.926
   34   HG22  ILE   4          HG22      ILE   4   2.022  10.794  -6.190
   35   HG23  ILE   4          HG23      ILE   4   2.259   9.843  -7.699
   36   HD11  ILE   4           HD1      ILE   4   4.386   9.439  -7.530
   37   HD12  ILE   4           HD2      ILE   4   5.579   8.382  -6.707
   38   HD13  ILE   4           HD3      ILE   4   4.169   7.652  -7.564
   39    H    LEU   5           HN       LEU   5  -0.198   6.889  -5.526
   40    HA   LEU   5           HA       LEU   5  -2.289   8.654  -6.189
   41    HB2  LEU   5           HB1      LEU   5  -3.487   6.681  -7.036
   42    HB3  LEU   5           HB2      LEU   5  -1.819   6.850  -7.632
   43    HG   LEU   5           HG       LEU   5  -1.089   5.085  -5.924
   44   HD11  LEU   5          HD11      LEU   5  -2.878   3.436  -5.235
   45   HD12  LEU   5          HD12      LEU   5  -4.138   4.631  -5.712
   46   HD13  LEU   5          HD13      LEU   5  -3.004   4.987  -4.348
   47   HD21  LEU   5          HD21      LEU   5  -1.349   4.646  -8.354
   48   HD22  LEU   5          HD22      LEU   5  -3.113   4.345  -8.128
   49   HD23  LEU   5          HD23      LEU   5  -1.913   3.226  -7.392
   50    H    ALA   6           HN       ALA   6  -1.703   7.057  -3.162
   51    HA   ALA   6           HA       ALA   6  -4.363   7.000  -2.221
   52    HB1  ALA   6           HB1      ALA   6  -3.310   7.005   0.041
   53    HB2  ALA   6           HB2      ALA   6  -2.432   5.889  -1.065
   54    HB3  ALA   6           HB3      ALA   6  -1.738   7.506  -0.688
   55    H    SER   7           HN       SER   7  -1.951   9.622  -2.361
   56    HA   SER   7           HA       SER   7  -3.520  11.590  -1.031
   57    HB2  SER   7           HB1      SER   7  -1.266  11.923  -3.100
   58    HB3  SER   7           HB2      SER   7  -2.032  13.279  -2.201
   59    HG   SER   7           HG1      SER   7  -0.480  11.153  -1.166
   60    H    LEU   8           HN       LEU   8  -3.253  10.653  -4.460
   61    HA   LEU   8           HA       LEU   8  -4.979  12.644  -5.486
   62    HB2  LEU   8           HB1      LEU   8  -3.262  11.210  -6.750
   63    HB3  LEU   8           HB2      LEU   8  -4.383   9.830  -6.574
   64    HG   LEU   8           HG       LEU   8  -6.131  11.236  -7.851
   65   HD11  LEU   8          HD11      LEU   8  -5.252  13.096  -9.270
   66   HD12  LEU   8          HD12      LEU   8  -3.649  12.978  -8.464
   67   HD13  LEU   8          HD13      LEU   8  -5.097  13.512  -7.527
   68   HD21  LEU   8          HD21      LEU   8  -3.494  10.541  -9.294
   69   HD22  LEU   8          HD22      LEU   8  -5.109  10.739 -10.063
   70   HD23  LEU   8          HD23      LEU   8  -4.829   9.388  -8.906
   71    H    ALA   9           HN       ALA   9  -5.596   9.227  -4.511
   72    HA   ALA   9           HA       ALA   9  -8.302   9.116  -5.042
   73    HB1  ALA   9           HB1      ALA   9  -6.652   7.685  -2.868
   74    HB2  ALA   9           HB2      ALA   9  -8.260   7.141  -3.490
   75    HB3  ALA   9           HB3      ALA   9  -6.821   7.147  -4.575
   76    H    ALA  10           HN       ALA  10  -6.642  10.348  -2.127
   77    HA   ALA  10           HA       ALA  10  -8.985  10.783  -0.629
   78    HB1  ALA  10           HB1      ALA  10  -6.674  10.660   0.315
   79    HB2  ALA  10           HB2      ALA  10  -6.251  12.189  -0.529
   80    HB3  ALA  10           HB3      ALA  10  -7.497  12.189   0.793
   81    H    LYS  11           HN       LYS  11  -8.027  12.450  -3.483
   82    HA   LYS  11           HA       LYS  11  -9.756  14.765  -2.753
   83    HB2  LYS  11           HB1      LYS  11  -7.312  14.469  -4.545
   84    HB3  LYS  11           HB2      LYS  11  -8.569  15.648  -5.016
   85    HG2  LYS  11           HG1      LYS  11  -6.782  16.768  -3.789
   86    HG3  LYS  11           HG2      LYS  11  -8.363  16.899  -2.955
   87    HD2  LYS  11           HD1      LYS  11  -7.722  15.101  -1.382
   88    HD3  LYS  11           HD2      LYS  11  -6.143  14.893  -2.215
   89    HE2  LYS  11           HE1      LYS  11  -5.450  17.184  -1.446
   90    HE3  LYS  11           HE2      LYS  11  -7.102  17.457  -0.749
   91    HZ1  LYS  11           HZ1      LYS  11  -6.757  15.546   0.671
   92    HZ2  LYS  11           HZ2      LYS  11  -5.553  16.715   0.941
   93    HZ3  LYS  11           HZ3      LYS  11  -5.203  15.309   0.049
   94    H    PHE  12           HN       PHE  12  -9.019  12.386  -5.385
   95    HA   PHE  12           HA       PHE  12 -11.449  13.258  -6.757
   96    HB2  PHE  12           HB1      PHE  12  -9.098  11.409  -7.488
   97    HB3  PHE  12           HB2      PHE  12 -10.557  11.587  -8.536
   98    HD1  PHE  12           HD1      PHE  12  -7.555  13.329  -7.228
   99    HD2  PHE  12           HD2      PHE  12 -11.082  13.654  -9.655
  100    HE1  PHE  12           HE1      PHE  12  -6.667  15.412  -8.241
  101    HE2  PHE  12           HE2      PHE  12 -10.194  15.728 -10.671
  102    HZ   PHE  12           HZ       PHE  12  -7.987  16.610  -9.966
  103    H    GLY  13           HN       GLY  13 -10.832  11.001  -4.342
  104    HA2  GLY  13           HA1      GLY  13 -13.149   9.362  -5.207
  105    HA3  GLY  13           HA2      GLY  13 -11.782   8.828  -4.182
  106    HA   PRO  14           HA       PRO  14 -14.081  11.338  -0.972
  107    HB2  PRO  14           HB1      PRO  14 -16.251  12.998  -1.551
  108    HB3  PRO  14           HB2      PRO  14 -14.540  13.546  -1.725
  109    HG2  PRO  14           HG1      PRO  14 -16.343  12.418  -3.943
  110    HG3  PRO  14           HG2      PRO  14 -15.387  13.958  -3.955
  111    HD2  PRO  14           HD1      PRO  14 -14.373  11.655  -5.073
  112    HD3  PRO  14           HD2      PRO  14 -13.305  12.781  -4.130
  113    H    LYS  15           HN       LYS  15 -15.872   9.966  -3.563
  114    HA   LYS  15           HA       LYS  15 -18.107   8.837  -2.337
  115    HB2  LYS  15           HB1      LYS  15 -17.619   8.939  -4.788
  116    HB3  LYS  15           HB2      LYS  15 -16.194   7.887  -4.562
  117    HG2  LYS  15           HG1      LYS  15 -17.722   5.978  -3.924
  118    HG3  LYS  15           HG2      LYS  15 -19.138   7.045  -4.205
  119    HD2  LYS  15           HD1      LYS  15 -18.402   7.388  -6.580
  120    HD3  LYS  15           HD2      LYS  15 -16.954   6.372  -6.283
  121    HE2  LYS  15           HE1      LYS  15 -18.437   4.366  -5.874
  122    HE3  LYS  15           HE2      LYS  15 -19.893   5.388  -6.204
  123    HZ1  LYS  15           HZ1      LYS  15 -19.011   5.812  -8.425
  124    HZ2  LYS  15           HZ2      LYS  15 -19.198   4.151  -8.158
  125    HZ3  LYS  15           HZ3      LYS  15 -17.658   4.849  -8.113
  126    H    LEU  16           HN       LEU  16 -14.713   7.575  -2.499
  127    HA   LEU  16           HA       LEU  16 -15.374   5.247  -0.909
  128    HB2  LEU  16           HB1      LEU  16 -12.689   6.492  -1.746
  129    HB3  LEU  16           HB2      LEU  16 -12.868   4.929  -0.889
  130    HG   LEU  16           HG       LEU  16 -13.973   5.537  -3.694
  131   HD11  LEU  16          HD11      LEU  16 -12.122   4.061  -4.492
  132   HD12  LEU  16          HD12      LEU  16 -11.509   3.909  -2.806
  133   HD13  LEU  16          HD13      LEU  16 -11.477   5.510  -3.632
  134   HD21  LEU  16          HD21      LEU  16 -13.811   2.905  -2.084
  135   HD22  LEU  16          HD22      LEU  16 -14.278   3.033  -3.816
  136   HD23  LEU  16          HD23      LEU  16 -15.323   3.772  -2.547
  137    H    PHE  17           HN       PHE  17 -13.834   8.429  -0.412
  138    HA   PHE  17           HA       PHE  17 -12.867   7.950   2.118
  139    HB2  PHE  17           HB1      PHE  17 -12.566   9.939   0.313
  140    HB3  PHE  17           HB2      PHE  17 -13.755  10.781   1.365
  141    HD1  PHE  17           HD1      PHE  17 -13.156  11.012   3.864
  142    HD2  PHE  17           HD2      PHE  17 -10.339   9.616   0.938
  143    HE1  PHE  17           HE1      PHE  17 -11.297  11.508   5.419
  144    HE2  PHE  17           HE2      PHE  17  -8.475  10.110   2.493
  145    HZ   PHE  17           HZ       PHE  17  -8.953  11.061   4.737
  146    H2   ABA  18           HN       AGL  18 -16.077   9.402   1.282
  147    HA   ABA  18           HA       AGL  18 -16.935   9.737   3.942
  148    HB3  ABA  18           HB2      AGL  18 -18.401   9.314   1.288
  149    HB2  ABA  18           HB1      AGL  18 -18.077  10.856   2.100
  150    HG3  ABA  18           HG       AGL  18 -20.268   8.789   2.696
  151    H    LEU  19           HN       LEU  19 -17.229   6.845   1.783
  152    HA   LEU  19           HA       LEU  19 -18.771   5.392   3.659
  153    HB2  LEU  19           HB1      LEU  19 -17.065   4.467   1.293
  154    HB3  LEU  19           HB2      LEU  19 -18.183   3.402   2.208
  155    HG   LEU  19           HG       LEU  19 -19.026   5.918   0.653
  156   HD11  LEU  19          HD11      LEU  19 -19.995   4.323  -0.992
  157   HD12  LEU  19          HD12      LEU  19 -19.317   2.932  -0.060
  158   HD13  LEU  19          HD13      LEU  19 -18.208   4.120  -0.851
  159   HD21  LEU  19          HD21      LEU  19 -21.357   5.018   0.946
  160   HD22  LEU  19          HD22      LEU  19 -20.608   5.456   2.519
  161   HD23  LEU  19          HD23      LEU  19 -20.714   3.725   2.025
  162    H    VAL  20           HN       VAL  20 -15.179   5.343   3.101
  163    HA   VAL  20           HA       VAL  20 -14.857   3.297   5.042
  164    HB   VAL  20           HB       VAL  20 -13.269   3.706   3.235
  165   HG11  VAL  20          HG11      VAL  20 -11.544   5.443   3.410
  166   HG12  VAL  20          HG12      VAL  20 -13.163   6.232   3.393
  167   HG13  VAL  20          HG13      VAL  20 -12.241   6.078   4.937
  168   HG21  VAL  20          HG21      VAL  20 -12.724   2.301   5.241
  169   HG22  VAL  20          HG22      VAL  20 -11.271   3.146   4.598
  170   HG23  VAL  20          HG23      VAL  20 -12.070   3.754   6.089
  171    H    THR  21           HN       THR  21 -14.529   6.902   5.400
  172    HA   THR  21           HA       THR  21 -13.894   6.640   8.158
  173    HB   THR  21           HB       THR  21 -15.000   9.155   6.873
  174    HG1  THR  21           HG1      THR  21 -12.304   8.313   7.066
  175   HG21  THR  21          HG21      THR  21 -14.706   9.144   9.427
  176   HG22  THR  21          HG22      THR  21 -13.513  10.222   8.615
  177   HG23  THR  21          HG23      THR  21 -13.008   8.601   9.207
  178    H    LYS  22           HN       LYS  22 -16.922   6.729   6.409
  179    HA   LYS  22           HA       LYS  22 -19.018   6.599   6.896
  180    HB2  LYS  22           HB1      LYS  22 -18.242   5.680   9.692
  181    HB3  LYS  22           HB2      LYS  22 -19.798   5.369   8.881
  182    HG2  LYS  22           HG1      LYS  22 -18.898   3.801   7.354
  183    HG3  LYS  22           HG2      LYS  22 -17.224   4.329   7.567
  184    HD2  LYS  22           HD1      LYS  22 -18.899   2.743   9.598
  185    HD3  LYS  22           HD2      LYS  22 -17.542   2.160   8.595
  186    HE2  LYS  22           HE1      LYS  22 -17.448   3.991  11.062
  187    HE3  LYS  22           HE2      LYS  22 -16.587   2.435  10.761
  188    HZ1  LYS  22           HZ1      LYS  22 -15.463   3.803   8.862
  189    HZ2  LYS  22           HZ2      LYS  22 -14.981   4.071  10.468
  190    HZ3  LYS  22           HZ3      LYS  22 -16.042   5.134   9.692
  191    H    LYS  23           HN       LYS  23 -17.559   9.209   7.865
  192    HA   LYS  23           HA       LYS  23 -19.765  10.086   9.658
  193    HB2  LYS  23           HB1      LYS  23 -18.388  11.578  10.754
  194    HB3  LYS  23           HB2      LYS  23 -17.444  10.085  10.651
  195    HG2  LYS  23           HG1      LYS  23 -15.842  10.969   9.260
  196    HG3  LYS  23           HG2      LYS  23 -16.910  12.107   8.412
  197    HD2  LYS  23           HD1      LYS  23 -16.180  12.543  11.370
  198    HD3  LYS  23           HD2      LYS  23 -15.076  13.001  10.050
  199    HE2  LYS  23           HE1      LYS  23 -16.358  14.977  10.753
  200    HE3  LYS  23           HE2      LYS  23 -16.733  14.538   9.042
  201    HZ1  LYS  23           HZ1      LYS  23 -18.765  13.546   9.752
  202    HZ2  LYS  23           HZ2      LYS  23 -18.705  15.121  10.355
  203    HZ3  LYS  23           HZ3      LYS  23 -18.423  13.805  11.388
  204    H2   ABA  24           HN       AGL  24 -19.569  10.204   6.505
  205    HA   ABA  24           HA       AGL  24 -19.608  13.079   6.111
  206    HB3  ABA  24           HB2      AGL  24 -18.532  11.750   4.385
  207    HB2  ABA  24           HB1      AGL  24 -19.933  12.652   3.744
  208    HG3  ABA  24           HG       AGL  24 -21.246  10.270   4.255
  Start of MODEL    2
    1    H1   PHE   1           HN       PHE   1  -0.473  -1.020  -3.688
    2    HA   PHE   1           HA       PHE   1  -1.157   1.202  -2.624
    3    HB2  PHE   1           HB1      PHE   1   0.623  -0.810  -1.099
    4    HB3  PHE   1           HB2      PHE   1  -0.434   0.423  -0.310
    5    HD1  PHE   1           HD1      PHE   1  -2.943   0.462  -1.184
    6    HD2  PHE   1           HD2      PHE   1  -0.327  -2.938  -1.428
    7    HE1  PHE   1           HE1      PHE   1  -4.905  -1.032  -1.388
    8    HE2  PHE   1           HE2      PHE   1  -2.293  -4.433  -1.621
    9    HZ   PHE   1           HZ       PHE   1  -4.583  -3.480  -1.610
   10    H    LEU   2           HN       LEU   2   0.971   1.809  -4.400
   11    HA   LEU   2           HA       LEU   2   3.118   3.013  -3.103
   12    HB2  LEU   2           HB1      LEU   2   1.772   3.674  -5.773
   13    HB3  LEU   2           HB2      LEU   2   3.245   4.506  -5.195
   14    HG   LEU   2           HG       LEU   2   4.414   2.253  -5.068
   15   HD11  LEU   2          HD11      LEU   2   3.550   0.453  -6.628
   16   HD12  LEU   2          HD12      LEU   2   1.976   1.313  -6.716
   17   HD13  LEU   2          HD13      LEU   2   2.554   0.621  -5.151
   18   HD21  LEU   2          HD21      LEU   2   4.784   3.931  -6.888
   19   HD22  LEU   2          HD22      LEU   2   3.412   3.220  -7.820
   20   HD23  LEU   2          HD23      LEU   2   4.890   2.243  -7.517
   21    HA   PRO   3           HA       PRO   3   0.918   6.037  -0.997
   22    HB2  PRO   3           HB1      PRO   3   2.866   7.925  -0.191
   23    HB3  PRO   3           HB2      PRO   3   2.754   6.240   0.436
   24    HG2  PRO   3           HG1      PRO   3   4.519   7.236  -1.869
   25    HG3  PRO   3           HG2      PRO   3   5.013   6.255  -0.425
   26    HD2  PRO   3           HD1      PRO   3   4.454   5.004  -2.799
   27    HD3  PRO   3           HD2      PRO   3   3.803   4.305  -1.245
   28    H    ILE   4           HN       ILE   4   2.674   7.330  -3.692
   29    HA   ILE   4           HA       ILE   4   1.628   9.801  -4.160
   30    HB   ILE   4           HB       ILE   4   2.040   7.651  -6.272
   31   HG12  ILE   4          HG11      ILE   4   4.031   9.627  -4.997
   32   HG13  ILE   4          HG12      ILE   4   4.044   7.847  -4.777
   33   HG21  ILE   4          HG21      ILE   4   0.799   9.727  -7.060
   34   HG22  ILE   4          HG22      ILE   4   2.115  10.752  -6.368
   35   HG23  ILE   4          HG23      ILE   4   2.447   9.656  -7.747
   36   HD11  ILE   4           HD1      ILE   4   4.578   9.352  -7.413
   37   HD12  ILE   4           HD2      ILE   4   5.750   8.423  -6.424
   38   HD13  ILE   4           HD3      ILE   4   4.411   7.567  -7.279
   39    H    LEU   5           HN       LEU   5   0.065   6.791  -5.436
   40    HA   LEU   5           HA       LEU   5  -2.183   8.178  -6.338
   41    HB2  LEU   5           HB1      LEU   5  -3.144   6.058  -6.926
   42    HB3  LEU   5           HB2      LEU   5  -1.412   6.096  -7.320
   43    HG   LEU   5           HG       LEU   5  -1.223   4.911  -4.875
   44   HD11  LEU   5          HD11      LEU   5  -3.711   4.881  -4.443
   45   HD12  LEU   5          HD12      LEU   5  -3.034   3.218  -4.608
   46   HD13  LEU   5          HD13      LEU   5  -3.946   3.955  -5.974
   47   HD21  LEU   5          HD21      LEU   5  -0.297   4.056  -7.030
   48   HD22  LEU   5          HD22      LEU   5  -1.939   3.467  -7.500
   49   HD23  LEU   5          HD23      LEU   5  -1.095   2.742  -6.085
   50    H    ALA   6           HN       ALA   6  -1.650   6.620  -3.150
   51    HA   ALA   6           HA       ALA   6  -4.275   6.860  -2.214
   52    HB1  ALA   6           HB1      ALA   6  -2.425   5.597  -1.065
   53    HB2  ALA   6           HB2      ALA   6  -1.606   7.153  -0.691
   54    HB3  ALA   6           HB3      ALA   6  -3.209   6.779   0.055
   55    H    SER   7           HN       SER   7  -1.641   9.266  -2.234
   56    HA   SER   7           HA       SER   7  -3.009  11.329  -0.898
   57    HB2  SER   7           HB1      SER   7  -0.761  11.533  -2.990
   58    HB3  SER   7           HB2      SER   7  -1.353  12.896  -1.979
   59    HG   SER   7           HG1      SER   7  -0.079  10.506  -1.124
   60    H    LEU   8           HN       LEU   8  -2.931  10.494  -4.370
   61    HA   LEU   8           HA       LEU   8  -4.570  12.636  -5.261
   62    HB2  LEU   8           HB1      LEU   8  -2.970  11.220  -6.643
   63    HB3  LEU   8           HB2      LEU   8  -4.061   9.827  -6.415
   64    HG   LEU   8           HG       LEU   8  -5.893  11.181  -7.603
   65   HD11  LEU   8          HD11      LEU   8  -5.132  13.057  -9.069
   66   HD12  LEU   8          HD12      LEU   8  -3.499  13.009  -8.314
   67   HD13  LEU   8          HD13      LEU   8  -4.944  13.489  -7.332
   68   HD21  LEU   8          HD21      LEU   8  -3.312  10.566  -9.175
   69   HD22  LEU   8          HD22      LEU   8  -4.970  10.719  -9.860
   70   HD23  LEU   8          HD23      LEU   8  -4.594   9.375  -8.721
   71    H    ALA   9           HN       ALA   9  -5.292   9.222  -4.384
   72    HA   ALA   9           HA       ALA   9  -7.932   9.122  -5.087
   73    HB1  ALA   9           HB1      ALA   9  -6.460   7.616  -2.839
   74    HB2  ALA   9           HB2      ALA   9  -8.010   7.095  -3.607
   75    HB3  ALA   9           HB3      ALA   9  -6.493   7.142  -4.576
   76    H    ALA  10           HN       ALA  10  -6.566  10.358  -2.053
   77    HA   ALA  10           HA       ALA  10  -9.003  10.581  -0.665
   78    HB1  ALA  10           HB1      ALA  10  -6.745  10.733   0.380
   79    HB2  ALA  10           HB2      ALA  10  -6.435  12.273  -0.500
   80    HB3  ALA  10           HB3      ALA  10  -7.728  12.190   0.770
   81    H    LYS  11           HN       LYS  11  -8.006  12.434  -3.455
   82    HA   LYS  11           HA       LYS  11  -9.980  14.567  -2.781
   83    HB2  LYS  11           HB1      LYS  11  -7.716  14.480  -4.870
   84    HB3  LYS  11           HB2      LYS  11  -8.976  15.745  -4.806
   85    HG2  LYS  11           HG1      LYS  11  -6.977  16.629  -3.857
   86    HG3  LYS  11           HG2      LYS  11  -8.213  16.490  -2.565
   87    HD2  LYS  11           HD1      LYS  11  -7.117  14.566  -1.597
   88    HD3  LYS  11           HD2      LYS  11  -6.114  14.317  -3.065
   89    HE2  LYS  11           HE1      LYS  11  -4.804  16.387  -2.547
   90    HE3  LYS  11           HE2      LYS  11  -5.798  16.655  -1.052
   91    HZ1  LYS  11           HZ1      LYS  11  -5.037  14.619  -0.167
   92    HZ2  LYS  11           HZ2      LYS  11  -3.643  15.397  -0.757
   93    HZ3  LYS  11           HZ3      LYS  11  -4.365  14.126  -1.628
   94    H    PHE  12           HN       PHE  12  -9.004  12.163  -5.297
   95    HA   PHE  12           HA       PHE  12 -11.386  12.869  -6.847
   96    HB2  PHE  12           HB1      PHE  12  -8.931  11.073  -7.343
   97    HB3  PHE  12           HB2      PHE  12 -10.347  11.104  -8.463
   98    HD1  PHE  12           HD1      PHE  12  -7.510  13.106  -7.144
   99    HD2  PHE  12           HD2      PHE  12 -10.918  13.041  -9.755
  100    HE1  PHE  12           HE1      PHE  12  -6.697  15.167  -8.263
  101    HE2  PHE  12           HE2      PHE  12 -10.101  15.089 -10.877
  102    HZ   PHE  12           HZ       PHE  12  -7.993  16.155 -10.132
  103    H    GLY  13           HN       GLY  13 -10.818  10.753  -4.291
  104    HA2  GLY  13           HA1      GLY  13 -13.106   9.063  -5.148
  105    HA3  GLY  13           HA2      GLY  13 -11.735   8.551  -4.109
  106    HA   PRO  14           HA       PRO  14 -14.068  11.190  -1.012
  107    HB2  PRO  14           HB1      PRO  14 -16.292  12.744  -1.677
  108    HB3  PRO  14           HB2      PRO  14 -14.600  13.332  -1.890
  109    HG2  PRO  14           HG1      PRO  14 -16.372  12.022  -4.031
  110    HG3  PRO  14           HG2      PRO  14 -15.464  13.586  -4.136
  111    HD2  PRO  14           HD1      PRO  14 -14.376  11.257  -5.125
  112    HD3  PRO  14           HD2      PRO  14 -13.346  12.467  -4.243
  113    H    LYS  15           HN       LYS  15 -15.842   9.623  -3.511
  114    HA   LYS  15           HA       LYS  15 -18.031   8.503  -2.193
  115    HB2  LYS  15           HB1      LYS  15 -17.570   8.486  -4.652
  116    HB3  LYS  15           HB2      LYS  15 -16.123   7.475  -4.388
  117    HG2  LYS  15           HG1      LYS  15 -17.602   5.573  -3.638
  118    HG3  LYS  15           HG2      LYS  15 -19.042   6.597  -3.942
  119    HD2  LYS  15           HD1      LYS  15 -18.355   6.845  -6.343
  120    HD3  LYS  15           HD2      LYS  15 -16.889   5.862  -6.029
  121    HE2  LYS  15           HE1      LYS  15 -18.334   3.858  -5.502
  122    HE3  LYS  15           HE2      LYS  15 -19.812   4.846  -5.841
  123    HZ1  LYS  15           HZ1      LYS  15 -17.615   4.254  -7.779
  124    HZ2  LYS  15           HZ2      LYS  15 -18.992   5.182  -8.099
  125    HZ3  LYS  15           HZ3      LYS  15 -19.145   3.532  -7.754
  126    H    LEU  16           HN       LEU  16 -14.610   7.318  -2.341
  127    HA   LEU  16           HA       LEU  16 -15.170   5.058  -0.626
  128    HB2  LEU  16           HB1      LEU  16 -12.536   6.359  -1.538
  129    HB3  LEU  16           HB2      LEU  16 -12.658   4.821  -0.630
  130    HG   LEU  16           HG       LEU  16 -13.804   5.307  -3.444
  131   HD11  LEU  16          HD11      LEU  16 -11.914   3.872  -4.217
  132   HD12  LEU  16          HD12      LEU  16 -11.281   3.785  -2.533
  133   HD13  LEU  16          HD13      LEU  16 -11.309   5.363  -3.403
  134   HD21  LEU  16          HD21      LEU  16 -15.086   3.534  -2.234
  135   HD22  LEU  16          HD22      LEU  16 -13.542   2.726  -1.766
  136   HD23  LEU  16          HD23      LEU  16 -14.031   2.795  -3.495
  137    H    PHE  17           HN       PHE  17 -13.728   8.308  -0.302
  138    HA   PHE  17           HA       PHE  17 -12.739   8.008   2.248
  139    HB2  PHE  17           HB1      PHE  17 -12.463   9.889   0.353
  140    HB3  PHE  17           HB2      PHE  17 -13.730  10.750   1.295
  141    HD1  PHE  17           HD1      PHE  17 -13.217  11.414   3.665
  142    HD2  PHE  17           HD2      PHE  17 -10.282   9.470   1.203
  143    HE1  PHE  17           HE1      PHE  17 -11.440  12.064   5.266
  144    HE2  PHE  17           HE2      PHE  17  -8.504  10.126   2.801
  145    HZ   PHE  17           HZ       PHE  17  -9.086  11.424   4.835
  146    H2   ABA  18           HN       AGL  18 -15.993   9.223   1.309
  147    HA   ABA  18           HA       AGL  18 -16.938   9.727   3.903
  148    HB3  ABA  18           HB2      AGL  18 -18.336   8.897   1.294
  149    HB2  ABA  18           HB1      AGL  18 -18.013  10.553   1.827
  150    HG3  ABA  18           HG       AGL  18 -20.247   8.676   2.737
  151    H    LEU  19           HN       LEU  19 -17.068   6.652   1.980
  152    HA   LEU  19           HA       LEU  19 -18.562   5.277   3.958
  153    HB2  LEU  19           HB1      LEU  19 -16.796   4.260   1.668
  154    HB3  LEU  19           HB2      LEU  19 -17.888   3.218   2.641
  155    HG   LEU  19           HG       LEU  19 -18.809   5.595   0.922
  156   HD11  LEU  19          HD11      LEU  19 -19.669   3.865  -0.648
  157   HD12  LEU  19          HD12      LEU  19 -18.938   2.565   0.370
  158   HD13  LEU  19          HD13      LEU  19 -17.877   3.763  -0.469
  159   HD21  LEU  19          HD21      LEU  19 -21.098   4.602   1.230
  160   HD22  LEU  19          HD22      LEU  19 -20.398   5.153   2.791
  161   HD23  LEU  19          HD23      LEU  19 -20.415   3.396   2.380
  162    H    VAL  20           HN       VAL  20 -14.997   5.331   3.342
  163    HA   VAL  20           HA       VAL  20 -14.482   3.425   5.345
  164    HB   VAL  20           HB       VAL  20 -12.974   3.961   3.464
  165   HG11  VAL  20          HG11      VAL  20 -12.071   6.343   5.224
  166   HG12  VAL  20          HG12      VAL  20 -11.347   5.798   3.675
  167   HG13  VAL  20          HG13      VAL  20 -13.016   6.478   3.692
  168   HG21  VAL  20          HG21      VAL  20 -10.918   3.492   4.774
  169   HG22  VAL  20          HG22      VAL  20 -11.721   4.013   6.292
  170   HG23  VAL  20          HG23      VAL  20 -12.300   2.539   5.421
  171    H    THR  21           HN       THR  21 -14.748   6.955   5.563
  172    HA   THR  21           HA       THR  21 -13.872   6.931   8.345
  173    HB   THR  21           HB       THR  21 -14.953   9.402   6.948
  174    HG1  THR  21           HG1      THR  21 -13.503   8.749   5.484
  175   HG21  THR  21          HG21      THR  21 -12.613   8.837   8.911
  176   HG22  THR  21          HG22      THR  21 -14.218   9.473   9.419
  177   HG23  THR  21          HG23      THR  21 -13.148  10.454   8.347
  178    H    LYS  22           HN       LYS  22 -16.850   6.630   6.687
  179    HA   LYS  22           HA       LYS  22 -18.939   6.548   7.191
  180    HB2  LYS  22           HB1      LYS  22 -18.199   6.137  10.121
  181    HB3  LYS  22           HB2      LYS  22 -19.740   5.723   9.324
  182    HG2  LYS  22           HG1      LYS  22 -18.855   3.648   9.333
  183    HG3  LYS  22           HG2      LYS  22 -18.187   4.191   7.761
  184    HD2  LYS  22           HD1      LYS  22 -16.076   4.885   8.997
  185    HD3  LYS  22           HD2      LYS  22 -16.769   4.247  10.519
  186    HE2  LYS  22           HE1      LYS  22 -16.685   1.930   9.666
  187    HE3  LYS  22           HE2      LYS  22 -16.313   2.518   7.990
  188    HZ1  LYS  22           HZ1      LYS  22 -14.577   2.996  10.363
  189    HZ2  LYS  22           HZ2      LYS  22 -14.299   3.432   8.753
  190    HZ3  LYS  22           HZ3      LYS  22 -14.316   1.790   9.184
  191    H    LYS  23           HN       LYS  23 -17.675   9.359   7.617
  192    HA   LYS  23           HA       LYS  23 -19.939  10.421   9.239
  193    HB2  LYS  23           HB1      LYS  23 -18.540  11.851  10.444
  194    HB3  LYS  23           HB2      LYS  23 -17.773  10.255  10.503
  195    HG2  LYS  23           HG1      LYS  23 -15.940  10.859   9.300
  196    HG3  LYS  23           HG2      LYS  23 -16.750  12.057   8.261
  197    HD2  LYS  23           HD1      LYS  23 -16.306  12.595  11.263
  198    HD3  LYS  23           HD2      LYS  23 -15.022  12.847  10.058
  199    HE2  LYS  23           HE1      LYS  23 -16.121  14.993  10.514
  200    HE3  LYS  23           HE2      LYS  23 -16.377  14.498   8.796
  201    HZ1  LYS  23           HZ1      LYS  23 -18.365  14.106  10.985
  202    HZ2  LYS  23           HZ2      LYS  23 -18.573  13.797   9.335
  203    HZ3  LYS  23           HZ3      LYS  23 -18.383  15.384   9.867
  204    H2   ABA  24           HN       AGL  24 -19.450  10.428   6.171
  205    HA   ABA  24           HA       AGL  24 -19.141  13.233   5.611
  206    HB3  ABA  24           HB2      AGL  24 -18.331  11.729   3.950
  207    HB2  ABA  24           HB1      AGL  24 -19.700  12.633   3.262
  208    HG3  ABA  24           HG       AGL  24 -21.136  10.409   4.072
  Start of MODEL    3
    1    H1   PHE   1           HN       PHE   1   4.655  -1.092  -3.392
    2    HA   PHE   1           HA       PHE   1   2.277  -0.687  -1.829
    3    HB2  PHE   1           HB1      PHE   1   4.998   0.573  -1.048
    4    HB3  PHE   1           HB2      PHE   1   3.409   1.082  -0.358
    5    HD1  PHE   1           HD1      PHE   1   2.144  -0.437   1.115
    6    HD2  PHE   1           HD2      PHE   1   6.049  -1.477  -0.339
    7    HE1  PHE   1           HE1      PHE   1   2.343  -2.162   2.881
    8    HE2  PHE   1           HE2      PHE   1   6.250  -3.202   1.430
    9    HZ   PHE   1           HZ       PHE   1   4.396  -3.544   3.042
   10    H    LEU   2           HN       LEU   2   1.149   1.151  -2.616
   11    HA   LEU   2           HA       LEU   2   2.574   2.714  -4.701
   12    HB2  LEU   2           HB1      LEU   2  -0.394   1.963  -4.553
   13    HB3  LEU   2           HB2      LEU   2   0.393   3.002  -5.775
   14    HG   LEU   2           HG       LEU   2   1.927   0.864  -6.206
   15   HD11  LEU   2          HD11      LEU   2  -0.660  -0.413  -5.086
   16   HD12  LEU   2          HD12      LEU   2   1.001  -0.638  -4.416
   17   HD13  LEU   2          HD13      LEU   2   0.594  -1.273  -6.047
   18   HD21  LEU   2          HD21      LEU   2  -0.992   1.034  -7.181
   19   HD22  LEU   2          HD22      LEU   2   0.353   0.162  -7.995
   20   HD23  LEU   2          HD23      LEU   2   0.401   1.958  -7.865
   21    HA   PRO   3           HA       PRO   3   1.097   5.356  -1.328
   22    HB2  PRO   3           HB1      PRO   3   3.263   7.037  -0.912
   23    HB3  PRO   3           HB2      PRO   3   3.278   5.297  -0.446
   24    HG2  PRO   3           HG1      PRO   3   4.409   6.527  -3.023
   25    HG3  PRO   3           HG2      PRO   3   5.231   5.398  -1.868
   26    HD2  PRO   3           HD1      PRO   3   3.987   4.437  -4.147
   27    HD3  PRO   3           HD2      PRO   3   3.889   3.545  -2.566
   28    H    ILE   4           HN       ILE   4   2.581   6.832  -4.184
   29    HA   ILE   4           HA       ILE   4   1.737   9.385  -4.161
   30    HB   ILE   4           HB       ILE   4   1.697   7.613  -6.639
   31   HG12  ILE   4          HG11      ILE   4   3.832   7.212  -5.544
   32   HG13  ILE   4          HG12      ILE   4   4.052   8.274  -6.958
   33   HG21  ILE   4          HG21      ILE   4   2.348   9.786  -7.774
   34   HG22  ILE   4          HG22      ILE   4   0.710   9.861  -7.046
   35   HG23  ILE   4          HG23      ILE   4   2.098  10.655  -6.218
   36   HD11  ILE   4           HD1      ILE   4   4.043   9.219  -4.005
   37   HD12  ILE   4           HD2      ILE   4   5.473   9.059  -5.083
   38   HD13  ILE   4           HD3      ILE   4   4.216  10.290  -5.442
   39    H    LEU   5           HN       LEU   5  -0.217   6.844  -5.759
   40    HA   LEU   5           HA       LEU   5  -2.349   8.548  -6.274
   41    HB2  LEU   5           HB1      LEU   5  -3.564   6.478  -6.959
   42    HB3  LEU   5           HB2      LEU   5  -1.964   6.725  -7.696
   43    HG   LEU   5           HG       LEU   5  -0.981   5.052  -6.030
   44   HD11  LEU   5          HD11      LEU   5  -2.602   3.347  -5.098
   45   HD12  LEU   5          HD12      LEU   5  -3.961   4.465  -5.478
   46   HD13  LEU   5          HD13      LEU   5  -2.708   4.926  -4.260
   47   HD21  LEU   5          HD21      LEU   5  -1.833   3.106  -7.351
   48   HD22  LEU   5          HD22      LEU   5  -1.469   4.522  -8.409
   49   HD23  LEU   5          HD23      LEU   5  -3.174   4.123  -7.984
   50    H    ALA   6           HN       ALA   6  -1.654   7.212  -3.142
   51    HA   ALA   6           HA       ALA   6  -4.321   6.911  -2.248
   52    HB1  ALA   6           HB1      ALA   6  -1.773   7.708  -0.709
   53    HB2  ALA   6           HB2      ALA   6  -3.303   7.099   0.028
   54    HB3  ALA   6           HB3      ALA   6  -2.317   6.023  -1.027
   55    H    SER   7           HN       SER   7  -2.102   9.749  -2.223
   56    HA   SER   7           HA       SER   7  -3.906  11.601  -1.147
   57    HB2  SER   7           HB1      SER   7  -1.629  12.066  -3.166
   58    HB3  SER   7           HB2      SER   7  -2.437  13.346  -2.175
   59    HG   SER   7           HG1      SER   7  -0.488  12.578  -1.222
   60    H    LEU   8           HN       LEU   8  -3.329  10.593  -4.514
   61    HA   LEU   8           HA       LEU   8  -5.060  12.459  -5.738
   62    HB2  LEU   8           HB1      LEU   8  -3.202  11.038  -6.822
   63    HB3  LEU   8           HB2      LEU   8  -4.311   9.640  -6.703
   64    HG   LEU   8           HG       LEU   8  -5.979  10.981  -8.137
   65   HD11  LEU   8          HD11      LEU   8  -5.037  12.832  -9.529
   66   HD12  LEU   8          HD12      LEU   8  -3.493  12.760  -8.608
   67   HD13  LEU   8          HD13      LEU   8  -5.011  13.286  -7.785
   68   HD21  LEU   8          HD21      LEU   8  -4.784  10.457 -10.257
   69   HD22  LEU   8          HD22      LEU   8  -4.566   9.140  -9.048
   70   HD23  LEU   8          HD23      LEU   8  -3.229  10.311  -9.362
   71    H    ALA   9           HN       ALA   9  -5.617   9.077  -4.636
   72    HA   ALA   9           HA       ALA   9  -8.292   8.871  -5.339
   73    HB1  ALA   9           HB1      ALA   9  -6.717   7.532  -3.057
   74    HB2  ALA   9           HB2      ALA   9  -8.289   6.947  -3.726
   75    HB3  ALA   9           HB3      ALA   9  -6.808   6.943  -4.752
   76    H    ALA  10           HN       ALA  10  -6.858  10.059  -2.213
   77    HA   ALA  10           HA       ALA  10  -9.347  10.576  -1.009
   78    HB1  ALA  10           HB1      ALA  10  -8.020  12.082   0.492
   79    HB2  ALA  10           HB2      ALA  10  -7.145  10.536   0.195
   80    HB3  ALA  10           HB3      ALA  10  -6.644  12.024  -0.679
   81    H    LYS  11           HN       LYS  11  -7.301  12.708  -3.038
   82    HA   LYS  11           HA       LYS  11  -8.968  14.950  -2.922
   83    HB2  LYS  11           HB1      LYS  11  -6.650  15.194  -3.478
   84    HB3  LYS  11           HB2      LYS  11  -6.767  13.991  -4.784
   85    HG2  LYS  11           HG1      LYS  11  -6.484  16.256  -5.708
   86    HG3  LYS  11           HG2      LYS  11  -7.997  15.470  -6.215
   87    HD2  LYS  11           HD1      LYS  11  -8.984  16.905  -4.075
   88    HD3  LYS  11           HD2      LYS  11  -7.545  17.895  -4.407
   89    HE2  LYS  11           HE1      LYS  11  -9.615  18.754  -5.568
   90    HE3  LYS  11           HE2      LYS  11  -8.362  18.269  -6.781
   91    HZ1  LYS  11           HZ1      LYS  11  -9.554  16.375  -7.319
   92    HZ2  LYS  11           HZ2      LYS  11 -10.814  17.479  -7.029
   93    HZ3  LYS  11           HZ3      LYS  11 -10.379  16.325  -5.861
   94    H    PHE  12           HN       PHE  12  -9.007  12.305  -5.397
   95    HA   PHE  12           HA       PHE  12 -11.317  13.687  -6.651
   96    HB2  PHE  12           HB1      PHE  12  -9.265  11.665  -7.712
   97    HB3  PHE  12           HB2      PHE  12 -10.774  12.077  -8.607
   98    HD1  PHE  12           HD1      PHE  12  -7.416  13.176  -7.811
   99    HD2  PHE  12           HD2      PHE  12 -11.252  14.438  -9.247
  100    HE1  PHE  12           HE1      PHE  12  -6.375  15.198  -8.808
  101    HE2  PHE  12           HE2      PHE  12 -10.219  16.458 -10.252
  102    HZ   PHE  12           HZ       PHE  12  -7.778  16.843 -10.022
  103    H    GLY  13           HN       GLY  13 -10.859  11.120  -4.468
  104    HA2  GLY  13           HA1      GLY  13 -13.386   9.883  -5.405
  105    HA3  GLY  13           HA2      GLY  13 -12.013   9.057  -4.607
  106    HA   PRO  14           HA       PRO  14 -13.732  11.244  -0.899
  107    HB2  PRO  14           HB1      PRO  14 -15.775  13.149  -0.975
  108    HB3  PRO  14           HB2      PRO  14 -14.055  13.558  -1.335
  109    HG2  PRO  14           HG1      PRO  14 -16.240  12.843  -3.379
  110    HG3  PRO  14           HG2      PRO  14 -15.175  14.310  -3.361
  111    HD2  PRO  14           HD1      PRO  14 -14.489  12.107  -4.862
  112    HD3  PRO  14           HD2      PRO  14 -13.220  13.001  -3.912
  113    H    LYS  15           HN       LYS  15 -15.809  10.100  -3.327
  114    HA   LYS  15           HA       LYS  15 -18.035   9.132  -1.909
  115    HB2  LYS  15           HB1      LYS  15 -17.774   9.197  -4.402
  116    HB3  LYS  15           HB2      LYS  15 -16.417   8.038  -4.297
  117    HG2  LYS  15           HG1      LYS  15 -18.027   6.272  -3.447
  118    HG3  LYS  15           HG2      LYS  15 -19.370   7.445  -3.635
  119    HD2  LYS  15           HD1      LYS  15 -18.837   7.649  -6.083
  120    HD3  LYS  15           HD2      LYS  15 -17.460   6.516  -5.877
  121    HE2  LYS  15           HE1      LYS  15 -19.071   4.674  -5.225
  122    HE3  LYS  15           HE2      LYS  15 -20.454   5.813  -5.481
  123    HZ1  LYS  15           HZ1      LYS  15 -18.462   4.974  -7.542
  124    HZ2  LYS  15           HZ2      LYS  15 -19.742   6.051  -7.789
  125    HZ3  LYS  15           HZ3      LYS  15 -20.059   4.430  -7.416
  126    H    LEU  16           HN       LEU  16 -14.752   7.680  -2.400
  127    HA   LEU  16           HA       LEU  16 -15.365   5.341  -0.844
  128    HB2  LEU  16           HB1      LEU  16 -12.701   6.576  -1.758
  129    HB3  LEU  16           HB2      LEU  16 -12.865   4.979  -0.965
  130    HG   LEU  16           HG       LEU  16 -14.099   5.739  -3.678
  131   HD11  LEU  16          HD11      LEU  16 -11.640   4.011  -2.990
  132   HD12  LEU  16          HD12      LEU  16 -11.605   5.648  -3.742
  133   HD13  LEU  16          HD13      LEU  16 -12.331   4.257  -4.634
  134   HD21  LEU  16          HD21      LEU  16 -15.439   3.954  -2.550
  135   HD22  LEU  16          HD22      LEU  16 -13.929   3.032  -2.199
  136   HD23  LEU  16          HD23      LEU  16 -14.473   3.250  -3.899
  137    H    PHE  17           HN       PHE  17 -13.759   8.469  -0.253
  138    HA   PHE  17           HA       PHE  17 -12.780   7.874   2.266
  139    HB2  PHE  17           HB1      PHE  17 -12.511   9.953   0.510
  140    HB3  PHE  17           HB2      PHE  17 -13.614  10.750   1.684
  141    HD1  PHE  17           HD1      PHE  17 -12.864  10.799   4.150
  142    HD2  PHE  17           HD2      PHE  17 -10.267   9.514   0.978
  143    HE1  PHE  17           HE1      PHE  17 -10.899  11.150   5.614
  144    HE2  PHE  17           HE2      PHE  17  -8.302   9.858   2.445
  145    HZ   PHE  17           HZ       PHE  17  -8.616  10.683   4.762
  146    H2   ABA  18           HN       AGL  18 -15.959   9.372   1.434
  147    HA   ABA  18           HA       AGL  18 -16.902   9.593   4.065
  148    HB3  ABA  18           HB2      AGL  18 -18.318   9.176   1.376
  149    HB2  ABA  18           HB1      AGL  18 -17.970  10.727   2.158
  150    HG3  ABA  18           HG       AGL  18 -20.224   8.744   2.764
  151    H    LEU  19           HN       LEU  19 -17.083   6.762   1.814
  152    HA   LEU  19           HA       LEU  19 -18.643   5.203   3.581
  153    HB2  LEU  19           HB1      LEU  19 -16.790   4.443   1.270
  154    HB3  LEU  19           HB2      LEU  19 -17.837   3.262   2.122
  155    HG   LEU  19           HG       LEU  19 -18.903   5.753   0.677
  156   HD11  LEU  19          HD11      LEU  19 -18.757   2.827  -0.286
  157   HD12  LEU  19          HD12      LEU  19 -17.797   4.215  -0.930
  158   HD13  LEU  19          HD13      LEU  19 -19.591   4.185  -1.136
  159   HD21  LEU  19          HD21      LEU  19 -20.461   4.917   2.434
  160   HD22  LEU  19          HD22      LEU  19 -20.328   3.243   1.776
  161   HD23  LEU  19          HD23      LEU  19 -21.102   4.543   0.796
  162    H    VAL  20           HN       VAL  20 -15.015   5.284   3.198
  163    HA   VAL  20           HA       VAL  20 -14.734   3.212   5.116
  164    HB   VAL  20           HB       VAL  20 -12.370   3.691   5.230
  165   HG11  VAL  20          HG11      VAL  20 -13.523   3.742   2.360
  166   HG12  VAL  20          HG12      VAL  20 -11.899   3.155   2.859
  167   HG13  VAL  20          HG13      VAL  20 -13.375   2.279   3.407
  168   HG21  VAL  20          HG21      VAL  20 -11.388   5.459   3.719
  169   HG22  VAL  20          HG22      VAL  20 -13.039   6.100   3.407
  170   HG23  VAL  20          HG23      VAL  20 -12.325   6.190   5.063
  171    H    THR  21           HN       THR  21 -14.522   6.816   5.587
  172    HA   THR  21           HA       THR  21 -14.002   6.470   8.362
  173    HB   THR  21           HB       THR  21 -15.129   9.002   7.127
  174    HG1  THR  21           HG1      THR  21 -12.414   8.262   7.379
  175   HG21  THR  21          HG21      THR  21 -13.711  10.037   8.948
  176   HG22  THR  21          HG22      THR  21 -13.195   8.404   9.498
  177   HG23  THR  21          HG23      THR  21 -14.908   8.909   9.681
  178    H    LYS  22           HN       LYS  22 -16.953   6.589   6.484
  179    HA   LYS  22           HA       LYS  22 -19.076   6.479   6.869
  180    HB2  LYS  22           HB1      LYS  22 -18.366   5.425   9.642
  181    HB3  LYS  22           HB2      LYS  22 -19.959   5.263   8.861
  182    HG2  LYS  22           HG1      LYS  22 -19.244   3.687   7.290
  183    HG3  LYS  22           HG2      LYS  22 -17.516   4.072   7.439
  184    HD2  LYS  22           HD1      LYS  22 -18.838   3.139   9.991
  185    HD3  LYS  22           HD2      LYS  22 -18.789   1.937   8.678
  186    HE2  LYS  22           HE1      LYS  22 -16.810   1.839  10.305
  187    HE3  LYS  22           HE2      LYS  22 -16.384   1.928   8.550
  188    HZ1  LYS  22           HZ1      LYS  22 -16.612   4.501   9.879
  189    HZ2  LYS  22           HZ2      LYS  22 -15.496   3.910   8.770
  190    HZ3  LYS  22           HZ3      LYS  22 -15.324   3.520  10.406
  191    H    LYS  23           HN       LYS  23 -17.603   9.038   8.017
  192    HA   LYS  23           HA       LYS  23 -19.910   9.888   9.695
  193    HB2  LYS  23           HB1      LYS  23 -18.605  11.357  10.892
  194    HB3  LYS  23           HB2      LYS  23 -17.643   9.872  10.809
  195    HG2  LYS  23           HG1      LYS  23 -15.964  10.819   9.571
  196    HG3  LYS  23           HG2      LYS  23 -16.992  11.929   8.639
  197    HD2  LYS  23           HD1      LYS  23 -16.510  12.386  11.646
  198    HD3  LYS  23           HD2      LYS  23 -15.306  12.852  10.420
  199    HE2  LYS  23           HE1      LYS  23 -16.635  14.821  10.988
  200    HE3  LYS  23           HE2      LYS  23 -16.907  14.358   9.264
  201    HZ1  LYS  23           HZ1      LYS  23 -18.952  14.961  10.441
  202    HZ2  LYS  23           HZ2      LYS  23 -18.738  13.666  11.518
  203    HZ3  LYS  23           HZ3      LYS  23 -18.981  13.380   9.868
  204    H2   ABA  24           HN       AGL  24 -19.434  10.120   6.531
  205    HA   ABA  24           HA       AGL  24 -19.274  12.959   6.204
  206    HB3  ABA  24           HB2      AGL  24 -18.337  11.579   4.480
  207    HB2  ABA  24           HB1      AGL  24 -19.655  12.573   3.811
  208    HG3  ABA  24           HG       AGL  24 -21.136  10.268   4.338
  Start of MODEL    4
    1    H1   PHE   1           HN       PHE   1  -1.449   0.168  -2.904
    2    HA   PHE   1           HA       PHE   1   0.553  -0.005  -1.361
    3    HB2  PHE   1           HB1      PHE   1   0.969  -0.722  -4.344
    4    HB3  PHE   1           HB2      PHE   1   1.820  -1.486  -2.947
    5    HD1  PHE   1           HD1      PHE   1   0.110  -2.408  -1.053
    6    HD2  PHE   1           HD2      PHE   1  -0.835  -1.880  -5.213
    7    HE1  PHE   1           HE1      PHE   1  -1.738  -4.043  -0.844
    8    HE2  PHE   1           HE2      PHE   1  -2.675  -3.520  -5.002
    9    HZ   PHE   1           HZ       PHE   1  -3.134  -4.599  -2.818
   10    H    LEU   2           HN       LEU   2   0.410   2.437  -3.686
   11    HA   LEU   2           HA       LEU   2   3.208   3.244  -3.153
   12    HB2  LEU   2           HB1      LEU   2   1.484   3.834  -5.627
   13    HB3  LEU   2           HB2      LEU   2   3.021   4.675  -5.256
   14    HG   LEU   2           HG       LEU   2   3.493   3.108  -6.922
   15   HD11  LEU   2          HD11      LEU   2   5.224   3.248  -5.103
   16   HD12  LEU   2          HD12      LEU   2   5.221   1.652  -5.951
   17   HD13  LEU   2          HD13      LEU   2   4.489   1.793  -4.318
   18   HD21  LEU   2          HD21      LEU   2   3.058   0.721  -6.932
   19   HD22  LEU   2          HD22      LEU   2   1.506   1.595  -6.665
   20   HD23  LEU   2          HD23      LEU   2   2.346   0.779  -5.286
   21    HA   PRO   3           HA       PRO   3   0.943   6.260  -0.927
   22    HB2  PRO   3           HB1      PRO   3   2.892   8.200  -0.311
   23    HB3  PRO   3           HB2      PRO   3   2.844   6.555   0.417
   24    HG2  PRO   3           HG1      PRO   3   4.487   7.443  -2.020
   25    HG3  PRO   3           HG2      PRO   3   5.060   6.562  -0.544
   26    HD2  PRO   3           HD1      PRO   3   4.418   5.184  -2.831
   27    HD3  PRO   3           HD2      PRO   3   3.894   4.534  -1.215
   28    H    ILE   4           HN       ILE   4   2.672   7.451  -3.720
   29    HA   ILE   4           HA       ILE   4   1.586   9.855  -4.307
   30    HB   ILE   4           HB       ILE   4   1.929   7.634  -6.341
   31   HG12  ILE   4          HG11      ILE   4   3.984   7.629  -5.042
   32   HG13  ILE   4          HG12      ILE   4   4.251   8.417  -6.615
   33   HG21  ILE   4          HG21      ILE   4   2.511   9.602  -7.833
   34   HG22  ILE   4          HG22      ILE   4   0.819   9.685  -7.237
   35   HG23  ILE   4          HG23      ILE   4   2.090  10.722  -6.490
   36   HD11  ILE   4           HD1      ILE   4   5.449   9.648  -4.833
   37   HD12  ILE   4           HD2      ILE   4   4.160  10.695  -5.505
   38   HD13  ILE   4           HD3      ILE   4   3.928   9.900  -3.913
   39    H    LEU   5           HN       LEU   5   0.041   6.798  -5.463
   40    HA   LEU   5           HA       LEU   5  -2.246   8.152  -6.363
   41    HB2  LEU   5           HB1      LEU   5  -3.175   5.969  -6.905
   42    HB3  LEU   5           HB2      LEU   5  -1.478   6.136  -7.411
   43    HG   LEU   5           HG       LEU   5  -0.958   4.905  -5.088
   44   HD11  LEU   5          HD11      LEU   5  -3.341   4.771  -4.264
   45   HD12  LEU   5          HD12      LEU   5  -2.658   3.140  -4.583
   46   HD13  LEU   5          HD13      LEU   5  -3.795   3.884  -5.763
   47   HD21  LEU   5          HD21      LEU   5  -0.964   2.747  -6.330
   48   HD22  LEU   5          HD22      LEU   5  -0.355   4.091  -7.367
   49   HD23  LEU   5          HD23      LEU   5  -2.030   3.467  -7.591
   50    H    ALA   6           HN       ALA   6  -1.552   6.785  -3.157
   51    HA   ALA   6           HA       ALA   6  -4.198   6.835  -2.197
   52    HB1  ALA   6           HB1      ALA   6  -2.273   5.723  -1.021
   53    HB2  ALA   6           HB2      ALA   6  -1.553   7.342  -0.701
   54    HB3  ALA   6           HB3      ALA   6  -3.126   6.888   0.054
   55    H    SER   7           HN       SER   7  -1.728   9.405  -2.362
   56    HA   SER   7           HA       SER   7  -3.238  11.434  -1.107
   57    HB2  SER   7           HB1      SER   7  -1.068  11.743  -3.273
   58    HB3  SER   7           HB2      SER   7  -1.703  13.051  -2.209
   59    HG   SER   7           HG1      SER   7  -0.245  10.730  -1.447
   60    H    LEU   8           HN       LEU   8  -2.997  10.478  -4.541
   61    HA   LEU   8           HA       LEU   8  -4.732  12.426  -5.598
   62    HB2  LEU   8           HB1      LEU   8  -3.063  10.946  -6.849
   63    HB3  LEU   8           HB2      LEU   8  -4.174   9.572  -6.601
   64    HG   LEU   8           HG       LEU   8  -5.957  10.913  -7.887
   65   HD11  LEU   8          HD11      LEU   8  -4.964  13.215  -7.658
   66   HD12  LEU   8          HD12      LEU   8  -5.136  12.738  -9.385
   67   HD13  LEU   8          HD13      LEU   8  -3.518  12.676  -8.599
   68   HD21  LEU   8          HD21      LEU   8  -4.974  10.360 -10.103
   69   HD22  LEU   8          HD22      LEU   8  -4.648   9.053  -8.908
   70   HD23  LEU   8          HD23      LEU   8  -3.342  10.213  -9.359
   71    H    ALA   9           HN       ALA   9  -5.392   9.073  -4.471
   72    HA   ALA   9           HA       ALA   9  -8.100   8.966  -4.960
   73    HB1  ALA   9           HB1      ALA   9  -6.649   6.991  -4.392
   74    HB2  ALA   9           HB2      ALA   9  -6.464   7.633  -2.727
   75    HB3  ALA   9           HB3      ALA   9  -8.086   7.081  -3.308
   76    H    ALA  10           HN       ALA  10  -6.380  10.394  -2.179
   77    HA   ALA  10           HA       ALA  10  -8.844  10.977  -0.792
   78    HB1  ALA  10           HB1      ALA  10  -6.670  10.526   0.332
   79    HB2  ALA  10           HB2      ALA  10  -5.944  12.011  -0.377
   80    HB3  ALA  10           HB3      ALA  10  -7.306  12.136   0.797
   81    H    LYS  11           HN       LYS  11  -7.955  12.226  -3.626
   82    HA   LYS  11           HA       LYS  11  -9.450  14.713  -2.970
   83    HB2  LYS  11           HB1      LYS  11  -7.170  14.310  -4.989
   84    HB3  LYS  11           HB2      LYS  11  -8.440  15.520  -5.292
   85    HG2  LYS  11           HG1      LYS  11  -6.800  16.799  -4.359
   86    HG3  LYS  11           HG2      LYS  11  -8.007  16.667  -3.118
   87    HD2  LYS  11           HD1      LYS  11  -6.207  14.434  -2.559
   88    HD3  LYS  11           HD2      LYS  11  -5.161  15.576  -3.219
   89    HE2  LYS  11           HE1      LYS  11  -5.225  15.774  -0.763
   90    HE3  LYS  11           HE2      LYS  11  -5.840  17.332  -1.449
   91    HZ1  LYS  11           HZ1      LYS  11  -7.624  15.108  -0.722
   92    HZ2  LYS  11           HZ2      LYS  11  -8.036  16.700  -1.034
   93    HZ3  LYS  11           HZ3      LYS  11  -7.195  16.329   0.397
   94    H    PHE  12           HN       PHE  12  -8.830  12.191  -5.500
   95    HA   PHE  12           HA       PHE  12 -11.318  12.979  -6.797
   96    HB2  PHE  12           HB1      PHE  12  -8.991  11.103  -7.534
   97    HB3  PHE  12           HB2      PHE  12 -10.490  11.239  -8.544
   98    HD1  PHE  12           HD1      PHE  12  -7.418  13.005  -7.425
   99    HD2  PHE  12           HD2      PHE  12 -11.060  13.280  -9.694
  100    HE1  PHE  12           HE1      PHE  12  -6.560  15.041  -8.563
  101    HE2  PHE  12           HE2      PHE  12 -10.201  15.302 -10.833
  102    HZ   PHE  12           HZ       PHE  12  -7.954  16.183 -10.272
  103    H    GLY  13           HN       GLY  13 -10.633  10.799  -4.321
  104    HA2  GLY  13           HA1      GLY  13 -12.911   9.081  -5.108
  105    HA3  GLY  13           HA2      GLY  13 -11.560   8.653  -4.029
  106    HA   PRO  14           HA       PRO  14 -13.985  11.260  -1.012
  107    HB2  PRO  14           HB1      PRO  14 -16.207  12.806  -1.698
  108    HB3  PRO  14           HB2      PRO  14 -14.515  13.407  -1.880
  109    HG2  PRO  14           HG1      PRO  14 -16.251  12.100  -4.053
  110    HG3  PRO  14           HG2      PRO  14 -15.351  13.667  -4.141
  111    HD2  PRO  14           HD1      PRO  14 -14.252  11.339  -5.122
  112    HD3  PRO  14           HD2      PRO  14 -13.224  12.550  -4.237
  113    H    LYS  15           HN       LYS  15 -15.757   9.676  -3.526
  114    HA   LYS  15           HA       LYS  15 -17.944   8.598  -2.161
  115    HB2  LYS  15           HB1      LYS  15 -17.558   8.542  -4.630
  116    HB3  LYS  15           HB2      LYS  15 -16.112   7.520  -4.395
  117    HG2  LYS  15           HG1      LYS  15 -17.590   5.651  -3.547
  118    HG3  LYS  15           HG2      LYS  15 -19.027   6.682  -3.841
  119    HD2  LYS  15           HD1      LYS  15 -18.415   6.838  -6.269
  120    HD3  LYS  15           HD2      LYS  15 -16.937   5.869  -5.964
  121    HE2  LYS  15           HE1      LYS  15 -18.362   3.887  -5.308
  122    HE3  LYS  15           HE2      LYS  15 -19.851   4.857  -5.649
  123    HZ1  LYS  15           HZ1      LYS  15 -19.092   5.097  -7.941
  124    HZ2  LYS  15           HZ2      LYS  15 -19.234   3.463  -7.520
  125    HZ3  LYS  15           HZ3      LYS  15 -17.706   4.183  -7.617
  126    H    LEU  16           HN       LEU  16 -14.550   7.354  -2.379
  127    HA   LEU  16           HA       LEU  16 -15.101   5.097  -0.670
  128    HB2  LEU  16           HB1      LEU  16 -12.469   6.408  -1.577
  129    HB3  LEU  16           HB2      LEU  16 -12.589   4.856  -0.690
  130    HG   LEU  16           HG       LEU  16 -13.746   5.379  -3.493
  131   HD11  LEU  16          HD11      LEU  16 -11.856   3.957  -4.291
  132   HD12  LEU  16          HD12      LEU  16 -11.217   3.851  -2.612
  133   HD13  LEU  16          HD13      LEU  16 -11.250   5.439  -3.462
  134   HD21  LEU  16          HD21      LEU  16 -15.019   3.589  -2.297
  135   HD22  LEU  16          HD22      LEU  16 -13.471   2.780  -1.846
  136   HD23  LEU  16          HD23      LEU  16 -13.969   2.867  -3.572
  137    H    PHE  17           HN       PHE  17 -13.642   8.331  -0.320
  138    HA   PHE  17           HA       PHE  17 -12.665   8.016   2.229
  139    HB2  PHE  17           HB1      PHE  17 -12.442   9.930   0.326
  140    HB3  PHE  17           HB2      PHE  17 -13.649  10.778   1.356
  141    HD1  PHE  17           HD1      PHE  17 -13.034  11.126   3.840
  142    HD2  PHE  17           HD2      PHE  17 -10.200   9.677   0.952
  143    HE1  PHE  17           HE1      PHE  17 -11.183  11.666   5.385
  144    HE2  PHE  17           HE2      PHE  17  -8.344  10.234   2.497
  145    HZ   PHE  17           HZ       PHE  17  -8.836  11.229   4.715
  146    H2   ABA  18           HN       AGL  18 -15.920   9.192   1.278
  147    HA   ABA  18           HA       AGL  18 -16.914   9.724   3.836
  148    HB3  ABA  18           HB2      AGL  18 -18.183   8.782   1.204
  149    HB2  ABA  18           HB1      AGL  18 -18.007  10.457   1.750
  150    HG3  ABA  18           HG       AGL  18 -20.161   8.442   2.477
  151    H    LEU  19           HN       LEU  19 -16.886   6.596   2.022
  152    HA   LEU  19           HA       LEU  19 -18.399   5.211   3.975
  153    HB2  LEU  19           HB1      LEU  19 -16.470   4.226   1.802
  154    HB3  LEU  19           HB2      LEU  19 -17.550   3.151   2.747
  155    HG   LEU  19           HG       LEU  19 -18.536   5.436   0.940
  156   HD11  LEU  19          HD11      LEU  19 -18.370   2.407   0.389
  157   HD12  LEU  19          HD12      LEU  19 -17.370   3.695  -0.389
  158   HD13  LEU  19          HD13      LEU  19 -19.152   3.640  -0.674
  159   HD21  LEU  19          HD21      LEU  19 -20.032   3.101   2.299
  160   HD22  LEU  19          HD22      LEU  19 -20.749   4.261   1.123
  161   HD23  LEU  19          HD23      LEU  19 -20.178   4.847   2.725
  162    H    VAL  20           HN       VAL  20 -14.808   5.316   3.426
  163    HA   VAL  20           HA       VAL  20 -14.315   3.544   5.566
  164    HB   VAL  20           HB       VAL  20 -11.978   4.091   5.424
  165   HG11  VAL  20          HG11      VAL  20 -13.048   2.500   3.797
  166   HG12  VAL  20          HG12      VAL  20 -13.311   3.861   2.640
  167   HG13  VAL  20          HG13      VAL  20 -11.639   3.366   3.083
  168   HG21  VAL  20          HG21      VAL  20 -12.051   6.558   5.072
  169   HG22  VAL  20          HG22      VAL  20 -11.165   5.770   3.726
  170   HG23  VAL  20          HG23      VAL  20 -12.862   6.321   3.475
  171    H    THR  21           HN       THR  21 -14.611   7.077   5.538
  172    HA   THR  21           HA       THR  21 -13.688   7.236   8.290
  173    HB   THR  21           HB       THR  21 -15.122   9.519   6.883
  174    HG1  THR  21           HG1      THR  21 -13.554   8.909   5.443
  175   HG21  THR  21          HG21      THR  21 -13.449  10.836   8.242
  176   HG22  THR  21          HG22      THR  21 -12.719   9.309   8.841
  177   HG23  THR  21          HG23      THR  21 -14.387   9.756   9.345
  178    H    LYS  22           HN       LYS  22 -16.593   6.339   6.815
  179    HA   LYS  22           HA       LYS  22 -18.633   5.971   7.460
  180    HB2  LYS  22           HB1      LYS  22 -17.109   4.718   9.105
  181    HB3  LYS  22           HB2      LYS  22 -17.609   5.942  10.308
  182    HG2  LYS  22           HG1      LYS  22 -20.041   4.942   9.095
  183    HG3  LYS  22           HG2      LYS  22 -19.003   3.502   9.306
  184    HD2  LYS  22           HD1      LYS  22 -19.771   5.565  11.470
  185    HD3  LYS  22           HD2      LYS  22 -20.557   3.970  11.238
  186    HE2  LYS  22           HE1      LYS  22 -18.401   2.795  11.807
  187    HE3  LYS  22           HE2      LYS  22 -17.587   4.392  12.043
  188    HZ1  LYS  22           HZ1      LYS  22 -18.334   3.463  14.126
  189    HZ2  LYS  22           HZ2      LYS  22 -19.937   3.386  13.576
  190    HZ3  LYS  22           HZ3      LYS  22 -19.184   4.888  13.783
  191    H    LYS  23           HN       LYS  23 -17.903   8.966   7.584
  192    HA   LYS  23           HA       LYS  23 -20.325   9.791   9.054
  193    HB2  LYS  23           HB1      LYS  23 -19.250  11.306  10.515
  194    HB3  LYS  23           HB2      LYS  23 -18.463   9.731  10.730
  195    HG2  LYS  23           HG1      LYS  23 -16.451  10.347   9.660
  196    HG3  LYS  23           HG2      LYS  23 -17.151  11.715   8.781
  197    HD2  LYS  23           HD1      LYS  23 -16.508  11.558  11.784
  198    HD3  LYS  23           HD2      LYS  23 -15.706  12.554  10.542
  199    HE2  LYS  23           HE1      LYS  23 -18.512  12.941  11.779
  200    HE3  LYS  23           HE2      LYS  23 -17.101  14.060  11.831
  201    HZ1  LYS  23           HZ1      LYS  23 -18.791  14.745  10.231
  202    HZ2  LYS  23           HZ2      LYS  23 -18.634  13.294   9.385
  203    HZ3  LYS  23           HZ3      LYS  23 -17.333  14.367   9.439
  204    H2   ABA  24           HN       AGL  24 -19.656   9.963   6.148
  205    HA   ABA  24           HA       AGL  24 -19.480  12.834   5.730
  206    HB3  ABA  24           HB2      AGL  24 -18.447  11.477   4.033
  207    HB2  ABA  24           HB1      AGL  24 -19.831  12.368   3.338
  208    HG3  ABA  24           HG       AGL  24 -21.187  10.030   3.910
  Start of MODEL    5
    1    H1   PHE   1           HN       PHE   1   0.618   1.117   0.151
    2    HA   PHE   1           HA       PHE   1   3.167   0.785  -0.928
    3    HB2  PHE   1           HB1      PHE   1   0.971  -1.154  -1.899
    4    HB3  PHE   1           HB2      PHE   1   2.417  -0.760  -2.904
    5    HD1  PHE   1           HD1      PHE   1   4.593  -1.613  -2.363
    6    HD2  PHE   1           HD2      PHE   1   1.267  -2.377   0.243
    7    HE1  PHE   1           HE1      PHE   1   5.918  -3.340  -1.180
    8    HE2  PHE   1           HE2      PHE   1   2.588  -4.105   1.426
    9    HZ   PHE   1           HZ       PHE   1   4.916  -4.587   0.719
   10    H    LEU   2           HN       LEU   2   3.039   1.449  -3.358
   11    HA   LEU   2           HA       LEU   2   2.790   3.262  -4.609
   12    HB2  LEU   2           HB1      LEU   2  -0.131   2.433  -4.571
   13    HB3  LEU   2           HB2      LEU   2   0.681   3.433  -5.809
   14    HG   LEU   2           HG       LEU   2   2.326   1.194  -5.790
   15   HD11  LEU   2          HD11      LEU   2   0.854  -0.814  -5.886
   16   HD12  LEU   2          HD12      LEU   2  -0.583   0.192  -5.484
   17   HD13  LEU   2          HD13      LEU   2   0.708  -0.044  -4.256
   18   HD21  LEU   2          HD21      LEU   2   1.415   2.399  -7.794
   19   HD22  LEU   2          HD22      LEU   2  -0.189   1.617  -7.520
   20   HD23  LEU   2          HD23      LEU   2   1.238   0.609  -7.938
   21    HA   PRO   3           HA       PRO   3   0.950   5.734  -1.127
   22    HB2  PRO   3           HB1      PRO   3   3.072   7.449  -0.378
   23    HB3  PRO   3           HB2      PRO   3   2.897   5.740   0.178
   24    HG2  PRO   3           HG1      PRO   3   4.520   6.756  -2.221
   25    HG3  PRO   3           HG2      PRO   3   5.090   5.681  -0.874
   26    HD2  PRO   3           HD1      PRO   3   4.263   4.575  -3.239
   27    HD3  PRO   3           HD2      PRO   3   3.709   3.839  -1.660
   28    H    ILE   4           HN       ILE   4   2.622   7.156  -3.848
   29    HA   ILE   4           HA       ILE   4   1.692   9.714  -3.986
   30    HB   ILE   4           HB       ILE   4   1.903   7.756  -6.311
   31   HG12  ILE   4          HG11      ILE   4   4.005   9.606  -5.022
   32   HG13  ILE   4          HG12      ILE   4   3.990   7.817  -4.906
   33   HG21  ILE   4          HG21      ILE   4   2.028  10.855  -6.165
   34   HG22  ILE   4          HG22      ILE   4   2.280   9.866  -7.647
   35   HG23  ILE   4          HG23      ILE   4   0.672   9.902  -6.878
   36   HD11  ILE   4           HD1      ILE   4   4.211   7.675  -7.436
   37   HD12  ILE   4           HD2      ILE   4   4.409   9.465  -7.477
   38   HD13  ILE   4           HD3      ILE   4   5.615   8.455  -6.613
   39    H    LEU   5           HN       LEU   5  -0.104   6.912  -5.420
   40    HA   LEU   5           HA       LEU   5  -2.242   8.612  -6.132
   41    HB2  LEU   5           HB1      LEU   5  -3.347   6.659  -7.051
   42    HB3  LEU   5           HB2      LEU   5  -1.635   6.765  -7.529
   43    HG   LEU   5           HG       LEU   5  -1.155   5.036  -5.627
   44   HD11  LEU   5          HD11      LEU   5  -3.351   5.001  -4.436
   45   HD12  LEU   5          HD12      LEU   5  -3.052   3.421  -5.229
   46   HD13  LEU   5          HD13      LEU   5  -4.194   4.592  -5.980
   47   HD21  LEU   5          HD21      LEU   5  -0.981   4.567  -8.062
   48   HD22  LEU   5          HD22      LEU   5  -2.759   4.274  -8.147
   49   HD23  LEU   5          HD23      LEU   5  -1.712   3.166  -7.192
   50    H    ALA   6           HN       ALA   6  -1.606   7.040  -3.100
   51    HA   ALA   6           HA       ALA   6  -4.249   6.817  -2.181
   52    HB1  ALA   6           HB1      ALA   6  -2.248   5.861  -1.005
   53    HB2  ALA   6           HB2      ALA   6  -1.688   7.528  -0.622
   54    HB3  ALA   6           HB3      ALA   6  -3.226   6.903   0.089
   55    H    SER   7           HN       SER   7  -2.052   9.658  -2.250
   56    HA   SER   7           HA       SER   7  -3.965  11.412  -1.038
   57    HB2  SER   7           HB1      SER   7  -1.511  11.946  -1.178
   58    HB3  SER   7           HB2      SER   7  -1.693  12.207  -2.940
   59    HG   SER   7           HG1      SER   7  -1.823  14.117  -1.659
   60    H    LEU   8           HN       LEU   8  -3.290  10.523  -4.445
   61    HA   LEU   8           HA       LEU   8  -5.024  12.383  -5.639
   62    HB2  LEU   8           HB1      LEU   8  -3.154  11.010  -6.735
   63    HB3  LEU   8           HB2      LEU   8  -4.243   9.595  -6.652
   64    HG   LEU   8           HG       LEU   8  -5.919  10.925  -8.077
   65   HD11  LEU   8          HD11      LEU   8  -5.016  12.825  -9.418
   66   HD12  LEU   8          HD12      LEU   8  -3.479  12.781  -8.484
   67   HD13  LEU   8          HD13      LEU   8  -5.023  13.247  -7.669
   68   HD21  LEU   8          HD21      LEU   8  -4.694  10.479 -10.192
   69   HD22  LEU   8          HD22      LEU   8  -4.451   9.140  -9.013
   70   HD23  LEU   8          HD23      LEU   8  -3.142  10.353  -9.289
   71    H    ALA   9           HN       ALA   9  -5.624   8.974  -4.623
   72    HA   ALA   9           HA       ALA   9  -8.337   9.031  -5.531
   73    HB1  ALA   9           HB1      ALA   9  -6.852   7.016  -5.714
   74    HB2  ALA   9           HB2      ALA   9  -6.715   6.966  -3.922
   75    HB3  ALA   9           HB3      ALA   9  -8.308   6.661  -4.715
   76    H    ALA  10           HN       ALA  10  -7.040  10.446  -2.907
   77    HA   ALA  10           HA       ALA  10  -9.562  10.173  -1.356
   78    HB1  ALA  10           HB1      ALA  10  -6.784  11.275  -0.565
   79    HB2  ALA  10           HB2      ALA  10  -8.232  11.194   0.522
   80    HB3  ALA  10           HB3      ALA  10  -7.455   9.686  -0.079
   81    H    LYS  11           HN       LYS  11  -7.520  12.327  -3.293
   82    HA   LYS  11           HA       LYS  11  -9.106  14.677  -2.695
   83    HB2  LYS  11           HB1      LYS  11  -6.588  14.151  -3.971
   84    HB3  LYS  11           HB2      LYS  11  -7.640  14.692  -5.283
   85    HG2  LYS  11           HG1      LYS  11  -6.560  16.656  -4.450
   86    HG3  LYS  11           HG2      LYS  11  -8.271  16.728  -3.969
   87    HD2  LYS  11           HD1      LYS  11  -6.988  17.552  -2.163
   88    HD3  LYS  11           HD2      LYS  11  -7.629  15.992  -1.608
   89    HE2  LYS  11           HE1      LYS  11  -4.773  16.287  -2.799
   90    HE3  LYS  11           HE2      LYS  11  -5.122  16.693  -1.074
   91    HZ1  LYS  11           HZ1      LYS  11  -5.836  14.469  -0.676
   92    HZ2  LYS  11           HZ2      LYS  11  -4.322  14.398  -1.441
   93    HZ3  LYS  11           HZ3      LYS  11  -5.692  14.035  -2.299
   94    H    PHE  12           HN       PHE  12  -8.909  12.343  -5.436
   95    HA   PHE  12           HA       PHE  12 -11.387  13.450  -6.540
   96    HB2  PHE  12           HB1      PHE  12  -9.257  11.482  -7.605
   97    HB3  PHE  12           HB2      PHE  12 -10.774  11.886  -8.495
   98    HD1  PHE  12           HD1      PHE  12  -7.430  13.055  -7.609
   99    HD2  PHE  12           HD2      PHE  12 -11.248  14.213  -9.188
  100    HE1  PHE  12           HE1      PHE  12  -6.409  15.106  -8.578
  101    HE2  PHE  12           HE2      PHE  12 -10.233  16.251 -10.160
  102    HZ   PHE  12           HZ       PHE  12  -7.815  16.699  -9.855
  103    H    GLY  13           HN       GLY  13 -10.745  11.274  -4.195
  104    HA2  GLY  13           HA1      GLY  13 -12.956   9.463  -5.033
  105    HA3  GLY  13           HA2      GLY  13 -11.601   9.024  -3.966
  106    HA   PRO  14           HA       PRO  14 -14.115  11.424  -0.857
  107    HB2  PRO  14           HB1      PRO  14 -16.327  13.001  -1.504
  108    HB3  PRO  14           HB2      PRO  14 -14.633  13.620  -1.588
  109    HG2  PRO  14           HG1      PRO  14 -16.288  12.465  -3.905
  110    HG3  PRO  14           HG2      PRO  14 -15.392  14.039  -3.849
  111    HD2  PRO  14           HD1      PRO  14 -14.254  11.787  -4.954
  112    HD3  PRO  14           HD2      PRO  14 -13.258  12.937  -3.955
  113    H    LYS  15           HN       LYS  15 -15.789  10.016  -3.535
  114    HA   LYS  15           HA       LYS  15 -18.016   8.828  -2.341
  115    HB2  LYS  15           HB1      LYS  15 -17.523   8.956  -4.788
  116    HB3  LYS  15           HB2      LYS  15 -16.084   7.921  -4.566
  117    HG2  LYS  15           HG1      LYS  15 -17.591   5.994  -3.925
  118    HG3  LYS  15           HG2      LYS  15 -19.018   7.044  -4.204
  119    HD2  LYS  15           HD1      LYS  15 -18.300   7.383  -6.584
  120    HD3  LYS  15           HD2      LYS  15 -16.834   6.391  -6.288
  121    HE2  LYS  15           HE1      LYS  15 -18.285   4.367  -5.849
  122    HE3  LYS  15           HE2      LYS  15 -19.758   5.363  -6.183
  123    HZ1  LYS  15           HZ1      LYS  15 -18.894   5.776  -8.412
  124    HZ2  LYS  15           HZ2      LYS  15 -19.052   4.116  -8.126
  125    HZ3  LYS  15           HZ3      LYS  15 -17.523   4.838  -8.095
  126    H    LEU  16           HN       LEU  16 -14.600   7.618  -2.490
  127    HA   LEU  16           HA       LEU  16 -15.256   5.263  -0.928
  128    HB2  LEU  16           HB1      LEU  16 -12.573   6.525  -1.753
  129    HB3  LEU  16           HB2      LEU  16 -12.752   4.945  -0.930
  130    HG   LEU  16           HG       LEU  16 -13.860   5.618  -3.720
  131   HD11  LEU  16          HD11      LEU  16 -11.363   5.597  -3.653
  132   HD12  LEU  16          HD12      LEU  16 -12.005   4.173  -4.557
  133   HD13  LEU  16          HD13      LEU  16 -11.392   3.973  -2.876
  134   HD21  LEU  16          HD21      LEU  16 -15.205   3.822  -2.614
  135   HD22  LEU  16          HD22      LEU  16 -13.689   2.945  -2.179
  136   HD23  LEU  16          HD23      LEU  16 -14.162   3.119  -3.906
  137    H    PHE  17           HN       PHE  17 -13.680   8.426  -0.428
  138    HA   PHE  17           HA       PHE  17 -12.713   7.946   2.093
  139    HB2  PHE  17           HB1      PHE  17 -12.285   9.887   0.333
  140    HB3  PHE  17           HB2      PHE  17 -13.591  10.758   1.213
  141    HD1  PHE  17           HD1      PHE  17 -13.172  11.539   3.511
  142    HD2  PHE  17           HD2      PHE  17 -10.217   9.230   1.417
  143    HE1  PHE  17           HE1      PHE  17 -11.488  12.133   5.229
  144    HE2  PHE  17           HE2      PHE  17  -8.532   9.826   3.133
  145    HZ   PHE  17           HZ       PHE  17  -9.168  11.279   5.041
  146    H2   ABA  18           HN       AGL  18 -15.916   9.387   1.252
  147    HA   ABA  18           HA       AGL  18 -16.763   9.812   3.897
  148    HB3  ABA  18           HB2      AGL  18 -18.274   9.276   1.278
  149    HB2  ABA  18           HB1      AGL  18 -17.806  10.862   1.913
  150    HG3  ABA  18           HG       AGL  18 -20.180   9.127   2.716
  151    H    LEU  19           HN       LEU  19 -17.127   6.882   1.797
  152    HA   LEU  19           HA       LEU  19 -18.729   5.501   3.674
  153    HB2  LEU  19           HB1      LEU  19 -16.992   4.497   1.359
  154    HB3  LEU  19           HB2      LEU  19 -18.136   3.463   2.277
  155    HG   LEU  19           HG       LEU  19 -18.936   5.953   0.663
  156   HD11  LEU  19          HD11      LEU  19 -18.086   4.135  -0.798
  157   HD12  LEU  19          HD12      LEU  19 -19.871   4.331  -0.980
  158   HD13  LEU  19          HD13      LEU  19 -19.208   2.957  -0.012
  159   HD21  LEU  19          HD21      LEU  19 -20.556   5.509   2.506
  160   HD22  LEU  19          HD22      LEU  19 -20.650   3.773   2.025
  161   HD23  LEU  19          HD23      LEU  19 -21.273   5.054   0.921
  162    H    VAL  20           HN       VAL  20 -15.147   5.343   3.134
  163    HA   VAL  20           HA       VAL  20 -14.838   3.396   5.173
  164    HB   VAL  20           HB       VAL  20 -13.254   3.729   3.325
  165   HG11  VAL  20          HG11      VAL  20 -13.104   6.249   3.405
  166   HG12  VAL  20          HG12      VAL  20 -12.212   6.133   4.973
  167   HG13  VAL  20          HG13      VAL  20 -11.493   5.446   3.479
  168   HG21  VAL  20          HG21      VAL  20 -12.059   3.833   6.176
  169   HG22  VAL  20          HG22      VAL  20 -12.728   2.367   5.362
  170   HG23  VAL  20          HG23      VAL  20 -11.261   3.179   4.704
  171    H    THR  21           HN       THR  21 -14.700   6.962   5.308
  172    HA   THR  21           HA       THR  21 -13.851   6.980   8.047
  173    HB   THR  21           HB       THR  21 -15.132   9.320   6.566
  174    HG1  THR  21           HG1      THR  21 -13.469   8.736   5.315
  175   HG21  THR  21          HG21      THR  21 -13.546  10.618   8.058
  176   HG22  THR  21          HG22      THR  21 -13.006   9.082   8.818
  177   HG23  THR  21          HG23      THR  21 -14.699   9.658   9.059
  178    H    LYS  22           HN       LYS  22 -16.918   6.627   6.517
  179    HA   LYS  22           HA       LYS  22 -19.005   6.533   7.131
  180    HB2  LYS  22           HB1      LYS  22 -17.869   5.860   9.869
  181    HB3  LYS  22           HB2      LYS  22 -19.528   5.465   9.333
  182    HG2  LYS  22           HG1      LYS  22 -18.831   3.801   7.810
  183    HG3  LYS  22           HG2      LYS  22 -17.142   4.367   7.737
  184    HD2  LYS  22           HD1      LYS  22 -18.388   3.238  10.300
  185    HD3  LYS  22           HD2      LYS  22 -17.537   2.232   9.074
  186    HE2  LYS  22           HE1      LYS  22 -15.432   3.517   9.363
  187    HE3  LYS  22           HE2      LYS  22 -16.227   4.643  10.529
  188    HZ1  LYS  22           HZ1      LYS  22 -14.967   2.938  11.638
  189    HZ2  LYS  22           HZ2      LYS  22 -15.879   1.710  10.900
  190    HZ3  LYS  22           HZ3      LYS  22 -16.619   2.779  11.993
  191    H    LYS  23           HN       LYS  23 -17.712   9.292   7.739
  192    HA   LYS  23           HA       LYS  23 -20.058  10.265   9.228
  193    HB2  LYS  23           HB1      LYS  23 -18.906  11.424  10.895
  194    HB3  LYS  23           HB2      LYS  23 -18.229   9.779  10.890
  195    HG2  LYS  23           HG1      LYS  23 -16.121  10.580  10.608
  196    HG3  LYS  23           HG2      LYS  23 -16.596  11.497   9.143
  197    HD2  LYS  23           HD1      LYS  23 -17.634  13.257  10.679
  198    HD3  LYS  23           HD2      LYS  23 -16.897  12.405  12.075
  199    HE2  LYS  23           HE1      LYS  23 -14.594  12.862  11.112
  200    HE3  LYS  23           HE2      LYS  23 -15.367  13.678   9.691
  201    HZ1  LYS  23           HZ1      LYS  23 -14.701  15.279  11.357
  202    HZ2  LYS  23           HZ2      LYS  23 -15.623  14.497  12.546
  203    HZ3  LYS  23           HZ3      LYS  23 -16.394  15.235  11.235
  204    H2   ABA  24           HN       AGL  24 -19.341  10.481   6.385
  205    HA   ABA  24           HA       AGL  24 -18.685  13.275   6.030
  206    HB3  ABA  24           HB2      AGL  24 -17.944  11.808   4.286
  207    HB2  ABA  24           HB1      AGL  24 -19.180  12.916   3.627
  208    HG3  ABA  24           HG       AGL  24 -20.860  10.788   4.269
  Start of MODEL    6
    1    H1   PHE   1           HN       PHE   1   0.530  -1.761  -3.799
    2    HA   PHE   1           HA       PHE   1  -0.785   0.465  -2.984
    3    HB2  PHE   1           HB1      PHE   1  -0.314  -1.772  -1.700
    4    HB3  PHE   1           HB2      PHE   1   1.194  -0.983  -1.115
    5    HD1  PHE   1           HD1      PHE   1   1.040   0.578   0.698
    6    HD2  PHE   1           HD2      PHE   1  -2.543  -0.665  -1.314
    7    HE1  PHE   1           HE1      PHE   1  -0.326   1.655   2.466
    8    HE2  PHE   1           HE2      PHE   1  -3.911   0.419   0.443
    9    HZ   PHE   1           HZ       PHE   1  -2.804   1.576   2.338
   10    H    LEU   2           HN       LEU   2   0.546   1.861  -4.582
   11    HA   LEU   2           HA       LEU   2   3.021   2.849  -3.509
   12    HB2  LEU   2           HB1      LEU   2   1.427   3.565  -6.014
   13    HB3  LEU   2           HB2      LEU   2   2.902   4.450  -5.516
   14    HG   LEU   2           HG       LEU   2   4.179   2.251  -5.558
   15   HD11  LEU   2          HD11      LEU   2   3.291   0.464  -7.110
   16   HD12  LEU   2          HD12      LEU   2   1.680   1.258  -7.079
   17   HD13  LEU   2          HD13      LEU   2   2.379   0.549  -5.572
   18   HD21  LEU   2          HD21      LEU   2   2.942   3.269  -8.193
   19   HD22  LEU   2          HD22      LEU   2   4.479   2.352  -8.031
   20   HD23  LEU   2          HD23      LEU   2   4.344   4.011  -7.331
   21    HA   PRO   3           HA       PRO   3   0.837   5.802  -1.113
   22    HB2  PRO   3           HB1      PRO   3   2.861   7.625  -0.347
   23    HB3  PRO   3           HB2      PRO   3   2.704   5.944   0.285
   24    HG2  PRO   3           HG1      PRO   3   4.452   6.886  -2.059
   25    HG3  PRO   3           HG2      PRO   3   4.951   5.893  -0.630
   26    HD2  PRO   3           HD1      PRO   3   4.304   4.681  -3.000
   27    HD3  PRO   3           HD2      PRO   3   3.683   3.969  -1.447
   28    H    ILE   4           HN       ILE   4   2.597   7.117  -3.841
   29    HA   ILE   4           HA       ILE   4   1.615   9.632  -4.179
   30    HB   ILE   4           HB       ILE   4   1.964   7.545  -6.381
   31   HG12  ILE   4          HG11      ILE   4   4.008   9.435  -5.069
   32   HG13  ILE   4          HG12      ILE   4   3.986   7.648  -4.893
   33   HG21  ILE   4          HG21      ILE   4   0.765   9.675  -7.088
   34   HG22  ILE   4          HG22      ILE   4   2.098  10.643  -6.362
   35   HG23  ILE   4          HG23      ILE   4   2.401   9.585  -7.790
   36   HD11  ILE   4           HD1      ILE   4   4.529   9.215  -7.493
   37   HD12  ILE   4           HD2      ILE   4   5.685   8.234  -6.545
   38   HD13  ILE   4           HD3      ILE   4   4.317   7.430  -7.411
   39    H    LEU   5           HN       LEU   5  -0.013   6.721  -5.593
   40    HA   LEU   5           HA       LEU   5  -2.272   8.191  -6.368
   41    HB2  LEU   5           HB1      LEU   5  -3.277   6.113  -7.055
   42    HB3  LEU   5           HB2      LEU   5  -1.560   6.189  -7.521
   43    HG   LEU   5           HG       LEU   5  -1.220   4.820  -5.218
   44   HD11  LEU   5          HD11      LEU   5  -4.045   3.969  -6.142
   45   HD12  LEU   5          HD12      LEU   5  -3.666   4.771  -4.574
   46   HD13  LEU   5          HD13      LEU   5  -3.028   3.123  -4.921
   47   HD21  LEU   5          HD21      LEU   5  -2.181   3.579  -7.869
   48   HD22  LEU   5          HD22      LEU   5  -1.240   2.737  -6.586
   49   HD23  LEU   5          HD23      LEU   5  -0.497   4.105  -7.495
   50    H    ALA   6           HN       ALA   6  -1.623   6.500  -3.279
   51    HA   ALA   6           HA       ALA   6  -4.243   6.639  -2.274
   52    HB1  ALA   6           HB1      ALA   6  -2.383   5.307  -1.245
   53    HB2  ALA   6           HB2      ALA   6  -1.559   6.841  -0.782
   54    HB3  ALA   6           HB3      ALA   6  -3.148   6.407  -0.047
   55    H    SER   7           HN       SER   7  -1.628   9.085  -2.204
   56    HA   SER   7           HA       SER   7  -3.097  11.057  -0.798
   57    HB2  SER   7           HB1      SER   7  -0.622  11.164  -1.178
   58    HB3  SER   7           HB2      SER   7  -0.915  11.504  -2.913
   59    HG   SER   7           HG1      SER   7  -0.545  13.357  -1.543
   60    H    LEU   8           HN       LEU   8  -2.910  10.372  -4.322
   61    HA   LEU   8           HA       LEU   8  -4.544  12.518  -5.156
   62    HB2  LEU   8           HB1      LEU   8  -2.954  11.099  -6.567
   63    HB3  LEU   8           HB2      LEU   8  -4.122   9.757  -6.439
   64    HG   LEU   8           HG       LEU   8  -5.858  11.253  -7.589
   65   HD11  LEU   8          HD11      LEU   8  -3.388  13.038  -8.104
   66   HD12  LEU   8          HD12      LEU   8  -4.844  13.503  -7.136
   67   HD13  LEU   8          HD13      LEU   8  -4.993  13.196  -8.902
   68   HD21  LEU   8          HD21      LEU   8  -4.896  10.911  -9.847
   69   HD22  LEU   8          HD22      LEU   8  -4.588   9.483  -8.798
   70   HD23  LEU   8          HD23      LEU   8  -3.260  10.660  -9.135
   71    H    ALA   9           HN       ALA   9  -5.350   9.117  -4.372
   72    HA   ALA   9           HA       ALA   9  -7.994   9.063  -5.053
   73    HB1  ALA   9           HB1      ALA   9  -8.087   7.039  -3.578
   74    HB2  ALA   9           HB2      ALA   9  -6.573   7.066  -4.547
   75    HB3  ALA   9           HB3      ALA   9  -6.526   7.547  -2.815
   76    H    ALA  10           HN       ALA  10  -6.614  10.263  -1.989
   77    HA   ALA  10           HA       ALA  10  -9.022  10.541  -0.604
   78    HB1  ALA  10           HB1      ALA  10  -6.500  12.317  -0.533
   79    HB2  ALA  10           HB2      ALA  10  -7.779  12.240   0.747
   80    HB3  ALA  10           HB3      ALA  10  -6.747  10.801   0.402
   81    H    LYS  11           HN       LYS  11  -7.698  12.663  -3.171
   82    HA   LYS  11           HA       LYS  11  -9.748  14.680  -2.679
   83    HB2  LYS  11           HB1      LYS  11  -7.613  14.521  -4.896
   84    HB3  LYS  11           HB2      LYS  11  -8.789  15.840  -4.652
   85    HG2  LYS  11           HG1      LYS  11  -6.940  16.784  -3.678
   86    HG3  LYS  11           HG2      LYS  11  -7.766  16.100  -2.251
   87    HD2  LYS  11           HD1      LYS  11  -6.243  14.038  -2.503
   88    HD3  LYS  11           HD2      LYS  11  -5.392  14.892  -3.826
   89    HE2  LYS  11           HE1      LYS  11  -4.670  16.681  -2.170
   90    HE3  LYS  11           HE2      LYS  11  -5.589  15.818  -0.872
   91    HZ1  LYS  11           HZ1      LYS  11  -3.117  14.975  -2.276
   92    HZ2  LYS  11           HZ2      LYS  11  -4.164  13.817  -1.713
   93    HZ3  LYS  11           HZ3      LYS  11  -3.490  14.918  -0.623
   94    H    PHE  12           HN       PHE  12  -8.918  12.253  -5.211
   95    HA   PHE  12           HA       PHE  12 -11.287  13.070  -6.713
   96    HB2  PHE  12           HB1      PHE  12  -8.885  11.235  -7.297
   97    HB3  PHE  12           HB2      PHE  12 -10.301  11.349  -8.410
   98    HD1  PHE  12           HD1      PHE  12  -7.395  13.199  -7.044
   99    HD2  PHE  12           HD2      PHE  12 -10.842  13.369  -9.597
  100    HE1  PHE  12           HE1      PHE  12  -6.530  15.285  -8.078
  101    HE2  PHE  12           HE2      PHE  12  -9.976  15.441 -10.635
  102    HZ   PHE  12           HZ       PHE  12  -7.822  16.402  -9.878
  103    H    GLY  13           HN       GLY  13 -10.800  10.848  -4.246
  104    HA2  GLY  13           HA1      GLY  13 -13.120   9.252  -5.182
  105    HA3  GLY  13           HA2      GLY  13 -11.773   8.661  -4.157
  106    HA   PRO  14           HA       PRO  14 -13.995  11.341  -1.016
  107    HB2  PRO  14           HB1      PRO  14 -16.215  12.923  -1.637
  108    HB3  PRO  14           HB2      PRO  14 -14.519  13.489  -1.890
  109    HG2  PRO  14           HG1      PRO  14 -16.349  12.198  -3.996
  110    HG3  PRO  14           HG2      PRO  14 -15.421  13.751  -4.111
  111    HD2  PRO  14           HD1      PRO  14 -14.368  11.416  -5.121
  112    HD3  PRO  14           HD2      PRO  14 -13.321  12.611  -4.242
  113    H    LYS  15           HN       LYS  15 -15.851   9.784  -3.458
  114    HA   LYS  15           HA       LYS  15 -18.027   8.715  -2.080
  115    HB2  LYS  15           HB1      LYS  15 -17.626   8.641  -4.547
  116    HB3  LYS  15           HB2      LYS  15 -16.180   7.626  -4.296
  117    HG2  LYS  15           HG1      LYS  15 -17.656   5.749  -3.469
  118    HG3  LYS  15           HG2      LYS  15 -19.096   6.773  -3.775
  119    HD2  LYS  15           HD1      LYS  15 -18.451   6.954  -6.193
  120    HD3  LYS  15           HD2      LYS  15 -16.976   5.983  -5.878
  121    HE2  LYS  15           HE1      LYS  15 -18.410   3.992  -5.265
  122    HE3  LYS  15           HE2      LYS  15 -19.893   4.967  -5.614
  123    HZ1  LYS  15           HZ1      LYS  15 -19.101   5.237  -7.892
  124    HZ2  LYS  15           HZ2      LYS  15 -19.248   3.598  -7.496
  125    HZ3  LYS  15           HZ3      LYS  15 -17.721   4.321  -7.561
  126    H    LEU  16           HN       LEU  16 -14.630   7.459  -2.276
  127    HA   LEU  16           HA       LEU  16 -15.217   5.225  -0.541
  128    HB2  LEU  16           HB1      LEU  16 -12.566   6.447  -1.507
  129    HB3  LEU  16           HB2      LEU  16 -12.714   4.918  -0.586
  130    HG   LEU  16           HG       LEU  16 -13.897   5.424  -3.378
  131   HD11  LEU  16          HD11      LEU  16 -12.071   3.918  -4.174
  132   HD12  LEU  16          HD12      LEU  16 -11.412   3.822  -2.501
  133   HD13  LEU  16          HD13      LEU  16 -11.402   5.395  -3.381
  134   HD21  LEU  16          HD21      LEU  16 -13.694   2.844  -1.687
  135   HD22  LEU  16          HD22      LEU  16 -14.206   2.918  -3.409
  136   HD23  LEU  16          HD23      LEU  16 -15.217   3.700  -2.138
  137    H    PHE  17           HN       PHE  17 -13.666   8.415  -0.267
  138    HA   PHE  17           HA       PHE  17 -12.667   8.135   2.280
  139    HB2  PHE  17           HB1      PHE  17 -12.272   9.919   0.342
  140    HB3  PHE  17           HB2      PHE  17 -13.578  10.846   1.159
  141    HD1  PHE  17           HD1      PHE  17 -12.772  12.442   2.681
  142    HD2  PHE  17           HD2      PHE  17 -10.436   8.907   1.982
  143    HE1  PHE  17           HE1      PHE  17 -10.966  13.343   4.129
  144    HE2  PHE  17           HE2      PHE  17  -8.652   9.787   3.439
  145    HZ   PHE  17           HZ       PHE  17  -8.919  11.998   4.538
  146    H2   ABA  18           HN       AGL  18 -15.895   9.392   1.349
  147    HA   ABA  18           HA       AGL  18 -16.825   9.978   3.967
  148    HB3  ABA  18           HB2      AGL  18 -18.157   9.209   1.299
  149    HB2  ABA  18           HB1      AGL  18 -17.930  10.835   1.949
  150    HG3  ABA  18           HG       AGL  18 -20.101   8.788   2.628
  151    H    LEU  19           HN       LEU  19 -17.032   6.921   2.010
  152    HA   LEU  19           HA       LEU  19 -18.613   5.633   3.983
  153    HB2  LEU  19           HB1      LEU  19 -17.005   4.559   1.618
  154    HB3  LEU  19           HB2      LEU  19 -18.121   3.550   2.604
  155    HG   LEU  19           HG       LEU  19 -18.970   6.030   0.999
  156   HD11  LEU  19          HD11      LEU  19 -19.296   3.030   0.357
  157   HD12  LEU  19          HD12      LEU  19 -18.202   4.193  -0.489
  158   HD13  LEU  19          HD13      LEU  19 -19.992   4.402  -0.586
  159   HD21  LEU  19          HD21      LEU  19 -21.297   5.150   1.373
  160   HD22  LEU  19          HD22      LEU  19 -20.502   5.607   2.920
  161   HD23  LEU  19          HD23      LEU  19 -20.631   3.870   2.453
  162    H    VAL  20           HN       VAL  20 -15.069   5.383   3.335
  163    HA   VAL  20           HA       VAL  20 -14.736   3.227   5.086
  164    HB   VAL  20           HB       VAL  20 -13.201   3.828   3.267
  165   HG11  VAL  20          HG11      VAL  20 -12.056   5.958   5.196
  166   HG12  VAL  20          HG12      VAL  20 -11.449   5.516   3.567
  167   HG13  VAL  20          HG13      VAL  20 -13.046   6.330   3.734
  168   HG21  VAL  20          HG21      VAL  20 -12.607   2.189   5.070
  169   HG22  VAL  20          HG22      VAL  20 -11.160   3.082   4.475
  170   HG23  VAL  20          HG23      VAL  20 -11.896   3.519   6.057
  171    H    THR  21           HN       THR  21 -14.392   6.722   5.782
  172    HA   THR  21           HA       THR  21 -13.847   6.087   8.593
  173    HB   THR  21           HB       THR  21 -14.120   8.811   7.274
  174    HG1  THR  21           HG1      THR  21 -11.819   7.225   7.642
  175   HG21  THR  21          HG21      THR  21 -12.484   9.466   9.147
  176   HG22  THR  21          HG22      THR  21 -12.638   7.809   9.828
  177   HG23  THR  21          HG23      THR  21 -14.059   8.911   9.811
  178    H    LYS  22           HN       LYS  22 -16.579   6.368   6.704
  179    HA   LYS  22           HA       LYS  22 -18.728   6.482   7.024
  180    HB2  LYS  22           HB1      LYS  22 -18.033   5.973   9.953
  181    HB3  LYS  22           HB2      LYS  22 -19.623   5.666   9.205
  182    HG2  LYS  22           HG1      LYS  22 -18.875   3.832   7.926
  183    HG3  LYS  22           HG2      LYS  22 -17.149   4.247   8.055
  184    HD2  LYS  22           HD1      LYS  22 -18.846   3.437  10.479
  185    HD3  LYS  22           HD2      LYS  22 -17.920   2.270   9.469
  186    HE2  LYS  22           HE1      LYS  22 -15.771   3.444   9.992
  187    HE3  LYS  22           HE2      LYS  22 -16.653   4.665  10.987
  188    HZ1  LYS  22           HZ1      LYS  22 -17.383   2.895  12.440
  189    HZ2  LYS  22           HZ2      LYS  22 -15.693   2.934  12.339
  190    HZ3  LYS  22           HZ3      LYS  22 -16.563   1.735  11.514
  191    H    LYS  23           HN       LYS  23 -17.216   9.161   7.622
  192    HA   LYS  23           HA       LYS  23 -19.160  10.314   9.528
  193    HB2  LYS  23           HB1      LYS  23 -17.577  11.631  10.406
  194    HB3  LYS  23           HB2      LYS  23 -16.607  10.208   9.954
  195    HG2  LYS  23           HG1      LYS  23 -16.774  12.929   8.483
  196    HG3  LYS  23           HG2      LYS  23 -15.469  12.353   9.556
  197    HD2  LYS  23           HD1      LYS  23 -14.870  10.565   7.955
  198    HD3  LYS  23           HD2      LYS  23 -16.243  10.997   6.886
  199    HE2  LYS  23           HE1      LYS  23 -14.127  11.891   5.945
  200    HE3  LYS  23           HE2      LYS  23 -15.249  13.232   6.415
  201    HZ1  LYS  23           HZ1      LYS  23 -14.028  13.420   8.499
  202    HZ2  LYS  23           HZ2      LYS  23 -13.020  13.685   7.160
  203    HZ3  LYS  23           HZ3      LYS  23 -12.943  12.216   8.010
  204    H2   ABA  24           HN       AGL  24 -19.183  10.304   6.255
  205    HA   ABA  24           HA       AGL  24 -19.389  13.177   5.881
  206    HB3  ABA  24           HB2      AGL  24 -18.412  11.911   4.062
  207    HB2  ABA  24           HB1      AGL  24 -19.918  12.723   3.558
  208    HG3  ABA  24           HG       AGL  24 -21.123  10.371   4.067
  Start of MODEL    7
    1    H1   PHE   1           HN       PHE   1  -1.542   0.151  -3.516
    2    HA   PHE   1           HA       PHE   1   0.126  -0.017  -1.619
    3    HB2  PHE   1           HB1      PHE   1  -0.188  -1.598  -3.827
    4    HB3  PHE   1           HB2      PHE   1   1.448  -0.976  -4.227
    5    HD1  PHE   1           HD1      PHE   1   3.360  -1.643  -2.817
    6    HD2  PHE   1           HD2      PHE   1  -0.621  -2.913  -1.836
    7    HE1  PHE   1           HE1      PHE   1   4.284  -3.315  -1.237
    8    HE2  PHE   1           HE2      PHE   1   0.295  -4.580  -0.252
    9    HZ   PHE   1           HZ       PHE   1   2.749  -4.785   0.052
   10    H    LEU   2           HN       LEU   2   0.394   2.419  -3.803
   11    HA   LEU   2           HA       LEU   2   3.165   3.093  -3.027
   12    HB2  LEU   2           HB1      LEU   2   1.688   3.937  -5.588
   13    HB3  LEU   2           HB2      LEU   2   3.304   4.514  -5.064
   14    HG   LEU   2           HG       LEU   2   3.885   1.900  -5.032
   15   HD11  LEU   2          HD11      LEU   2   2.813   0.697  -6.951
   16   HD12  LEU   2          HD12      LEU   2   1.663   2.061  -7.178
   17   HD13  LEU   2          HD13      LEU   2   1.599   1.065  -5.677
   18   HD21  LEU   2          HD21      LEU   2   4.753   2.151  -7.357
   19   HD22  LEU   2          HD22      LEU   2   5.034   3.648  -6.392
   20   HD23  LEU   2          HD23      LEU   2   3.699   3.587  -7.608
   21    HA   PRO   3           HA       PRO   3   0.932   6.095  -0.792
   22    HB2  PRO   3           HB1      PRO   3   2.886   8.026  -0.118
   23    HB3  PRO   3           HB2      PRO   3   2.806   6.368   0.584
   24    HG2  PRO   3           HG1      PRO   3   4.499   7.283  -1.806
   25    HG3  PRO   3           HG2      PRO   3   5.040   6.359  -0.342
   26    HD2  PRO   3           HD1      PRO   3   4.424   5.037  -2.666
   27    HD3  PRO   3           HD2      PRO   3   3.855   4.364  -1.072
   28    H    ILE   4           HN       ILE   4   2.638   7.364  -3.558
   29    HA   ILE   4           HA       ILE   4   1.541   9.806  -4.027
   30    HB   ILE   4           HB       ILE   4   1.970   7.655  -6.139
   31   HG12  ILE   4          HG11      ILE   4   3.935   9.673  -4.886
   32   HG13  ILE   4          HG12      ILE   4   3.980   7.895  -4.655
   33   HG21  ILE   4          HG21      ILE   4   0.692   9.709  -6.925
   34   HG22  ILE   4          HG22      ILE   4   1.988  10.758  -6.241
   35   HG23  ILE   4          HG23      ILE   4   2.333   9.663  -7.625
   36   HD11  ILE   4           HD1      ILE   4   4.475   9.395  -7.302
   37   HD12  ILE   4           HD2      ILE   4   5.666   8.486  -6.314
   38   HD13  ILE   4           HD3      ILE   4   4.336   7.604  -7.158
   39    H    LEU   5           HN       LEU   5  -0.001   6.770  -5.279
   40    HA   LEU   5           HA       LEU   5  -2.261   8.161  -6.182
   41    HB2  LEU   5           HB1      LEU   5  -3.188   5.998  -6.786
   42    HB3  LEU   5           HB2      LEU   5  -1.471   6.137  -7.235
   43    HG   LEU   5           HG       LEU   5  -1.087   4.896  -4.871
   44   HD11  LEU   5          HD11      LEU   5  -2.811   3.131  -4.492
   45   HD12  LEU   5          HD12      LEU   5  -3.866   3.872  -5.749
   46   HD13  LEU   5          HD13      LEU   5  -3.520   4.762  -4.220
   47   HD21  LEU   5          HD21      LEU   5  -0.319   4.102  -7.107
   48   HD22  LEU   5          HD22      LEU   5  -1.972   3.471  -7.455
   49   HD23  LEU   5          HD23      LEU   5  -0.995   2.750  -6.125
   50    H    ALA   6           HN       ALA   6  -1.611   6.801  -2.979
   51    HA   ALA   6           HA       ALA   6  -4.279   6.808  -2.060
   52    HB1  ALA   6           HB1      ALA   6  -2.384   5.699  -0.851
   53    HB2  ALA   6           HB2      ALA   6  -1.662   7.314  -0.514
   54    HB3  ALA   6           HB3      ALA   6  -3.250   6.864   0.211
   55    H    SER   7           HN       SER   7  -1.826   9.396  -2.201
   56    HA   SER   7           HA       SER   7  -3.385  11.415  -0.962
   57    HB2  SER   7           HB1      SER   7  -1.155  11.733  -3.062
   58    HB3  SER   7           HB2      SER   7  -1.847  13.050  -2.051
   59    HG   SER   7           HG1      SER   7  -0.370  10.780  -1.183
   60    H    LEU   8           HN       LEU   8  -3.060  10.442  -4.388
   61    HA   LEU   8           HA       LEU   8  -4.784  12.383  -5.478
   62    HB2  LEU   8           HB1      LEU   8  -3.091  10.888  -6.693
   63    HB3  LEU   8           HB2      LEU   8  -4.220   9.524  -6.458
   64    HG   LEU   8           HG       LEU   8  -5.964  10.863  -7.790
   65   HD11  LEU   8          HD11      LEU   8  -4.965  13.163  -7.548
   66   HD12  LEU   8          HD12      LEU   8  -5.109  12.681  -9.276
   67   HD13  LEU   8          HD13      LEU   8  -3.506  12.616  -8.463
   68   HD21  LEU   8          HD21      LEU   8  -3.321  10.153  -9.210
   69   HD22  LEU   8          HD22      LEU   8  -4.939  10.302  -9.984
   70   HD23  LEU   8          HD23      LEU   8  -4.639   8.996  -8.780
   71    H    ALA   9           HN       ALA   9  -5.454   9.035  -4.340
   72    HA   ALA   9           HA       ALA   9  -8.164   8.931  -4.864
   73    HB1  ALA   9           HB1      ALA   9  -6.559   7.622  -2.584
   74    HB2  ALA   9           HB2      ALA   9  -8.169   7.069  -3.187
   75    HB3  ALA   9           HB3      ALA   9  -6.720   6.973  -4.253
   76    H    ALA  10           HN       ALA  10  -6.482  10.404  -2.077
   77    HA   ALA  10           HA       ALA  10  -8.954  11.016  -0.731
   78    HB1  ALA  10           HB1      ALA  10  -6.793  10.563   0.460
   79    HB2  ALA  10           HB2      ALA  10  -6.079  12.024  -0.300
   80    HB3  ALA  10           HB3      ALA  10  -7.450  12.187   0.874
   81    H    LYS  11           HN       LYS  11  -8.053  12.228  -3.596
   82    HA   LYS  11           HA       LYS  11  -9.536  14.727  -2.996
   83    HB2  LYS  11           HB1      LYS  11  -7.261  14.264  -5.013
   84    HB3  LYS  11           HB2      LYS  11  -8.542  15.465  -5.338
   85    HG2  LYS  11           HG1      LYS  11  -6.817  16.751  -4.445
   86    HG3  LYS  11           HG2      LYS  11  -8.047  16.605  -3.164
   87    HD2  LYS  11           HD1      LYS  11  -6.323  14.437  -2.591
   88    HD3  LYS  11           HD2      LYS  11  -5.194  15.562  -3.356
   89    HE2  LYS  11           HE1      LYS  11  -5.189  15.790  -0.873
   90    HE3  LYS  11           HE2      LYS  11  -5.787  17.326  -1.625
   91    HZ1  LYS  11           HZ1      LYS  11  -7.618  15.158  -0.740
   92    HZ2  LYS  11           HZ2      LYS  11  -7.994  16.743  -1.111
   93    HZ3  LYS  11           HZ3      LYS  11  -7.118  16.392   0.308
   94    H    PHE  12           HN       PHE  12  -8.873  12.171  -5.488
   95    HA   PHE  12           HA       PHE  12 -11.370  12.928  -6.789
   96    HB2  PHE  12           HB1      PHE  12  -9.022  11.086  -7.550
   97    HB3  PHE  12           HB2      PHE  12 -10.501  11.274  -8.568
   98    HD1  PHE  12           HD1      PHE  12  -7.411  12.921  -7.419
   99    HD2  PHE  12           HD2      PHE  12 -11.091  13.415  -9.575
  100    HE1  PHE  12           HE1      PHE  12  -6.529  15.000  -8.451
  101    HE2  PHE  12           HE2      PHE  12 -10.211  15.485 -10.608
  102    HZ   PHE  12           HZ       PHE  12  -7.932  16.280 -10.048
  103    H    GLY  13           HN       GLY  13 -10.671  10.736  -4.329
  104    HA2  GLY  13           HA1      GLY  13 -12.897   8.970  -5.173
  105    HA3  GLY  13           HA2      GLY  13 -11.561   8.575  -4.053
  106    HA   PRO  14           HA       PRO  14 -14.019  11.185  -1.095
  107    HB2  PRO  14           HB1      PRO  14 -16.252  12.715  -1.794
  108    HB3  PRO  14           HB2      PRO  14 -14.562  13.317  -1.987
  109    HG2  PRO  14           HG1      PRO  14 -16.295  11.978  -4.142
  110    HG3  PRO  14           HG2      PRO  14 -15.397  13.548  -4.247
  111    HD2  PRO  14           HD1      PRO  14 -14.282  11.219  -5.203
  112    HD3  PRO  14           HD2      PRO  14 -13.268  12.440  -4.316
  113    H    LYS  15           HN       LYS  15 -15.813   9.566  -3.577
  114    HA   LYS  15           HA       LYS  15 -18.011   8.556  -2.170
  115    HB2  LYS  15           HB1      LYS  15 -17.570   8.447  -4.662
  116    HB3  LYS  15           HB2      LYS  15 -16.241   7.287  -4.358
  117    HG2  LYS  15           HG1      LYS  15 -18.010   5.699  -3.340
  118    HG3  LYS  15           HG2      LYS  15 -19.262   6.816  -3.947
  119    HD2  LYS  15           HD1      LYS  15 -17.108   5.349  -5.614
  120    HD3  LYS  15           HD2      LYS  15 -18.815   4.834  -5.432
  121    HE2  LYS  15           HE1      LYS  15 -19.594   6.921  -6.609
  122    HE3  LYS  15           HE2      LYS  15 -17.878   7.455  -6.807
  123    HZ1  LYS  15           HZ1      LYS  15 -18.712   6.366  -8.782
  124    HZ2  LYS  15           HZ2      LYS  15 -19.064   4.953  -7.923
  125    HZ3  LYS  15           HZ3      LYS  15 -17.460   5.458  -8.103
  126    H    LEU  16           HN       LEU  16 -14.659   7.196  -2.443
  127    HA   LEU  16           HA       LEU  16 -15.237   4.989  -0.687
  128    HB2  LEU  16           HB1      LEU  16 -12.589   6.209  -1.674
  129    HB3  LEU  16           HB2      LEU  16 -12.731   4.674  -0.762
  130    HG   LEU  16           HG       LEU  16 -13.947   5.190  -3.541
  131   HD11  LEU  16          HD11      LEU  16 -12.122   3.697  -4.363
  132   HD12  LEU  16          HD12      LEU  16 -11.442   3.599  -2.700
  133   HD13  LEU  16          HD13      LEU  16 -11.448   5.174  -3.576
  134   HD21  LEU  16          HD21      LEU  16 -14.246   2.685  -3.575
  135   HD22  LEU  16          HD22      LEU  16 -15.241   3.456  -2.287
  136   HD23  LEU  16          HD23      LEU  16 -13.707   2.608  -1.862
  137    H    PHE  17           HN       PHE  17 -13.677   8.175  -0.404
  138    HA   PHE  17           HA       PHE  17 -12.641   7.880   2.130
  139    HB2  PHE  17           HB1      PHE  17 -12.279   9.704   0.259
  140    HB3  PHE  17           HB2      PHE  17 -13.662  10.567   1.015
  141    HD1  PHE  17           HD1      PHE  17 -13.389  11.541   3.271
  142    HD2  PHE  17           HD2      PHE  17 -10.181   9.375   1.406
  143    HE1  PHE  17           HE1      PHE  17 -11.801  12.447   4.946
  144    HE2  PHE  17           HE2      PHE  17  -8.594  10.284   3.077
  145    HZ   PHE  17           HZ       PHE  17  -9.404  11.819   4.849
  146    H2   ABA  18           HN       AGL  18 -15.895   9.203   1.240
  147    HA   ABA  18           HA       AGL  18 -16.715   9.687   3.886
  148    HB3  ABA  18           HB2      AGL  18 -18.293   9.045   1.331
  149    HB2  ABA  18           HB1      AGL  18 -17.827  10.659   1.894
  150    HG3  ABA  18           HG       AGL  18 -20.144   8.926   2.845
  151    H    LEU  19           HN       LEU  19 -17.091   6.695   1.864
  152    HA   LEU  19           HA       LEU  19 -18.654   5.366   3.791
  153    HB2  LEU  19           HB1      LEU  19 -16.931   4.323   1.488
  154    HB3  LEU  19           HB2      LEU  19 -18.028   3.281   2.453
  155    HG   LEU  19           HG       LEU  19 -18.951   5.720   0.830
  156   HD11  LEU  19          HD11      LEU  19 -19.096   2.714   0.156
  157   HD12  LEU  19          HD12      LEU  19 -18.043   3.941  -0.649
  158   HD13  LEU  19          HD13      LEU  19 -19.838   4.054  -0.798
  159   HD21  LEU  19          HD21      LEU  19 -20.514   5.201   2.702
  160   HD22  LEU  19          HD22      LEU  19 -20.538   3.463   2.217
  161   HD23  LEU  19          HD23      LEU  19 -21.238   4.716   1.129
  162    H    VAL  20           HN       VAL  20 -15.059   5.170   3.276
  163    HA   VAL  20           HA       VAL  20 -14.798   3.279   5.374
  164    HB   VAL  20           HB       VAL  20 -13.154   3.548   3.585
  165   HG11  VAL  20          HG11      VAL  20 -11.427   5.289   3.677
  166   HG12  VAL  20          HG12      VAL  20 -13.035   6.086   3.544
  167   HG13  VAL  20          HG13      VAL  20 -12.164   6.043   5.127
  168   HG21  VAL  20          HG21      VAL  20 -12.669   2.309   5.714
  169   HG22  VAL  20          HG22      VAL  20 -11.196   3.098   5.045
  170   HG23  VAL  20          HG23      VAL  20 -12.034   3.826   6.458
  171    H    THR  21           HN       THR  21 -14.514   6.845   5.397
  172    HA   THR  21           HA       THR  21 -13.802   7.022   8.112
  173    HB   THR  21           HB       THR  21 -15.257   9.260   6.662
  174    HG1  THR  21           HG1      THR  21 -13.576   8.787   5.354
  175   HG21  THR  21          HG21      THR  21 -12.976   9.160   8.769
  176   HG22  THR  21          HG22      THR  21 -14.692   9.420   9.219
  177   HG23  THR  21          HG23      THR  21 -13.825  10.629   8.187
  178    H    LYS  22           HN       LYS  22 -16.980   6.930   6.533
  179    HA   LYS  22           HA       LYS  22 -19.050   6.885   7.158
  180    HB2  LYS  22           HB1      LYS  22 -18.141   6.041   9.938
  181    HB3  LYS  22           HB2      LYS  22 -19.745   5.743   9.221
  182    HG2  LYS  22           HG1      LYS  22 -18.942   4.090   7.704
  183    HG3  LYS  22           HG2      LYS  22 -17.248   4.578   7.839
  184    HD2  LYS  22           HD1      LYS  22 -18.888   3.112   9.979
  185    HD3  LYS  22           HD2      LYS  22 -17.575   2.463   8.959
  186    HE2  LYS  22           HE1      LYS  22 -17.363   4.394  11.345
  187    HE3  LYS  22           HE2      LYS  22 -16.574   2.791  11.103
  188    HZ1  LYS  22           HZ1      LYS  22 -15.424   4.018   9.123
  189    HZ2  LYS  22           HZ2      LYS  22 -14.908   4.346  10.705
  190    HZ3  LYS  22           HZ3      LYS  22 -15.932   5.409   9.889
  191    H    LYS  23           HN       LYS  23 -17.344   9.342   7.886
  192    HA   LYS  23           HA       LYS  23 -19.256  10.652   9.746
  193    HB2  LYS  23           HB1      LYS  23 -17.161  10.263  10.811
  194    HB3  LYS  23           HB2      LYS  23 -16.227  10.768   9.379
  195    HG2  LYS  23           HG1      LYS  23 -17.951  12.873  10.691
  196    HG3  LYS  23           HG2      LYS  23 -16.519  12.297  11.607
  197    HD2  LYS  23           HD1      LYS  23 -14.951  13.009   9.956
  198    HD3  LYS  23           HD2      LYS  23 -16.175  13.002   8.663
  199    HE2  LYS  23           HE1      LYS  23 -15.514  15.325   9.182
  200    HE3  LYS  23           HE2      LYS  23 -17.269  15.032   9.497
  201    HZ1  LYS  23           HZ1      LYS  23 -15.112  15.014  11.559
  202    HZ2  LYS  23           HZ2      LYS  23 -16.768  14.769  11.823
  203    HZ3  LYS  23           HZ3      LYS  23 -16.214  16.275  11.277
  204    H2   ABA  24           HN       AGL  24 -18.936  10.472   6.507
  205    HA   ABA  24           HA       AGL  24 -18.542  13.253   5.897
  206    HB3  ABA  24           HB2      AGL  24 -17.854  11.648   4.251
  207    HB2  ABA  24           HB1      AGL  24 -19.117  12.718   3.592
  208    HG3  ABA  24           HG       AGL  24 -20.768  10.616   4.399
  Start of MODEL    8
    1    H1   PHE   1           HN       PHE   1   2.255  -1.395  -2.224
    2    HA   PHE   1           HA       PHE   1   0.553  -0.536  -4.227
    3    HB2  PHE   1           HB1      PHE   1  -1.008   0.988  -2.934
    4    HB3  PHE   1           HB2      PHE   1  -1.293  -0.759  -2.639
    5    HD1  PHE   1           HD1      PHE   1  -0.729  -1.798  -0.523
    6    HD2  PHE   1           HD2      PHE   1  -0.065   2.398  -1.142
    7    HE1  PHE   1           HE1      PHE   1  -0.469  -1.483   1.920
    8    HE2  PHE   1           HE2      PHE   1   0.204   2.715   1.303
    9    HZ   PHE   1           HZ       PHE   1   0.007   0.772   2.834
   10    H    LEU   2           HN       LEU   2   0.454   2.120  -4.070
   11    HA   LEU   2           HA       LEU   2   3.231   2.887  -3.462
   12    HB2  LEU   2           HB1      LEU   2   1.531   3.852  -5.829
   13    HB3  LEU   2           HB2      LEU   2   3.169   4.429  -5.379
   14    HG   LEU   2           HG       LEU   2   3.764   1.802  -5.599
   15   HD11  LEU   2          HD11      LEU   2   1.480   2.193  -7.648
   16   HD12  LEU   2          HD12      LEU   2   1.442   1.054  -6.249
   17   HD13  LEU   2          HD13      LEU   2   2.620   0.805  -7.583
   18   HD21  LEU   2          HD21      LEU   2   3.490   3.749  -7.976
   19   HD22  LEU   2          HD22      LEU   2   4.548   2.297  -7.913
   20   HD23  LEU   2          HD23      LEU   2   4.870   3.686  -6.810
   21    HA   PRO   3           HA       PRO   3   1.030   5.726  -0.946
   22    HB2  PRO   3           HB1      PRO   3   3.002   7.577  -0.193
   23    HB3  PRO   3           HB2      PRO   3   2.996   5.858   0.343
   24    HG2  PRO   3           HG1      PRO   3   4.526   7.038  -2.045
   25    HG3  PRO   3           HG2      PRO   3   5.176   6.010  -0.699
   26    HD2  PRO   3           HD1      PRO   3   4.437   4.879  -3.098
   27    HD3  PRO   3           HD2      PRO   3   4.024   4.047  -1.532
   28    H    ILE   4           HN       ILE   4   2.720   7.170  -3.665
   29    HA   ILE   4           HA       ILE   4   1.702   9.651  -3.925
   30    HB   ILE   4           HB       ILE   4   1.931   7.681  -6.231
   31   HG12  ILE   4          HG11      ILE   4   4.016   7.486  -4.988
   32   HG13  ILE   4          HG12      ILE   4   4.261   8.445  -6.469
   33   HG21  ILE   4          HG21      ILE   4   2.517   9.793  -7.498
   34   HG22  ILE   4          HG22      ILE   4   0.846   9.843  -6.847
   35   HG23  ILE   4          HG23      ILE   4   2.158  10.763  -6.025
   36   HD11  ILE   4           HD1      ILE   4   5.533   9.445  -4.598
   37   HD12  ILE   4           HD2      ILE   4   4.245  10.580  -5.120
   38   HD13  ILE   4           HD3      ILE   4   4.043   9.619  -3.608
   39    H    LEU   5           HN       LEU   5   0.015   6.806  -5.365
   40    HA   LEU   5           HA       LEU   5  -2.205   8.306  -6.174
   41    HB2  LEU   5           HB1      LEU   5  -3.171   6.111  -6.825
   42    HB3  LEU   5           HB2      LEU   5  -1.498   6.338  -7.376
   43    HG   LEU   5           HG       LEU   5  -0.843   4.987  -5.178
   44   HD11  LEU   5          HD11      LEU   5  -3.129   4.792  -4.162
   45   HD12  LEU   5          HD12      LEU   5  -2.491   3.182  -4.637
   46   HD13  LEU   5          HD13      LEU   5  -3.727   3.993  -5.665
   47   HD21  LEU   5          HD21      LEU   5  -2.083   3.629  -7.649
   48   HD22  LEU   5          HD22      LEU   5  -0.945   2.874  -6.477
   49   HD23  LEU   5          HD23      LEU   5  -0.393   4.244  -7.509
   50    H    ALA   6           HN       ALA   6  -1.467   7.229  -2.986
   51    HA   ALA   6           HA       ALA   6  -4.170   6.784  -2.159
   52    HB1  ALA   6           HB1      ALA   6  -1.657   7.449  -0.504
   53    HB2  ALA   6           HB2      ALA   6  -3.245   6.900   0.153
   54    HB3  ALA   6           HB3      ALA   6  -2.282   5.808  -0.899
   55    H    SER   7           HN       SER   7  -1.994   9.625  -2.232
   56    HA   SER   7           HA       SER   7  -3.922  11.407  -1.101
   57    HB2  SER   7           HB1      SER   7  -1.464  11.925  -1.184
   58    HB3  SER   7           HB2      SER   7  -1.609  12.179  -2.953
   59    HG   SER   7           HG1      SER   7  -1.779  14.095  -1.654
   60    H    LEU   8           HN       LEU   8  -3.186  10.479  -4.502
   61    HA   LEU   8           HA       LEU   8  -4.991  12.252  -5.712
   62    HB2  LEU   8           HB1      LEU   8  -3.157  10.785  -6.797
   63    HB3  LEU   8           HB2      LEU   8  -4.285   9.408  -6.630
   64    HG   LEU   8           HG       LEU   8  -5.962  10.733  -8.057
   65   HD11  LEU   8          HD11      LEU   8  -4.994  13.048  -7.745
   66   HD12  LEU   8          HD12      LEU   8  -5.062  12.572  -9.477
   67   HD13  LEU   8          HD13      LEU   8  -3.494  12.517  -8.600
   68   HD21  LEU   8          HD21      LEU   8  -4.539   8.887  -8.961
   69   HD22  LEU   8          HD22      LEU   8  -3.224  10.073  -9.314
   70   HD23  LEU   8          HD23      LEU   8  -4.796  10.184 -10.184
   71    H    ALA   9           HN       ALA   9  -5.528   8.837  -4.619
   72    HA   ALA   9           HA       ALA   9  -8.241   8.699  -5.160
   73    HB1  ALA   9           HB1      ALA   9  -6.573   7.345  -2.950
   74    HB2  ALA   9           HB2      ALA   9  -8.181   6.774  -3.548
   75    HB3  ALA   9           HB3      ALA   9  -6.747   6.757  -4.637
   76    H    ALA  10           HN       ALA  10  -6.614   9.885  -2.158
   77    HA   ALA  10           HA       ALA  10  -9.049  10.437  -0.827
   78    HB1  ALA  10           HB1      ALA  10  -6.885  10.079   0.340
   79    HB2  ALA  10           HB2      ALA  10  -6.219  11.570  -0.407
   80    HB3  ALA  10           HB3      ALA  10  -7.586  11.677   0.778
   81    H    LYS  11           HN       LYS  11  -7.653  12.093  -3.484
   82    HA   LYS  11           HA       LYS  11  -9.082  14.593  -2.845
   83    HB2  LYS  11           HB1      LYS  11  -6.611  14.030  -4.189
   84    HB3  LYS  11           HB2      LYS  11  -7.734  14.458  -5.485
   85    HG2  LYS  11           HG1      LYS  11  -6.628  16.484  -4.814
   86    HG3  LYS  11           HG2      LYS  11  -8.338  16.576  -4.325
   87    HD2  LYS  11           HD1      LYS  11  -7.033  17.545  -2.600
   88    HD3  LYS  11           HD2      LYS  11  -7.677  16.035  -1.923
   89    HE2  LYS  11           HE1      LYS  11  -4.826  16.216  -3.145
   90    HE3  LYS  11           HE2      LYS  11  -5.167  16.762  -1.457
   91    HZ1  LYS  11           HZ1      LYS  11  -4.391  14.463  -1.564
   92    HZ2  LYS  11           HZ2      LYS  11  -5.688  14.016  -2.496
   93    HZ3  LYS  11           HZ3      LYS  11  -5.969  14.562  -0.930
   94    H    PHE  12           HN       PHE  12  -8.914  12.140  -5.510
   95    HA   PHE  12           HA       PHE  12 -11.362  13.294  -6.620
   96    HB2  PHE  12           HB1      PHE  12  -9.273  11.284  -7.673
   97    HB3  PHE  12           HB2      PHE  12 -10.771  11.719  -8.581
   98    HD1  PHE  12           HD1      PHE  12  -7.422  12.826  -7.651
   99    HD2  PHE  12           HD2      PHE  12 -11.203  14.057  -9.267
  100    HE1  PHE  12           HE1      PHE  12  -6.360  14.875  -8.585
  101    HE2  PHE  12           HE2      PHE  12 -10.147  16.092 -10.200
  102    HZ   PHE  12           HZ       PHE  12  -7.729  16.505  -9.854
  103    H    GLY  13           HN       GLY  13 -10.757  10.848  -4.402
  104    HA2  GLY  13           HA1      GLY  13 -13.186   9.368  -5.239
  105    HA3  GLY  13           HA2      GLY  13 -11.828   8.757  -4.245
  106    HA   PRO  14           HA       PRO  14 -13.961  11.402  -1.031
  107    HB2  PRO  14           HB1      PRO  14 -16.200  12.993  -1.567
  108    HB3  PRO  14           HB2      PRO  14 -14.510  13.562  -1.847
  109    HG2  PRO  14           HG1      PRO  14 -16.391  12.300  -3.923
  110    HG3  PRO  14           HG2      PRO  14 -15.473  13.857  -4.049
  111    HD2  PRO  14           HD1      PRO  14 -14.453  11.540  -5.116
  112    HD3  PRO  14           HD2      PRO  14 -13.367  12.711  -4.247
  113    H    LYS  15           HN       LYS  15 -15.843   9.793  -3.418
  114    HA   LYS  15           HA       LYS  15 -18.015   8.783  -1.988
  115    HB2  LYS  15           HB1      LYS  15 -17.552   8.599  -4.475
  116    HB3  LYS  15           HB2      LYS  15 -16.205   7.475  -4.121
  117    HG2  LYS  15           HG1      LYS  15 -17.951   5.884  -3.074
  118    HG3  LYS  15           HG2      LYS  15 -19.221   6.957  -3.724
  119    HD2  LYS  15           HD1      LYS  15 -17.024   5.484  -5.330
  120    HD3  LYS  15           HD2      LYS  15 -18.722   4.942  -5.146
  121    HE2  LYS  15           HE1      LYS  15 -19.531   6.978  -6.392
  122    HE3  LYS  15           HE2      LYS  15 -17.822   7.534  -6.596
  123    HZ1  LYS  15           HZ1      LYS  15 -18.623   6.371  -8.541
  124    HZ2  LYS  15           HZ2      LYS  15 -18.961   4.980  -7.641
  125    HZ3  LYS  15           HZ3      LYS  15 -17.363   5.503  -7.826
  126    H    LEU  16           HN       LEU  16 -14.630   7.488  -2.189
  127    HA   LEU  16           HA       LEU  16 -15.195   5.330  -0.365
  128    HB2  LEU  16           HB1      LEU  16 -12.551   6.526  -1.382
  129    HB3  LEU  16           HB2      LEU  16 -12.696   5.019  -0.424
  130    HG   LEU  16           HG       LEU  16 -13.887   5.457  -3.226
  131   HD11  LEU  16          HD11      LEU  16 -11.389   5.410  -3.231
  132   HD12  LEU  16          HD12      LEU  16 -12.074   3.920  -3.984
  133   HD13  LEU  16          HD13      LEU  16 -11.414   3.860  -2.311
  134   HD21  LEU  16          HD21      LEU  16 -13.701   2.922  -1.470
  135   HD22  LEU  16          HD22      LEU  16 -14.213   2.956  -3.193
  136   HD23  LEU  16          HD23      LEU  16 -15.219   3.775  -1.943
  137    H    PHE  17           HN       PHE  17 -13.673   8.546  -0.161
  138    HA   PHE  17           HA       PHE  17 -12.683   8.293   2.412
  139    HB2  PHE  17           HB1      PHE  17 -12.136  10.036   0.553
  140    HB3  PHE  17           HB2      PHE  17 -13.589  10.938   1.107
  141    HD1  PHE  17           HD1      PHE  17 -13.022  12.728   2.497
  142    HD2  PHE  17           HD2      PHE  17 -10.582   9.194   2.647
  143    HE1  PHE  17           HE1      PHE  17 -11.523  13.828   4.136
  144    HE2  PHE  17           HE2      PHE  17  -9.102  10.282   4.296
  145    HZ   PHE  17           HZ       PHE  17  -9.561  12.603   5.039
  146    H2   ABA  18           HN       AGL  18 -15.907   9.520   1.411
  147    HA   ABA  18           HA       AGL  18 -16.868  10.116   4.000
  148    HB3  ABA  18           HB2      AGL  18 -18.122   9.299   1.327
  149    HB2  ABA  18           HB1      AGL  18 -17.998  10.933   2.001
  150    HG3  ABA  18           HG       AGL  18 -20.054   8.745   2.619
  151    H    LEU  19           HN       LEU  19 -17.153   7.043   2.071
  152    HA   LEU  19           HA       LEU  19 -18.637   5.751   4.070
  153    HB2  LEU  19           HB1      LEU  19 -17.027   4.662   1.703
  154    HB3  LEU  19           HB2      LEU  19 -18.141   3.663   2.695
  155    HG   LEU  19           HG       LEU  19 -19.000   6.143   1.095
  156   HD11  LEU  19          HD11      LEU  19 -19.998   4.519  -0.509
  157   HD12  LEU  19          HD12      LEU  19 -19.290   3.147   0.425
  158   HD13  LEU  19          HD13      LEU  19 -18.207   4.329  -0.405
  159   HD21  LEU  19          HD21      LEU  19 -20.649   3.956   2.523
  160   HD22  LEU  19          HD22      LEU  19 -21.320   5.245   1.459
  161   HD23  LEU  19          HD23      LEU  19 -20.531   5.687   3.013
  162    H    VAL  20           HN       VAL  20 -15.090   5.489   3.395
  163    HA   VAL  20           HA       VAL  20 -14.772   3.366   5.185
  164    HB   VAL  20           HB       VAL  20 -13.262   3.926   3.319
  165   HG11  VAL  20          HG11      VAL  20 -11.427   5.518   3.638
  166   HG12  VAL  20          HG12      VAL  20 -12.983   6.407   3.839
  167   HG13  VAL  20          HG13      VAL  20 -11.998   5.951   5.286
  168   HG21  VAL  20          HG21      VAL  20 -11.248   3.056   4.497
  169   HG22  VAL  20          HG22      VAL  20 -11.962   3.484   6.092
  170   HG23  VAL  20          HG23      VAL  20 -12.735   2.220   5.069
  171    H    THR  21           HN       THR  21 -14.493   6.879   5.850
  172    HA   THR  21           HA       THR  21 -13.890   6.236   8.665
  173    HB   THR  21           HB       THR  21 -14.540   9.065   7.919
  174    HG1  THR  21           HG1      THR  21 -12.130   7.793   7.197
  175   HG21  THR  21          HG21      THR  21 -12.420   7.696   9.711
  176   HG22  THR  21          HG22      THR  21 -13.887   8.595  10.231
  177   HG23  THR  21          HG23      THR  21 -12.541   9.475   9.445
  178    H    LYS  22           HN       LYS  22 -16.655   6.235   6.822
  179    HA   LYS  22           HA       LYS  22 -18.800   6.412   7.143
  180    HB2  LYS  22           HB1      LYS  22 -18.062   6.058  10.075
  181    HB3  LYS  22           HB2      LYS  22 -19.678   5.731   9.382
  182    HG2  LYS  22           HG1      LYS  22 -18.904   3.867   8.083
  183    HG3  LYS  22           HG2      LYS  22 -17.180   4.250   8.318
  184    HD2  LYS  22           HD1      LYS  22 -19.043   3.475  10.629
  185    HD3  LYS  22           HD2      LYS  22 -18.065   2.301   9.680
  186    HE2  LYS  22           HE1      LYS  22 -15.944   3.452  10.344
  187    HE3  LYS  22           HE2      LYS  22 -16.877   4.669  11.298
  188    HZ1  LYS  22           HZ1      LYS  22 -17.713   2.882  12.675
  189    HZ2  LYS  22           HZ2      LYS  22 -16.020   2.902  12.683
  190    HZ3  LYS  22           HZ3      LYS  22 -16.849   1.728  11.783
  191    H    LYS  23           HN       LYS  23 -17.351   9.073   7.382
  192    HA   LYS  23           HA       LYS  23 -18.959  10.416   9.449
  193    HB2  LYS  23           HB1      LYS  23 -17.163  11.729   9.952
  194    HB3  LYS  23           HB2      LYS  23 -16.407  10.177   9.538
  195    HG2  LYS  23           HG1      LYS  23 -16.390  12.856   8.058
  196    HG3  LYS  23           HG2      LYS  23 -15.022  11.898   8.673
  197    HD2  LYS  23           HD1      LYS  23 -15.832  10.147   6.714
  198    HD3  LYS  23           HD2      LYS  23 -16.669  11.603   6.125
  199    HE2  LYS  23           HE1      LYS  23 -14.587  11.494   4.920
  200    HE3  LYS  23           HE2      LYS  23 -14.439  12.856   6.106
  201    HZ1  LYS  23           HZ1      LYS  23 -13.302  10.104   6.400
  202    HZ2  LYS  23           HZ2      LYS  23 -13.238  11.294   7.570
  203    HZ3  LYS  23           HZ3      LYS  23 -12.453  11.512   6.076
  204    H2   ABA  24           HN       AGL  24 -19.500  10.255   6.232
  205    HA   ABA  24           HA       AGL  24 -19.702  13.155   5.834
  206    HB3  ABA  24           HB2      AGL  24 -18.703  12.039   3.991
  207    HB2  ABA  24           HB1      AGL  24 -20.287  12.712   3.511
  208    HG3  ABA  24           HG       AGL  24 -21.258  10.252   3.963
  Start of MODEL    9
    1    H1   PHE   1           HN       PHE   1  -0.940  -0.348  -3.310
    2    HA   PHE   1           HA       PHE   1  -0.495   0.807  -0.834
    3    HB2  PHE   1           HB1      PHE   1   1.437  -0.806  -0.612
    4    HB3  PHE   1           HB2      PHE   1  -0.080  -1.585  -1.177
    5    HD1  PHE   1           HD1      PHE   1  -0.260  -2.514  -3.417
    6    HD2  PHE   1           HD2      PHE   1   3.311  -0.477  -2.173
    7    HE1  PHE   1           HE1      PHE   1   0.939  -3.417  -5.385
    8    HE2  PHE   1           HE2      PHE   1   4.517  -1.394  -4.137
    9    HZ   PHE   1           HZ       PHE   1   3.327  -2.860  -5.747
   10    H    LEU   2           HN       LEU   2   0.368   2.061  -3.730
   11    HA   LEU   2           HA       LEU   2   2.925   3.157  -2.913
   12    HB2  LEU   2           HB1      LEU   2   1.285   3.681  -5.446
   13    HB3  LEU   2           HB2      LEU   2   2.884   4.398  -5.073
   14    HG   LEU   2           HG       LEU   2   3.716   1.916  -4.829
   15   HD11  LEU   2          HD11      LEU   2   1.229   1.497  -6.620
   16   HD12  LEU   2          HD12      LEU   2   1.546   0.697  -5.030
   17   HD13  LEU   2          HD13      LEU   2   2.592   0.339  -6.439
   18   HD21  LEU   2          HD21      LEU   2   4.269   1.886  -7.257
   19   HD22  LEU   2          HD22      LEU   2   4.462   3.542  -6.572
   20   HD23  LEU   2          HD23      LEU   2   3.014   3.135  -7.574
   21    HA   PRO   3           HA       PRO   3   0.627   6.286  -0.846
   22    HB2  PRO   3           HB1      PRO   3   2.618   8.209  -0.206
   23    HB3  PRO   3           HB2      PRO   3   2.400   6.624   0.623
   24    HG2  PRO   3           HG1      PRO   3   4.305   7.254  -1.696
   25    HG3  PRO   3           HG2      PRO   3   4.679   6.409  -0.135
   26    HD2  PRO   3           HD1      PRO   3   4.163   4.956  -2.398
   27    HD3  PRO   3           HD2      PRO   3   3.416   4.436  -0.819
   28    H    ILE   4           HN       ILE   4   2.465   7.303  -3.616
   29    HA   ILE   4           HA       ILE   4   1.379   9.695  -4.366
   30    HB   ILE   4           HB       ILE   4   1.867   7.321  -6.211
   31   HG12  ILE   4          HG11      ILE   4   3.821   9.461  -5.165
   32   HG13  ILE   4          HG12      ILE   4   3.842   7.730  -4.700
   33   HG21  ILE   4          HG21      ILE   4   2.278   9.152  -7.900
   34   HG22  ILE   4          HG22      ILE   4   0.622   9.286  -7.247
   35   HG23  ILE   4          HG23      ILE   4   1.912  10.393  -6.651
   36   HD11  ILE   4           HD1      ILE   4   4.397   8.853  -7.515
   37   HD12  ILE   4           HD2      ILE   4   5.562   8.074  -6.393
   38   HD13  ILE   4           HD3      ILE   4   4.233   7.101  -7.132
   39    H    LEU   5           HN       LEU   5  -0.089   6.516  -5.354
   40    HA   LEU   5           HA       LEU   5  -2.395   7.792  -6.337
   41    HB2  LEU   5           HB1      LEU   5  -3.277   5.645  -6.872
   42    HB3  LEU   5           HB2      LEU   5  -1.542   5.708  -7.262
   43    HG   LEU   5           HG       LEU   5  -1.290   4.544  -4.840
   44   HD11  LEU   5          HD11      LEU   5  -3.757   4.544  -4.274
   45   HD12  LEU   5          HD12      LEU   5  -3.110   2.875  -4.454
   46   HD13  LEU   5          HD13      LEU   5  -4.083   3.608  -5.779
   47   HD21  LEU   5          HD21      LEU   5  -1.272   2.345  -6.010
   48   HD22  LEU   5          HD22      LEU   5  -0.499   3.623  -7.023
   49   HD23  LEU   5          HD23      LEU   5  -2.171   3.063  -7.395
   50    H    ALA   6           HN       ALA   6  -1.696   6.420  -3.126
   51    HA   ALA   6           HA       ALA   6  -4.314   6.575  -2.121
   52    HB1  ALA   6           HB1      ALA   6  -3.203   6.591   0.116
   53    HB2  ALA   6           HB2      ALA   6  -2.410   5.402  -0.978
   54    HB3  ALA   6           HB3      ALA   6  -1.629   6.995  -0.666
   55    H    SER   7           HN       SER   7  -1.753   9.068  -2.248
   56    HA   SER   7           HA       SER   7  -3.178  11.142  -0.995
   57    HB2  SER   7           HB1      SER   7  -1.023  11.372  -3.187
   58    HB3  SER   7           HB2      SER   7  -1.561  12.689  -2.085
   59    HG   SER   7           HG1      SER   7  -0.224  10.272  -1.405
   60    H    LEU   8           HN       LEU   8  -2.968  10.227  -4.450
   61    HA   LEU   8           HA       LEU   8  -4.641  12.237  -5.470
   62    HB2  LEU   8           HB1      LEU   8  -3.026  10.709  -6.734
   63    HB3  LEU   8           HB2      LEU   8  -4.179   9.370  -6.483
   64    HG   LEU   8           HG       LEU   8  -5.920  10.762  -7.774
   65   HD11  LEU   8          HD11      LEU   8  -5.040  12.560  -9.274
   66   HD12  LEU   8          HD12      LEU   8  -3.425  12.445  -8.490
   67   HD13  LEU   8          HD13      LEU   8  -4.850  13.029  -7.547
   68   HD21  LEU   8          HD21      LEU   8  -4.957  10.168  -9.988
   69   HD22  LEU   8          HD22      LEU   8  -4.671   8.857  -8.787
   70   HD23  LEU   8          HD23      LEU   8  -3.328   9.972  -9.247
   71    H    ALA   9           HN       ALA   9  -5.423   8.902  -4.360
   72    HA   ALA   9           HA       ALA   9  -8.139   8.906  -4.859
   73    HB1  ALA   9           HB1      ALA   9  -6.781   6.877  -4.291
   74    HB2  ALA   9           HB2      ALA   9  -6.573   7.495  -2.615
   75    HB3  ALA   9           HB3      ALA   9  -8.213   7.025  -3.207
   76    H    ALA  10           HN       ALA  10  -6.387  10.255  -2.050
   77    HA   ALA  10           HA       ALA  10  -8.820  10.926  -0.675
   78    HB1  ALA  10           HB1      ALA  10  -7.265  12.086   0.899
   79    HB2  ALA  10           HB2      ALA  10  -6.656  10.445   0.489
   80    HB3  ALA  10           HB3      ALA  10  -5.919  11.881  -0.296
   81    H    LYS  11           HN       LYS  11  -7.912  12.157  -3.555
   82    HA   LYS  11           HA       LYS  11  -9.386  14.652  -2.926
   83    HB2  LYS  11           HB1      LYS  11  -7.133  14.192  -4.966
   84    HB3  LYS  11           HB2      LYS  11  -8.390  15.431  -5.240
   85    HG2  LYS  11           HG1      LYS  11  -6.638  16.660  -4.337
   86    HG3  LYS  11           HG2      LYS  11  -7.828  16.480  -3.021
   87    HD2  LYS  11           HD1      LYS  11  -6.116  14.268  -2.597
   88    HD3  LYS  11           HD2      LYS  11  -4.998  15.407  -3.358
   89    HE2  LYS  11           HE1      LYS  11  -4.902  15.520  -0.865
   90    HE3  LYS  11           HE2      LYS  11  -5.474  17.101  -1.537
   91    HZ1  LYS  11           HZ1      LYS  11  -7.674  16.584  -0.954
   92    HZ2  LYS  11           HZ2      LYS  11  -6.767  16.110   0.407
   93    HZ3  LYS  11           HZ3      LYS  11  -7.366  14.969  -0.691
   94    H    PHE  12           HN       PHE  12  -8.768  12.104  -5.439
   95    HA   PHE  12           HA       PHE  12 -11.247  12.911  -6.742
   96    HB2  PHE  12           HB1      PHE  12  -8.945  11.003  -7.482
   97    HB3  PHE  12           HB2      PHE  12 -10.428  11.193  -8.495
   98    HD1  PHE  12           HD1      PHE  12  -7.319  12.841  -7.376
   99    HD2  PHE  12           HD2      PHE  12 -10.982  13.297  -9.568
  100    HE1  PHE  12           HE1      PHE  12  -6.417  14.883  -8.460
  101    HE2  PHE  12           HE2      PHE  12 -10.082  15.330 -10.655
  102    HZ   PHE  12           HZ       PHE  12  -7.800  16.125 -10.103
  103    H    GLY  13           HN       GLY  13 -10.589  10.706  -4.272
  104    HA2  GLY  13           HA1      GLY  13 -12.875   9.006  -5.090
  105    HA3  GLY  13           HA2      GLY  13 -11.534   8.571  -3.991
  106    HA   PRO  14           HA       PRO  14 -13.903  11.193  -0.974
  107    HB2  PRO  14           HB1      PRO  14 -16.086  12.808  -1.632
  108    HB3  PRO  14           HB2      PRO  14 -14.379  13.360  -1.819
  109    HG2  PRO  14           HG1      PRO  14 -16.161  12.125  -3.994
  110    HG3  PRO  14           HG2      PRO  14 -15.212  13.667  -4.070
  111    HD2  PRO  14           HD1      PRO  14 -14.180  11.321  -5.081
  112    HD3  PRO  14           HD2      PRO  14 -13.122  12.491  -4.177
  113    H    LYS  15           HN       LYS  15 -15.753   9.695  -3.490
  114    HA   LYS  15           HA       LYS  15 -17.967   8.701  -2.095
  115    HB2  LYS  15           HB1      LYS  15 -17.546   8.663  -4.592
  116    HB3  LYS  15           HB2      LYS  15 -16.247   7.457  -4.337
  117    HG2  LYS  15           HG1      LYS  15 -18.047   5.882  -3.363
  118    HG3  LYS  15           HG2      LYS  15 -19.277   7.055  -3.906
  119    HD2  LYS  15           HD1      LYS  15 -17.191   5.596  -5.664
  120    HD3  LYS  15           HD2      LYS  15 -18.910   5.126  -5.478
  121    HE2  LYS  15           HE1      LYS  15 -19.644   7.278  -6.557
  122    HE3  LYS  15           HE2      LYS  15 -17.917   7.777  -6.753
  123    HZ1  LYS  15           HZ1      LYS  15 -18.802   6.798  -8.762
  124    HZ2  LYS  15           HZ2      LYS  15 -19.178   5.356  -7.962
  125    HZ3  LYS  15           HZ3      LYS  15 -17.564   5.832  -8.141
  126    H    LEU  16           HN       LEU  16 -14.650   7.281  -2.432
  127    HA   LEU  16           HA       LEU  16 -15.249   5.027  -0.750
  128    HB2  LEU  16           HB1      LEU  16 -12.583   6.244  -1.691
  129    HB3  LEU  16           HB2      LEU  16 -12.758   4.667  -0.861
  130    HG   LEU  16           HG       LEU  16 -13.958   5.358  -3.610
  131   HD11  LEU  16          HD11      LEU  16 -12.166   3.875  -4.512
  132   HD12  LEU  16          HD12      LEU  16 -11.492   3.669  -2.856
  133   HD13  LEU  16          HD13      LEU  16 -11.461   5.289  -3.642
  134   HD21  LEU  16          HD21      LEU  16 -13.780   2.683  -2.075
  135   HD22  LEU  16          HD22      LEU  16 -14.315   2.868  -3.782
  136   HD23  LEU  16          HD23      LEU  16 -15.293   3.589  -2.452
  137    H    PHE  17           HN       PHE  17 -13.650   8.185  -0.361
  138    HA   PHE  17           HA       PHE  17 -12.627   7.788   2.166
  139    HB2  PHE  17           HB1      PHE  17 -12.255   9.685   0.354
  140    HB3  PHE  17           HB2      PHE  17 -13.598  10.542   1.189
  141    HD1  PHE  17           HD1      PHE  17 -13.292  11.173   3.622
  142    HD2  PHE  17           HD2      PHE  17 -10.106   9.440   1.317
  143    HE1  PHE  17           HE1      PHE  17 -11.657  11.906   5.329
  144    HE2  PHE  17           HE2      PHE  17  -8.468  10.190   3.018
  145    HZ   PHE  17           HZ       PHE  17  -9.245  11.421   5.028
  146    H2   ABA  18           HN       AGL  18 -15.859   9.166   1.302
  147    HA   ABA  18           HA       AGL  18 -16.704   9.577   3.947
  148    HB3  ABA  18           HB2      AGL  18 -18.275   9.011   1.374
  149    HB2  ABA  18           HB1      AGL  18 -17.791  10.607   1.973
  150    HG3  ABA  18           HG       AGL  18 -20.106   8.852   2.920
  151    H    LEU  19           HN       LEU  19 -17.011   6.616   1.868
  152    HA   LEU  19           HA       LEU  19 -18.593   5.209   3.720
  153    HB2  LEU  19           HB1      LEU  19 -16.695   4.266   1.509
  154    HB3  LEU  19           HB2      LEU  19 -17.764   3.151   2.421
  155    HG   LEU  19           HG       LEU  19 -18.795   5.530   0.778
  156   HD11  LEU  19          HD11      LEU  19 -18.617   2.543   0.029
  157   HD12  LEU  19          HD12      LEU  19 -17.646   3.886  -0.690
  158   HD13  LEU  19          HD13      LEU  19 -19.433   3.832  -0.935
  159   HD21  LEU  19          HD21      LEU  19 -20.235   3.093   2.013
  160   HD22  LEU  19          HD22      LEU  19 -20.992   4.320   0.933
  161   HD23  LEU  19          HD23      LEU  19 -20.390   4.805   2.558
  162    H    VAL  20           HN       VAL  20 -14.969   5.137   3.341
  163    HA   VAL  20           HA       VAL  20 -14.731   3.303   5.497
  164    HB   VAL  20           HB       VAL  20 -12.359   3.735   5.540
  165   HG11  VAL  20          HG11      VAL  20 -13.512   3.520   2.676
  166   HG12  VAL  20          HG12      VAL  20 -11.908   2.939   3.241
  167   HG13  VAL  20          HG13      VAL  20 -13.410   2.170   3.870
  168   HG21  VAL  20          HG21      VAL  20 -11.338   5.307   3.852
  169   HG22  VAL  20          HG22      VAL  20 -12.968   5.967   3.479
  170   HG23  VAL  20          HG23      VAL  20 -12.243   6.193   5.121
  171    H    THR  21           HN       THR  21 -14.544   6.870   5.432
  172    HA   THR  21           HA       THR  21 -13.853   7.171   8.143
  173    HB   THR  21           HB       THR  21 -15.386   9.221   6.481
  174    HG1  THR  21           HG1      THR  21 -13.558   8.802   5.391
  175   HG21  THR  21          HG21      THR  21 -13.391   9.441   8.853
  176   HG22  THR  21          HG22      THR  21 -15.166   9.691   9.015
  177   HG23  THR  21          HG23      THR  21 -14.176  10.815   8.007
  178    H    LYS  22           HN       LYS  22 -17.034   7.002   6.551
  179    HA   LYS  22           HA       LYS  22 -19.102   7.004   7.166
  180    HB2  LYS  22           HB1      LYS  22 -18.221   6.085   9.930
  181    HB3  LYS  22           HB2      LYS  22 -19.819   5.814   9.188
  182    HG2  LYS  22           HG1      LYS  22 -19.009   4.183   7.650
  183    HG3  LYS  22           HG2      LYS  22 -17.313   4.657   7.815
  184    HD2  LYS  22           HD1      LYS  22 -18.989   3.163   9.904
  185    HD3  LYS  22           HD2      LYS  22 -17.661   2.529   8.895
  186    HE2  LYS  22           HE1      LYS  22 -17.490   4.414  11.320
  187    HE3  LYS  22           HE2      LYS  22 -16.694   2.816  11.060
  188    HZ1  LYS  22           HZ1      LYS  22 -15.499   4.082   9.135
  189    HZ2  LYS  22           HZ2      LYS  22 -15.024   4.386  10.731
  190    HZ3  LYS  22           HZ3      LYS  22 -16.028   5.459   9.905
  191    H    LYS  23           HN       LYS  23 -17.379   9.469   7.973
  192    HA   LYS  23           HA       LYS  23 -19.411  10.688   9.766
  193    HB2  LYS  23           HB1      LYS  23 -17.067  10.330  10.673
  194    HB3  LYS  23           HB2      LYS  23 -16.462  11.484   9.453
  195    HG2  LYS  23           HG1      LYS  23 -18.743  12.565  11.032
  196    HG3  LYS  23           HG2      LYS  23 -17.399  12.024  12.091
  197    HD2  LYS  23           HD1      LYS  23 -15.804  13.529  10.991
  198    HD3  LYS  23           HD2      LYS  23 -16.927  13.812   9.637
  199    HE2  LYS  23           HE1      LYS  23 -16.860  15.820  11.057
  200    HE3  LYS  23           HE2      LYS  23 -18.505  15.071  11.074
  201    HZ1  LYS  23           HZ1      LYS  23 -17.943  14.025  13.174
  202    HZ2  LYS  23           HZ2      LYS  23 -17.790  15.710  13.279
  203    HZ3  LYS  23           HZ3      LYS  23 -16.405  14.738  13.168
  204    H2   ABA  24           HN       AGL  24 -18.978  10.516   6.560
  205    HA   ABA  24           HA       AGL  24 -18.621  13.281   5.902
  206    HB3  ABA  24           HB2      AGL  24 -17.866  11.627   4.319
  207    HB2  ABA  24           HB1      AGL  24 -19.121  12.662   3.591
  208    HG3  ABA  24           HG       AGL  24 -20.758  10.553   4.445
  Start of MODEL   10
    1    H1   PHE   1           HN       PHE   1  -1.358   0.251  -2.874
    2    HA   PHE   1           HA       PHE   1   0.505   0.168  -1.155
    3    HB2  PHE   1           HB1      PHE   1   1.145  -0.766  -4.036
    4    HB3  PHE   1           HB2      PHE   1   1.867  -1.437  -2.522
    5    HD1  PHE   1           HD1      PHE   1   0.015  -2.211  -0.714
    6    HD2  PHE   1           HD2      PHE   1  -0.624  -1.944  -4.956
    7    HE1  PHE   1           HE1      PHE   1  -1.881  -3.792  -0.530
    8    HE2  PHE   1           HE2      PHE   1  -2.513  -3.531  -4.772
    9    HZ   PHE   1           HZ       PHE   1  -3.150  -4.452  -2.558
   10    H    LEU   2           HN       LEU   2   0.582   2.480  -3.597
   11    HA   LEU   2           HA       LEU   2   3.390   3.204  -2.987
   12    HB2  LEU   2           HB1      LEU   2   1.739   3.784  -5.513
   13    HB3  LEU   2           HB2      LEU   2   3.287   4.599  -5.131
   14    HG   LEU   2           HG       LEU   2   3.747   2.967  -6.747
   15   HD11  LEU   2          HD11      LEU   2   5.454   3.168  -4.915
   16   HD12  LEU   2          HD12      LEU   2   5.450   1.540  -5.694
   17   HD13  LEU   2          HD13      LEU   2   4.697   1.754  -4.078
   18   HD21  LEU   2          HD21      LEU   2   2.542   0.727  -5.028
   19   HD22  LEU   2          HD22      LEU   2   3.267   0.589  -6.665
   20   HD23  LEU   2          HD23      LEU   2   1.729   1.502  -6.444
   21    HA   PRO   3           HA       PRO   3   1.177   6.223  -0.799
   22    HB2  PRO   3           HB1      PRO   3   3.128   8.182  -0.187
   23    HB3  PRO   3           HB2      PRO   3   3.057   6.543   0.560
   24    HG2  PRO   3           HG1      PRO   3   4.729   7.403  -1.866
   25    HG3  PRO   3           HG2      PRO   3   5.283   6.514  -0.386
   26    HD2  PRO   3           HD1      PRO   3   4.653   5.135  -2.674
   27    HD3  PRO   3           HD2      PRO   3   4.089   4.500  -1.063
   28    H    ILE   4           HN       ILE   4   2.859   7.462  -3.592
   29    HA   ILE   4           HA       ILE   4   1.788   9.914  -4.054
   30    HB   ILE   4           HB       ILE   4   2.198   7.754  -6.160
   31   HG12  ILE   4          HG11      ILE   4   4.149   9.813  -4.951
   32   HG13  ILE   4          HG12      ILE   4   4.216   8.041  -4.693
   33   HG21  ILE   4          HG21      ILE   4   0.893   9.776  -6.972
   34   HG22  ILE   4          HG22      ILE   4   2.178  10.855  -6.310
   35   HG23  ILE   4          HG23      ILE   4   2.530   9.741  -7.678
   36   HD11  ILE   4           HD1      ILE   4   5.887   8.627  -6.369
   37   HD12  ILE   4           HD2      ILE   4   4.568   7.718  -7.196
   38   HD13  ILE   4           HD3      ILE   4   4.683   9.507  -7.365
   39    H    LEU   5           HN       LEU   5   0.203   6.898  -5.272
   40    HA   LEU   5           HA       LEU   5  -2.008   8.279  -6.257
   41    HB2  LEU   5           HB1      LEU   5  -2.975   6.130  -6.791
   42    HB3  LEU   5           HB2      LEU   5  -1.237   6.165  -7.171
   43    HG   LEU   5           HG       LEU   5  -1.024   5.046  -4.719
   44   HD11  LEU   5          HD11      LEU   5  -2.849   3.387  -4.335
   45   HD12  LEU   5          HD12      LEU   5  -3.804   4.105  -5.683
   46   HD13  LEU   5          HD13      LEU   5  -3.488   5.061  -4.188
   47   HD21  LEU   5          HD21      LEU   5  -1.854   3.514  -7.262
   48   HD22  LEU   5          HD22      LEU   5  -0.971   2.831  -5.849
   49   HD23  LEU   5          HD23      LEU   5  -0.191   4.093  -6.875
   50    H    ALA   6           HN       ALA   6  -1.462   7.096  -2.962
   51    HA   ALA   6           HA       ALA   6  -4.141   7.097  -2.121
   52    HB1  ALA   6           HB1      ALA   6  -1.579   7.769  -0.546
   53    HB2  ALA   6           HB2      ALA   6  -3.171   7.318   0.172
   54    HB3  ALA   6           HB3      ALA   6  -2.252   6.122  -0.809
   55    H    SER   7           HN       SER   7  -1.794   9.768  -2.355
   56    HA   SER   7           HA       SER   7  -3.449  11.800  -1.265
   57    HB2  SER   7           HB1      SER   7  -0.970  12.008  -1.583
   58    HB3  SER   7           HB2      SER   7  -1.205  12.059  -3.356
   59    HG   SER   7           HG1      SER   7  -0.994  14.097  -2.095
   60    H    LEU   8           HN       LEU   8  -3.104  10.586  -4.631
   61    HA   LEU   8           HA       LEU   8  -4.934  12.436  -5.783
   62    HB2  LEU   8           HB1      LEU   8  -3.175  10.998  -6.986
   63    HB3  LEU   8           HB2      LEU   8  -4.221   9.585  -6.677
   64    HG   LEU   8           HG       LEU   8  -6.072  10.784  -7.999
   65   HD11  LEU   8          HD11      LEU   8  -5.193  13.143  -7.868
   66   HD12  LEU   8          HD12      LEU   8  -5.368  12.586  -9.568
   67   HD13  LEU   8          HD13      LEU   8  -3.736  12.639  -8.817
   68   HD21  LEU   8          HD21      LEU   8  -4.673   8.957  -8.964
   69   HD22  LEU   8          HD22      LEU   8  -3.434  10.167  -9.473
   70   HD23  LEU   8          HD23      LEU   8  -5.080  10.201 -10.200
   71    H    ALA   9           HN       ALA   9  -5.342   9.081  -4.561
   72    HA   ALA   9           HA       ALA   9  -7.981   8.711  -5.208
   73    HB1  ALA   9           HB1      ALA   9  -7.865   6.812  -3.579
   74    HB2  ALA   9           HB2      ALA   9  -6.372   6.901  -4.579
   75    HB3  ALA   9           HB3      ALA   9  -6.351   7.512  -2.887
   76    H    ALA  10           HN       ALA  10  -6.674  10.139  -2.166
   77    HA   ALA  10           HA       ALA  10  -9.130  10.340  -0.852
   78    HB1  ALA  10           HB1      ALA  10  -6.897  10.718   0.212
   79    HB2  ALA  10           HB2      ALA  10  -6.691  12.222  -0.755
   80    HB3  ALA  10           HB3      ALA  10  -7.993  12.117   0.497
   81    H    LYS  11           HN       LYS  11  -7.719  12.546  -3.290
   82    HA   LYS  11           HA       LYS  11  -9.801  14.520  -2.937
   83    HB2  LYS  11           HB1      LYS  11  -7.731  14.241  -5.185
   84    HB3  LYS  11           HB2      LYS  11  -8.731  15.687  -4.827
   85    HG2  LYS  11           HG1      LYS  11  -7.606  15.835  -2.547
   86    HG3  LYS  11           HG2      LYS  11  -6.574  14.452  -3.011
   87    HD2  LYS  11           HD1      LYS  11  -5.962  15.974  -5.137
   88    HD3  LYS  11           HD2      LYS  11  -6.653  17.295  -4.161
   89    HE2  LYS  11           HE1      LYS  11  -4.246  17.335  -3.764
   90    HE3  LYS  11           HE2      LYS  11  -4.994  16.642  -2.267
   91    HZ1  LYS  11           HZ1      LYS  11  -3.662  15.181  -4.499
   92    HZ2  LYS  11           HZ2      LYS  11  -4.570  14.411  -3.319
   93    HZ3  LYS  11           HZ3      LYS  11  -3.185  15.214  -2.877
   94    H    PHE  12           HN       PHE  12  -9.053  12.041  -5.457
   95    HA   PHE  12           HA       PHE  12 -11.458  12.849  -6.921
   96    HB2  PHE  12           HB1      PHE  12  -9.065  11.005  -7.520
   97    HB3  PHE  12           HB2      PHE  12 -10.517  11.059  -8.588
   98    HD1  PHE  12           HD1      PHE  12  -7.606  13.013  -7.374
   99    HD2  PHE  12           HD2      PHE  12 -11.088  12.985  -9.881
  100    HE1  PHE  12           HE1      PHE  12  -6.779  15.042  -8.549
  101    HE2  PHE  12           HE2      PHE  12 -10.263  14.999 -11.059
  102    HZ   PHE  12           HZ       PHE  12  -8.109  16.028 -10.396
  103    H    GLY  13           HN       GLY  13 -10.846  10.668  -4.430
  104    HA2  GLY  13           HA1      GLY  13 -13.205   9.056  -5.227
  105    HA3  GLY  13           HA2      GLY  13 -11.783   8.457  -4.312
  106    HA   PRO  14           HA       PRO  14 -13.701  11.013  -0.958
  107    HB2  PRO  14           HB1      PRO  14 -15.851  12.764  -1.303
  108    HB3  PRO  14           HB2      PRO  14 -14.153  13.226  -1.707
  109    HG2  PRO  14           HG1      PRO  14 -16.262  12.121  -3.653
  110    HG3  PRO  14           HG2      PRO  14 -15.272  13.632  -3.819
  111    HD2  PRO  14           HD1      PRO  14 -14.437  11.298  -5.010
  112    HD3  PRO  14           HD2      PRO  14 -13.248  12.386  -4.169
  113    H    LYS  15           HN       LYS  15 -15.677   9.494  -3.262
  114    HA   LYS  15           HA       LYS  15 -17.871   8.550  -1.782
  115    HB2  LYS  15           HB1      LYS  15 -17.481   8.365  -4.280
  116    HB3  LYS  15           HB2      LYS  15 -16.133   7.230  -3.968
  117    HG2  LYS  15           HG1      LYS  15 -17.873   5.653  -2.870
  118    HG3  LYS  15           HG2      LYS  15 -19.142   6.734  -3.509
  119    HD2  LYS  15           HD1      LYS  15 -16.978   5.228  -5.127
  120    HD3  LYS  15           HD2      LYS  15 -18.684   4.715  -4.936
  121    HE2  LYS  15           HE1      LYS  15 -19.465   6.754  -6.187
  122    HE3  LYS  15           HE2      LYS  15 -17.752   7.302  -6.379
  123    HZ1  LYS  15           HZ1      LYS  15 -18.895   4.758  -7.443
  124    HZ2  LYS  15           HZ2      LYS  15 -17.295   5.281  -7.617
  125    HZ3  LYS  15           HZ3      LYS  15 -18.550   6.155  -8.333
  126    H    LEU  16           HN       LEU  16 -14.513   7.212  -2.083
  127    HA   LEU  16           HA       LEU  16 -15.033   5.021  -0.294
  128    HB2  LEU  16           HB1      LEU  16 -12.422   6.276  -1.333
  129    HB3  LEU  16           HB2      LEU  16 -12.517   4.757  -0.388
  130    HG   LEU  16           HG       LEU  16 -13.785   5.189  -3.157
  131   HD11  LEU  16          HD11      LEU  16 -11.291   5.238  -3.232
  132   HD12  LEU  16          HD12      LEU  16 -11.935   3.728  -3.981
  133   HD13  LEU  16          HD13      LEU  16 -11.227   3.681  -2.327
  134   HD21  LEU  16          HD21      LEU  16 -15.015   3.447  -1.849
  135   HD22  LEU  16          HD22      LEU  16 -13.453   2.647  -1.432
  136   HD23  LEU  16          HD23      LEU  16 -14.020   2.676  -3.138
  137    H    PHE  17           HN       PHE  17 -13.535   8.236  -0.068
  138    HA   PHE  17           HA       PHE  17 -12.514   8.006   2.489
  139    HB2  PHE  17           HB1      PHE  17 -12.228   9.808   0.523
  140    HB3  PHE  17           HB2      PHE  17 -13.527  10.695   1.388
  141    HD1  PHE  17           HD1      PHE  17 -12.993  11.788   3.508
  142    HD2  PHE  17           HD2      PHE  17 -10.111   9.239   1.599
  143    HE1  PHE  17           HE1      PHE  17 -11.226  12.635   5.034
  144    HE2  PHE  17           HE2      PHE  17  -8.350  10.082   3.123
  145    HZ   PHE  17           HZ       PHE  17  -8.907  11.782   4.839
  146    H2   ABA  18           HN       AGL  18 -15.750   9.224   1.491
  147    HA   ABA  18           HA       AGL  18 -16.754   9.741   4.054
  148    HB3  ABA  18           HB2      AGL  18 -18.046   8.922   1.396
  149    HB2  ABA  18           HB1      AGL  18 -17.815  10.572   1.998
  150    HG3  ABA  18           HG       AGL  18 -20.006   8.572   2.710
  151    H    LEU  19           HN       LEU  19 -16.826   6.627   2.163
  152    HA   LEU  19           HA       LEU  19 -18.403   5.297   4.087
  153    HB2  LEU  19           HB1      LEU  19 -16.469   4.279   1.942
  154    HB3  LEU  19           HB2      LEU  19 -17.508   3.186   2.913
  155    HG   LEU  19           HG       LEU  19 -18.614   5.447   1.156
  156   HD11  LEU  19          HD11      LEU  19 -17.400   3.796  -0.247
  157   HD12  LEU  19          HD12      LEU  19 -19.183   3.660  -0.488
  158   HD13  LEU  19          HD13      LEU  19 -18.316   2.443   0.524
  159   HD21  LEU  19          HD21      LEU  19 -20.184   4.732   2.962
  160   HD22  LEU  19          HD22      LEU  19 -19.964   3.008   2.483
  161   HD23  LEU  19          HD23      LEU  19 -20.762   4.164   1.356
  162    H    VAL  20           HN       VAL  20 -14.784   5.278   3.711
  163    HA   VAL  20           HA       VAL  20 -14.486   3.517   5.905
  164    HB   VAL  20           HB       VAL  20 -12.124   3.967   5.888
  165   HG11  VAL  20          HG11      VAL  20 -13.181   2.387   4.235
  166   HG12  VAL  20          HG12      VAL  20 -13.308   3.734   3.038
  167   HG13  VAL  20          HG13      VAL  20 -11.693   3.169   3.589
  168   HG21  VAL  20          HG21      VAL  20 -12.015   6.413   5.472
  169   HG22  VAL  20          HG22      VAL  20 -11.149   5.544   4.167
  170   HG23  VAL  20          HG23      VAL  20 -12.793   6.205   3.853
  171    H    THR  21           HN       THR  21 -14.339   7.091   5.767
  172    HA   THR  21           HA       THR  21 -13.678   7.260   8.555
  173    HB   THR  21           HB       THR  21 -14.767   9.662   7.061
  174    HG1  THR  21           HG1      THR  21 -13.300   8.917   5.626
  175   HG21  THR  21          HG21      THR  21 -12.408   9.154   9.019
  176   HG22  THR  21          HG22      THR  21 -14.014   9.765   9.543
  177   HG23  THR  21          HG23      THR  21 -12.967  10.759   8.444
  178    H    LYS  22           HN       LYS  22 -16.584   6.897   6.817
  179    HA   LYS  22           HA       LYS  22 -18.655   6.605   7.321
  180    HB2  LYS  22           HB1      LYS  22 -17.181   5.126   8.852
  181    HB3  LYS  22           HB2      LYS  22 -17.801   6.145  10.200
  182    HG2  LYS  22           HG1      LYS  22 -20.176   5.470   9.373
  183    HG3  LYS  22           HG2      LYS  22 -19.385   4.299   8.284
  184    HD2  LYS  22           HD1      LYS  22 -19.231   4.376  11.383
  185    HD3  LYS  22           HD2      LYS  22 -20.251   3.309  10.394
  186    HE2  LYS  22           HE1      LYS  22 -18.445   1.928  11.106
  187    HE3  LYS  22           HE2      LYS  22 -18.124   2.282   9.363
  188    HZ1  LYS  22           HZ1      LYS  22 -16.564   3.978  10.061
  189    HZ2  LYS  22           HZ2      LYS  22 -16.143   2.491  10.753
  190    HZ3  LYS  22           HZ3      LYS  22 -16.896   3.688  11.694
  191    H    LYS  23           HN       LYS  23 -17.683   9.494   7.970
  192    HA   LYS  23           HA       LYS  23 -20.158  10.221   9.437
  193    HB2  LYS  23           HB1      LYS  23 -19.172  11.487  10.970
  194    HB3  LYS  23           HB2      LYS  23 -17.884  10.283  10.742
  195    HG2  LYS  23           HG1      LYS  23 -17.993  13.174   9.657
  196    HG3  LYS  23           HG2      LYS  23 -17.048  12.560  11.040
  197    HD2  LYS  23           HD1      LYS  23 -15.652  11.165   9.518
  198    HD3  LYS  23           HD2      LYS  23 -16.636  11.669   8.112
  199    HE2  LYS  23           HE1      LYS  23 -14.493  12.952   8.175
  200    HE3  LYS  23           HE2      LYS  23 -15.926  14.039   8.362
  201    HZ1  LYS  23           HZ1      LYS  23 -15.574  13.994  10.747
  202    HZ2  LYS  23           HZ2      LYS  23 -14.202  14.582   9.947
  203    HZ3  LYS  23           HZ3      LYS  23 -14.214  13.004  10.576
  204    H2   ABA  24           HN       AGL  24 -19.346  10.286   6.409
  205    HA   ABA  24           HA       AGL  24 -19.384  13.092   5.837
  206    HB3  ABA  24           HB2      AGL  24 -18.276  11.606   4.282
  207    HB2  ABA  24           HB1      AGL  24 -19.607  12.484   3.483
  208    HG3  ABA  24           HG       AGL  24 -21.022  10.185   4.124
  Start of MODEL   11
    1    H1   PHE   1           HN       PHE   1   1.424   1.255   0.648
    2    HA   PHE   1           HA       PHE   1   3.152   0.362  -1.521
    3    HB2  PHE   1           HB1      PHE   1   0.339  -0.678  -0.810
    4    HB3  PHE   1           HB2      PHE   1   1.061  -0.910  -2.445
    5    HD1  PHE   1           HD1      PHE   1   2.936  -2.390  -2.804
    6    HD2  PHE   1           HD2      PHE   1   1.323  -1.838   1.137
    7    HE1  PHE   1           HE1      PHE   1   4.171  -4.389  -2.021
    8    HE2  PHE   1           HE2      PHE   1   2.556  -3.837   1.924
    9    HZ   PHE   1           HZ       PHE   1   3.983  -5.115   0.347
   10    H    LEU   2           HN       LEU   2   3.033   1.540  -3.322
   11    HA   LEU   2           HA       LEU   2   2.667   3.312  -4.595
   12    HB2  LEU   2           HB1      LEU   2  -0.147   2.166  -4.488
   13    HB3  LEU   2           HB2      LEU   2   0.445   3.340  -5.698
   14    HG   LEU   2           HG       LEU   2   2.299   1.622  -6.284
   15   HD11  LEU   2          HD11      LEU   2   0.265  -0.258  -4.908
   16   HD12  LEU   2          HD12      LEU   2   2.014  -0.087  -4.485
   17   HD13  LEU   2          HD13      LEU   2   1.533  -0.789  -6.067
   18   HD21  LEU   2          HD21      LEU   2  -0.655   1.067  -6.956
   19   HD22  LEU   2          HD22      LEU   2   0.768   0.526  -7.915
   20   HD23  LEU   2          HD23      LEU   2   0.407   2.283  -7.762
   21    HA   PRO   3           HA       PRO   3   0.660   5.894  -1.259
   22    HB2  PRO   3           HB1      PRO   3   2.749   7.599  -0.449
   23    HB3  PRO   3           HB2      PRO   3   2.564   5.904   0.137
   24    HG2  PRO   3           HG1      PRO   3   4.294   6.857  -2.220
   25    HG3  PRO   3           HG2      PRO   3   4.803   5.846  -0.802
   26    HD2  PRO   3           HD1      PRO   3   4.083   4.642  -3.161
   27    HD3  PRO   3           HD2      PRO   3   3.497   3.959  -1.575
   28    H    ILE   4           HN       ILE   4   2.520   7.026  -3.964
   29    HA   ILE   4           HA       ILE   4   1.698   9.577  -4.429
   30    HB   ILE   4           HB       ILE   4   1.834   7.381  -6.537
   31   HG12  ILE   4          HG11      ILE   4   3.895   7.207  -5.255
   32   HG13  ILE   4          HG12      ILE   4   4.202   7.993  -6.823
   33   HG21  ILE   4          HG21      ILE   4   0.872   9.511  -7.398
   34   HG22  ILE   4          HG22      ILE   4   2.211  10.454  -6.648
   35   HG23  ILE   4          HG23      ILE   4   2.549   9.320  -8.003
   36   HD11  ILE   4           HD1      ILE   4   5.507   9.115  -5.040
   37   HD12  ILE   4           HD2      ILE   4   4.284  10.254  -5.697
   38   HD13  ILE   4           HD3      ILE   4   4.015   9.463  -4.101
   39    H    LEU   5           HN       LEU   5  -0.169   6.703  -5.660
   40    HA   LEU   5           HA       LEU   5  -2.273   8.441  -6.450
   41    HB2  LEU   5           HB1      LEU   5  -3.487   6.440  -7.173
   42    HB3  LEU   5           HB2      LEU   5  -1.840   6.599  -7.827
   43    HG   LEU   5           HG       LEU   5  -1.037   4.896  -6.109
   44   HD11  LEU   5          HD11      LEU   5  -2.858   4.839  -4.431
   45   HD12  LEU   5          HD12      LEU   5  -2.789   3.265  -5.277
   46   HD13  LEU   5          HD13      LEU   5  -4.070   4.451  -5.718
   47   HD21  LEU   5          HD21      LEU   5  -1.423   4.373  -8.507
   48   HD22  LEU   5          HD22      LEU   5  -3.170   4.076  -8.179
   49   HD23  LEU   5          HD23      LEU   5  -1.929   2.984  -7.473
   50    H    ALA   6           HN       ALA   6  -1.685   6.829  -3.375
   51    HA   ALA   6           HA       ALA   6  -4.337   6.952  -2.415
   52    HB1  ALA   6           HB1      ALA   6  -3.267   6.916  -0.153
   53    HB2  ALA   6           HB2      ALA   6  -2.480   5.729  -1.252
   54    HB3  ALA   6           HB3      ALA   6  -1.673   7.299  -0.900
   55    H    SER   7           HN       SER   7  -1.738   9.354  -2.493
   56    HA   SER   7           HA       SER   7  -3.062  11.459  -1.179
   57    HB2  SER   7           HB1      SER   7  -0.849  11.579  -3.319
   58    HB3  SER   7           HB2      SER   7  -1.389  12.969  -2.315
   59    HG   SER   7           HG1      SER   7  -0.130  10.579  -1.449
   60    H    LEU   8           HN       LEU   8  -3.111  10.470  -4.598
   61    HA   LEU   8           HA       LEU   8  -4.768  12.632  -5.488
   62    HB2  LEU   8           HB1      LEU   8  -3.198  11.191  -6.904
   63    HB3  LEU   8           HB2      LEU   8  -4.316   9.824  -6.653
   64    HG   LEU   8           HG       LEU   8  -6.148  11.255  -7.773
   65   HD11  LEU   8          HD11      LEU   8  -5.088  13.520  -7.527
   66   HD12  LEU   8          HD12      LEU   8  -5.359  13.107  -9.257
   67   HD13  LEU   8          HD13      LEU   8  -3.706  12.982  -8.561
   68   HD21  LEU   8          HD21      LEU   8  -3.640  10.529  -9.413
   69   HD22  LEU   8          HD22      LEU   8  -5.305  10.756 -10.060
   70   HD23  LEU   8          HD23      LEU   8  -4.961   9.398  -8.929
   71    H    ALA   9           HN       ALA   9  -5.425   9.207  -4.573
   72    HA   ALA   9           HA       ALA   9  -8.039   9.058  -5.287
   73    HB1  ALA   9           HB1      ALA   9  -8.082   7.005  -3.846
   74    HB2  ALA   9           HB2      ALA   9  -6.558   7.113  -4.793
   75    HB3  ALA   9           HB3      ALA   9  -6.557   7.554  -3.049
   76    H    ALA  10           HN       ALA  10  -6.812  10.128  -2.085
   77    HA   ALA  10           HA       ALA  10  -9.306  10.280  -0.831
   78    HB1  ALA  10           HB1      ALA  10  -8.167  11.903   0.707
   79    HB2  ALA  10           HB2      ALA  10  -7.113  10.492   0.339
   80    HB3  ALA  10           HB3      ALA  10  -6.816  12.063  -0.487
   81    H    LYS  11           HN       LYS  11  -7.842  12.540  -3.135
   82    HA   LYS  11           HA       LYS  11  -9.757  14.665  -2.605
   83    HB2  LYS  11           HB1      LYS  11  -7.440  14.274  -4.574
   84    HB3  LYS  11           HB2      LYS  11  -8.562  15.653  -4.724
   85    HG2  LYS  11           HG1      LYS  11  -6.480  16.296  -3.636
   86    HG3  LYS  11           HG2      LYS  11  -7.914  16.615  -2.619
   87    HD2  LYS  11           HD1      LYS  11  -7.408  14.963  -1.044
   88    HD3  LYS  11           HD2      LYS  11  -6.416  13.998  -2.164
   89    HE2  LYS  11           HE1      LYS  11  -5.494  16.739  -1.060
   90    HE3  LYS  11           HE2      LYS  11  -5.100  15.135  -0.313
   91    HZ1  LYS  11           HZ1      LYS  11  -4.264  14.460  -2.506
   92    HZ2  LYS  11           HZ2      LYS  11  -3.342  15.679  -1.773
   93    HZ3  LYS  11           HZ3      LYS  11  -4.403  16.047  -3.059
   94    H    PHE  12           HN       PHE  12  -9.101  12.319  -5.268
   95    HA   PHE  12           HA       PHE  12 -11.468  13.321  -6.680
   96    HB2  PHE  12           HB1      PHE  12  -9.170  11.410  -7.419
   97    HB3  PHE  12           HB2      PHE  12 -10.619  11.629  -8.473
   98    HD1  PHE  12           HD1      PHE  12  -7.593  13.299  -7.134
   99    HD2  PHE  12           HD2      PHE  12 -11.104  13.715  -9.569
  100    HE1  PHE  12           HE1      PHE  12  -6.667  15.385  -8.118
  101    HE2  PHE  12           HE2      PHE  12 -10.180  15.789 -10.554
  102    HZ   PHE  12           HZ       PHE  12  -7.963  16.626  -9.830
  103    H    GLY  13           HN       GLY  13 -10.981  11.058  -4.291
  104    HA2  GLY  13           HA1      GLY  13 -13.421   9.595  -5.121
  105    HA3  GLY  13           HA2      GLY  13 -12.018   8.873  -4.263
  106    HA   PRO  14           HA       PRO  14 -13.882  11.381  -0.760
  107    HB2  PRO  14           HB1      PRO  14 -16.026  13.143  -1.112
  108    HB3  PRO  14           HB2      PRO  14 -14.309  13.627  -1.386
  109    HG2  PRO  14           HG1      PRO  14 -16.306  12.664  -3.515
  110    HG3  PRO  14           HG2      PRO  14 -15.289  14.165  -3.532
  111    HD2  PRO  14           HD1      PRO  14 -14.432  11.889  -4.814
  112    HD3  PRO  14           HD2      PRO  14 -13.267  12.912  -3.867
  113    H    LYS  15           HN       LYS  15 -15.920  10.173  -3.244
  114    HA   LYS  15           HA       LYS  15 -18.075   9.044  -1.869
  115    HB2  LYS  15           HB1      LYS  15 -17.830   9.191  -4.340
  116    HB3  LYS  15           HB2      LYS  15 -16.384   8.136  -4.282
  117    HG2  LYS  15           HG1      LYS  15 -17.826   6.191  -3.589
  118    HG3  LYS  15           HG2      LYS  15 -19.245   7.274  -3.531
  119    HD2  LYS  15           HD1      LYS  15 -19.341   6.020  -5.592
  120    HD3  LYS  15           HD2      LYS  15 -19.014   7.740  -5.982
  121    HE2  LYS  15           HE1      LYS  15 -16.561   7.173  -6.351
  122    HE3  LYS  15           HE2      LYS  15 -16.919   5.446  -5.955
  123    HZ1  LYS  15           HZ1      LYS  15 -18.428   5.391  -7.850
  124    HZ2  LYS  15           HZ2      LYS  15 -16.873   5.852  -8.331
  125    HZ3  LYS  15           HZ3      LYS  15 -18.095   7.011  -8.211
  126    H    LEU  16           HN       LEU  16 -14.734   7.721  -2.353
  127    HA   LEU  16           HA       LEU  16 -15.302   5.333  -0.834
  128    HB2  LEU  16           HB1      LEU  16 -12.656   6.602  -1.755
  129    HB3  LEU  16           HB2      LEU  16 -12.825   4.971  -1.036
  130    HG   LEU  16           HG       LEU  16 -14.072   5.872  -3.702
  131   HD11  LEU  16          HD11      LEU  16 -11.610   4.108  -3.126
  132   HD12  LEU  16          HD12      LEU  16 -11.579   5.782  -3.790
  133   HD13  LEU  16          HD13      LEU  16 -12.313   4.441  -4.749
  134   HD21  LEU  16          HD21      LEU  16 -14.461   3.401  -4.051
  135   HD22  LEU  16          HD22      LEU  16 -15.405   4.034  -2.651
  136   HD23  LEU  16          HD23      LEU  16 -13.895   3.089  -2.373
  137    H    PHE  17           HN       PHE  17 -13.696   8.475  -0.294
  138    HA   PHE  17           HA       PHE  17 -12.604   7.901   2.167
  139    HB2  PHE  17           HB1      PHE  17 -12.233   9.911   0.499
  140    HB3  PHE  17           HB2      PHE  17 -13.555  10.726   1.405
  141    HD1  PHE  17           HD1      PHE  17 -13.192  11.311   3.806
  142    HD2  PHE  17           HD2      PHE  17 -10.107   9.419   1.491
  143    HE1  PHE  17           HE1      PHE  17 -11.531  11.884   5.549
  144    HE2  PHE  17           HE2      PHE  17  -8.441  10.006   3.231
  145    HZ   PHE  17           HZ       PHE  17  -9.156  11.238   5.262
  146    H2   ABA  18           HN       AGL  18 -15.854   9.376   1.536
  147    HA   ABA  18           HA       AGL  18 -16.567   9.593   4.249
  148    HB3  ABA  18           HB2      AGL  18 -18.267   9.271   1.720
  149    HB2  ABA  18           HB1      AGL  18 -17.736  10.800   2.442
  150    HG3  ABA  18           HG       AGL  18 -20.002   8.948   3.350
  151    H    LEU  19           HN       LEU  19 -16.979   6.804   1.973
  152    HA   LEU  19           HA       LEU  19 -18.479   5.245   3.772
  153    HB2  LEU  19           HB1      LEU  19 -16.687   4.492   1.407
  154    HB3  LEU  19           HB2      LEU  19 -17.698   3.300   2.285
  155    HG   LEU  19           HG       LEU  19 -18.822   5.775   0.861
  156   HD11  LEU  19          HD11      LEU  19 -17.756   4.218  -0.758
  157   HD12  LEU  19          HD12      LEU  19 -19.554   4.179  -0.912
  158   HD13  LEU  19          HD13      LEU  19 -18.692   2.836  -0.067
  159   HD21  LEU  19          HD21      LEU  19 -20.328   4.953   2.672
  160   HD22  LEU  19          HD22      LEU  19 -20.198   3.271   2.034
  161   HD23  LEU  19          HD23      LEU  19 -21.009   4.549   1.057
  162    H    VAL  20           HN       VAL  20 -14.871   5.252   3.257
  163    HA   VAL  20           HA       VAL  20 -14.524   3.278   5.271
  164    HB   VAL  20           HB       VAL  20 -12.163   3.763   5.280
  165   HG11  VAL  20          HG11      VAL  20 -11.757   3.129   2.922
  166   HG12  VAL  20          HG12      VAL  20 -13.223   2.283   3.539
  167   HG13  VAL  20          HG13      VAL  20 -13.390   3.705   2.440
  168   HG21  VAL  20          HG21      VAL  20 -12.874   6.090   3.368
  169   HG22  VAL  20          HG22      VAL  20 -12.150   6.256   5.017
  170   HG23  VAL  20          HG23      VAL  20 -11.218   5.473   3.700
  171    H    THR  21           HN       THR  21 -14.519   6.836   5.457
  172    HA   THR  21           HA       THR  21 -13.732   6.982   8.159
  173    HB   THR  21           HB       THR  21 -15.442   9.033   6.689
  174    HG1  THR  21           HG1      THR  21 -13.589   8.776   5.543
  175   HG21  THR  21          HG21      THR  21 -13.411   9.225   9.032
  176   HG22  THR  21          HG22      THR  21 -15.192   9.351   9.246
  177   HG23  THR  21          HG23      THR  21 -14.297  10.599   8.296
  178    H    LYS  22           HN       LYS  22 -16.992   6.732   6.710
  179    HA   LYS  22           HA       LYS  22 -19.025   6.687   7.449
  180    HB2  LYS  22           HB1      LYS  22 -17.962   5.520  10.080
  181    HB3  LYS  22           HB2      LYS  22 -19.667   5.632   9.602
  182    HG2  LYS  22           HG1      LYS  22 -19.299   3.459   9.140
  183    HG3  LYS  22           HG2      LYS  22 -19.158   4.220   7.537
  184    HD2  LYS  22           HD1      LYS  22 -17.541   2.447   7.819
  185    HD3  LYS  22           HD2      LYS  22 -16.680   3.983   7.616
  186    HE2  LYS  22           HE1      LYS  22 -17.205   3.011  10.488
  187    HE3  LYS  22           HE2      LYS  22 -16.029   2.077   9.481
  188    HZ1  LYS  22           HZ1      LYS  22 -15.874   5.012   9.976
  189    HZ2  LYS  22           HZ2      LYS  22 -14.851   4.102   9.029
  190    HZ3  LYS  22           HZ3      LYS  22 -14.906   3.820  10.703
  191    H    LYS  23           HN       LYS  23 -17.264   9.158   8.248
  192    HA   LYS  23           HA       LYS  23 -19.296  10.257  10.118
  193    HB2  LYS  23           HB1      LYS  23 -16.961   9.690  11.032
  194    HB3  LYS  23           HB2      LYS  23 -16.358  11.111  10.142
  195    HG2  LYS  23           HG1      LYS  23 -18.784  11.403  12.002
  196    HG3  LYS  23           HG2      LYS  23 -17.200  11.100  12.745
  197    HD2  LYS  23           HD1      LYS  23 -16.380  13.155  12.405
  198    HD3  LYS  23           HD2      LYS  23 -16.960  13.256  10.732
  199    HE2  LYS  23           HE1      LYS  23 -18.681  13.828  13.251
  200    HE3  LYS  23           HE2      LYS  23 -17.946  15.052  12.139
  201    HZ1  LYS  23           HZ1      LYS  23 -20.041  14.840  11.268
  202    HZ2  LYS  23           HZ2      LYS  23 -20.178  13.189  11.649
  203    HZ3  LYS  23           HZ3      LYS  23 -19.212  13.668  10.363
  204    H2   ABA  24           HN       AGL  24 -18.887  10.368   6.996
  205    HA   ABA  24           HA       AGL  24 -18.521  13.193   6.579
  206    HB3  ABA  24           HB2      AGL  24 -17.786  11.695   4.837
  207    HB2  ABA  24           HB1      AGL  24 -19.082  12.749   4.217
  208    HG3  ABA  24           HG       AGL  24 -20.636  10.536   4.988
  Start of MODEL   12
    1    H1   PHE   1           HN       PHE   1   1.464   0.947   0.446
    2    HA   PHE   1           HA       PHE   1   3.439   0.269  -1.522
    3    HB2  PHE   1           HB1      PHE   1   0.779  -1.237  -1.190
    4    HB3  PHE   1           HB2      PHE   1   1.517  -1.067  -2.823
    5    HD1  PHE   1           HD1      PHE   1   3.382  -2.353  -3.483
    6    HD2  PHE   1           HD2      PHE   1   2.138  -2.388   0.626
    7    HE1  PHE   1           HE1      PHE   1   4.909  -4.248  -3.042
    8    HE2  PHE   1           HE2      PHE   1   3.663  -4.286   1.074
    9    HZ   PHE   1           HZ       PHE   1   5.057  -5.218  -0.759
   10    H    LEU   2           HN       LEU   2   3.132   1.321  -3.464
   11    HA   LEU   2           HA       LEU   2   2.718   3.150  -4.647
   12    HB2  LEU   2           HB1      LEU   2  -0.042   1.896  -4.482
   13    HB3  LEU   2           HB2      LEU   2   0.405   3.188  -5.630
   14    HG   LEU   2           HG       LEU   2   2.289   1.677  -6.496
   15   HD11  LEU   2          HD11      LEU   2   1.788  -0.807  -6.368
   16   HD12  LEU   2          HD12      LEU   2   0.607  -0.476  -5.052
   17   HD13  LEU   2          HD13      LEU   2   2.368  -0.147  -4.802
   18   HD21  LEU   2          HD21      LEU   2  -0.650   0.862  -6.920
   19   HD22  LEU   2          HD22      LEU   2   0.716   0.513  -8.038
   20   HD23  LEU   2          HD23      LEU   2   0.209   2.216  -7.747
   21    HA   PRO   3           HA       PRO   3   0.843   5.607  -1.158
   22    HB2  PRO   3           HB1      PRO   3   2.931   7.374  -0.474
   23    HB3  PRO   3           HB2      PRO   3   2.830   5.671   0.110
   24    HG2  PRO   3           HG1      PRO   3   4.369   6.688  -2.348
   25    HG3  PRO   3           HG2      PRO   3   5.003   5.680  -0.979
   26    HD2  PRO   3           HD1      PRO   3   4.163   4.476  -3.296
   27    HD3  PRO   3           HD2      PRO   3   3.690   3.763  -1.685
   28    H    ILE   4           HN       ILE   4   2.432   6.832  -3.983
   29    HA   ILE   4           HA       ILE   4   1.533   9.374  -4.324
   30    HB   ILE   4           HB       ILE   4   1.522   7.227  -6.484
   31   HG12  ILE   4          HG11      ILE   4   3.684   7.054  -5.383
   32   HG13  ILE   4          HG12      ILE   4   3.852   7.883  -6.950
   33   HG21  ILE   4          HG21      ILE   4   1.846  10.307  -6.556
   34   HG22  ILE   4          HG22      ILE   4   2.090   9.208  -7.959
   35   HG23  ILE   4          HG23      ILE   4   0.465   9.358  -7.215
   36   HD11  ILE   4           HD1      ILE   4   3.993  10.117  -5.776
   37   HD12  ILE   4           HD2      ILE   4   3.869   9.283  -4.184
   38   HD13  ILE   4           HD3      ILE   4   5.283   8.983  -5.253
   39    H    LEU   5           HN       LEU   5  -0.395   6.496  -5.427
   40    HA   LEU   5           HA       LEU   5  -2.526   8.193  -6.162
   41    HB2  LEU   5           HB1      LEU   5  -3.743   6.208  -6.822
   42    HB3  LEU   5           HB2      LEU   5  -2.061   6.198  -7.403
   43    HG   LEU   5           HG       LEU   5  -1.534   4.652  -5.351
   44   HD11  LEU   5          HD11      LEU   5  -4.598   4.271  -5.539
   45   HD12  LEU   5          HD12      LEU   5  -3.682   4.801  -4.075
   46   HD13  LEU   5          HD13      LEU   5  -3.456   3.144  -4.721
   47   HD21  LEU   5          HD21      LEU   5  -3.279   3.698  -7.708
   48   HD22  LEU   5          HD22      LEU   5  -2.199   2.663  -6.708
   49   HD23  LEU   5          HD23      LEU   5  -1.496   3.961  -7.745
   50    H    ALA   6           HN       ALA   6  -1.784   6.839  -3.032
   51    HA   ALA   6           HA       ALA   6  -4.400   6.929  -1.961
   52    HB1  ALA   6           HB1      ALA   6  -1.688   7.466  -0.598
   53    HB2  ALA   6           HB2      ALA   6  -3.234   7.073   0.241
   54    HB3  ALA   6           HB3      ALA   6  -2.445   5.848  -0.815
   55    H    SER   7           HN       SER   7  -1.902   9.442  -2.376
   56    HA   SER   7           HA       SER   7  -3.365  11.574  -1.190
   57    HB2  SER   7           HB1      SER   7  -1.178  11.687  -3.354
   58    HB3  SER   7           HB2      SER   7  -1.837  13.102  -2.461
   59    HG   SER   7           HG1      SER   7  -0.340  10.926  -1.431
   60    H    LEU   8           HN       LEU   8  -3.172  10.359  -4.551
   61    HA   LEU   8           HA       LEU   8  -4.865  12.293  -5.707
   62    HB2  LEU   8           HB1      LEU   8  -3.303  10.667  -6.912
   63    HB3  LEU   8           HB2      LEU   8  -4.452   9.356  -6.514
   64    HG   LEU   8           HG       LEU   8  -6.239  10.666  -7.831
   65   HD11  LEU   8          HD11      LEU   8  -5.428  12.321  -9.504
   66   HD12  LEU   8          HD12      LEU   8  -3.765  12.231  -8.825
   67   HD13  LEU   8          HD13      LEU   8  -5.109  12.925  -7.840
   68   HD21  LEU   8          HD21      LEU   8  -5.062   8.659  -8.731
   69   HD22  LEU   8          HD22      LEU   8  -3.728   9.710  -9.344
   70   HD23  LEU   8          HD23      LEU   8  -5.386   9.869 -10.025
   71    H    ALA   9           HN       ALA   9  -5.648   9.017  -4.382
   72    HA   ALA   9           HA       ALA   9  -8.377   9.053  -4.813
   73    HB1  ALA   9           HB1      ALA   9  -6.753   7.735  -2.549
   74    HB2  ALA   9           HB2      ALA   9  -8.421   7.256  -3.053
   75    HB3  ALA   9           HB3      ALA   9  -7.032   7.033  -4.179
   76    H    ALA  10           HN       ALA  10  -6.517  10.404  -2.074
   77    HA   ALA  10           HA       ALA  10  -8.771  11.195  -0.584
   78    HB1  ALA  10           HB1      ALA  10  -7.123  12.538   0.709
   79    HB2  ALA  10           HB2      ALA  10  -6.463  10.910   0.332
   80    HB3  ALA  10           HB3      ALA  10  -5.910  12.323  -0.624
   81    H    LYS  11           HN       LYS  11  -7.665  12.582  -3.597
   82    HA   LYS  11           HA       LYS  11  -9.386  14.949  -2.997
   83    HB2  LYS  11           HB1      LYS  11  -7.054  14.591  -4.944
   84    HB3  LYS  11           HB2      LYS  11  -8.326  15.810  -5.232
   85    HG2  LYS  11           HG1      LYS  11  -6.589  17.005  -4.220
   86    HG3  LYS  11           HG2      LYS  11  -7.892  16.862  -3.018
   87    HD2  LYS  11           HD1      LYS  11  -6.139  14.603  -2.544
   88    HD3  LYS  11           HD2      LYS  11  -5.045  15.911  -3.002
   89    HE2  LYS  11           HE1      LYS  11  -5.349  15.724  -0.521
   90    HE3  LYS  11           HE2      LYS  11  -5.888  17.340  -1.128
   91    HZ1  LYS  11           HZ1      LYS  11  -7.780  15.068  -0.749
   92    HZ2  LYS  11           HZ2      LYS  11  -8.126  16.685  -0.965
   93    HZ3  LYS  11           HZ3      LYS  11  -7.413  16.159   0.486
   94    H    PHE  12           HN       PHE  12  -8.914  12.200  -5.259
   95    HA   PHE  12           HA       PHE  12 -11.259  13.162  -6.767
   96    HB2  PHE  12           HB1      PHE  12  -8.926  11.257  -7.403
   97    HB3  PHE  12           HB2      PHE  12 -10.376  11.400  -8.465
   98    HD1  PHE  12           HD1      PHE  12  -7.407  13.225  -7.162
   99    HD2  PHE  12           HD2      PHE  12 -10.826  13.354  -9.756
  100    HE1  PHE  12           HE1      PHE  12  -6.481  15.233  -8.284
  101    HE2  PHE  12           HE2      PHE  12  -9.899  15.353 -10.881
  102    HZ   PHE  12           HZ       PHE  12  -7.728  16.295 -10.148
  103    H    GLY  13           HN       GLY  13 -10.689  10.924  -4.293
  104    HA2  GLY  13           HA1      GLY  13 -12.967   9.257  -5.205
  105    HA3  GLY  13           HA2      GLY  13 -11.630   8.767  -4.122
  106    HA   PRO  14           HA       PRO  14 -13.921  11.311  -0.991
  107    HB2  PRO  14           HB1      PRO  14 -16.081  12.993  -1.569
  108    HB3  PRO  14           HB2      PRO  14 -14.363  13.517  -1.733
  109    HG2  PRO  14           HG1      PRO  14 -16.177  12.421  -3.957
  110    HG3  PRO  14           HG2      PRO  14 -15.190  13.939  -3.968
  111    HD2  PRO  14           HD1      PRO  14 -14.221  11.616  -5.084
  112    HD3  PRO  14           HD2      PRO  14 -13.130  12.716  -4.135
  113    H    LYS  15           HN       LYS  15 -15.856   9.986  -3.538
  114    HA   LYS  15           HA       LYS  15 -18.071   8.978  -2.174
  115    HB2  LYS  15           HB1      LYS  15 -17.772   9.063  -4.644
  116    HB3  LYS  15           HB2      LYS  15 -16.418   7.894  -4.539
  117    HG2  LYS  15           HG1      LYS  15 -18.015   6.095  -3.822
  118    HG3  LYS  15           HG2      LYS  15 -19.337   7.293  -3.755
  119    HD2  LYS  15           HD1      LYS  15 -19.586   6.024  -5.788
  120    HD3  LYS  15           HD2      LYS  15 -19.129   7.706  -6.211
  121    HE2  LYS  15           HE1      LYS  15 -16.744   6.934  -6.640
  122    HE3  LYS  15           HE2      LYS  15 -17.230   5.248  -6.207
  123    HZ1  LYS  15           HZ1      LYS  15 -18.796   5.293  -8.056
  124    HZ2  LYS  15           HZ2      LYS  15 -17.223   5.612  -8.589
  125    HZ3  LYS  15           HZ3      LYS  15 -18.339   6.873  -8.455
  126    H    LEU  16           HN       LEU  16 -14.781   7.502  -2.532
  127    HA   LEU  16           HA       LEU  16 -15.521   5.223  -0.890
  128    HB2  LEU  16           HB1      LEU  16 -12.808   6.267  -1.900
  129    HB3  LEU  16           HB2      LEU  16 -13.043   4.727  -1.016
  130    HG   LEU  16           HG       LEU  16 -14.287   5.383  -3.751
  131   HD11  LEU  16          HD11      LEU  16 -11.797   5.220  -3.863
  132   HD12  LEU  16          HD12      LEU  16 -12.576   3.799  -4.656
  133   HD13  LEU  16          HD13      LEU  16 -11.858   3.632  -3.015
  134   HD21  LEU  16          HD21      LEU  16 -14.152   2.755  -2.133
  135   HD22  LEU  16          HD22      LEU  16 -14.737   2.899  -3.826
  136   HD23  LEU  16          HD23      LEU  16 -15.645   3.700  -2.491
  137    H    PHE  17           HN       PHE  17 -13.714   8.278  -0.551
  138    HA   PHE  17           HA       PHE  17 -12.556   7.759   1.877
  139    HB2  PHE  17           HB1      PHE  17 -12.220   9.665   0.049
  140    HB3  PHE  17           HB2      PHE  17 -13.374  10.608   1.053
  141    HD1  PHE  17           HD1      PHE  17 -12.702  11.261   3.370
  142    HD2  PHE  17           HD2      PHE  17 -10.034   9.077   0.804
  143    HE1  PHE  17           HE1      PHE  17 -10.805  11.828   4.856
  144    HE2  PHE  17           HE2      PHE  17  -8.136   9.649   2.289
  145    HZ   PHE  17           HZ       PHE  17  -8.521  11.027   4.316
  146    H2   ABA  18           HN       AGL  18 -15.719   9.461   1.341
  147    HA   ABA  18           HA       AGL  18 -16.168   9.855   4.098
  148    HB3  ABA  18           HB2      AGL  18 -18.731   9.588   2.682
  149    HB2  ABA  18           HB1      AGL  18 -17.582  10.365   1.589
  150    HG3  ABA  18           HG       AGL  18 -17.140  12.223   3.183
  151    H    LEU  19           HN       LEU  19 -17.041   7.084   1.996
  152    HA   LEU  19           HA       LEU  19 -18.621   5.796   3.957
  153    HB2  LEU  19           HB1      LEU  19 -17.124   4.698   1.519
  154    HB3  LEU  19           HB2      LEU  19 -18.263   3.735   2.514
  155    HG   LEU  19           HG       LEU  19 -19.018   6.267   0.949
  156   HD11  LEU  19          HD11      LEU  19 -18.401   4.379  -0.551
  157   HD12  LEU  19          HD12      LEU  19 -20.175   4.699  -0.602
  158   HD13  LEU  19          HD13      LEU  19 -19.542   3.290   0.331
  159   HD21  LEU  19          HD21      LEU  19 -21.382   5.512   1.382
  160   HD22  LEU  19          HD22      LEU  19 -20.531   5.939   2.907
  161   HD23  LEU  19          HD23      LEU  19 -20.761   4.206   2.454
  162    H    VAL  20           HN       VAL  20 -15.094   5.325   3.158
  163    HA   VAL  20           HA       VAL  20 -14.813   3.340   5.151
  164    HB   VAL  20           HB       VAL  20 -13.302   3.561   3.248
  165   HG11  VAL  20          HG11      VAL  20 -12.996   6.063   3.261
  166   HG12  VAL  20          HG12      VAL  20 -12.040   5.931   4.790
  167   HG13  VAL  20          HG13      VAL  20 -11.434   5.170   3.283
  168   HG21  VAL  20          HG21      VAL  20 -11.921   3.632   6.016
  169   HG22  VAL  20          HG22      VAL  20 -12.734   2.199   5.278
  170   HG23  VAL  20          HG23      VAL  20 -11.270   2.908   4.506
  171    H    THR  21           HN       THR  21 -14.333   6.853   5.295
  172    HA   THR  21           HA       THR  21 -13.491   7.055   7.956
  173    HB   THR  21           HB       THR  21 -15.209   9.111   6.488
  174    HG1  THR  21           HG1      THR  21 -13.418   8.787   5.273
  175   HG21  THR  21          HG21      THR  21 -13.114   9.275   8.777
  176   HG22  THR  21          HG22      THR  21 -14.877   9.553   8.988
  177   HG23  THR  21          HG23      THR  21 -13.897  10.689   7.989
  178    H    LYS  22           HN       LYS  22 -16.695   6.631   6.584
  179    HA   LYS  22           HA       LYS  22 -18.750   6.579   7.259
  180    HB2  LYS  22           HB1      LYS  22 -17.722   5.721   9.998
  181    HB3  LYS  22           HB2      LYS  22 -19.329   5.358   9.322
  182    HG2  LYS  22           HG1      LYS  22 -18.517   3.729   7.813
  183    HG3  LYS  22           HG2      LYS  22 -16.848   4.314   7.836
  184    HD2  LYS  22           HD1      LYS  22 -18.262   2.791  10.093
  185    HD3  LYS  22           HD2      LYS  22 -16.980   2.201   8.998
  186    HE2  LYS  22           HE1      LYS  22 -16.733   4.163  11.352
  187    HE3  LYS  22           HE2      LYS  22 -15.857   2.614  11.059
  188    HZ1  LYS  22           HZ1      LYS  22 -14.931   3.917   9.004
  189    HZ2  LYS  22           HZ2      LYS  22 -14.322   4.259  10.549
  190    HZ3  LYS  22           HZ3      LYS  22 -15.461   5.268   9.825
  191    H    LYS  23           HN       LYS  23 -17.207   9.167   7.960
  192    HA   LYS  23           HA       LYS  23 -18.976  10.145  10.109
  193    HB2  LYS  23           HB1      LYS  23 -16.496  10.464  10.156
  194    HB3  LYS  23           HB2      LYS  23 -16.612  11.570   8.759
  195    HG2  LYS  23           HG1      LYS  23 -18.258  12.018  11.317
  196    HG3  LYS  23           HG2      LYS  23 -16.521  12.398  11.327
  197    HD2  LYS  23           HD1      LYS  23 -16.657  14.238   9.994
  198    HD3  LYS  23           HD2      LYS  23 -17.958  13.591   8.976
  199    HE2  LYS  23           HE1      LYS  23 -18.347  14.799  11.807
  200    HE3  LYS  23           HE2      LYS  23 -18.739  15.579  10.220
  201    HZ1  LYS  23           HZ1      LYS  23 -20.098  13.408   9.891
  202    HZ2  LYS  23           HZ2      LYS  23 -20.750  14.670  10.818
  203    HZ3  LYS  23           HZ3      LYS  23 -20.067  13.311  11.567
  204    H2   ABA  24           HN       AGL  24 -19.053   9.921   6.721
  205    HA   ABA  24           HA       AGL  24 -20.539  12.389   6.289
  206    HB3  ABA  24           HB2      AGL  24 -20.981  11.307   3.988
  207    HB2  ABA  24           HB1      AGL  24 -19.950   9.940   4.518
  208    HG3  ABA  24           HG       AGL  24 -18.891  12.867   4.652
  Start of MODEL   13
    1    H1   PHE   1           HN       PHE   1   1.880   0.699   0.638
    2    HA   PHE   1           HA       PHE   1   3.527  -0.141  -1.581
    3    HB2  PHE   1           HB1      PHE   1   0.829  -1.356  -0.824
    4    HB3  PHE   1           HB2      PHE   1   1.158  -1.090  -2.572
    5    HD1  PHE   1           HD1      PHE   1   1.983  -2.882  -3.707
    6    HD2  PHE   1           HD2      PHE   1   3.040  -2.476   0.439
    7    HE1  PHE   1           HE1      PHE   1   3.259  -4.997  -3.825
    8    HE2  PHE   1           HE2      PHE   1   4.326  -4.579   0.317
    9    HZ   PHE   1           HZ       PHE   1   4.440  -5.849  -1.809
   10    H    LEU   2           HN       LEU   2   3.191   1.011  -3.432
   11    HA   LEU   2           HA       LEU   2   2.755   2.831  -4.639
   12    HB2  LEU   2           HB1      LEU   2  -0.082   1.967  -3.970
   13    HB3  LEU   2           HB2      LEU   2   0.410   2.874  -5.432
   14    HG   LEU   2           HG       LEU   2   1.363   0.026  -4.734
   15   HD11  LEU   2          HD11      LEU   2  -1.097   0.123  -5.138
   16   HD12  LEU   2          HD12      LEU   2  -0.226  -0.760  -6.446
   17   HD13  LEU   2          HD13      LEU   2  -0.802   0.922  -6.727
   18   HD21  LEU   2          HD21      LEU   2   1.593   1.671  -7.340
   19   HD22  LEU   2          HD22      LEU   2   2.067  -0.051  -7.140
   20   HD23  LEU   2          HD23      LEU   2   2.968   1.232  -6.252
   21    HA   PRO   3           HA       PRO   3   1.249   5.321  -0.964
   22    HB2  PRO   3           HB1      PRO   3   3.418   7.024  -0.326
   23    HB3  PRO   3           HB2      PRO   3   3.256   5.320   0.237
   24    HG2  PRO   3           HG1      PRO   3   4.777   6.304  -2.244
   25    HG3  PRO   3           HG2      PRO   3   5.388   5.232  -0.910
   26    HD2  PRO   3           HD1      PRO   3   4.435   4.103  -3.223
   27    HD3  PRO   3           HD2      PRO   3   3.940   3.412  -1.609
   28    H    ILE   4           HN       ILE   4   2.788   6.740  -3.745
   29    HA   ILE   4           HA       ILE   4   1.901   9.317  -3.822
   30    HB   ILE   4           HB       ILE   4   1.996   7.387  -6.174
   31   HG12  ILE   4          HG11      ILE   4   4.125   9.242  -4.932
   32   HG13  ILE   4          HG12      ILE   4   4.133   7.451  -4.850
   33   HG21  ILE   4          HG21      ILE   4   2.093  10.487  -6.015
   34   HG22  ILE   4          HG22      ILE   4   2.308   9.513  -7.513
   35   HG23  ILE   4          HG23      ILE   4   0.730   9.519  -6.684
   36   HD11  ILE   4           HD1      ILE   4   4.297   7.364  -7.391
   37   HD12  ILE   4           HD2      ILE   4   4.453   9.156  -7.404
   38   HD13  ILE   4           HD3      ILE   4   5.707   8.165  -6.589
   39    H    LEU   5           HN       LEU   5  -0.047   6.561  -5.145
   40    HA   LEU   5           HA       LEU   5  -2.073   8.323  -5.940
   41    HB2  LEU   5           HB1      LEU   5  -3.299   6.402  -6.724
   42    HB3  LEU   5           HB2      LEU   5  -1.572   6.280  -7.138
   43    HG   LEU   5           HG       LEU   5  -1.390   4.754  -4.978
   44   HD11  LEU   5          HD11      LEU   5  -4.401   4.502  -5.630
   45   HD12  LEU   5          HD12      LEU   5  -3.703   5.043  -4.059
   46   HD13  LEU   5          HD13      LEU   5  -3.453   3.356  -4.614
   47   HD21  LEU   5          HD21      LEU   5  -2.782   3.856  -7.580
   48   HD22  LEU   5          HD22      LEU   5  -1.934   2.778  -6.412
   49   HD23  LEU   5          HD23      LEU   5  -1.004   4.027  -7.324
   50    H    ALA   6           HN       ALA   6  -1.549   7.080  -2.757
   51    HA   ALA   6           HA       ALA   6  -4.206   6.965  -1.852
   52    HB1  ALA   6           HB1      ALA   6  -3.167   7.333   0.409
   53    HB2  ALA   6           HB2      ALA   6  -2.235   6.132  -0.553
   54    HB3  ALA   6           HB3      ALA   6  -1.623   7.814  -0.393
   55    H    SER   7           HN       SER   7  -1.980   9.735  -2.191
   56    HA   SER   7           HA       SER   7  -3.723  11.710  -1.100
   57    HB2  SER   7           HB1      SER   7  -1.447  12.008  -3.159
   58    HB3  SER   7           HB2      SER   7  -2.285  13.373  -2.333
   59    HG   SER   7           HG1      SER   7  -0.646  11.370  -1.166
   60    H    LEU   8           HN       LEU   8  -3.226  10.488  -4.404
   61    HA   LEU   8           HA       LEU   8  -4.961  12.280  -5.741
   62    HB2  LEU   8           HB1      LEU   8  -3.158  10.903  -6.819
   63    HB3  LEU   8           HB2      LEU   8  -4.032   9.413  -6.360
   64    HG   LEU   8           HG       LEU   8  -5.933  10.082  -7.873
   65   HD11  LEU   8          HD11      LEU   8  -5.549  11.832  -9.598
   66   HD12  LEU   8          HD12      LEU   8  -3.980  12.280  -8.833
   67   HD13  LEU   8          HD13      LEU   8  -5.530  12.562  -7.951
   68   HD21  LEU   8          HD21      LEU   8  -4.734   9.483  -9.964
   69   HD22  LEU   8          HD22      LEU   8  -4.135   8.496  -8.581
   70   HD23  LEU   8          HD23      LEU   8  -3.155   9.882  -9.197
   71    H    ALA   9           HN       ALA   9  -5.492   8.953  -4.457
   72    HA   ALA   9           HA       ALA   9  -8.168   8.724  -5.156
   73    HB1  ALA   9           HB1      ALA   9  -6.571   7.423  -2.865
   74    HB2  ALA   9           HB2      ALA   9  -8.138   6.811  -3.527
   75    HB3  ALA   9           HB3      ALA   9  -6.659   6.819  -4.555
   76    H    ALA  10           HN       ALA  10  -6.742   9.925  -2.032
   77    HA   ALA  10           HA       ALA  10  -9.221  10.306  -0.781
   78    HB1  ALA  10           HB1      ALA  10  -7.006  10.285   0.387
   79    HB2  ALA  10           HB2      ALA  10  -6.560  11.823  -0.429
   80    HB3  ALA  10           HB3      ALA  10  -7.920  11.789   0.763
   81    H    LYS  11           HN       LYS  11  -7.289  12.643  -2.743
   82    HA   LYS  11           HA       LYS  11  -9.176  14.734  -2.391
   83    HB2  LYS  11           HB1      LYS  11  -6.767  15.109  -2.915
   84    HB3  LYS  11           HB2      LYS  11  -7.010  14.365  -4.520
   85    HG2  LYS  11           HG1      LYS  11  -8.762  16.179  -4.994
   86    HG3  LYS  11           HG2      LYS  11  -8.309  16.971  -3.457
   87    HD2  LYS  11           HD1      LYS  11  -6.081  17.479  -4.263
   88    HD3  LYS  11           HD2      LYS  11  -6.211  16.328  -5.618
   89    HE2  LYS  11           HE1      LYS  11  -7.775  18.992  -5.349
   90    HE3  LYS  11           HE2      LYS  11  -6.395  18.654  -6.471
   91    HZ1  LYS  11           HZ1      LYS  11  -7.783  16.887  -7.461
   92    HZ2  LYS  11           HZ2      LYS  11  -8.475  18.421  -7.635
   93    HZ3  LYS  11           HZ3      LYS  11  -9.067  17.327  -6.478
   94    H    PHE  12           HN       PHE  12  -8.785  12.379  -5.130
   95    HA   PHE  12           HA       PHE  12 -11.001  13.774  -6.498
   96    HB2  PHE  12           HB1      PHE  12  -8.861  11.791  -7.456
   97    HB3  PHE  12           HB2      PHE  12 -10.251  12.301  -8.468
   98    HD1  PHE  12           HD1      PHE  12  -7.163  13.531  -6.774
   99    HD2  PHE  12           HD2      PHE  12 -10.295  14.382  -9.570
  100    HE1  PHE  12           HE1      PHE  12  -5.764  15.305  -7.790
  101    HE2  PHE  12           HE2      PHE  12  -8.936  16.196 -10.555
  102    HZ   PHE  12           HZ       PHE  12  -6.641  16.625  -9.712
  103    H    GLY  13           HN       GLY  13 -10.656  11.088  -4.434
  104    HA2  GLY  13           HA1      GLY  13 -13.155   9.932  -5.539
  105    HA3  GLY  13           HA2      GLY  13 -11.820   9.016  -4.766
  106    HA   PRO  14           HA       PRO  14 -13.273  11.193  -0.986
  107    HB2  PRO  14           HB1      PRO  14 -15.241  13.181  -0.894
  108    HB3  PRO  14           HB2      PRO  14 -13.543  13.517  -1.408
  109    HG2  PRO  14           HG1      PRO  14 -15.918  12.867  -3.257
  110    HG3  PRO  14           HG2      PRO  14 -14.815  14.307  -3.330
  111    HD2  PRO  14           HD1      PRO  14 -14.285  12.104  -4.880
  112    HD3  PRO  14           HD2      PRO  14 -12.938  12.945  -3.991
  113    H    LYS  15           HN       LYS  15 -15.573  10.080  -3.197
  114    HA   LYS  15           HA       LYS  15 -17.747   9.372  -1.548
  115    HB2  LYS  15           HB1      LYS  15 -17.618   9.446  -4.081
  116    HB3  LYS  15           HB2      LYS  15 -16.607   7.973  -4.047
  117    HG2  LYS  15           HG1      LYS  15 -18.538   6.690  -3.064
  118    HG3  LYS  15           HG2      LYS  15 -19.507   8.199  -3.011
  119    HD2  LYS  15           HD1      LYS  15 -19.217   8.443  -5.510
  120    HD3  LYS  15           HD2      LYS  15 -18.344   6.876  -5.544
  121    HE2  LYS  15           HE1      LYS  15 -20.429   5.694  -4.748
  122    HE3  LYS  15           HE2      LYS  15 -21.299   7.280  -4.685
  123    HZ1  LYS  15           HZ1      LYS  15 -20.888   7.531  -7.057
  124    HZ2  LYS  15           HZ2      LYS  15 -21.735   6.098  -6.746
  125    HZ3  LYS  15           HZ3      LYS  15 -20.083   6.048  -7.117
  126    H    LEU  16           HN       LEU  16 -14.680   7.596  -2.308
  127    HA   LEU  16           HA       LEU  16 -15.326   5.360  -0.624
  128    HB2  LEU  16           HB1      LEU  16 -12.708   6.431  -1.824
  129    HB3  LEU  16           HB2      LEU  16 -12.768   4.972  -0.790
  130    HG   LEU  16           HG       LEU  16 -14.289   5.258  -3.439
  131   HD11  LEU  16          HD11      LEU  16 -12.538   3.708  -4.337
  132   HD12  LEU  16          HD12      LEU  16 -11.665   3.778  -2.765
  133   HD13  LEU  16          HD13      LEU  16 -11.811   5.262  -3.777
  134   HD21  LEU  16          HD21      LEU  16 -14.515   2.746  -3.219
  135   HD22  LEU  16          HD22      LEU  16 -15.380   3.612  -1.897
  136   HD23  LEU  16          HD23      LEU  16 -13.782   2.839  -1.580
  137    H    PHE  17           HN       PHE  17 -13.549   8.416  -0.203
  138    HA   PHE  17           HA       PHE  17 -12.423   7.835   2.261
  139    HB2  PHE  17           HB1      PHE  17 -12.163   9.825   0.432
  140    HB3  PHE  17           HB2      PHE  17 -13.250  10.705   1.558
  141    HD1  PHE  17           HD1      PHE  17 -12.181  11.840   3.353
  142    HD2  PHE  17           HD2      PHE  17 -10.134   8.589   1.430
  143    HE1  PHE  17           HE1      PHE  17 -10.130  12.366   4.640
  144    HE2  PHE  17           HE2      PHE  17  -8.090   9.106   2.726
  145    HZ   PHE  17           HZ       PHE  17  -8.084  11.000   4.328
  146    H2   ABA  18           HN       AGL  18 -15.560   9.481   1.584
  147    HA   ABA  18           HA       AGL  18 -16.312   9.719   4.276
  148    HB3  ABA  18           HB2      AGL  18 -18.712   9.315   2.648
  149    HB2  ABA  18           HB1      AGL  18 -17.521  10.110   1.611
  150    HG3  ABA  18           HG       AGL  18 -17.275  12.031   3.188
  151    H    LEU  19           HN       LEU  19 -16.772   6.953   2.055
  152    HA   LEU  19           HA       LEU  19 -18.402   5.473   3.835
  153    HB2  LEU  19           HB1      LEU  19 -16.594   4.651   1.508
  154    HB3  LEU  19           HB2      LEU  19 -17.610   3.476   2.401
  155    HG   LEU  19           HG       LEU  19 -18.756   5.933   0.970
  156   HD11  LEU  19          HD11      LEU  19 -17.631   4.441  -0.668
  157   HD12  LEU  19          HD12      LEU  19 -19.426   4.341  -0.840
  158   HD13  LEU  19          HD13      LEU  19 -18.522   3.016  -0.008
  159   HD21  LEU  19          HD21      LEU  19 -20.071   3.363   2.070
  160   HD22  LEU  19          HD22      LEU  19 -20.913   4.648   1.127
  161   HD23  LEU  19          HD23      LEU  19 -20.247   5.020   2.758
  162    H    VAL  20           HN       VAL  20 -14.773   5.378   3.397
  163    HA   VAL  20           HA       VAL  20 -14.538   3.314   5.316
  164    HB   VAL  20           HB       VAL  20 -12.152   3.726   5.411
  165   HG11  VAL  20          HG11      VAL  20 -13.341   3.773   2.555
  166   HG12  VAL  20          HG12      VAL  20 -11.724   3.155   3.037
  167   HG13  VAL  20          HG13      VAL  20 -13.210   2.319   3.618
  168   HG21  VAL  20          HG21      VAL  20 -12.065   6.231   5.207
  169   HG22  VAL  20          HG22      VAL  20 -11.126   5.446   3.894
  170   HG23  VAL  20          HG23      VAL  20 -12.756   6.117   3.543
  171    H    THR  21           HN       THR  21 -14.248   6.885   5.749
  172    HA   THR  21           HA       THR  21 -13.776   6.750   8.512
  173    HB   THR  21           HB       THR  21 -15.205   9.009   7.055
  174    HG1  THR  21           HG1      THR  21 -12.442   8.747   7.576
  175   HG21  THR  21          HG21      THR  21 -14.107  10.402   8.854
  176   HG22  THR  21          HG22      THR  21 -13.414   8.920   9.602
  177   HG23  THR  21          HG23      THR  21 -15.191   9.183   9.611
  178    H    LYS  22           HN       LYS  22 -16.710   6.386   6.660
  179    HA   LYS  22           HA       LYS  22 -18.847   6.261   7.019
  180    HB2  LYS  22           HB1      LYS  22 -18.191   5.334   9.849
  181    HB3  LYS  22           HB2      LYS  22 -19.686   4.969   8.953
  182    HG2  LYS  22           HG1      LYS  22 -18.642   3.415   7.504
  183    HG3  LYS  22           HG2      LYS  22 -17.005   4.027   7.779
  184    HD2  LYS  22           HD1      LYS  22 -18.676   2.398   9.773
  185    HD3  LYS  22           HD2      LYS  22 -17.263   1.859   8.826
  186    HE2  LYS  22           HE1      LYS  22 -17.331   3.734  11.259
  187    HE3  LYS  22           HE2      LYS  22 -16.395   2.212  11.016
  188    HZ1  LYS  22           HZ1      LYS  22 -15.920   4.919   9.935
  189    HZ2  LYS  22           HZ2      LYS  22 -15.262   3.609   9.132
  190    HZ3  LYS  22           HZ3      LYS  22 -14.847   3.904  10.751
  191    H    LYS  23           HN       LYS  23 -17.525   8.855   7.942
  192    HA   LYS  23           HA       LYS  23 -19.503   9.742   9.939
  193    HB2  LYS  23           HB1      LYS  23 -17.083  10.092  10.300
  194    HB3  LYS  23           HB2      LYS  23 -16.991  11.152   8.866
  195    HG2  LYS  23           HG1      LYS  23 -19.006  11.764  11.083
  196    HG3  LYS  23           HG2      LYS  23 -17.281  12.033  11.440
  197    HD2  LYS  23           HD1      LYS  23 -16.991  13.774   9.958
  198    HD3  LYS  23           HD2      LYS  23 -18.237  13.210   8.824
  199    HE2  LYS  23           HE1      LYS  23 -18.819  14.588  11.539
  200    HE3  LYS  23           HE2      LYS  23 -18.913  15.341   9.896
  201    HZ1  LYS  23           HZ1      LYS  23 -20.701  13.400  11.169
  202    HZ2  LYS  23           HZ2      LYS  23 -20.433  13.220   9.522
  203    HZ3  LYS  23           HZ3      LYS  23 -21.054  14.685  10.113
  204    H2   ABA  24           HN       AGL  24 -19.355   9.567   6.582
  205    HA   ABA  24           HA       AGL  24 -20.838  12.039   6.097
  206    HB3  ABA  24           HB2      AGL  24 -21.138  10.988   3.758
  207    HB2  ABA  24           HB1      AGL  24 -20.089   9.645   4.315
  208    HG3  ABA  24           HG       AGL  24 -19.158  12.620   4.516
  Start of MODEL   14
    1    H1   PHE   1           HN       PHE   1  -1.315   0.089  -1.989
    2    HA   PHE   1           HA       PHE   1   0.939  -0.908  -2.198
    3    HB2  PHE   1           HB1      PHE   1  -0.174   0.390  -4.783
    4    HB3  PHE   1           HB2      PHE   1   0.946  -1.024  -4.728
    5    HD1  PHE   1           HD1      PHE   1   0.120  -3.090  -3.344
    6    HD2  PHE   1           HD2      PHE   1  -2.478  -0.001  -4.821
    7    HE1  PHE   1           HE1      PHE   1  -1.809  -4.641  -3.201
    8    HE2  PHE   1           HE2      PHE   1  -4.404  -1.553  -4.681
    9    HZ   PHE   1           HZ       PHE   1  -4.070  -3.873  -3.874
   10    H    LEU   2           HN       LEU   2   0.570   2.467  -3.224
   11    HA   LEU   2           HA       LEU   2   3.405   2.875  -2.736
   12    HB2  LEU   2           HB1      LEU   2   2.034   3.819  -5.336
   13    HB3  LEU   2           HB2      LEU   2   3.617   4.411  -4.734
   14    HG   LEU   2           HG       LEU   2   4.126   1.724  -4.746
   15   HD11  LEU   2          HD11      LEU   2   3.245   0.732  -6.855
   16   HD12  LEU   2          HD12      LEU   2   2.249   2.206  -7.158
   17   HD13  LEU   2          HD13      LEU   2   1.891   1.149  -5.745
   18   HD21  LEU   2          HD21      LEU   2   5.336   2.120  -6.885
   19   HD22  LEU   2          HD22      LEU   2   5.547   3.500  -5.746
   20   HD23  LEU   2          HD23      LEU   2   4.411   3.644  -7.145
   21    HA   PRO   3           HA       PRO   3   1.199   5.906  -0.603
   22    HB2  PRO   3           HB1      PRO   3   3.129   7.870   0.057
   23    HB3  PRO   3           HB2      PRO   3   3.088   6.205   0.746
   24    HG2  PRO   3           HG1      PRO   3   4.706   7.236  -1.661
   25    HG3  PRO   3           HG2      PRO   3   5.330   6.290  -0.232
   26    HD2  PRO   3           HD1      PRO   3   4.715   4.981  -2.560
   27    HD3  PRO   3           HD2      PRO   3   4.218   4.277  -0.948
   28    H    ILE   4           HN       ILE   4   2.869   7.208  -3.344
   29    HA   ILE   4           HA       ILE   4   1.848   9.695  -3.745
   30    HB   ILE   4           HB       ILE   4   2.266   7.634  -5.958
   31   HG12  ILE   4          HG11      ILE   4   4.213   9.583  -4.616
   32   HG13  ILE   4          HG12      ILE   4   4.240   7.812  -4.416
   33   HG21  ILE   4          HG21      ILE   4   2.312  10.721  -5.931
   34   HG22  ILE   4          HG22      ILE   4   2.634   9.690  -7.367
   35   HG23  ILE   4          HG23      ILE   4   1.002   9.720  -6.659
   36   HD11  ILE   4           HD1      ILE   4   4.794   9.344  -7.028
   37   HD12  ILE   4           HD2      ILE   4   5.962   8.393  -6.050
   38   HD13  ILE   4           HD3      ILE   4   4.624   7.557  -6.918
   39    H    LEU   5           HN       LEU   5   0.296   6.832  -5.075
   40    HA   LEU   5           HA       LEU   5  -1.967   8.188  -6.028
   41    HB2  LEU   5           HB1      LEU   5  -2.895   5.984  -6.591
   42    HB3  LEU   5           HB2      LEU   5  -1.167   6.169  -7.012
   43    HG   LEU   5           HG       LEU   5  -0.741   5.014  -4.634
   44   HD11  LEU   5          HD11      LEU   5  -3.539   3.932  -5.404
   45   HD12  LEU   5          HD12      LEU   5  -3.154   4.874  -3.916
   46   HD13  LEU   5          HD13      LEU   5  -2.434   3.242  -4.143
   47   HD21  LEU   5          HD21      LEU   5  -1.679   3.461  -7.128
   48   HD22  LEU   5          HD22      LEU   5  -0.650   2.821  -5.780
   49   HD23  LEU   5          HD23      LEU   5  -0.022   4.130  -6.854
   50    H    ALA   6           HN       ALA   6  -1.447   7.100  -2.757
   51    HA   ALA   6           HA       ALA   6  -4.142   6.917  -1.954
   52    HB1  ALA   6           HB1      ALA   6  -2.173   6.165  -0.594
   53    HB2  ALA   6           HB2      ALA   6  -1.719   7.893  -0.349
   54    HB3  ALA   6           HB3      ALA   6  -3.269   7.268   0.332
   55    H    SER   7           HN       SER   7  -1.982   9.826  -2.017
   56    HA   SER   7           HA       SER   7  -3.898  11.673  -1.128
   57    HB2  SER   7           HB1      SER   7  -1.540  12.107  -3.046
   58    HB3  SER   7           HB2      SER   7  -2.456  13.418  -2.204
   59    HG   SER   7           HG1      SER   7  -0.502  12.745  -1.123
   60    H    LEU   8           HN       LEU   8  -3.132  10.518  -4.410
   61    HA   LEU   8           HA       LEU   8  -4.906  12.222  -5.798
   62    HB2  LEU   8           HB1      LEU   8  -2.944  10.864  -6.746
   63    HB3  LEU   8           HB2      LEU   8  -3.946   9.402  -6.552
   64    HG   LEU   8           HG       LEU   8  -5.667  10.502  -8.116
   65   HD11  LEU   8          HD11      LEU   8  -3.320  12.440  -8.641
   66   HD12  LEU   8          HD12      LEU   8  -4.901  12.891  -7.901
   67   HD13  LEU   8          HD13      LEU   8  -4.829  12.326  -9.611
   68   HD21  LEU   8          HD21      LEU   8  -2.844   9.965  -9.233
   69   HD22  LEU   8          HD22      LEU   8  -4.382   9.936 -10.172
   70   HD23  LEU   8          HD23      LEU   8  -4.102   8.719  -8.871
   71    H    ALA   9           HN       ALA   9  -5.339   8.901  -4.506
   72    HA   ALA   9           HA       ALA   9  -7.978   8.512  -5.298
   73    HB1  ALA   9           HB1      ALA   9  -6.452   7.396  -2.865
   74    HB2  ALA   9           HB2      ALA   9  -7.958   6.699  -3.568
   75    HB3  ALA   9           HB3      ALA   9  -6.430   6.701  -4.519
   76    H    ALA  10           HN       ALA  10  -6.742   9.981  -2.203
   77    HA   ALA  10           HA       ALA  10  -9.307  10.437  -1.137
   78    HB1  ALA  10           HB1      ALA  10  -8.124  12.111   0.314
   79    HB2  ALA  10           HB2      ALA  10  -7.176  10.589   0.173
   80    HB3  ALA  10           HB3      ALA  10  -6.693  12.030  -0.781
   81    H    LYS  11           HN       LYS  11  -7.274  12.526  -3.218
   82    HA   LYS  11           HA       LYS  11  -9.022  14.703  -3.312
   83    HB2  LYS  11           HB1      LYS  11  -6.704  15.005  -3.813
   84    HB3  LYS  11           HB2      LYS  11  -6.721  13.689  -5.019
   85    HG2  LYS  11           HG1      LYS  11  -6.477  15.866  -6.133
   86    HG3  LYS  11           HG2      LYS  11  -7.955  14.996  -6.617
   87    HD2  LYS  11           HD1      LYS  11  -9.054  16.569  -4.650
   88    HD3  LYS  11           HD2      LYS  11  -7.640  17.583  -5.011
   89    HE2  LYS  11           HE1      LYS  11  -9.671  18.289  -6.316
   90    HE3  LYS  11           HE2      LYS  11  -8.376  17.710  -7.440
   91    HZ1  LYS  11           HZ1      LYS  11 -10.797  16.834  -7.703
   92    HZ2  LYS  11           HZ2      LYS  11 -10.372  15.804  -6.427
   93    HZ3  LYS  11           HZ3      LYS  11  -9.480  15.765  -7.854
   94    H    PHE  12           HN       PHE  12  -8.905  11.887  -5.580
   95    HA   PHE  12           HA       PHE  12 -11.229  13.087  -6.992
   96    HB2  PHE  12           HB1      PHE  12  -9.077  11.068  -7.839
   97    HB3  PHE  12           HB2      PHE  12 -10.582  11.331  -8.795
   98    HD1  PHE  12           HD1      PHE  12  -7.297  12.654  -8.031
   99    HD2  PHE  12           HD2      PHE  12 -11.151  13.598  -9.654
  100    HE1  PHE  12           HE1      PHE  12  -6.325  14.627  -9.186
  101    HE2  PHE  12           HE2      PHE  12 -10.186  15.565 -10.819
  102    HZ   PHE  12           HZ       PHE  12  -7.772  16.083 -10.576
  103    H    GLY  13           HN       GLY  13 -10.742  10.718  -4.603
  104    HA2  GLY  13           HA1      GLY  13 -13.151   9.262  -5.537
  105    HA3  GLY  13           HA2      GLY  13 -11.768   8.594  -4.625
  106    HA   PRO  14           HA       PRO  14 -13.706  10.938  -1.154
  107    HB2  PRO  14           HB1      PRO  14 -15.877  12.688  -1.402
  108    HB3  PRO  14           HB2      PRO  14 -14.181  13.179  -1.767
  109    HG2  PRO  14           HG1      PRO  14 -16.270  12.161  -3.782
  110    HG3  PRO  14           HG2      PRO  14 -15.306  13.694  -3.862
  111    HD2  PRO  14           HD1      PRO  14 -14.430  11.448  -5.180
  112    HD3  PRO  14           HD2      PRO  14 -13.250  12.478  -4.254
  113    H    LYS  15           HN       LYS  15 -15.641   9.348  -3.428
  114    HA   LYS  15           HA       LYS  15 -17.840   8.483  -1.863
  115    HB2  LYS  15           HB1      LYS  15 -17.546   8.153  -4.376
  116    HB3  LYS  15           HB2      LYS  15 -16.244   6.962  -4.021
  117    HG2  LYS  15           HG1      LYS  15 -18.048   5.662  -2.653
  118    HG3  LYS  15           HG2      LYS  15 -19.266   6.698  -3.423
  119    HD2  LYS  15           HD1      LYS  15 -17.238   4.847  -4.900
  120    HD3  LYS  15           HD2      LYS  15 -18.868   4.386  -4.373
  121    HE2  LYS  15           HE1      LYS  15 -19.197   4.796  -6.647
  122    HE3  LYS  15           HE2      LYS  15 -19.832   6.288  -5.854
  123    HZ1  LYS  15           HZ1      LYS  15 -17.697   7.346  -6.358
  124    HZ2  LYS  15           HZ2      LYS  15 -18.461   6.783  -7.766
  125    HZ3  LYS  15           HZ3      LYS  15 -17.151   5.930  -7.121
  126    H    LEU  16           HN       LEU  16 -14.470   7.195  -2.163
  127    HA   LEU  16           HA       LEU  16 -14.928   5.020  -0.356
  128    HB2  LEU  16           HB1      LEU  16 -12.347   6.367  -1.349
  129    HB3  LEU  16           HB2      LEU  16 -12.408   4.849  -0.397
  130    HG   LEU  16           HG       LEU  16 -13.618   5.232  -3.201
  131   HD11  LEU  16          HD11      LEU  16 -11.720   3.793  -3.956
  132   HD12  LEU  16          HD12      LEU  16 -11.064   3.768  -2.279
  133   HD13  LEU  16          HD13      LEU  16 -11.121   5.318  -3.199
  134   HD21  LEU  16          HD21      LEU  16 -13.807   2.712  -3.171
  135   HD22  LEU  16          HD22      LEU  16 -14.861   3.477  -1.925
  136   HD23  LEU  16          HD23      LEU  16 -13.300   2.709  -1.445
  137    H    PHE  17           HN       PHE  17 -13.623   8.322  -0.073
  138    HA   PHE  17           HA       PHE  17 -12.658   8.119   2.515
  139    HB2  PHE  17           HB1      PHE  17 -12.496   9.985   0.569
  140    HB3  PHE  17           HB2      PHE  17 -13.812  10.772   1.508
  141    HD1  PHE  17           HD1      PHE  17 -13.335  11.104   4.077
  142    HD2  PHE  17           HD2      PHE  17 -10.280  10.140   1.207
  143    HE1  PHE  17           HE1      PHE  17 -11.608  11.941   5.632
  144    HE2  PHE  17           HE2      PHE  17  -8.551  10.981   2.768
  145    HZ   PHE  17           HZ       PHE  17  -9.213  11.888   4.980
  146    H2   ABA  18           HN       AGL  18 -15.945   9.143   1.436
  147    HA   ABA  18           HA       AGL  18 -17.029   9.581   3.982
  148    HB3  ABA  18           HB2      AGL  18 -18.214   8.670   1.303
  149    HB2  ABA  18           HB1      AGL  18 -18.131  10.329   1.923
  150    HG3  ABA  18           HG       AGL  18 -20.137   8.119   2.620
  151    H    LEU  19           HN       LEU  19 -16.798   6.490   2.121
  152    HA   LEU  19           HA       LEU  19 -18.257   4.999   4.041
  153    HB2  LEU  19           HB1      LEU  19 -16.279   4.152   1.864
  154    HB3  LEU  19           HB2      LEU  19 -17.275   2.999   2.809
  155    HG   LEU  19           HG       LEU  19 -18.441   5.232   1.050
  156   HD11  LEU  19          HD11      LEU  19 -18.958   3.423  -0.586
  157   HD12  LEU  19          HD12      LEU  19 -18.081   2.232   0.447
  158   HD13  LEU  19          HD13      LEU  19 -17.179   3.591  -0.325
  159   HD21  LEU  19          HD21      LEU  19 -20.565   3.906   1.242
  160   HD22  LEU  19          HD22      LEU  19 -20.013   4.512   2.843
  161   HD23  LEU  19          HD23      LEU  19 -19.753   2.785   2.395
  162    H    VAL  20           HN       VAL  20 -14.653   5.371   3.645
  163    HA   VAL  20           HA       VAL  20 -14.173   3.541   5.754
  164    HB   VAL  20           HB       VAL  20 -11.859   4.219   5.764
  165   HG11  VAL  20          HG11      VAL  20 -12.760   2.570   4.095
  166   HG12  VAL  20          HG12      VAL  20 -13.043   3.913   2.924
  167   HG13  VAL  20          HG13      VAL  20 -11.370   3.511   3.442
  168   HG21  VAL  20          HG21      VAL  20 -12.753   6.402   3.766
  169   HG22  VAL  20          HG22      VAL  20 -12.025   6.681   5.390
  170   HG23  VAL  20          HG23      VAL  20 -11.048   5.927   4.088
  171    H    THR  21           HN       THR  21 -14.360   7.143   5.832
  172    HA   THR  21           HA       THR  21 -13.787   7.163   8.646
  173    HB   THR  21           HB       THR  21 -14.970   9.433   6.991
  174    HG1  THR  21           HG1      THR  21 -12.248   8.861   7.480
  175   HG21  THR  21          HG21      THR  21 -13.147   9.363   9.515
  176   HG22  THR  21          HG22      THR  21 -14.878   9.857   9.502
  177   HG23  THR  21          HG23      THR  21 -13.658  10.844   8.628
  178    H    LYS  22           HN       LYS  22 -16.587   6.507   6.842
  179    HA   LYS  22           HA       LYS  22 -18.747   6.322   7.158
  180    HB2  LYS  22           HB1      LYS  22 -17.918   5.899  10.080
  181    HB3  LYS  22           HB2      LYS  22 -19.461   5.347   9.381
  182    HG2  LYS  22           HG1      LYS  22 -18.494   3.606   8.150
  183    HG3  LYS  22           HG2      LYS  22 -16.867   4.330   8.113
  184    HD2  LYS  22           HD1      LYS  22 -18.142   3.301  10.705
  185    HD3  LYS  22           HD2      LYS  22 -17.122   2.301   9.608
  186    HE2  LYS  22           HE1      LYS  22 -15.204   3.904   9.857
  187    HE3  LYS  22           HE2      LYS  22 -16.186   4.925  10.982
  188    HZ1  LYS  22           HZ1      LYS  22 -16.351   3.027  12.465
  189    HZ2  LYS  22           HZ2      LYS  22 -14.729   3.432  12.156
  190    HZ3  LYS  22           HZ3      LYS  22 -15.424   2.077  11.403
  191    H    LYS  23           HN       LYS  23 -17.724   9.129   7.607
  192    HA   LYS  23           HA       LYS  23 -19.793  10.100   9.506
  193    HB2  LYS  23           HB1      LYS  23 -17.004  10.318   9.554
  194    HB3  LYS  23           HB2      LYS  23 -17.497  11.922   8.952
  195    HG2  LYS  23           HG1      LYS  23 -18.438  10.505  11.536
  196    HG3  LYS  23           HG2      LYS  23 -17.204  11.796  11.430
  197    HD2  LYS  23           HD1      LYS  23 -18.959  13.369  10.518
  198    HD3  LYS  23           HD2      LYS  23 -20.191  12.087  10.741
  199    HE2  LYS  23           HE1      LYS  23 -19.714  12.063  13.233
  200    HE3  LYS  23           HE2      LYS  23 -18.514  13.400  12.997
  201    HZ1  LYS  23           HZ1      LYS  23 -20.306  14.752  12.090
  202    HZ2  LYS  23           HZ2      LYS  23 -20.665  14.239  13.667
  203    HZ3  LYS  23           HZ3      LYS  23 -21.421  13.502  12.339
  204    H2   ABA  24           HN       AGL  24 -19.510   9.957   6.203
  205    HA   ABA  24           HA       AGL  24 -19.982  12.738   5.636
  206    HB3  ABA  24           HB2      AGL  24 -18.799  11.424   3.993
  207    HB2  ABA  24           HB1      AGL  24 -20.304  12.094   3.314
  208    HG3  ABA  24           HG       AGL  24 -21.361   9.655   3.946
  Start of MODEL   15
    1    H1   PHE   1           HN       PHE   1   1.306  -0.185  -0.926
    2    HA   PHE   1           HA       PHE   1   3.954   0.150  -1.703
    3    HB2  PHE   1           HB1      PHE   1   2.225  -1.766  -3.391
    4    HB3  PHE   1           HB2      PHE   1   3.628  -0.893  -4.108
    5    HD1  PHE   1           HD1      PHE   1   5.919  -1.217  -3.174
    6    HD2  PHE   1           HD2      PHE   1   2.609  -3.680  -1.991
    7    HE1  PHE   1           HE1      PHE   1   7.499  -2.933  -2.343
    8    HE2  PHE   1           HE2      PHE   1   4.182  -5.405  -1.165
    9    HZ   PHE   1           HZ       PHE   1   6.636  -5.036  -1.351
   10    H    LEU   2           HN       LEU   2   3.848   1.218  -4.031
   11    HA   LEU   2           HA       LEU   2   3.391   3.089  -5.079
   12    HB2  LEU   2           HB1      LEU   2   1.854   1.259  -5.957
   13    HB3  LEU   2           HB2      LEU   2   0.528   2.068  -5.087
   14    HG   LEU   2           HG       LEU   2   1.007   4.162  -6.492
   15   HD11  LEU   2          HD11      LEU   2   2.305   3.840  -8.624
   16   HD12  LEU   2          HD12      LEU   2   2.841   2.224  -8.056
   17   HD13  LEU   2          HD13      LEU   2   3.379   3.722  -7.189
   18   HD21  LEU   2          HD21      LEU   2  -0.091   3.248  -8.532
   19   HD22  LEU   2          HD22      LEU   2  -0.814   2.552  -7.036
   20   HD23  LEU   2          HD23      LEU   2   0.335   1.574  -8.024
   21    HA   PRO   3           HA       PRO   3   1.319   4.933  -1.351
   22    HB2  PRO   3           HB1      PRO   3   3.258   6.679  -0.286
   23    HB3  PRO   3           HB2      PRO   3   3.283   4.895  -0.037
   24    HG2  PRO   3           HG1      PRO   3   4.754   6.478  -2.223
   25    HG3  PRO   3           HG2      PRO   3   5.467   5.291  -1.051
   26    HD2  PRO   3           HD1      PRO   3   4.748   4.474  -3.571
   27    HD3  PRO   3           HD2      PRO   3   4.320   3.433  -2.133
   28    H    ILE   4           HN       ILE   4   2.597   6.578  -4.007
   29    HA   ILE   4           HA       ILE   4   1.622   9.120  -3.996
   30    HB   ILE   4           HB       ILE   4   1.433   7.163  -6.322
   31   HG12  ILE   4          HG11      ILE   4   3.715   7.012  -5.496
   32   HG13  ILE   4          HG12      ILE   4   3.668   7.979  -6.990
   33   HG21  ILE   4          HG21      ILE   4   1.609  10.250  -6.151
   34   HG22  ILE   4          HG22      ILE   4   1.732   9.295  -7.670
   35   HG23  ILE   4          HG23      ILE   4   0.203   9.285  -6.732
   36   HD11  ILE   4           HD1      ILE   4   5.232   9.014  -5.366
   37   HD12  ILE   4           HD2      ILE   4   3.835  10.109  -5.635
   38   HD13  ILE   4           HD3      ILE   4   3.936   9.131  -4.125
   39    H    LEU   5           HN       LEU   5  -0.324   6.240  -5.016
   40    HA   LEU   5           HA       LEU   5  -2.455   7.785  -5.832
   41    HB2  LEU   5           HB1      LEU   5  -3.514   5.927  -6.529
   42    HB3  LEU   5           HB2      LEU   5  -1.839   5.320  -6.465
   43    HG   LEU   5           HG       LEU   5  -4.030   4.845  -4.332
   44   HD11  LEU   5          HD11      LEU   5  -2.980   2.985  -6.545
   45   HD12  LEU   5          HD12      LEU   5  -4.597   3.786  -6.501
   46   HD13  LEU   5          HD13      LEU   5  -4.168   2.551  -5.260
   47   HD21  LEU   5          HD21      LEU   5  -1.304   3.448  -4.673
   48   HD22  LEU   5          HD22      LEU   5  -2.553   3.067  -3.440
   49   HD23  LEU   5          HD23      LEU   5  -1.682   4.640  -3.377
   50    H    ALA   6           HN       ALA   6  -1.824   6.780  -2.546
   51    HA   ALA   6           HA       ALA   6  -4.421   6.971  -1.510
   52    HB1  ALA   6           HB1      ALA   6  -1.695   7.690  -0.258
   53    HB2  ALA   6           HB2      ALA   6  -3.221   7.399   0.663
   54    HB3  ALA   6           HB3      ALA   6  -2.453   6.060  -0.261
   55    H    SER   7           HN       SER   7  -2.020   9.532  -2.198
   56    HA   SER   7           HA       SER   7  -3.548  11.683  -1.104
   57    HB2  SER   7           HB1      SER   7  -1.348  11.677  -3.257
   58    HB3  SER   7           HB2      SER   7  -2.078  13.165  -2.553
   59    HG   SER   7           HG1      SER   7  -0.477  11.216  -1.284
   60    H    LEU   8           HN       LEU   8  -3.355  10.223  -4.342
   61    HA   LEU   8           HA       LEU   8  -5.058  12.060  -5.664
   62    HB2  LEU   8           HB1      LEU   8  -3.389  10.454  -6.728
   63    HB3  LEU   8           HB2      LEU   8  -4.447   9.098  -6.243
   64    HG   LEU   8           HG       LEU   8  -6.292  10.162  -7.700
   65   HD11  LEU   8          HD11      LEU   8  -3.902  11.801  -8.778
   66   HD12  LEU   8          HD12      LEU   8  -5.303  12.489  -7.873
   67   HD13  LEU   8          HD13      LEU   8  -5.554  11.730  -9.485
   68   HD21  LEU   8          HD21      LEU   8  -3.671   9.275  -9.063
   69   HD22  LEU   8          HD22      LEU   8  -5.313   9.246  -9.798
   70   HD23  LEU   8          HD23      LEU   8  -4.940   8.178  -8.396
   71    H    ALA   9           HN       ALA   9  -5.696   8.838  -4.177
   72    HA   ALA   9           HA       ALA   9  -8.408   8.686  -4.674
   73    HB1  ALA   9           HB1      ALA   9  -6.939   6.782  -3.962
   74    HB2  ALA   9           HB2      ALA   9  -6.747   7.540  -2.344
   75    HB3  ALA   9           HB3      ALA   9  -8.366   6.932  -2.871
   76    H    ALA  10           HN       ALA  10  -6.719  10.260  -1.942
   77    HA   ALA  10           HA       ALA  10  -9.054  10.859  -0.485
   78    HB1  ALA  10           HB1      ALA  10  -6.299  12.226  -0.544
   79    HB2  ALA  10           HB2      ALA  10  -7.535  12.382   0.780
   80    HB3  ALA  10           HB3      ALA  10  -6.739  10.800   0.457
   81    H    LYS  11           HN       LYS  11  -8.030  12.230  -3.481
   82    HA   LYS  11           HA       LYS  11  -9.737  14.626  -3.004
   83    HB2  LYS  11           HB1      LYS  11  -7.210  14.159  -4.614
   84    HB3  LYS  11           HB2      LYS  11  -8.435  15.252  -5.321
   85    HG2  LYS  11           HG1      LYS  11  -6.770  16.557  -4.114
   86    HG3  LYS  11           HG2      LYS  11  -8.404  16.734  -3.399
   87    HD2  LYS  11           HD1      LYS  11  -7.797  15.066  -1.630
   88    HD3  LYS  11           HD2      LYS  11  -6.135  14.950  -2.302
   89    HE2  LYS  11           HE1      LYS  11  -5.720  17.340  -1.655
   90    HE3  LYS  11           HE2      LYS  11  -7.466  17.535  -1.204
   91    HZ1  LYS  11           HZ1      LYS  11  -7.176  15.788   0.428
   92    HZ2  LYS  11           HZ2      LYS  11  -6.134  17.092   0.744
   93    HZ3  LYS  11           HZ3      LYS  11  -5.533  15.655   0.055
   94    H    PHE  12           HN       PHE  12  -8.990  12.018  -5.403
   95    HA   PHE  12           HA       PHE  12 -11.352  12.825  -6.922
   96    HB2  PHE  12           HB1      PHE  12  -9.020  10.870  -7.413
   97    HB3  PHE  12           HB2      PHE  12 -10.439  10.988  -8.519
   98    HD1  PHE  12           HD1      PHE  12  -7.556  12.929  -7.110
   99    HD2  PHE  12           HD2      PHE  12 -10.706  12.778 -10.027
  100    HE1  PHE  12           HE1      PHE  12  -6.553  14.860  -8.294
  101    HE2  PHE  12           HE2      PHE  12  -9.694  14.695 -11.218
  102    HZ   PHE  12           HZ       PHE  12  -7.622  15.742 -10.353
  103    H    GLY  13           HN       GLY  13 -10.827  10.771  -4.308
  104    HA2  GLY  13           HA1      GLY  13 -13.138   9.082  -5.096
  105    HA3  GLY  13           HA2      GLY  13 -11.778   8.594  -4.038
  106    HA   PRO  14           HA       PRO  14 -13.971  11.336  -0.967
  107    HB2  PRO  14           HB1      PRO  14 -16.123  13.005  -1.604
  108    HB3  PRO  14           HB2      PRO  14 -14.402  13.498  -1.837
  109    HG2  PRO  14           HG1      PRO  14 -16.266  12.283  -3.957
  110    HG3  PRO  14           HG2      PRO  14 -15.277  13.797  -4.073
  111    HD2  PRO  14           HD1      PRO  14 -14.322  11.419  -5.072
  112    HD3  PRO  14           HD2      PRO  14 -13.221  12.564  -4.192
  113    H    LYS  15           HN       LYS  15 -15.907   9.854  -3.403
  114    HA   LYS  15           HA       LYS  15 -18.124   8.919  -1.981
  115    HB2  LYS  15           HB1      LYS  15 -17.814   8.859  -4.449
  116    HB3  LYS  15           HB2      LYS  15 -16.441   7.722  -4.270
  117    HG2  LYS  15           HG1      LYS  15 -18.002   5.934  -3.475
  118    HG3  LYS  15           HG2      LYS  15 -19.350   7.106  -3.464
  119    HD2  LYS  15           HD1      LYS  15 -19.565   5.733  -5.439
  120    HD3  LYS  15           HD2      LYS  15 -19.157   7.408  -5.933
  121    HE2  LYS  15           HE1      LYS  15 -16.743   6.681  -6.319
  122    HE3  LYS  15           HE2      LYS  15 -17.199   4.998  -5.838
  123    HZ1  LYS  15           HZ1      LYS  15 -17.185   5.292  -8.230
  124    HZ2  LYS  15           HZ2      LYS  15 -18.322   6.536  -8.141
  125    HZ3  LYS  15           HZ3      LYS  15 -18.756   4.961  -7.700
  126    H    LEU  16           HN       LEU  16 -14.817   7.450  -2.259
  127    HA   LEU  16           HA       LEU  16 -15.504   5.270  -0.491
  128    HB2  LEU  16           HB1      LEU  16 -12.820   6.358  -1.520
  129    HB3  LEU  16           HB2      LEU  16 -12.984   4.903  -0.489
  130    HG   LEU  16           HG       LEU  16 -14.230   5.199  -3.283
  131   HD11  LEU  16          HD11      LEU  16 -12.415   3.633  -4.005
  132   HD12  LEU  16          HD12      LEU  16 -11.708   3.685  -2.351
  133   HD13  LEU  16          HD13      LEU  16 -11.732   5.175  -3.364
  134   HD21  LEU  16          HD21      LEU  16 -14.520   2.693  -3.096
  135   HD22  LEU  16          HD22      LEU  16 -15.497   3.572  -1.864
  136   HD23  LEU  16          HD23      LEU  16 -13.952   2.770  -1.393
  137    H    PHE  17           HN       PHE  17 -13.878   8.428  -0.217
  138    HA   PHE  17           HA       PHE  17 -12.807   8.081   2.283
  139    HB2  PHE  17           HB1      PHE  17 -12.588   9.945   0.339
  140    HB3  PHE  17           HB2      PHE  17 -13.724  10.864   1.384
  141    HD1  PHE  17           HD1      PHE  17 -12.879  11.821   3.463
  142    HD2  PHE  17           HD2      PHE  17 -10.437   9.122   1.180
  143    HE1  PHE  17           HE1      PHE  17 -10.913  12.426   4.846
  144    HE2  PHE  17           HE2      PHE  17  -8.473   9.724   2.563
  145    HZ   PHE  17           HZ       PHE  17  -8.710  11.378   4.399
  146    H2   ABA  18           HN       AGL  18 -16.039   9.522   1.528
  147    HA   ABA  18           HA       AGL  18 -16.755   9.872   4.257
  148    HB3  ABA  18           HB2      AGL  18 -19.209   9.518   3.056
  149    HB2  ABA  18           HB1      AGL  18 -18.227   9.768   1.599
  150    HG3  ABA  18           HG       AGL  18 -17.393  12.009   2.541
  151    H    LEU  19           HN       LEU  19 -17.252   7.019   2.096
  152    HA   LEU  19           HA       LEU  19 -18.803   5.635   4.008
  153    HB2  LEU  19           HB1      LEU  19 -17.174   4.650   1.614
  154    HB3  LEU  19           HB2      LEU  19 -18.273   3.599   2.568
  155    HG   LEU  19           HG       LEU  19 -19.154   6.115   1.040
  156   HD11  LEU  19          HD11      LEU  19 -20.162   4.527  -0.588
  157   HD12  LEU  19          HD12      LEU  19 -19.459   3.132   0.317
  158   HD13  LEU  19          HD13      LEU  19 -18.372   4.325  -0.497
  159   HD21  LEU  19          HD21      LEU  19 -20.688   5.636   2.943
  160   HD22  LEU  19          HD22      LEU  19 -20.800   3.906   2.436
  161   HD23  LEU  19          HD23      LEU  19 -21.471   5.205   1.385
  162    H    VAL  20           HN       VAL  20 -15.232   5.511   3.416
  163    HA   VAL  20           HA       VAL  20 -14.858   3.516   5.390
  164    HB   VAL  20           HB       VAL  20 -13.267   3.922   3.598
  165   HG11  VAL  20          HG11      VAL  20 -11.568   5.681   3.774
  166   HG12  VAL  20          HG12      VAL  20 -13.192   6.453   3.705
  167   HG13  VAL  20          HG13      VAL  20 -12.299   6.333   5.273
  168   HG21  VAL  20          HG21      VAL  20 -11.280   3.441   5.016
  169   HG22  VAL  20          HG22      VAL  20 -12.128   4.051   6.474
  170   HG23  VAL  20          HG23      VAL  20 -12.722   2.564   5.639
  171    H    THR  21           HN       THR  21 -14.704   7.100   5.638
  172    HA   THR  21           HA       THR  21 -13.878   6.922   8.393
  173    HB   THR  21           HB       THR  21 -14.670   9.537   7.053
  174    HG1  THR  21           HG1      THR  21 -13.397   8.754   5.519
  175   HG21  THR  21          HG21      THR  21 -12.371   8.638   8.937
  176   HG22  THR  21          HG22      THR  21 -13.828   9.559   9.460
  177   HG23  THR  21          HG23      THR  21 -12.639  10.310   8.340
  178    H    LYS  22           HN       LYS  22 -16.870   6.750   6.991
  179    HA   LYS  22           HA       LYS  22 -18.992   6.966   7.564
  180    HB2  LYS  22           HB1      LYS  22 -18.017   6.932  10.471
  181    HB3  LYS  22           HB2      LYS  22 -19.613   6.384   9.885
  182    HG2  LYS  22           HG1      LYS  22 -16.891   5.065   9.267
  183    HG3  LYS  22           HG2      LYS  22 -18.010   4.570  10.561
  184    HD2  LYS  22           HD1      LYS  22 -19.769   3.960   8.990
  185    HD3  LYS  22           HD2      LYS  22 -18.840   4.567   7.590
  186    HE2  LYS  22           HE1      LYS  22 -17.918   2.235   9.423
  187    HE3  LYS  22           HE2      LYS  22 -18.766   2.036   7.834
  188    HZ1  LYS  22           HZ1      LYS  22 -17.003   3.263   6.789
  189    HZ2  LYS  22           HZ2      LYS  22 -16.351   1.913   7.598
  190    HZ3  LYS  22           HZ3      LYS  22 -16.175   3.479   8.216
  191    H    LYS  23           HN       LYS  23 -17.471   9.643   7.530
  192    HA   LYS  23           HA       LYS  23 -18.942  11.068   9.639
  193    HB2  LYS  23           HB1      LYS  23 -16.418  10.977   9.328
  194    HB3  LYS  23           HB2      LYS  23 -16.595  12.119   7.973
  195    HG2  LYS  23           HG1      LYS  23 -17.752  12.647  10.794
  196    HG3  LYS  23           HG2      LYS  23 -16.025  12.889  10.467
  197    HD2  LYS  23           HD1      LYS  23 -16.261  14.822   9.347
  198    HD3  LYS  23           HD2      LYS  23 -17.665  14.271   8.413
  199    HE2  LYS  23           HE1      LYS  23 -17.767  15.354  11.322
  200    HE3  LYS  23           HE2      LYS  23 -18.250  16.229   9.813
  201    HZ1  LYS  23           HZ1      LYS  23 -19.554  13.918  11.120
  202    HZ2  LYS  23           HZ2      LYS  23 -19.746  14.185   9.473
  203    HZ3  LYS  23           HZ3      LYS  23 -20.239  15.375  10.580
  204    H2   ABA  24           HN       AGL  24 -19.395  10.573   6.325
  205    HA   ABA  24           HA       AGL  24 -20.466  13.220   5.750
  206    HB3  ABA  24           HB2      AGL  24 -21.336  12.053   3.629
  207    HB2  ABA  24           HB1      AGL  24 -20.566  10.555   4.217
  208    HG3  ABA  24           HG       AGL  24 -19.052  13.259   3.706
  Start of MODEL   16
    1    H1   PHE   1           HN       PHE   1   1.846  -0.308  -1.987
    2    HA   PHE   1           HA       PHE   1   4.060   0.188  -0.454
    3    HB2  PHE   1           HB1      PHE   1   4.663  -1.100  -3.192
    4    HB3  PHE   1           HB2      PHE   1   5.856  -0.003  -2.404
    5    HD1  PHE   1           HD1      PHE   1   7.214  -0.726  -0.607
    6    HD2  PHE   1           HD2      PHE   1   3.991  -3.218  -1.964
    7    HE1  PHE   1           HE1      PHE   1   8.091  -2.596   0.754
    8    HE2  PHE   1           HE2      PHE   1   4.865  -5.092  -0.596
    9    HZ   PHE   1           HZ       PHE   1   6.919  -4.781   0.764
   10    H    LEU   2           HN       LEU   2   5.409   1.974  -1.673
   11    HA   LEU   2           HA       LEU   2   5.080   4.209  -1.935
   12    HB2  LEU   2           HB1      LEU   2   6.521   3.016  -3.582
   13    HB3  LEU   2           HB2      LEU   2   5.163   3.066  -4.738
   14    HG   LEU   2           HG       LEU   2   5.222   5.589  -4.652
   15   HD11  LEU   2          HD11      LEU   2   6.229   5.985  -2.402
   16   HD12  LEU   2          HD12      LEU   2   7.249   6.728  -3.681
   17   HD13  LEU   2          HD13      LEU   2   7.755   5.172  -2.927
   18   HD21  LEU   2          HD21      LEU   2   7.901   4.246  -5.375
   19   HD22  LEU   2          HD22      LEU   2   7.304   5.835  -5.991
   20   HD23  LEU   2          HD23      LEU   2   6.429   4.317  -6.414
   21    HA   PRO   3           HA       PRO   3   0.755   4.268  -3.075
   22    HB2  PRO   3           HB1      PRO   3  -0.467   5.250  -0.836
   23    HB3  PRO   3           HB2      PRO   3   0.483   3.719  -0.792
   24    HG2  PRO   3           HG1      PRO   3   1.508   6.529  -0.069
   25    HG3  PRO   3           HG2      PRO   3   1.515   5.052   0.984
   26    HD2  PRO   3           HD1      PRO   3   3.713   5.711  -0.556
   27    HD3  PRO   3           HD2      PRO   3   3.165   3.977  -0.385
   28    H    ILE   4           HN       ILE   4   1.984   6.066  -4.487
   29    HA   ILE   4           HA       ILE   4   1.312   8.710  -4.604
   30    HB   ILE   4           HB       ILE   4   1.234   6.716  -6.921
   31   HG12  ILE   4          HG11      ILE   4   3.590   8.358  -5.821
   32   HG13  ILE   4          HG12      ILE   4   3.364   6.594  -5.581
   33   HG21  ILE   4          HG21      ILE   4   0.209   8.965  -7.489
   34   HG22  ILE   4          HG22      ILE   4   1.680   9.787  -6.849
   35   HG23  ILE   4          HG23      ILE   4   1.774   8.749  -8.316
   36   HD11  ILE   4           HD1      ILE   4   3.812   7.977  -8.299
   37   HD12  ILE   4           HD2      ILE   4   4.943   6.901  -7.415
   38   HD13  ILE   4           HD3      ILE   4   3.404   6.239  -8.084
   39    H    LEU   5           HN       LEU   5  -0.682   6.137  -6.098
   40    HA   LEU   5           HA       LEU   5  -2.839   7.735  -6.701
   41    HB2  LEU   5           HB1      LEU   5  -4.021   5.655  -7.242
   42    HB3  LEU   5           HB2      LEU   5  -2.344   5.668  -7.833
   43    HG   LEU   5           HG       LEU   5  -1.822   4.327  -5.569
   44   HD11  LEU   5          HD11      LEU   5  -4.152   4.406  -4.592
   45   HD12  LEU   5          HD12      LEU   5  -3.676   2.724  -5.018
   46   HD13  LEU   5          HD13      LEU   5  -4.792   3.638  -6.091
   47   HD21  LEU   5          HD21      LEU   5  -1.451   3.511  -7.899
   48   HD22  LEU   5          HD22      LEU   5  -3.195   3.078  -8.029
   49   HD23  LEU   5          HD23      LEU   5  -2.140   2.215  -6.853
   50    H    ALA   6           HN       ALA   6  -2.149   6.402  -3.500
   51    HA   ALA   6           HA       ALA   6  -4.817   6.424  -2.551
   52    HB1  ALA   6           HB1      ALA   6  -2.180   6.864  -1.025
   53    HB2  ALA   6           HB2      ALA   6  -3.770   6.432  -0.294
   54    HB3  ALA   6           HB3      ALA   6  -2.931   5.263  -1.374
   55    H    SER   7           HN       SER   7  -2.317   8.953  -2.728
   56    HA   SER   7           HA       SER   7  -3.790  11.001  -1.412
   57    HB2  SER   7           HB1      SER   7  -1.611  11.258  -3.581
   58    HB3  SER   7           HB2      SER   7  -2.233  12.598  -2.551
   59    HG   SER   7           HG1      SER   7  -0.752  10.312  -1.750
   60    H    LEU   8           HN       LEU   8  -3.545  10.010  -4.829
   61    HA   LEU   8           HA       LEU   8  -5.187  12.041  -5.901
   62    HB2  LEU   8           HB1      LEU   8  -3.531  10.473  -7.115
   63    HB3  LEU   8           HB2      LEU   8  -4.744   9.175  -6.928
   64    HG   LEU   8           HG       LEU   8  -6.382  10.709  -8.231
   65   HD11  LEU   8          HD11      LEU   8  -3.742  12.162  -8.928
   66   HD12  LEU   8          HD12      LEU   8  -5.095  12.871  -7.966
   67   HD13  LEU   8          HD13      LEU   8  -5.345  12.436  -9.698
   68   HD21  LEU   8          HD21      LEU   8  -5.281   8.707  -9.226
   69   HD22  LEU   8          HD22      LEU   8  -3.837   9.702  -9.654
   70   HD23  LEU   8          HD23      LEU   8  -5.426  10.039 -10.429
   71    H    ALA   9           HN       ALA   9  -5.952   8.684  -4.847
   72    HA   ALA   9           HA       ALA   9  -8.668   8.710  -5.396
   73    HB1  ALA   9           HB1      ALA   9  -8.724   6.719  -3.870
   74    HB2  ALA   9           HB2      ALA   9  -7.297   6.658  -4.968
   75    HB3  ALA   9           HB3      ALA   9  -7.084   7.162  -3.255
   76    H    ALA  10           HN       ALA  10  -6.983   9.664  -2.328
   77    HA   ALA  10           HA       ALA  10  -9.339  10.263  -0.926
   78    HB1  ALA  10           HB1      ALA  10  -7.068  10.029   0.111
   79    HB2  ALA  10           HB2      ALA  10  -6.532  11.523  -0.732
   80    HB3  ALA  10           HB3      ALA  10  -7.816  11.612   0.539
   81    H    LYS  11           HN       LYS  11  -7.344  12.359  -3.059
   82    HA   LYS  11           HA       LYS  11  -8.907  14.674  -2.661
   83    HB2  LYS  11           HB1      LYS  11  -6.582  14.733  -3.446
   84    HB3  LYS  11           HB2      LYS  11  -7.021  13.841  -4.931
   85    HG2  LYS  11           HG1      LYS  11  -8.354  15.703  -5.768
   86    HG3  LYS  11           HG2      LYS  11  -8.234  16.567  -4.194
   87    HD2  LYS  11           HD1      LYS  11  -5.816  16.957  -4.541
   88    HD3  LYS  11           HD2      LYS  11  -5.799  15.868  -5.956
   89    HE2  LYS  11           HE1      LYS  11  -5.746  18.327  -6.604
   90    HE3  LYS  11           HE2      LYS  11  -7.133  17.407  -7.315
   91    HZ1  LYS  11           HZ1      LYS  11  -7.845  19.515  -6.417
   92    HZ2  LYS  11           HZ2      LYS  11  -7.257  19.106  -4.872
   93    HZ3  LYS  11           HZ3      LYS  11  -8.529  18.221  -5.558
   94    H    PHE  12           HN       PHE  12  -9.116  12.226  -5.319
   95    HA   PHE  12           HA       PHE  12 -11.370  13.776  -6.431
   96    HB2  PHE  12           HB1      PHE  12  -9.503  11.616  -7.575
   97    HB3  PHE  12           HB2      PHE  12 -10.962  12.210  -8.452
   98    HD1  PHE  12           HD1      PHE  12  -7.506  12.938  -7.633
   99    HD2  PHE  12           HD2      PHE  12 -11.205  14.635  -8.982
  100    HE1  PHE  12           HE1      PHE  12  -6.264  14.833  -8.651
  101    HE2  PHE  12           HE2      PHE  12  -9.976  16.531  -9.993
  102    HZ   PHE  12           HZ       PHE  12  -7.501  16.622  -9.849
  103    H    GLY  13           HN       GLY  13 -11.000  11.045  -4.415
  104    HA2  GLY  13           HA1      GLY  13 -13.610   9.971  -5.314
  105    HA3  GLY  13           HA2      GLY  13 -12.295   9.092  -4.478
  106    HA   PRO  14           HA       PRO  14 -13.704  11.377  -0.789
  107    HB2  PRO  14           HB1      PRO  14 -15.506  13.515  -0.722
  108    HB3  PRO  14           HB2      PRO  14 -13.773  13.719  -1.181
  109    HG2  PRO  14           HG1      PRO  14 -16.139  13.299  -3.103
  110    HG3  PRO  14           HG2      PRO  14 -14.908  14.634  -3.127
  111    HD2  PRO  14           HD1      PRO  14 -14.542  12.404  -4.691
  112    HD3  PRO  14           HD2      PRO  14 -13.145  13.118  -3.768
  113    H    LYS  15           HN       LYS  15 -16.079  10.484  -3.079
  114    HA   LYS  15           HA       LYS  15 -18.285   9.891  -1.404
  115    HB2  LYS  15           HB1      LYS  15 -17.250   8.415  -3.908
  116    HB3  LYS  15           HB2      LYS  15 -18.885   8.226  -3.200
  117    HG2  LYS  15           HG1      LYS  15 -19.431  10.584  -3.746
  118    HG3  LYS  15           HG2      LYS  15 -17.779  10.852  -4.388
  119    HD2  LYS  15           HD1      LYS  15 -18.150   9.067  -6.110
  120    HD3  LYS  15           HD2      LYS  15 -19.824   8.833  -5.504
  121    HE2  LYS  15           HE1      LYS  15 -20.418  11.183  -6.165
  122    HE3  LYS  15           HE2      LYS  15 -18.718  11.474  -6.707
  123    HZ1  LYS  15           HZ1      LYS  15 -18.997   9.742  -8.362
  124    HZ2  LYS  15           HZ2      LYS  15 -20.179  10.935  -8.545
  125    HZ3  LYS  15           HZ3      LYS  15 -20.585   9.444  -7.854
  126    H    LEU  16           HN       LEU  16 -15.357   7.965  -2.275
  127    HA   LEU  16           HA       LEU  16 -16.104   5.696  -0.707
  128    HB2  LEU  16           HB1      LEU  16 -13.389   6.622  -1.818
  129    HB3  LEU  16           HB2      LEU  16 -13.706   5.013  -1.098
  130    HG   LEU  16           HG       LEU  16 -15.046   6.111  -3.641
  131   HD11  LEU  16          HD11      LEU  16 -13.594   4.476  -4.839
  132   HD12  LEU  16          HD12      LEU  16 -12.806   4.023  -3.284
  133   HD13  LEU  16          HD13      LEU  16 -12.605   5.689  -3.942
  134   HD21  LEU  16          HD21      LEU  16 -15.791   3.725  -3.966
  135   HD22  LEU  16          HD22      LEU  16 -16.525   4.457  -2.494
  136   HD23  LEU  16          HD23      LEU  16 -15.139   3.311  -2.341
  137    H    PHE  17           HN       PHE  17 -14.045   8.553  -0.189
  138    HA   PHE  17           HA       PHE  17 -12.964   7.776   2.245
  139    HB2  PHE  17           HB1      PHE  17 -12.490   9.796   0.509
  140    HB3  PHE  17           HB2      PHE  17 -13.505  10.738   1.652
  141    HD1  PHE  17           HD1      PHE  17 -12.735  10.872   4.083
  142    HD2  PHE  17           HD2      PHE  17 -10.315   9.085   1.019
  143    HE1  PHE  17           HE1      PHE  17 -10.734  11.087   5.534
  144    HE2  PHE  17           HE2      PHE  17  -8.317   9.297   2.466
  145    HZ   PHE  17           HZ       PHE  17  -8.524  10.302   4.723
  146    H2   ABA  18           HN       AGL  18 -15.969   9.703   1.650
  147    HA   ABA  18           HA       AGL  18 -16.712   9.926   4.357
  148    HB3  ABA  18           HB2      AGL  18 -18.282   9.901   1.726
  149    HB2  ABA  18           HB1      AGL  18 -17.714  11.326   2.616
  150    HG3  ABA  18           HG       AGL  18 -20.160   9.557   3.177
  151    H    LEU  19           HN       LEU  19 -17.495   7.307   1.959
  152    HA   LEU  19           HA       LEU  19 -19.164   5.920   3.738
  153    HB2  LEU  19           HB1      LEU  19 -17.619   5.033   1.262
  154    HB3  LEU  19           HB2      LEU  19 -18.742   3.941   2.137
  155    HG   LEU  19           HG       LEU  19 -19.592   6.645   0.960
  156   HD11  LEU  19          HD11      LEU  19 -18.823   5.124  -0.849
  157   HD12  LEU  19          HD12      LEU  19 -20.616   5.329  -0.893
  158   HD13  LEU  19          HD13      LEU  19 -19.897   3.812  -0.224
  159   HD21  LEU  19          HD21      LEU  19 -21.907   5.703   1.190
  160   HD22  LEU  19          HD22      LEU  19 -21.095   5.860   2.786
  161   HD23  LEU  19          HD23      LEU  19 -21.228   4.242   2.001
  162    H    VAL  20           HN       VAL  20 -15.596   5.409   3.209
  163    HA   VAL  20           HA       VAL  20 -15.606   3.190   4.971
  164    HB   VAL  20           HB       VAL  20 -13.189   3.320   5.071
  165   HG11  VAL  20          HG11      VAL  20 -14.407   2.196   3.183
  166   HG12  VAL  20          HG12      VAL  20 -14.361   3.734   2.239
  167   HG13  VAL  20          HG13      VAL  20 -12.830   2.893   2.659
  168   HG21  VAL  20          HG21      VAL  20 -12.774   5.784   5.079
  169   HG22  VAL  20          HG22      VAL  20 -11.987   5.033   3.653
  170   HG23  VAL  20          HG23      VAL  20 -13.526   5.937   3.446
  171    H    THR  21           HN       THR  21 -14.840   6.672   5.691
  172    HA   THR  21           HA       THR  21 -14.364   6.025   8.425
  173    HB   THR  21           HB       THR  21 -15.031   8.823   7.480
  174    HG1  THR  21           HG1      THR  21 -12.538   7.477   7.453
  175   HG21  THR  21          HG21      THR  21 -13.258   7.570   9.718
  176   HG22  THR  21          HG22      THR  21 -14.792   8.472   9.982
  177   HG23  THR  21          HG23      THR  21 -13.335   9.323   9.343
  178    H    LYS  22           HN       LYS  22 -17.272   6.811   6.627
  179    HA   LYS  22           HA       LYS  22 -19.372   7.053   7.068
  180    HB2  LYS  22           HB1      LYS  22 -18.899   5.708   9.755
  181    HB3  LYS  22           HB2      LYS  22 -20.455   5.809   8.893
  182    HG2  LYS  22           HG1      LYS  22 -19.827   4.258   7.211
  183    HG3  LYS  22           HG2      LYS  22 -18.090   4.414   7.508
  184    HD2  LYS  22           HD1      LYS  22 -20.115   2.992   9.328
  185    HD3  LYS  22           HD2      LYS  22 -18.870   2.256   8.281
  186    HE2  LYS  22           HE1      LYS  22 -18.492   3.763  10.934
  187    HE3  LYS  22           HE2      LYS  22 -17.951   2.104  10.476
  188    HZ1  LYS  22           HZ1      LYS  22 -16.501   3.391   8.756
  189    HZ2  LYS  22           HZ2      LYS  22 -16.045   3.414  10.392
  190    HZ3  LYS  22           HZ3      LYS  22 -16.845   4.731   9.700
  191    H    LYS  23           HN       LYS  23 -17.452   9.165   8.234
  192    HA   LYS  23           HA       LYS  23 -19.358  10.358  10.166
  193    HB2  LYS  23           HB1      LYS  23 -17.756  10.611  11.603
  194    HB3  LYS  23           HB2      LYS  23 -16.709   9.620  10.577
  195    HG2  LYS  23           HG1      LYS  23 -16.883  12.696  10.660
  196    HG3  LYS  23           HG2      LYS  23 -15.648  11.684  11.451
  197    HD2  LYS  23           HD1      LYS  23 -14.613  11.067   9.351
  198    HD3  LYS  23           HD2      LYS  23 -16.016  11.622   8.396
  199    HE2  LYS  23           HE1      LYS  23 -14.081  13.208   8.206
  200    HE3  LYS  23           HE2      LYS  23 -15.567  13.982   8.889
  201    HZ1  LYS  23           HZ1      LYS  23 -14.662  13.688  11.087
  202    HZ2  LYS  23           HZ2      LYS  23 -13.597  14.593  10.131
  203    HZ3  LYS  23           HZ3      LYS  23 -13.257  12.966  10.480
  204    H2   ABA  24           HN       AGL  24 -19.169  10.594   7.029
  205    HA   ABA  24           HA       AGL  24 -18.745  13.464   6.808
  206    HB3  ABA  24           HB2      AGL  24 -17.959  12.140   4.947
  207    HB2  ABA  24           HB1      AGL  24 -19.249  13.266   4.441
  208    HG3  ABA  24           HG       AGL  24 -20.860  11.066   4.853
  Start of MODEL   17
    1    H1   PHE   1           HN       PHE   1   2.667  -0.856  -0.366
    2    HA   PHE   1           HA       PHE   1   5.045   0.394  -0.747
    3    HB2  PHE   1           HB1      PHE   1   3.482  -1.352  -2.749
    4    HB3  PHE   1           HB2      PHE   1   5.213  -0.897  -2.957
    5    HD1  PHE   1           HD1      PHE   1   6.775  -1.362  -0.882
    6    HD2  PHE   1           HD2      PHE   1   3.049  -3.369  -1.623
    7    HE1  PHE   1           HE1      PHE   1   7.505  -3.244   0.550
    8    HE2  PHE   1           HE2      PHE   1   3.783  -5.256  -0.196
    9    HZ   PHE   1           HZ       PHE   1   6.009  -5.193   0.897
   10    H    LEU   2           HN       LEU   2   5.265   2.478  -1.133
   11    HA   LEU   2           HA       LEU   2   5.093   4.480  -2.002
   12    HB2  LEU   2           HB1      LEU   2   6.615   3.169  -3.510
   13    HB3  LEU   2           HB2      LEU   2   5.260   3.045  -4.666
   14    HG   LEU   2           HG       LEU   2   5.206   5.560  -4.839
   15   HD11  LEU   2          HD11      LEU   2   7.751   5.461  -3.088
   16   HD12  LEU   2          HD12      LEU   2   6.178   6.226  -2.641
   17   HD13  LEU   2          HD13      LEU   2   7.145   6.906  -3.989
   18   HD21  LEU   2          HD21      LEU   2   6.471   4.168  -6.457
   19   HD22  LEU   2          HD22      LEU   2   7.947   4.284  -5.431
   20   HD23  LEU   2          HD23      LEU   2   7.255   5.770  -6.213
   21    HA   PRO   3           HA       PRO   3   0.772   4.091  -3.335
   22    HB2  PRO   3           HB1      PRO   3  -0.698   4.893  -1.176
   23    HB3  PRO   3           HB2      PRO   3   0.327   3.412  -1.115
   24    HG2  PRO   3           HG1      PRO   3   1.132   6.226  -0.166
   25    HG3  PRO   3           HG2      PRO   3   1.127   4.694   0.809
   26    HD2  PRO   3           HD1      PRO   3   3.416   5.542  -0.490
   27    HD3  PRO   3           HD2      PRO   3   2.941   3.779  -0.452
   28    H    ILE   4           HN       ILE   4   1.901   5.951  -4.639
   29    HA   ILE   4           HA       ILE   4   1.198   8.571  -4.711
   30    HB   ILE   4           HB       ILE   4   1.088   6.662  -7.093
   31   HG12  ILE   4          HG11      ILE   4   3.212   6.269  -6.006
   32   HG13  ILE   4          HG12      ILE   4   3.441   7.222  -7.488
   33   HG21  ILE   4          HG21      ILE   4   1.576   9.715  -6.888
   34   HG22  ILE   4          HG22      ILE   4   1.769   8.723  -8.377
   35   HG23  ILE   4          HG23      ILE   4   0.147   8.903  -7.637
   36   HD11  ILE   4           HD1      ILE   4   3.516   8.348  -4.600
   37   HD12  ILE   4           HD2      ILE   4   4.919   8.070  -5.695
   38   HD13  ILE   4           HD3      ILE   4   3.706   9.328  -6.104
   39    H    LEU   5           HN       LEU   5  -0.787   6.033  -6.268
   40    HA   LEU   5           HA       LEU   5  -2.962   7.554  -6.861
   41    HB2  LEU   5           HB1      LEU   5  -4.132   5.553  -7.344
   42    HB3  LEU   5           HB2      LEU   5  -2.433   5.310  -7.816
   43    HG   LEU   5           HG       LEU   5  -3.757   4.213  -5.251
   44   HD11  LEU   5          HD11      LEU   5  -3.067   2.806  -7.901
   45   HD12  LEU   5          HD12      LEU   5  -4.719   3.235  -7.324
   46   HD13  LEU   5          HD13      LEU   5  -3.735   2.025  -6.423
   47   HD21  LEU   5          HD21      LEU   5  -1.768   2.676  -5.147
   48   HD22  LEU   5          HD22      LEU   5  -1.291   4.390  -4.899
   49   HD23  LEU   5          HD23      LEU   5  -0.998   3.579  -6.494
   50    H    ALA   6           HN       ALA   6  -2.321   6.108  -3.639
   51    HA   ALA   6           HA       ALA   6  -4.958   6.390  -2.668
   52    HB1  ALA   6           HB1      ALA   6  -2.289   6.513  -1.143
   53    HB2  ALA   6           HB2      ALA   6  -3.913   6.212  -0.420
   54    HB3  ALA   6           HB3      ALA   6  -3.195   5.008  -1.546
   55    H    SER   7           HN       SER   7  -2.239   8.676  -2.817
   56    HA   SER   7           HA       SER   7  -3.491  10.794  -1.395
   57    HB2  SER   7           HB1      SER   7  -1.020  10.658  -1.892
   58    HB3  SER   7           HB2      SER   7  -1.368  10.987  -3.617
   59    HG   SER   7           HG1      SER   7  -0.750  12.817  -2.353
   60    H    LEU   8           HN       LEU   8  -3.481   9.908  -4.873
   61    HA   LEU   8           HA       LEU   8  -5.058  12.100  -5.744
   62    HB2  LEU   8           HB1      LEU   8  -3.554  10.561  -7.148
   63    HB3  LEU   8           HB2      LEU   8  -4.784   9.284  -6.947
   64    HG   LEU   8           HG       LEU   8  -6.468  10.898  -8.063
   65   HD11  LEU   8          HD11      LEU   8  -5.505  12.707  -9.484
   66   HD12  LEU   8          HD12      LEU   8  -3.869  12.401  -8.804
   67   HD13  LEU   8          HD13      LEU   8  -5.185  13.047  -7.746
   68   HD21  LEU   8          HD21      LEU   8  -4.016   9.988  -9.696
   69   HD22  LEU   8          HD22      LEU   8  -5.647  10.376 -10.349
   70   HD23  LEU   8          HD23      LEU   8  -5.436   8.965  -9.251
   71    H    ALA   9           HN       ALA   9  -5.935   8.717  -4.871
   72    HA   ALA   9           HA       ALA   9  -8.622   8.830  -5.403
   73    HB1  ALA   9           HB1      ALA   9  -7.290   6.740  -5.065
   74    HB2  ALA   9           HB2      ALA   9  -7.111   7.141  -3.320
   75    HB3  ALA   9           HB3      ALA   9  -8.741   6.759  -4.000
   76    H    ALA  10           HN       ALA  10  -6.987   9.690  -2.310
   77    HA   ALA  10           HA       ALA  10  -9.332  10.149  -0.856
   78    HB1  ALA  10           HB1      ALA  10  -7.865  11.558   0.604
   79    HB2  ALA  10           HB2      ALA  10  -7.039  10.030   0.129
   80    HB3  ALA  10           HB3      ALA  10  -6.603  11.569  -0.696
   81    H    LYS  11           HN       LYS  11  -7.687  12.283  -3.189
   82    HA   LYS  11           HA       LYS  11  -9.330  14.578  -2.550
   83    HB2  LYS  11           HB1      LYS  11  -7.384  13.986  -4.846
   84    HB3  LYS  11           HB2      LYS  11  -8.129  15.587  -4.545
   85    HG2  LYS  11           HG1      LYS  11  -6.940  15.853  -2.441
   86    HG3  LYS  11           HG2      LYS  11  -6.433  14.134  -2.440
   87    HD2  LYS  11           HD1      LYS  11  -5.116  14.564  -4.581
   88    HD3  LYS  11           HD2      LYS  11  -5.520  16.297  -4.447
   89    HE2  LYS  11           HE1      LYS  11  -3.202  15.766  -3.601
   90    HE3  LYS  11           HE2      LYS  11  -4.244  16.465  -2.294
   91    HZ1  LYS  11           HZ1      LYS  11  -2.875  14.079  -2.154
   92    HZ2  LYS  11           HZ2      LYS  11  -4.411  13.606  -2.544
   93    HZ3  LYS  11           HZ3      LYS  11  -4.181  14.543  -1.162
   94    H    PHE  12           HN       PHE  12  -9.165  12.235  -5.297
   95    HA   PHE  12           HA       PHE  12 -11.474  13.574  -6.511
   96    HB2  PHE  12           HB1      PHE  12  -9.435  11.485  -7.490
   97    HB3  PHE  12           HB2      PHE  12 -10.895  11.941  -8.451
   98    HD1  PHE  12           HD1      PHE  12  -7.609  13.112  -7.241
   99    HD2  PHE  12           HD2      PHE  12 -11.208  14.182  -9.318
  100    HE1  PHE  12           HE1      PHE  12  -6.489  15.139  -8.141
  101    HE2  PHE  12           HE2      PHE  12 -10.092  16.196 -10.223
  102    HZ   PHE  12           HZ       PHE  12  -7.734  16.678  -9.635
  103    H    GLY  13           HN       GLY  13 -11.095  11.035  -4.331
  104    HA2  GLY  13           HA1      GLY  13 -13.659   9.834  -5.215
  105    HA3  GLY  13           HA2      GLY  13 -12.340   9.012  -4.326
  106    HA   PRO  14           HA       PRO  14 -13.945  11.464  -0.741
  107    HB2  PRO  14           HB1      PRO  14 -15.796  13.553  -0.912
  108    HB3  PRO  14           HB2      PRO  14 -14.029  13.786  -1.200
  109    HG2  PRO  14           HG1      PRO  14 -16.185  13.292  -3.335
  110    HG3  PRO  14           HG2      PRO  14 -14.953  14.620  -3.276
  111    HD2  PRO  14           HD1      PRO  14 -14.473  12.336  -4.731
  112    HD3  PRO  14           HD2      PRO  14 -13.151  13.107  -3.749
  113    H    LYS  15           HN       LYS  15 -16.233  10.749  -3.233
  114    HA   LYS  15           HA       LYS  15 -18.457   9.941  -1.718
  115    HB2  LYS  15           HB1      LYS  15 -18.482  10.291  -4.152
  116    HB3  LYS  15           HB2      LYS  15 -17.324   8.948  -4.403
  117    HG2  LYS  15           HG1      LYS  15 -19.033   7.281  -3.767
  118    HG3  LYS  15           HG2      LYS  15 -20.080   8.558  -3.100
  119    HD2  LYS  15           HD1      LYS  15 -21.044   7.861  -5.224
  120    HD3  LYS  15           HD2      LYS  15 -20.481   9.546  -5.299
  121    HE2  LYS  15           HE1      LYS  15 -19.964   8.503  -7.425
  122    HE3  LYS  15           HE2      LYS  15 -18.401   8.794  -6.576
  123    HZ1  LYS  15           HZ1      LYS  15 -19.903   6.219  -6.712
  124    HZ2  LYS  15           HZ2      LYS  15 -18.452   6.465  -5.868
  125    HZ3  LYS  15           HZ3      LYS  15 -18.492   6.611  -7.559
  126    H    LEU  16           HN       LEU  16 -15.441   8.123  -2.514
  127    HA   LEU  16           HA       LEU  16 -16.366   5.750  -1.129
  128    HB2  LEU  16           HB1      LEU  16 -13.584   6.613  -2.114
  129    HB3  LEU  16           HB2      LEU  16 -13.977   5.006  -1.428
  130    HG   LEU  16           HG       LEU  16 -15.181   6.170  -4.009
  131   HD11  LEU  16          HD11      LEU  16 -13.718   4.506  -5.167
  132   HD12  LEU  16          HD12      LEU  16 -13.008   4.024  -3.584
  133   HD13  LEU  16          HD13      LEU  16 -12.742   5.689  -4.218
  134   HD21  LEU  16          HD21      LEU  16 -15.387   3.359  -2.742
  135   HD22  LEU  16          HD22      LEU  16 -15.967   3.793  -4.387
  136   HD23  LEU  16          HD23      LEU  16 -16.743   4.531  -2.933
  137    H    PHE  17           HN       PHE  17 -14.223   8.536  -0.470
  138    HA   PHE  17           HA       PHE  17 -13.187   7.614   1.914
  139    HB2  PHE  17           HB1      PHE  17 -12.574   9.662   0.321
  140    HB3  PHE  17           HB2      PHE  17 -13.634  10.612   1.416
  141    HD1  PHE  17           HD1      PHE  17 -13.041  10.624   3.922
  142    HD2  PHE  17           HD2      PHE  17 -10.423   8.978   0.940
  143    HE1  PHE  17           HE1      PHE  17 -11.148  10.774   5.503
  144    HE2  PHE  17           HE2      PHE  17  -8.523   9.131   2.523
  145    HZ   PHE  17           HZ       PHE  17  -8.883  10.032   4.807
  146    H2   ABA  18           HN       AGL  18 -16.102   9.735   1.494
  147    HA   ABA  18           HA       AGL  18 -16.681   9.915   4.233
  148    HB3  ABA  18           HB2      AGL  18 -18.464  10.121   1.750
  149    HB2  ABA  18           HB1      AGL  18 -17.624  11.455   2.563
  150    HG3  ABA  18           HG       AGL  18 -20.218  10.057   3.386
  151    H    LEU  19           HN       LEU  19 -17.712   7.400   1.845
  152    HA   LEU  19           HA       LEU  19 -19.401   6.077   3.689
  153    HB2  LEU  19           HB1      LEU  19 -18.002   5.097   1.153
  154    HB3  LEU  19           HB2      LEU  19 -19.204   4.125   2.066
  155    HG   LEU  19           HG       LEU  19 -19.779   6.864   0.799
  156   HD11  LEU  19          HD11      LEU  19 -19.306   5.135  -0.920
  157   HD12  LEU  19          HD12      LEU  19 -21.054   5.584  -0.913
  158   HD13  LEU  19          HD13      LEU  19 -20.519   4.029  -0.164
  159   HD21  LEU  19          HD21      LEU  19 -22.189   6.252   1.175
  160   HD22  LEU  19          HD22      LEU  19 -21.294   6.426   2.723
  161   HD23  LEU  19          HD23      LEU  19 -21.665   4.782   2.081
  162    H    VAL  20           HN       VAL  20 -15.885   5.471   2.965
  163    HA   VAL  20           HA       VAL  20 -15.866   3.309   4.828
  164    HB   VAL  20           HB       VAL  20 -14.296   3.438   2.991
  165   HG11  VAL  20          HG11      VAL  20 -12.848   5.625   4.635
  166   HG12  VAL  20          HG12      VAL  20 -12.269   4.838   3.128
  167   HG13  VAL  20          HG13      VAL  20 -13.734   5.882   3.082
  168   HG21  VAL  20          HG21      VAL  20 -12.382   2.535   4.282
  169   HG22  VAL  20          HG22      VAL  20 -13.000   3.279   5.796
  170   HG23  VAL  20          HG23      VAL  20 -13.936   1.963   4.988
  171    H    THR  21           HN       THR  21 -14.921   6.785   5.253
  172    HA   THR  21           HA       THR  21 -14.183   6.495   7.942
  173    HB   THR  21           HB       THR  21 -15.256   9.005   6.594
  174    HG1  THR  21           HG1      THR  21 -12.605   8.062   6.972
  175   HG21  THR  21          HG21      THR  21 -13.465   8.573   9.103
  176   HG22  THR  21          HG22      THR  21 -15.152   9.198   9.134
  177   HG23  THR  21          HG23      THR  21 -13.851  10.162   8.351
  178    H    LYS  22           HN       LYS  22 -17.364   7.105   6.487
  179    HA   LYS  22           HA       LYS  22 -19.379   7.391   7.190
  180    HB2  LYS  22           HB1      LYS  22 -18.648   5.893   9.734
  181    HB3  LYS  22           HB2      LYS  22 -20.270   6.010   9.008
  182    HG2  LYS  22           HG1      LYS  22 -19.758   4.531   7.217
  183    HG3  LYS  22           HG2      LYS  22 -18.005   4.686   7.397
  184    HD2  LYS  22           HD1      LYS  22 -19.892   3.182   9.291
  185    HD3  LYS  22           HD2      LYS  22 -18.694   2.505   8.153
  186    HE2  LYS  22           HE1      LYS  22 -18.199   3.931  10.832
  187    HE3  LYS  22           HE2      LYS  22 -17.658   2.298  10.292
  188    HZ1  LYS  22           HZ1      LYS  22 -16.627   4.967   9.527
  189    HZ2  LYS  22           HZ2      LYS  22 -16.311   3.657   8.550
  190    HZ3  LYS  22           HZ3      LYS  22 -15.778   3.654  10.160
  191    H    LYS  23           HN       LYS  23 -17.292   9.418   8.364
  192    HA   LYS  23           HA       LYS  23 -19.305  10.615  10.169
  193    HB2  LYS  23           HB1      LYS  23 -17.906  11.178  11.815
  194    HB3  LYS  23           HB2      LYS  23 -17.177   9.645  11.307
  195    HG2  LYS  23           HG1      LYS  23 -15.178  10.719  11.160
  196    HG3  LYS  23           HG2      LYS  23 -15.806  11.693   9.792
  197    HD2  LYS  23           HD1      LYS  23 -16.881  13.244  11.545
  198    HD3  LYS  23           HD2      LYS  23 -16.003  12.327  12.808
  199    HE2  LYS  23           HE1      LYS  23 -13.800  13.044  11.771
  200    HE3  LYS  23           HE2      LYS  23 -14.714  13.940  10.490
  201    HZ1  LYS  23           HZ1      LYS  23 -14.054  15.406  12.282
  202    HZ2  LYS  23           HZ2      LYS  23 -14.852  14.445  13.427
  203    HZ3  LYS  23           HZ3      LYS  23 -15.743  15.256  12.241
  204    H2   ABA  24           HN       AGL  24 -18.821  10.899   7.196
  205    HA   ABA  24           HA       AGL  24 -17.857  13.601   6.931
  206    HB3  ABA  24           HB2      AGL  24 -17.432  12.080   5.092
  207    HB2  ABA  24           HB1      AGL  24 -18.454  13.444   4.560
  208    HG3  ABA  24           HG       AGL  24 -20.460  11.571   5.188
  Start of MODEL   18
    1    H1   PHE   1           HN       PHE   1   0.582  -1.534  -3.215
    2    HA   PHE   1           HA       PHE   1   1.435  -0.507  -5.438
    3    HB2  PHE   1           HB1      PHE   1  -1.011   0.606  -3.910
    4    HB3  PHE   1           HB2      PHE   1  -0.732   0.791  -5.683
    5    HD1  PHE   1           HD1      PHE   1  -0.176  -1.487  -6.959
    6    HD2  PHE   1           HD2      PHE   1  -2.419  -1.161  -3.309
    7    HE1  PHE   1           HE1      PHE   1  -1.290  -3.639  -7.453
    8    HE2  PHE   1           HE2      PHE   1  -3.542  -3.314  -3.809
    9    HZ   PHE   1           HZ       PHE   1  -2.975  -4.555  -5.882
   10    H    LEU   2           HN       LEU   2   2.605   0.668  -2.864
   11    HA   LEU   2           HA       LEU   2   4.051   2.302  -2.408
   12    HB2  LEU   2           HB1      LEU   2   3.435   3.348  -5.211
   13    HB3  LEU   2           HB2      LEU   2   4.420   4.293  -4.084
   14    HG   LEU   2           HG       LEU   2   5.999   2.318  -3.844
   15   HD11  LEU   2          HD11      LEU   2   6.044   0.671  -5.769
   16   HD12  LEU   2          HD12      LEU   2   4.423   1.267  -6.282
   17   HD13  LEU   2          HD13      LEU   2   4.619   0.433  -4.697
   18   HD21  LEU   2          HD21      LEU   2   7.142   2.835  -6.006
   19   HD22  LEU   2          HD22      LEU   2   6.469   4.333  -5.250
   20   HD23  LEU   2          HD23      LEU   2   5.620   3.559  -6.641
   21    HA   PRO   3           HA       PRO   3   1.398   5.182  -0.503
   22    HB2  PRO   3           HB1      PRO   3   2.819   7.598  -0.104
   23    HB3  PRO   3           HB2      PRO   3   3.084   6.076   0.824
   24    HG2  PRO   3           HG1      PRO   3   4.622   7.036  -1.650
   25    HG3  PRO   3           HG2      PRO   3   5.300   6.435  -0.078
   26    HD2  PRO   3           HD1      PRO   3   5.111   4.742  -2.196
   27    HD3  PRO   3           HD2      PRO   3   4.559   4.157  -0.563
   28    H    ILE   4           HN       ILE   4   2.742   6.353  -3.470
   29    HA   ILE   4           HA       ILE   4   2.148   8.895  -3.615
   30    HB   ILE   4           HB       ILE   4   1.863   7.057  -6.028
   31   HG12  ILE   4          HG11      ILE   4   3.930   6.437  -4.904
   32   HG13  ILE   4          HG12      ILE   4   4.275   7.379  -6.374
   33   HG21  ILE   4          HG21      ILE   4   2.777   9.083  -7.251
   34   HG22  ILE   4          HG22      ILE   4   1.165   9.392  -6.528
   35   HG23  ILE   4          HG23      ILE   4   2.644  10.041  -5.733
   36   HD11  ILE   4           HD1      ILE   4   4.402   8.500  -3.485
   37   HD12  ILE   4           HD2      ILE   4   5.798   8.067  -4.534
   38   HD13  ILE   4           HD3      ILE   4   4.728   9.436  -4.989
   39    H    LEU   5           HN       LEU   5  -0.107   6.610  -5.137
   40    HA   LEU   5           HA       LEU   5  -2.091   8.373  -5.819
   41    HB2  LEU   5           HB1      LEU   5  -3.418   6.305  -6.213
   42    HB3  LEU   5           HB2      LEU   5  -1.736   6.163  -6.782
   43    HG   LEU   5           HG       LEU   5  -1.399   5.093  -4.274
   44   HD11  LEU   5          HD11      LEU   5  -3.827   5.264  -3.633
   45   HD12  LEU   5          HD12      LEU   5  -3.283   3.554  -3.774
   46   HD13  LEU   5          HD13      LEU   5  -4.266   4.293  -5.090
   47   HD21  LEU   5          HD21      LEU   5  -0.706   4.069  -6.431
   48   HD22  LEU   5          HD22      LEU   5  -2.415   3.583  -6.758
   49   HD23  LEU   5          HD23      LEU   5  -1.518   2.880  -5.359
   50    H    ALA   6           HN       ALA   6  -1.479   7.496  -2.510
   51    HA   ALA   6           HA       ALA   6  -4.115   7.418  -1.559
   52    HB1  ALA   6           HB1      ALA   6  -3.069   7.940   0.656
   53    HB2  ALA   6           HB2      ALA   6  -2.121   6.698  -0.240
   54    HB3  ALA   6           HB3      ALA   6  -1.538   8.394  -0.191
   55    H    SER   7           HN       SER   7  -1.978  10.219  -2.247
   56    HA   SER   7           HA       SER   7  -3.729  12.177  -1.144
   57    HB2  SER   7           HB1      SER   7  -2.352  13.835  -2.407
   58    HB3  SER   7           HB2      SER   7  -1.339  12.669  -1.482
   59    HG   SER   7           HG1      SER   7  -0.507  12.822  -3.560
   60    H    LEU   8           HN       LEU   8  -3.305  10.857  -4.390
   61    HA   LEU   8           HA       LEU   8  -5.246  12.353  -5.743
   62    HB2  LEU   8           HB1      LEU   8  -3.339  10.871  -6.667
   63    HB3  LEU   8           HB2      LEU   8  -4.357   9.456  -6.284
   64    HG   LEU   8           HG       LEU   8  -6.154  10.527  -7.837
   65   HD11  LEU   8          HD11      LEU   8  -3.696  12.174  -8.740
   66   HD12  LEU   8          HD12      LEU   8  -5.154  12.854  -7.926
   67   HD13  LEU   8          HD13      LEU   8  -5.294  12.112  -9.561
   68   HD21  LEU   8          HD21      LEU   8  -3.451   9.642  -9.033
   69   HD22  LEU   8          HD22      LEU   8  -5.039   9.633  -9.880
   70   HD23  LEU   8          HD23      LEU   8  -4.770   8.548  -8.466
   71    H    ALA   9           HN       ALA   9  -5.524   9.128  -4.151
   72    HA   ALA   9           HA       ALA   9  -8.233   8.696  -4.591
   73    HB1  ALA   9           HB1      ALA   9  -6.441   7.809  -2.245
   74    HB2  ALA   9           HB2      ALA   9  -8.012   7.047  -2.709
   75    HB3  ALA   9           HB3      ALA   9  -6.595   6.958  -3.819
   76    H    ALA  10           HN       ALA  10  -6.606  10.448  -1.905
   77    HA   ALA  10           HA       ALA  10  -9.104  11.139  -0.660
   78    HB1  ALA  10           HB1      ALA  10  -7.627  12.445   0.873
   79    HB2  ALA  10           HB2      ALA  10  -6.957  10.796   0.599
   80    HB3  ALA  10           HB3      ALA  10  -6.239  12.196  -0.264
   81    H    LYS  11           HN       LYS  11  -8.304  12.066  -3.592
   82    HA   LYS  11           HA       LYS  11  -9.580  14.692  -3.161
   83    HB2  LYS  11           HB1      LYS  11  -7.041  14.715  -3.909
   84    HB3  LYS  11           HB2      LYS  11  -7.616  14.040  -5.439
   85    HG2  LYS  11           HG1      LYS  11  -7.321  16.476  -5.622
   86    HG3  LYS  11           HG2      LYS  11  -9.025  16.029  -5.867
   87    HD2  LYS  11           HD1      LYS  11  -8.788  18.088  -4.575
   88    HD3  LYS  11           HD2      LYS  11  -9.651  16.863  -3.621
   89    HE2  LYS  11           HE1      LYS  11  -6.603  17.335  -3.293
   90    HE3  LYS  11           HE2      LYS  11  -7.812  18.401  -2.479
   91    HZ1  LYS  11           HZ1      LYS  11  -7.750  15.437  -2.128
   92    HZ2  LYS  11           HZ2      LYS  11  -8.707  16.528  -1.323
   93    HZ3  LYS  11           HZ3      LYS  11  -7.032  16.541  -1.080
   94    H    PHE  12           HN       PHE  12  -9.056  12.054  -5.573
   95    HA   PHE  12           HA       PHE  12 -11.563  12.839  -6.863
   96    HB2  PHE  12           HB1      PHE  12  -9.258  10.947  -7.657
   97    HB3  PHE  12           HB2      PHE  12 -10.739  11.209  -8.656
   98    HD1  PHE  12           HD1      PHE  12  -7.534  12.638  -7.604
   99    HD2  PHE  12           HD2      PHE  12 -11.264  13.445  -9.568
  100    HE1  PHE  12           HE1      PHE  12  -6.557  14.684  -8.621
  101    HE2  PHE  12           HE2      PHE  12 -10.291  15.481 -10.587
  102    HZ   PHE  12           HZ       PHE  12  -7.939  16.103 -10.113
  103    H    GLY  13           HN       GLY  13 -10.723  10.730  -4.376
  104    HA2  GLY  13           HA1      GLY  13 -12.908   8.861  -5.082
  105    HA3  GLY  13           HA2      GLY  13 -11.547   8.580  -3.959
  106    HA   PRO  14           HA       PRO  14 -14.076  11.100  -1.015
  107    HB2  PRO  14           HB1      PRO  14 -16.263  12.689  -1.703
  108    HB3  PRO  14           HB2      PRO  14 -14.562  13.268  -1.869
  109    HG2  PRO  14           HG1      PRO  14 -16.301  12.007  -4.066
  110    HG3  PRO  14           HG2      PRO  14 -15.378  13.564  -4.131
  111    HD2  PRO  14           HD1      PRO  14 -14.310  11.224  -5.124
  112    HD3  PRO  14           HD2      PRO  14 -13.270  12.423  -4.236
  113    H    LYS  15           HN       LYS  15 -15.791   9.552  -3.577
  114    HA   LYS  15           HA       LYS  15 -18.047   8.522  -2.302
  115    HB2  LYS  15           HB1      LYS  15 -17.574   8.444  -4.747
  116    HB3  LYS  15           HB2      LYS  15 -16.176   7.359  -4.458
  117    HG2  LYS  15           HG1      LYS  15 -17.729   5.537  -3.710
  118    HG3  LYS  15           HG2      LYS  15 -19.110   6.662  -3.824
  119    HD2  LYS  15           HD1      LYS  15 -19.160   5.234  -5.760
  120    HD3  LYS  15           HD2      LYS  15 -18.749   6.898  -6.289
  121    HE2  LYS  15           HE1      LYS  15 -16.310   6.215  -6.498
  122    HE3  LYS  15           HE2      LYS  15 -16.745   4.548  -5.951
  123    HZ1  LYS  15           HZ1      LYS  15 -17.777   5.918  -8.396
  124    HZ2  LYS  15           HZ2      LYS  15 -18.185   4.356  -7.890
  125    HZ3  LYS  15           HZ3      LYS  15 -16.597   4.710  -8.351
  126    H    LEU  16           HN       LEU  16 -14.657   7.270  -2.269
  127    HA   LEU  16           HA       LEU  16 -15.382   5.051  -0.538
  128    HB2  LEU  16           HB1      LEU  16 -12.661   6.237  -1.356
  129    HB3  LEU  16           HB2      LEU  16 -12.886   4.723  -0.426
  130    HG   LEU  16           HG       LEU  16 -13.870   5.188  -3.304
  131   HD11  LEU  16          HD11      LEU  16 -11.981   3.688  -3.954
  132   HD12  LEU  16          HD12      LEU  16 -11.437   3.621  -2.239
  133   HD13  LEU  16          HD13      LEU  16 -11.378   5.180  -3.139
  134   HD21  LEU  16          HD21      LEU  16 -13.757   2.635  -1.569
  135   HD22  LEU  16          HD22      LEU  16 -14.166   2.682  -3.320
  136   HD23  LEU  16          HD23      LEU  16 -15.255   3.473  -2.121
  137    H    PHE  17           HN       PHE  17 -13.790   8.239  -0.280
  138    HA   PHE  17           HA       PHE  17 -12.825   7.930   2.264
  139    HB2  PHE  17           HB1      PHE  17 -12.458   9.744   0.304
  140    HB3  PHE  17           HB2      PHE  17 -13.589  10.727   1.299
  141    HD1  PHE  17           HD1      PHE  17 -12.959  11.032   3.811
  142    HD2  PHE  17           HD2      PHE  17 -10.225   9.443   0.899
  143    HE1  PHE  17           HE1      PHE  17 -11.068  11.524   5.318
  144    HE2  PHE  17           HE2      PHE  17  -8.329   9.937   2.414
  145    HZ   PHE  17           HZ       PHE  17  -8.748  10.986   4.623
  146    H2   ABA  18           HN       AGL  18 -15.987   9.403   1.352
  147    HA   ABA  18           HA       AGL  18 -16.636  10.222   3.946
  148    HB3  ABA  18           HB2      AGL  18 -18.993   9.437   2.241
  149    HB2  ABA  18           HB1      AGL  18 -17.788  10.356   1.338
  150    HG3  ABA  18           HG       AGL  18 -17.960  12.327   2.751
  151    H    LEU  19           HN       LEU  19 -17.165   7.109   2.349
  152    HA   LEU  19           HA       LEU  19 -18.760   5.985   4.441
  153    HB2  LEU  19           HB1      LEU  19 -17.140   4.681   2.178
  154    HB3  LEU  19           HB2      LEU  19 -18.328   3.828   3.214
  155    HG   LEU  19           HG       LEU  19 -18.973   6.136   1.283
  156   HD11  LEU  19          HD11      LEU  19 -18.273   4.072   0.102
  157   HD12  LEU  19          HD12      LEU  19 -20.038   4.370  -0.112
  158   HD13  LEU  19          HD13      LEU  19 -19.471   3.103   1.044
  159   HD21  LEU  19          HD21      LEU  19 -20.599   6.078   3.179
  160   HD22  LEU  19          HD22      LEU  19 -20.831   4.304   2.940
  161   HD23  LEU  19          HD23      LEU  19 -21.368   5.466   1.671
  162    H    VAL  20           HN       VAL  20 -15.240   5.651   3.568
  163    HA   VAL  20           HA       VAL  20 -14.796   3.734   5.562
  164    HB   VAL  20           HB       VAL  20 -13.427   4.040   3.521
  165   HG11  VAL  20          HG11      VAL  20 -11.991   6.239   5.160
  166   HG12  VAL  20          HG12      VAL  20 -11.548   5.625   3.530
  167   HG13  VAL  20          HG13      VAL  20 -13.084   6.546   3.761
  168   HG21  VAL  20          HG21      VAL  20 -12.789   2.531   5.424
  169   HG22  VAL  20          HG22      VAL  20 -11.340   3.267   4.644
  170   HG23  VAL  20          HG23      VAL  20 -11.925   3.896   6.224
  171    H    THR  21           HN       THR  21 -14.434   7.296   5.750
  172    HA   THR  21           HA       THR  21 -13.543   7.074   8.509
  173    HB   THR  21           HB       THR  21 -14.371   9.637   7.089
  174    HG1  THR  21           HG1      THR  21 -11.840   8.386   7.061
  175   HG21  THR  21          HG21      THR  21 -12.253   8.965   9.271
  176   HG22  THR  21          HG22      THR  21 -13.790   9.862   9.549
  177   HG23  THR  21          HG23      THR  21 -12.508  10.585   8.525
  178    H    LYS  22           HN       LYS  22 -16.403   6.420   7.236
  179    HA   LYS  22           HA       LYS  22 -18.518   6.413   7.788
  180    HB2  LYS  22           HB1      LYS  22 -17.104   5.256   9.651
  181    HB3  LYS  22           HB2      LYS  22 -17.572   6.646  10.672
  182    HG2  LYS  22           HG1      LYS  22 -20.055   5.988  10.049
  183    HG3  LYS  22           HG2      LYS  22 -19.366   4.460   9.429
  184    HD2  LYS  22           HD1      LYS  22 -19.135   5.618  12.282
  185    HD3  LYS  22           HD2      LYS  22 -20.233   4.293  11.775
  186    HE2  LYS  22           HE1      LYS  22 -18.250   2.819  11.276
  187    HE3  LYS  22           HE2      LYS  22 -17.127   4.150  11.766
  188    HZ1  LYS  22           HZ1      LYS  22 -18.116   4.113  13.961
  189    HZ2  LYS  22           HZ2      LYS  22 -17.492   2.591  13.555
  190    HZ3  LYS  22           HZ3      LYS  22 -19.166   2.861  13.517
  191    H    LYS  23           HN       LYS  23 -17.540   9.235   7.448
  192    HA   LYS  23           HA       LYS  23 -19.078  10.636   9.531
  193    HB2  LYS  23           HB1      LYS  23 -16.577  10.957   8.906
  194    HB3  LYS  23           HB2      LYS  23 -17.160  11.977   7.569
  195    HG2  LYS  23           HG1      LYS  23 -17.926  12.365  10.557
  196    HG3  LYS  23           HG2      LYS  23 -16.436  13.025   9.859
  197    HD2  LYS  23           HD1      LYS  23 -17.411  14.814   8.990
  198    HD3  LYS  23           HD2      LYS  23 -18.633  13.862   8.127
  199    HE2  LYS  23           HE1      LYS  23 -18.830  14.814  11.082
  200    HE3  LYS  23           HE2      LYS  23 -19.672  15.540   9.655
  201    HZ1  LYS  23           HZ1      LYS  23 -20.106  12.887  10.903
  202    HZ2  LYS  23           HZ2      LYS  23 -20.561  13.192   9.317
  203    HZ3  LYS  23           HZ3      LYS  23 -21.238  14.112  10.572
  204    H2   ABA  24           HN       AGL  24 -19.427   9.783   6.207
  205    HA   ABA  24           HA       AGL  24 -21.426  11.897   5.756
  206    HB3  ABA  24           HB2      AGL  24 -21.664  10.791   3.481
  207    HB2  ABA  24           HB1      AGL  24 -20.395   9.619   3.966
  208    HG3  ABA  24           HG       AGL  24 -19.918  12.710   4.040
  Start of MODEL   19
    1    H1   PHE   1           HN       PHE   1   6.422  -0.819  -1.527
    2    HA   PHE   1           HA       PHE   1   4.052   0.213  -1.694
    3    HB2  PHE   1           HB1      PHE   1   6.244   1.588  -0.004
    4    HB3  PHE   1           HB2      PHE   1   4.472   1.643   0.333
    5    HD1  PHE   1           HD1      PHE   1   3.322  -0.790   0.478
    6    HD2  PHE   1           HD2      PHE   1   7.482   0.039   1.183
    7    HE1  PHE   1           HE1      PHE   1   3.496  -2.830   1.866
    8    HE2  PHE   1           HE2      PHE   1   7.651  -2.000   2.577
    9    HZ   PHE   1           HZ       PHE   1   5.656  -3.435   2.923
   10    H    LEU   2           HN       LEU   2   3.248   1.445  -3.367
   11    HA   LEU   2           HA       LEU   2   4.547   4.070  -3.841
   12    HB2  LEU   2           HB1      LEU   2   3.040   2.253  -5.763
   13    HB3  LEU   2           HB2      LEU   2   3.379   3.979  -6.066
   14    HG   LEU   2           HG       LEU   2   5.899   3.334  -5.558
   15   HD11  LEU   2          HD11      LEU   2   5.562   0.933  -4.920
   16   HD12  LEU   2          HD12      LEU   2   6.497   1.047  -6.450
   17   HD13  LEU   2          HD13      LEU   2   4.752   0.623  -6.498
   18   HD21  LEU   2          HD21      LEU   2   6.206   2.927  -8.023
   19   HD22  LEU   2          HD22      LEU   2   4.999   4.236  -7.711
   20   HD23  LEU   2          HD23      LEU   2   4.450   2.586  -8.174
   21    HA   PRO   3           HA       PRO   3   0.370   4.872  -2.283
   22    HB2  PRO   3           HB1      PRO   3   0.890   6.693  -0.304
   23    HB3  PRO   3           HB2      PRO   3   1.534   5.013  -0.184
   24    HG2  PRO   3           HG1      PRO   3   3.015   7.487  -1.268
   25    HG3  PRO   3           HG2      PRO   3   3.560   6.357   0.043
   26    HD2  PRO   3           HD1      PRO   3   4.338   6.015  -2.605
   27    HD3  PRO   3           HD2      PRO   3   3.985   4.604  -1.509
   28    H    ILE   4           HN       ILE   4   2.014   6.626  -4.422
   29    HA   ILE   4           HA       ILE   4   1.040   9.146  -4.648
   30    HB   ILE   4           HB       ILE   4   1.326   7.132  -6.925
   31   HG12  ILE   4          HG11      ILE   4   3.500   8.633  -7.194
   32   HG13  ILE   4          HG12      ILE   4   3.336   8.919  -5.444
   33   HG21  ILE   4          HG21      ILE   4   1.250  10.230  -6.885
   34   HG22  ILE   4          HG22      ILE   4   1.678   9.217  -8.305
   35   HG23  ILE   4          HG23      ILE   4   0.019   9.143  -7.640
   36   HD11  ILE   4           HD1      ILE   4   3.584   6.427  -5.041
   37   HD12  ILE   4           HD2      ILE   4   3.514   6.140  -6.826
   38   HD13  ILE   4           HD3      ILE   4   4.912   7.008  -6.103
   39    H    LEU   5           HN       LEU   5  -0.683   6.329  -6.121
   40    HA   LEU   5           HA       LEU   5  -2.944   7.775  -6.806
   41    HB2  LEU   5           HB1      LEU   5  -2.652   4.776  -6.259
   42    HB3  LEU   5           HB2      LEU   5  -4.018   5.543  -7.124
   43    HG   LEU   5           HG       LEU   5  -1.086   5.539  -8.065
   44   HD11  LEU   5          HD11      LEU   5  -3.576   4.018  -9.061
   45   HD12  LEU   5          HD12      LEU   5  -2.206   3.305  -8.134
   46   HD13  LEU   5          HD13      LEU   5  -1.933   3.954  -9.795
   47   HD21  LEU   5          HD21      LEU   5  -3.635   6.609  -9.449
   48   HD22  LEU   5          HD22      LEU   5  -2.027   6.412 -10.227
   49   HD23  LEU   5          HD23      LEU   5  -2.228   7.597  -8.895
   50    H    ALA   6           HN       ALA   6  -2.299   6.155  -3.669
   51    HA   ALA   6           HA       ALA   6  -4.925   6.407  -2.651
   52    HB1  ALA   6           HB1      ALA   6  -3.139   4.953  -1.651
   53    HB2  ALA   6           HB2      ALA   6  -2.203   6.425  -1.203
   54    HB3  ALA   6           HB3      ALA   6  -3.803   6.102  -0.436
   55    H    SER   7           HN       SER   7  -2.166   8.650  -2.691
   56    HA   SER   7           HA       SER   7  -3.316  10.674  -1.085
   57    HB2  SER   7           HB1      SER   7  -1.185  10.955  -3.292
   58    HB3  SER   7           HB2      SER   7  -1.617  12.218  -2.091
   59    HG   SER   7           HG1      SER   7  -0.486   9.661  -1.578
   60    H    LEU   8           HN       LEU   8  -3.451  10.018  -4.542
   61    HA   LEU   8           HA       LEU   8  -4.892  12.337  -5.349
   62    HB2  LEU   8           HB1      LEU   8  -3.410  10.878  -6.820
   63    HB3  LEU   8           HB2      LEU   8  -4.583   9.550  -6.626
   64    HG   LEU   8           HG       LEU   8  -6.345  11.080  -7.724
   65   HD11  LEU   8          HD11      LEU   8  -5.182  13.296  -7.458
   66   HD12  LEU   8          HD12      LEU   8  -5.477  12.900  -9.189
   67   HD13  LEU   8          HD13      LEU   8  -3.830  12.702  -8.503
   68   HD21  LEU   8          HD21      LEU   8  -3.871  10.265  -9.373
   69   HD22  LEU   8          HD22      LEU   8  -5.521  10.587 -10.013
   70   HD23  LEU   8          HD23      LEU   8  -5.248   9.189  -8.912
   71    H    ALA   9           HN       ALA   9  -5.857   8.924  -4.672
   72    HA   ALA   9           HA       ALA   9  -8.539   9.110  -5.194
   73    HB1  ALA   9           HB1      ALA   9  -7.250   6.983  -4.915
   74    HB2  ALA   9           HB2      ALA   9  -7.066   7.327  -3.158
   75    HB3  ALA   9           HB3      ALA   9  -8.702   6.997  -3.852
   76    H    ALA  10           HN       ALA  10  -6.845   9.913  -2.170
   77    HA   ALA  10           HA       ALA  10  -9.123  10.421  -0.623
   78    HB1  ALA  10           HB1      ALA  10  -6.822  10.122   0.261
   79    HB2  ALA  10           HB2      ALA  10  -6.306  11.651  -0.531
   80    HB3  ALA  10           HB3      ALA  10  -7.518  11.683   0.823
   81    H    LYS  11           HN       LYS  11  -8.233  12.195  -3.435
   82    HA   LYS  11           HA       LYS  11  -9.851  14.519  -2.508
   83    HB2  LYS  11           HB1      LYS  11  -7.650  14.305  -4.644
   84    HB3  LYS  11           HB2      LYS  11  -8.828  15.647  -4.624
   85    HG2  LYS  11           HG1      LYS  11  -6.728  16.362  -3.653
   86    HG3  LYS  11           HG2      LYS  11  -8.051  16.445  -2.443
   87    HD2  LYS  11           HD1      LYS  11  -7.282  14.463  -1.311
   88    HD3  LYS  11           HD2      LYS  11  -6.209  14.022  -2.685
   89    HE2  LYS  11           HE1      LYS  11  -4.709  15.981  -2.100
   90    HE3  LYS  11           HE2      LYS  11  -5.773  16.332  -0.669
   91    HZ1  LYS  11           HZ1      LYS  11  -3.844  14.862  -0.174
   92    HZ2  LYS  11           HZ2      LYS  11  -4.504  13.708  -1.245
   93    HZ3  LYS  11           HZ3      LYS  11  -5.353  14.141   0.149
   94    H    PHE  12           HN       PHE  12  -9.220  12.241  -5.253
   95    HA   PHE  12           HA       PHE  12 -11.616  13.266  -6.572
   96    HB2  PHE  12           HB1      PHE  12  -9.348  11.360  -7.402
   97    HB3  PHE  12           HB2      PHE  12 -10.795  11.664  -8.438
   98    HD1  PHE  12           HD1      PHE  12  -7.679  13.136  -7.122
   99    HD2  PHE  12           HD2      PHE  12 -11.281  13.874  -9.339
  100    HE1  PHE  12           HE1      PHE  12  -6.700  15.235  -8.018
  101    HE2  PHE  12           HE2      PHE  12 -10.304  15.963 -10.237
  102    HZ   PHE  12           HZ       PHE  12  -8.013  16.644  -9.580
  103    H    GLY  13           HN       GLY  13 -11.112  10.838  -4.288
  104    HA2  GLY  13           HA1      GLY  13 -13.526   9.394  -5.238
  105    HA3  GLY  13           HA2      GLY  13 -12.204   8.728  -4.230
  106    HA   PRO  14           HA       PRO  14 -14.109  11.410  -0.972
  107    HB2  PRO  14           HB1      PRO  14 -16.221  13.198  -1.387
  108    HB3  PRO  14           HB2      PRO  14 -14.502  13.618  -1.743
  109    HG2  PRO  14           HG1      PRO  14 -16.583  12.551  -3.740
  110    HG3  PRO  14           HG2      PRO  14 -15.539  14.025  -3.893
  111    HD2  PRO  14           HD1      PRO  14 -14.760  11.645  -5.032
  112    HD3  PRO  14           HD2      PRO  14 -13.554  12.712  -4.189
  113    H    LYS  15           HN       LYS  15 -16.358  10.042  -3.267
  114    HA   LYS  15           HA       LYS  15 -18.457   9.301  -1.554
  115    HB2  LYS  15           HB1      LYS  15 -18.523   9.110  -4.048
  116    HB3  LYS  15           HB2      LYS  15 -17.217   7.891  -3.996
  117    HG2  LYS  15           HG1      LYS  15 -18.792   6.341  -2.702
  118    HG3  LYS  15           HG2      LYS  15 -20.092   7.552  -2.928
  119    HD2  LYS  15           HD1      LYS  15 -19.869   7.320  -5.413
  120    HD3  LYS  15           HD2      LYS  15 -18.477   6.208  -5.189
  121    HE2  LYS  15           HE1      LYS  15 -20.000   4.547  -4.017
  122    HE3  LYS  15           HE2      LYS  15 -21.404   5.640  -4.332
  123    HZ1  LYS  15           HZ1      LYS  15 -20.952   5.421  -6.709
  124    HZ2  LYS  15           HZ2      LYS  15 -21.215   3.907  -5.994
  125    HZ3  LYS  15           HZ3      LYS  15 -19.646   4.393  -6.399
  126    H    LEU  16           HN       LEU  16 -15.344   7.607  -2.248
  127    HA   LEU  16           HA       LEU  16 -15.947   5.368  -0.568
  128    HB2  LEU  16           HB1      LEU  16 -13.274   6.452  -1.643
  129    HB3  LEU  16           HB2      LEU  16 -13.504   4.850  -0.874
  130    HG   LEU  16           HG       LEU  16 -14.805   5.769  -3.510
  131   HD11  LEU  16          HD11      LEU  16 -12.464   3.835  -2.979
  132   HD12  LEU  16          HD12      LEU  16 -12.332   5.486  -3.689
  133   HD13  LEU  16          HD13      LEU  16 -13.205   4.186  -4.582
  134   HD21  LEU  16          HD21      LEU  16 -14.783   3.015  -2.111
  135   HD22  LEU  16          HD22      LEU  16 -15.387   3.330  -3.775
  136   HD23  LEU  16          HD23      LEU  16 -16.230   4.064  -2.359
  137    H    PHE  17           HN       PHE  17 -14.099   8.387  -0.205
  138    HA   PHE  17           HA       PHE  17 -13.023   7.849   2.291
  139    HB2  PHE  17           HB1      PHE  17 -12.579   9.744   0.433
  140    HB3  PHE  17           HB2      PHE  17 -13.701  10.723   1.438
  141    HD1  PHE  17           HD1      PHE  17 -13.062  11.136   3.879
  142    HD2  PHE  17           HD2      PHE  17 -10.405   9.181   1.127
  143    HE1  PHE  17           HE1      PHE  17 -11.175  11.495   5.442
  144    HE2  PHE  17           HE2      PHE  17  -8.515   9.552   2.685
  145    HZ   PHE  17           HZ       PHE  17  -8.904  10.700   4.851
  146    H2   ABA  18           HN       AGL  18 -16.112   9.538   1.502
  147    HA   ABA  18           HA       AGL  18 -16.843  10.066   4.168
  148    HB3  ABA  18           HB2      AGL  18 -18.441   9.714   1.574
  149    HB2  ABA  18           HB1      AGL  18 -17.837  11.237   2.244
  150    HG3  ABA  18           HG       AGL  18 -20.350   9.699   3.001
  151    H    LEU  19           HN       LEU  19 -17.650   7.206   2.078
  152    HA   LEU  19           HA       LEU  19 -19.242   5.988   4.061
  153    HB2  LEU  19           HB1      LEU  19 -17.764   4.851   1.636
  154    HB3  LEU  19           HB2      LEU  19 -18.920   3.897   2.624
  155    HG   LEU  19           HG       LEU  19 -19.645   6.492   1.144
  156   HD11  LEU  19          HD11      LEU  19 -20.178   3.566   0.335
  157   HD12  LEU  19          HD12      LEU  19 -19.038   4.711  -0.477
  158   HD13  LEU  19          HD13      LEU  19 -20.815   5.034  -0.495
  159   HD21  LEU  19          HD21      LEU  19 -21.407   4.358   2.511
  160   HD22  LEU  19          HD22      LEU  19 -22.010   5.743   1.527
  161   HD23  LEU  19          HD23      LEU  19 -21.154   6.052   3.078
  162    H    VAL  20           HN       VAL  20 -15.722   5.420   3.321
  163    HA   VAL  20           HA       VAL  20 -15.566   3.389   5.281
  164    HB   VAL  20           HB       VAL  20 -14.042   3.618   3.349
  165   HG11  VAL  20          HG11      VAL  20 -13.496   6.096   3.604
  166   HG12  VAL  20          HG12      VAL  20 -12.543   5.696   5.084
  167   HG13  VAL  20          HG13      VAL  20 -12.046   5.034   3.494
  168   HG21  VAL  20          HG21      VAL  20 -12.095   2.701   4.607
  169   HG22  VAL  20          HG22      VAL  20 -12.749   3.358   6.147
  170   HG23  VAL  20          HG23      VAL  20 -13.643   2.060   5.270
  171    H    THR  21           HN       THR  21 -14.788   6.877   5.487
  172    HA   THR  21           HA       THR  21 -13.986   6.698   8.215
  173    HB   THR  21           HB       THR  21 -14.879   9.315   6.954
  174    HG1  THR  21           HG1      THR  21 -13.527   8.592   5.446
  175   HG21  THR  21          HG21      THR  21 -14.083   9.218   9.413
  176   HG22  THR  21          HG22      THR  21 -12.954  10.144   8.349
  177   HG23  THR  21          HG23      THR  21 -12.556   8.462   8.833
  178    H    LYS  22           HN       LYS  22 -17.043   6.792   6.690
  179    HA   LYS  22           HA       LYS  22 -19.108   6.717   7.359
  180    HB2  LYS  22           HB1      LYS  22 -17.750   4.995   8.751
  181    HB3  LYS  22           HB2      LYS  22 -18.101   6.068  10.153
  182    HG2  LYS  22           HG1      LYS  22 -20.618   5.746   9.507
  183    HG3  LYS  22           HG2      LYS  22 -20.071   4.461   8.397
  184    HD2  LYS  22           HD1      LYS  22 -19.722   4.577  11.478
  185    HD3  LYS  22           HD2      LYS  22 -20.889   3.596  10.564
  186    HE2  LYS  22           HE1      LYS  22 -19.207   2.049  11.221
  187    HE3  LYS  22           HE2      LYS  22 -18.900   2.353   9.466
  188    HZ1  LYS  22           HZ1      LYS  22 -17.476   3.632  11.760
  189    HZ2  LYS  22           HZ2      LYS  22 -17.177   3.920  10.120
  190    HZ3  LYS  22           HZ3      LYS  22 -16.866   2.389  10.776
  191    H    LYS  23           HN       LYS  23 -17.664   9.408   8.006
  192    HA   LYS  23           HA       LYS  23 -19.837  10.471   9.730
  193    HB2  LYS  23           HB1      LYS  23 -18.310  11.660  11.134
  194    HB3  LYS  23           HB2      LYS  23 -17.808   9.960  11.117
  195    HG2  LYS  23           HG1      LYS  23 -15.837  10.323  10.054
  196    HG3  LYS  23           HG2      LYS  23 -16.382  11.694   9.058
  197    HD2  LYS  23           HD1      LYS  23 -16.004  11.987  12.104
  198    HD3  LYS  23           HD2      LYS  23 -14.641  12.080  10.964
  199    HE2  LYS  23           HE1      LYS  23 -15.362  14.355  11.488
  200    HE3  LYS  23           HE2      LYS  23 -15.655  13.996   9.744
  201    HZ1  LYS  23           HZ1      LYS  23 -17.737  13.850  11.875
  202    HZ2  LYS  23           HZ2      LYS  23 -17.952  13.663  10.208
  203    HZ3  LYS  23           HZ3      LYS  23 -17.507  15.164  10.824
  204    H2   ABA  24           HN       AGL  24 -19.218  10.779   6.713
  205    HA   ABA  24           HA       AGL  24 -18.436  13.530   6.484
  206    HB3  ABA  24           HB2      AGL  24 -17.881  12.093   4.656
  207    HB2  ABA  24           HB1      AGL  24 -19.025  13.333   4.087
  208    HG3  ABA  24           HG       AGL  24 -20.884  11.335   4.637
  Start of MODEL   20
    1    H1   PHE   1           HN       PHE   1   0.951   0.800   0.529
    2    HA   PHE   1           HA       PHE   1   0.251  -0.264  -1.866
    3    HB2  PHE   1           HB1      PHE   1  -2.129   0.416  -1.043
    4    HB3  PHE   1           HB2      PHE   1  -1.606   2.126  -1.186
    5    HD1  PHE   1           HD1      PHE   1  -2.037   3.179  -3.270
    6    HD2  PHE   1           HD2      PHE   1  -1.726  -1.106  -3.147
    7    HE1  PHE   1           HE1      PHE   1  -2.655   3.059  -5.672
    8    HE2  PHE   1           HE2      PHE   1  -2.330  -1.218  -5.545
    9    HZ   PHE   1           HZ       PHE   1  -2.788   0.863  -6.808
   10    H    LEU   2           HN       LEU   2   0.300   1.915  -3.570
   11    HA   LEU   2           HA       LEU   2   2.893   3.015  -2.996
   12    HB2  LEU   2           HB1      LEU   2   1.029   3.242  -5.397
   13    HB3  LEU   2           HB2      LEU   2   2.561   4.161  -5.257
   14    HG   LEU   2           HG       LEU   2   3.794   1.950  -4.968
   15   HD11  LEU   2          HD11      LEU   2   2.710  -0.076  -6.027
   16   HD12  LEU   2          HD12      LEU   2   1.125   0.773  -5.988
   17   HD13  LEU   2          HD13      LEU   2   1.973   0.350  -4.449
   18   HD21  LEU   2          HD21      LEU   2   3.806   3.304  -7.069
   19   HD22  LEU   2          HD22      LEU   2   2.307   2.463  -7.620
   20   HD23  LEU   2          HD23      LEU   2   3.836   1.536  -7.425
   21    HA   PRO   3           HA       PRO   3   0.655   6.055  -0.847
   22    HB2  PRO   3           HB1      PRO   3   2.661   7.811   0.089
   23    HB3  PRO   3           HB2      PRO   3   2.418   6.125   0.679
   24    HG2  PRO   3           HG1      PRO   3   4.355   7.048  -1.516
   25    HG3  PRO   3           HG2      PRO   3   4.713   6.016  -0.067
   26    HD2  PRO   3           HD1      PRO   3   4.203   4.837  -2.485
   27    HD3  PRO   3           HD2      PRO   3   3.435   4.161  -0.978
   28    H    ILE   4           HN       ILE   4   2.649   7.369  -3.404
   29    HA   ILE   4           HA       ILE   4   1.615   9.861  -3.886
   30    HB   ILE   4           HB       ILE   4   2.205   7.690  -5.944
   31   HG12  ILE   4          HG11      ILE   4   4.038   9.838  -4.715
   32   HG13  ILE   4          HG12      ILE   4   4.106   8.091  -4.325
   33   HG21  ILE   4          HG21      ILE   4   2.103  10.785  -6.157
   34   HG22  ILE   4          HG22      ILE   4   2.592   9.664  -7.475
   35   HG23  ILE   4          HG23      ILE   4   0.907   9.653  -6.891
   36   HD11  ILE   4           HD1      ILE   4   4.707   9.356  -7.072
   37   HD12  ILE   4           HD2      ILE   4   5.867   8.582  -5.943
   38   HD13  ILE   4           HD3      ILE   4   4.610   7.584  -6.765
   39    H    LEU   5           HN       LEU   5   0.242   6.863  -5.298
   40    HA   LEU   5           HA       LEU   5  -2.106   7.988  -6.256
   41    HB2  LEU   5           HB1      LEU   5  -1.379   5.097  -5.505
   42    HB3  LEU   5           HB2      LEU   5  -2.890   5.566  -6.342
   43    HG   LEU   5           HG       LEU   5  -1.447   4.684  -7.961
   44   HD11  LEU   5          HD11      LEU   5  -2.790   6.683  -8.660
   45   HD12  LEU   5          HD12      LEU   5  -1.286   6.476  -9.626
   46   HD13  LEU   5          HD13      LEU   5  -1.358   7.741  -8.353
   47   HD21  LEU   5          HD21      LEU   5   0.779   5.386  -8.554
   48   HD22  LEU   5          HD22      LEU   5   0.770   5.007  -6.793
   49   HD23  LEU   5          HD23      LEU   5   0.765   6.731  -7.369
   50    H    ALA   6           HN       ALA   6  -1.412   6.683  -2.991
   51    HA   ALA   6           HA       ALA   6  -4.084   6.599  -2.126
   52    HB1  ALA   6           HB1      ALA   6  -3.149   6.675   0.163
   53    HB2  ALA   6           HB2      ALA   6  -2.155   5.593  -0.876
   54    HB3  ALA   6           HB3      ALA   6  -1.568   7.250  -0.481
   55    H    SER   7           HN       SER   7  -1.793   9.385  -2.171
   56    HA   SER   7           HA       SER   7  -3.685  11.215  -1.070
   57    HB2  SER   7           HB1      SER   7  -1.223  11.689  -1.155
   58    HB3  SER   7           HB2      SER   7  -1.364  11.934  -2.928
   59    HG   SER   7           HG1      SER   7  -1.508  13.874  -1.681
   60    H    LEU   8           HN       LEU   8  -3.046  10.199  -4.452
   61    HA   LEU   8           HA       LEU   8  -4.810  12.029  -5.669
   62    HB2  LEU   8           HB1      LEU   8  -3.014  10.549  -6.768
   63    HB3  LEU   8           HB2      LEU   8  -4.132   9.169  -6.566
   64    HG   LEU   8           HG       LEU   8  -5.835  10.463  -7.990
   65   HD11  LEU   8          HD11      LEU   8  -4.871  12.780  -7.732
   66   HD12  LEU   8          HD12      LEU   8  -4.948  12.277  -9.458
   67   HD13  LEU   8          HD13      LEU   8  -3.374  12.240  -8.588
   68   HD21  LEU   8          HD21      LEU   8  -4.703   9.887 -10.129
   69   HD22  LEU   8          HD22      LEU   8  -4.436   8.603  -8.894
   70   HD23  LEU   8          HD23      LEU   8  -3.119   9.776  -9.283
   71    H    ALA   9           HN       ALA   9  -5.392   8.691  -4.460
   72    HA   ALA   9           HA       ALA   9  -8.125   8.553  -4.980
   73    HB1  ALA   9           HB1      ALA   9  -6.456   7.248  -2.741
   74    HB2  ALA   9           HB2      ALA   9  -8.084   6.692  -3.292
   75    HB3  ALA   9           HB3      ALA   9  -6.669   6.600  -4.403
   76    H    ALA  10           HN       ALA  10  -6.439   9.747  -2.011
   77    HA   ALA  10           HA       ALA  10  -8.897  10.663  -0.827
   78    HB1  ALA  10           HB1      ALA  10  -7.387  11.600   0.923
   79    HB2  ALA  10           HB2      ALA  10  -6.936   9.901   0.535
   80    HB3  ALA  10           HB3      ALA  10  -5.959  11.252  -0.133
   81    H    LYS  11           HN       LYS  11  -8.631  11.640  -3.422
   82    HA   LYS  11           HA       LYS  11  -9.035  14.463  -2.953
   83    HB2  LYS  11           HB1      LYS  11  -6.550  13.647  -4.048
   84    HB3  LYS  11           HB2      LYS  11  -7.507  13.923  -5.506
   85    HG2  LYS  11           HG1      LYS  11  -6.342  15.980  -5.032
   86    HG3  LYS  11           HG2      LYS  11  -8.076  16.230  -4.715
   87    HD2  LYS  11           HD1      LYS  11  -6.918  17.362  -3.010
   88    HD3  LYS  11           HD2      LYS  11  -7.629  15.948  -2.203
   89    HE2  LYS  11           HE1      LYS  11  -4.673  16.096  -3.163
   90    HE3  LYS  11           HE2      LYS  11  -5.222  16.656  -1.537
   91    HZ1  LYS  11           HZ1      LYS  11  -4.443  14.430  -1.303
   92    HZ2  LYS  11           HZ2      LYS  11  -5.326  13.870  -2.588
   93    HZ3  LYS  11           HZ3      LYS  11  -6.149  14.361  -1.239
   94    H    PHE  12           HN       PHE  12  -8.802  12.037  -5.640
   95    HA   PHE  12           HA       PHE  12 -11.289  13.065  -6.742
   96    HB2  PHE  12           HB1      PHE  12  -9.204  10.986  -7.674
   97    HB3  PHE  12           HB2      PHE  12 -10.702  11.364  -8.605
   98    HD1  PHE  12           HD1      PHE  12  -7.354  12.553  -7.705
   99    HD2  PHE  12           HD2      PHE  12 -11.111  13.615  -9.490
  100    HE1  PHE  12           HE1      PHE  12  -6.284  14.512  -8.800
  101    HE2  PHE  12           HE2      PHE  12 -10.043  15.558 -10.591
  102    HZ   PHE  12           HZ       PHE  12  -7.630  16.007 -10.247
  103    H    GLY  13           HN       GLY  13 -10.614  10.677  -4.422
  104    HA2  GLY  13           HA1      GLY  13 -13.027   9.135  -5.175
  105    HA3  GLY  13           HA2      GLY  13 -11.653   8.595  -4.168
  106    HA   PRO  14           HA       PRO  14 -13.860  11.164  -0.947
  107    HB2  PRO  14           HB1      PRO  14 -16.071  12.786  -1.487
  108    HB3  PRO  14           HB2      PRO  14 -14.373  13.351  -1.714
  109    HG2  PRO  14           HG1      PRO  14 -16.222  12.170  -3.864
  110    HG3  PRO  14           HG2      PRO  14 -15.282  13.718  -3.927
  111    HD2  PRO  14           HD1      PRO  14 -14.286  11.403  -5.035
  112    HD3  PRO  14           HD2      PRO  14 -13.193  12.552  -4.148
  113    H    LYS  15           HN       LYS  15 -15.756   9.707  -3.441
  114    HA   LYS  15           HA       LYS  15 -17.928   8.631  -2.058
  115    HB2  LYS  15           HB1      LYS  15 -17.590   8.619  -4.533
  116    HB3  LYS  15           HB2      LYS  15 -16.148   7.581  -4.347
  117    HG2  LYS  15           HG1      LYS  15 -17.628   5.702  -3.520
  118    HG3  LYS  15           HG2      LYS  15 -19.061   6.751  -3.775
  119    HD2  LYS  15           HD1      LYS  15 -18.472   6.958  -6.205
  120    HD3  LYS  15           HD2      LYS  15 -16.999   5.969  -5.937
  121    HE2  LYS  15           HE1      LYS  15 -18.435   3.984  -5.316
  122    HE3  LYS  15           HE2      LYS  15 -19.918   4.974  -5.621
  123    HZ1  LYS  15           HZ1      LYS  15 -19.329   3.621  -7.530
  124    HZ2  LYS  15           HZ2      LYS  15 -17.797   4.328  -7.623
  125    HZ3  LYS  15           HZ3      LYS  15 -19.175   5.261  -7.913
  126    H    LEU  16           HN       LEU  16 -14.571   7.295  -2.397
  127    HA   LEU  16           HA       LEU  16 -15.147   5.027  -0.711
  128    HB2  LEU  16           HB1      LEU  16 -12.504   6.267  -1.679
  129    HB3  LEU  16           HB2      LEU  16 -12.641   4.713  -0.800
  130    HG   LEU  16           HG       LEU  16 -13.874   5.288  -3.558
  131   HD11  LEU  16          HD11      LEU  16 -11.363   3.682  -2.770
  132   HD12  LEU  16          HD12      LEU  16 -11.377   5.275  -3.611
  133   HD13  LEU  16          HD13      LEU  16 -12.054   3.816  -4.427
  134   HD21  LEU  16          HD21      LEU  16 -13.619   2.671  -1.937
  135   HD22  LEU  16          HD22      LEU  16 -14.170   2.783  -3.644
  136   HD23  LEU  16          HD23      LEU  16 -15.158   3.525  -2.332
  137    H    PHE  17           HN       PHE  17 -13.599   8.215  -0.327
  138    HA   PHE  17           HA       PHE  17 -12.555   7.798   2.190
  139    HB2  PHE  17           HB1      PHE  17 -12.195   9.708   0.388
  140    HB3  PHE  17           HB2      PHE  17 -13.516  10.566   1.254
  141    HD1  PHE  17           HD1      PHE  17 -13.133  11.314   3.599
  142    HD2  PHE  17           HD2      PHE  17 -10.068   9.247   1.408
  143    HE1  PHE  17           HE1      PHE  17 -11.459  11.998   5.291
  144    HE2  PHE  17           HE2      PHE  17  -8.393   9.940   3.098
  145    HZ   PHE  17           HZ       PHE  17  -9.090  11.316   5.040
  146    H2   ABA  18           HN       AGL  18 -15.801   9.185   1.383
  147    HA   ABA  18           HA       AGL  18 -16.593   9.546   4.061
  148    HB3  ABA  18           HB2      AGL  18 -18.206   9.083   1.499
  149    HB2  ABA  18           HB1      AGL  18 -17.725  10.652   2.172
  150    HG3  ABA  18           HG       AGL  18 -20.034   8.854   3.014
  151    H    LEU  19           HN       LEU  19 -16.913   6.629   1.929
  152    HA   LEU  19           HA       LEU  19 -18.456   5.170   3.776
  153    HB2  LEU  19           HB1      LEU  19 -16.590   4.289   1.514
  154    HB3  LEU  19           HB2      LEU  19 -17.619   3.143   2.432
  155    HG   LEU  19           HG       LEU  19 -18.723   5.522   0.838
  156   HD11  LEU  19          HD11      LEU  19 -19.382   3.824  -0.868
  157   HD12  LEU  19          HD12      LEU  19 -18.528   2.540   0.071
  158   HD13  LEU  19          HD13      LEU  19 -17.590   3.897  -0.664
  159   HD21  LEU  19          HD21      LEU  19 -20.271   4.771   2.648
  160   HD22  LEU  19          HD22      LEU  19 -20.103   3.062   2.097
  161   HD23  LEU  19          HD23      LEU  19 -20.901   4.280   1.036
  162    H    VAL  20           HN       VAL  20 -14.831   5.162   3.365
  163    HA   VAL  20           HA       VAL  20 -14.552   3.286   5.480
  164    HB   VAL  20           HB       VAL  20 -12.188   3.766   5.531
  165   HG11  VAL  20          HG11      VAL  20 -13.211   2.207   3.838
  166   HG12  VAL  20          HG12      VAL  20 -13.342   3.574   2.666
  167   HG13  VAL  20          HG13      VAL  20 -11.725   3.015   3.220
  168   HG21  VAL  20          HG21      VAL  20 -12.846   6.012   3.502
  169   HG22  VAL  20          HG22      VAL  20 -12.135   6.237   5.149
  170   HG23  VAL  20          HG23      VAL  20 -11.202   5.388   3.876
  171    H    THR  21           HN       THR  21 -14.444   6.853   5.501
  172    HA   THR  21           HA       THR  21 -13.753   7.094   8.217
  173    HB   THR  21           HB       THR  21 -15.329   9.204   6.692
  174    HG1  THR  21           HG1      THR  21 -13.554   8.788   5.465
  175   HG21  THR  21          HG21      THR  21 -13.140   9.307   8.896
  176   HG22  THR  21          HG22      THR  21 -14.891   9.476   9.254
  177   HG23  THR  21          HG23      THR  21 -14.043  10.707   8.231
  178    H    LYS  22           HN       LYS  22 -16.902   6.830   6.636
  179    HA   LYS  22           HA       LYS  22 -18.972   6.717   7.217
  180    HB2  LYS  22           HB1      LYS  22 -18.076   5.724   9.951
  181    HB3  LYS  22           HB2      LYS  22 -19.622   5.353   9.148
  182    HG2  LYS  22           HG1      LYS  22 -18.637   3.859   7.582
  183    HG3  LYS  22           HG2      LYS  22 -16.990   4.461   7.820
  184    HD2  LYS  22           HD1      LYS  22 -18.602   2.764   9.802
  185    HD3  LYS  22           HD2      LYS  22 -17.194   2.277   8.819
  186    HE2  LYS  22           HE1      LYS  22 -17.256   4.079  11.311
  187    HE3  LYS  22           HE2      LYS  22 -16.316   2.568  11.018
  188    HZ1  LYS  22           HZ1      LYS  22 -15.853   5.301   9.975
  189    HZ2  LYS  22           HZ2      LYS  22 -15.188   3.998   9.177
  190    HZ3  LYS  22           HZ3      LYS  22 -14.783   4.288  10.798
  191    H    LYS  23           HN       LYS  23 -17.495   9.321   8.355
  192    HA   LYS  23           HA       LYS  23 -19.986  10.101   9.779
  193    HB2  LYS  23           HB1      LYS  23 -18.910  11.536  11.295
  194    HB3  LYS  23           HB2      LYS  23 -18.119   9.956  11.345
  195    HG2  LYS  23           HG1      LYS  23 -16.339  11.427  11.561
  196    HG3  LYS  23           HG2      LYS  23 -16.251  10.832   9.887
  197    HD2  LYS  23           HD1      LYS  23 -15.597  13.127   9.975
  198    HD3  LYS  23           HD2      LYS  23 -17.098  13.050   9.039
  199    HE2  LYS  23           HE1      LYS  23 -16.884  13.946  12.019
  200    HE3  LYS  23           HE2      LYS  23 -16.853  15.048  10.590
  201    HZ1  LYS  23           HZ1      LYS  23 -19.044  15.119  11.067
  202    HZ2  LYS  23           HZ2      LYS  23 -19.096  13.559  11.734
  203    HZ3  LYS  23           HZ3      LYS  23 -19.063  13.750  10.065
  204    H2   ABA  24           HN       AGL  24 -19.020  10.303   6.813
  205    HA   ABA  24           HA       AGL  24 -18.619  13.054   6.355
  206    HB3  ABA  24           HB2      AGL  24 -17.787  11.432   4.769
  207    HB2  ABA  24           HB1      AGL  24 -18.917  12.548   3.961
  208    HG3  ABA  24           HG       AGL  24 -20.670  10.415   4.682