*HEADER    TOXIN                                   31-OCT-18   6MY1              
*TITLE     SOLUTION STRUCTURE OF GOMESIN AT 278 K                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GOMESIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ACANTHOSCURRIA GOMESIANA;                       
*SOURCE   4 ORGANISM_TAXID: 115339                                               
*KEYWDS    PEPTIDES, BETA HAIRPIN MOTIF, TOXIN                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.K.-Y.CHIN,E.DEPLAZES                                                
*REVDAT   1   06-NOV-19 6MY1    0                                                
# Restraints file 1: gms278.upl
 10 ARG  HA     11 CYSS H       2.54            #peak 1 #SUP 0.81 #QF 0.81
 14 TYR  HA     15 CYSS H       2.57            #peak 2 #SUP 0.57 #QF 0.57
  6 CYSS HB3     7 TYR  H       3.36            #peak 4 #SUP 0.96 #QF 0.96
  7 TYR  H       7 TYR  QB      2.99            #peak 6 #SUP 0.92 #QF 0.92
  8 LYS  H       8 LYS  HG3     3.69            #peak 7 #SUP 0.93 #QF 0.93
  8 LYS  H       8 LYS  HG2     3.69            #peak 8 #SUP 0.95 #QF 0.95
 13 THR  QG2    14 TYR  H       3.27            #peak 9 #SUP 0.99 #QF 0.99
  8 LYS  H       9 GLN  QG      5.03            #peak 10 #SUP 0.99 #QF 0.99
  2 CYSS HB3    14 TYR  H       4.48            #peak 11 #SUP 0.98 #QF 0.98
 14 TYR  H      14 TYR  HB2     3.64            #peak 12 #SUP 0.91 #QF 0.91
 14 TYR  H      14 TYR  HB3     3.64            #peak 13 #SUP 0.99 #QF 0.99
 13 THR  HB     14 TYR  H       4.35            #peak 14 #SUP 0.96 #QF 0.96
  8 LYS  H       8 LYS  HA      2.71            #peak 15 #SUP 0.98 #QF 0.98
 13 THR  HA     14 TYR  H       2.66            #peak 16 #SUP 0.73 #QF 0.73
  7 TYR  HA      8 LYS  H       2.69            #peak 17 #SUP 0.83 #QF 0.83
  2 CYSS HA     14 TYR  H       4.85            #peak 18 #SUP 0.76 #QF 0.76
  7 TYR  QE      8 LYS  H       4.82            #peak 19 #SUP 0.62 #QF 0.48
  8 LYS  H      10 ARG  H       4.86            #peak 22 #SUP 0.93 #QF 0.93
  8 LYS  H       9 GLN  H       3.63            #peak 23 #SUP 1.00
 13 THR  H      14 TYR  H       4.63            #peak 25 #SUP 0.98 #QF 0.98
  3 ARG  H      14 TYR  H       3.46            #peak 26 #SUP 0.89 #QF 0.89
 14 TYR  H      15 CYSS H       4.54            #peak 27 #SUP 0.85 #QF 0.85
  5 LEU  HG     14 TYR  H       4.18            #peak 29 #SUP 0.59 #QF 0.59
  4 ARG  QG     14 TYR  H       4.36            #peak 30 #SUP 0.82 #QF 0.82
  3 ARG  HB2    14 TYR  H       5.50            #peak 31 #SUP 0.53 #QF 0.53
  5 LEU  H       5 LEU  QD1     4.42            #peak 33 #SUP 0.81 #QF 0.52
  5 LEU  H       5 LEU  QD2     4.62            #peak 33 #SUP 0.81 #QF 0.52
  5 LEU  H      12 VAL  QG1     5.50            #peak 34 #SUP 0.95 #QF 0.95
  4 ARG  QG      5 LEU  H       3.48            #peak 35 #SUP 0.98 #QF 0.98
  5 LEU  H       5 LEU  HG      3.80            #peak 36 #SUP 0.86 #QF 0.86
  5 LEU  H       5 LEU  QB      2.99            #peak 37 #SUP 0.97 #QF 0.97
  5 LEU  H      12 VAL  HB      4.76            #peak 39 #SUP 0.99 #QF 0.99
 12 VAL  HB     14 TYR  H       5.50            #peak 40 #SUP 0.99 #QF 0.99
  5 LEU  H      11 CYSS HB3     5.50            #peak 41 #SUP 0.99 #QF 0.99
  4 ARG  QD      5 LEU  H       4.72            #peak 42 #SUP 0.70 #QF 0.70
  4 ARG  HA      5 LEU  H       3.05            #peak 44 #SUP 0.86 #QF 0.86
  5 LEU  H       6 CYSS HA      5.16            #peak 45 #SUP 1.00
  5 LEU  H      11 CYSS HA      4.80            #peak 46 #SUP 0.96 #QF 0.96
  5 LEU  H      14 TYR  QE      4.83            #peak 47 #SUP 0.98 #QF 0.98
  4 ARG  H       5 LEU  H       4.64            #peak 48 #SUP 0.77 #QF 0.77
  5 LEU  H      12 VAL  H       3.44            #peak 49 #SUP 0.99 #QF 0.99
  5 LEU  H      13 THR  H       5.05            #peak 50 #SUP 1.00
  5 LEU  H      14 TYR  QD      4.38            #peak 51 #SUP 0.99 #QF 0.99
  3 ARG  H      13 THR  QG2     4.21            #peak 52 #SUP 0.99 #QF 0.99
  4 ARG  QG      6 CYSS H       4.84            #peak 53 #SUP 0.63 #QF 0.63
  5 LEU  QB      6 CYSS H       3.57            #peak 54 #SUP 0.99 #QF 0.99
  3 ARG  H       3 ARG  HG2     3.72            #peak 55 #SUP 0.99 #QF 0.99
  3 ARG  H       3 ARG  HG3     3.72            #peak 56 #SUP 0.98 #QF 0.98
  3 ARG  H       3 ARG  HB3     3.32            #peak 57 #SUP 0.96 #QF 0.96
  2 CYSS HB3     3 ARG  H       3.28            #peak 58 #SUP 0.97 #QF 0.97
  3 ARG  H       3 ARG  QD      4.34            #peak 62 #SUP 1.00
  5 LEU  HA      6 CYSS H       2.56            #peak 63 #SUP 0.73 #QF 0.73
  3 ARG  H      15 CYSS HA      3.56            #peak 65 #SUP 0.34 #QF 0.34
  2 CYSS HA      3 ARG  H       2.73            #peak 69 #SUP 0.67 #QF 0.67
  3 ARG  H       3 ARG  HE      5.18            #peak 71 #SUP 0.66 #QF 0.66
  3 ARG  H      14 TYR  QD      5.50            #peak 72 #SUP 0.97 #QF 0.97
 14 TYR  QD     15 CYSS H       3.88            #peak 73 #SUP 0.99 #QF 0.99
 14 TYR  QE     15 CYSS H       5.50            #peak 74 #SUP 0.89 #QF 0.89
 15 CYSS H      16 ARG  H       4.43            #peak 76 #SUP 0.99 #QF 0.99
  3 ARG  H       4 ARG  H       4.57            #peak 79 #SUP 0.99 #QF 0.99
  6 CYSS H       7 TYR  H       4.54            #peak 80 #SUP 0.68 #QF 0.68
 11 CYSS H      11 CYSS HB2     3.11            #peak 82 #SUP 0.67 #QF 0.67
 15 CYSS H      15 CYSS QB      2.81            #peak 83 #SUP 0.95 #QF 0.95
 10 ARG  QD     11 CYSS H       4.96            #peak 84 #SUP 0.96 #QF 0.96
 11 CYSS HA     12 VAL  H       2.67            #peak 86 #SUP 0.84 #QF 0.84
  6 CYSS HA     12 VAL  H       3.34            #peak 87 #SUP 0.69 #QF 0.69
 12 VAL  H      14 TYR  QE      5.09            #peak 89 #SUP 1.00
 12 VAL  H      13 THR  H       4.56            #peak 90 #SUP 0.99 #QF 0.99
  7 TYR  H      12 VAL  H       5.11            #peak 91 #SUP 0.99 #QF 0.99
 11 CYSS H      11 CYSS HB3     3.95            #peak 93 #SUP 0.95 #QF 0.95
 11 CYSS HB3    12 VAL  H       3.43            #peak 94 #SUP 0.97 #QF 0.97
 10 ARG  HG2    11 CYSS H       4.52            #peak 95 #SUP 0.99 #QF 0.99
 10 ARG  HG3    11 CYSS H       5.22            #peak 96 #SUP 1.00
 10 ARG  HB2    11 CYSS H       3.80            #peak 97 #SUP 0.97 #QF 0.97
 10 ARG  HB3    11 CYSS H       3.79            #peak 98 #SUP 0.98 #QF 0.98
 13 THR  QG2    15 CYSS H       4.63            #peak 99 #SUP 0.95 #QF 0.95
 12 VAL  H      12 VAL  QG2     3.36            #peak 100 #SUP 0.99 #QF 0.99
 12 VAL  H      12 VAL  QG1     3.83            #peak 101 #SUP 1.00
 11 CYSS H      12 VAL  QG1     4.78            #peak 102 #SUP 0.95 #QF 0.95
 11 CYSS H      12 VAL  QG2     4.70            #peak 103 #SUP 0.98 #QF 0.98
  4 ARG  QG     12 VAL  H       4.26            #peak 104 #SUP 0.96 #QF 0.96
  5 LEU  QB     12 VAL  H       4.24            #peak 105 #SUP 0.97 #QF 0.97
  1 PCA  HA      2 CYSS H       2.66            #peak 107 #SUP 0.99 #QF 0.99
  2 CYSS H      15 CYSS HA      5.05            #peak 108 #SUP 0.35 #QF 0.35
  2 CYSS H       2 CYSS HB2     3.00            #peak 111 #SUP 0.90 #QF 0.90
  2 CYSS H      15 CYSS QB      5.38            #peak 112 #SUP 0.97 #QF 0.97
  2 CYSS H      13 THR  QG2     5.50            #peak 116 #SUP 1.00
  3 ARG  QD      4 ARG  H       4.99            #peak 117 #SUP 1.00
  4 ARG  H       4 ARG  QD      4.85            #peak 118 #SUP 1.00
  4 ARG  H      13 THR  QG2     4.81            #peak 119 #SUP 0.99 #QF 0.99
  4 ARG  H       5 LEU  QD2     4.81            #peak 120 #SUP 0.60 #QF 0.60
  4 ARG  H       4 ARG  QG      4.03            #peak 122 #SUP 1.00
  4 ARG  H       4 ARG  HB2     3.09            #peak 123 #SUP 0.93 #QF 0.93
  4 ARG  H       4 ARG  HB3     2.96            #peak 124 #SUP 0.93 #QF 0.93
  3 ARG  HB2     4 ARG  H       3.13            #peak 125 #SUP 0.86 #QF 0.86
  7 TYR  H      10 ARG  HG3     5.39            #peak 126 #SUP 0.89 #QF 0.89
  5 LEU  QB      7 TYR  H       5.50            #peak 127 #SUP 0.95 #QF 0.90
  7 TYR  H      10 ARG  HG2     5.50            #peak 127 #SUP 0.95 #QF 0.90
  7 TYR  H       8 LYS  HB2     4.99            #peak 128 #SUP 0.75 #QF 0.75
  7 TYR  H      10 ARG  HB3     4.32            #peak 129 #SUP 0.98 #QF 0.98
  7 TYR  H      10 ARG  HB2     4.33            #peak 130 #SUP 0.99 #QF 0.99
  3 ARG  HA      4 ARG  H       2.51            #peak 134 #SUP 0.68 #QF 0.68
  4 ARG  H      13 THR  HA      4.83            #peak 136 #SUP 0.75 #QF 0.75
  7 TYR  H      11 CYSS HA      3.76            #peak 139 #SUP 0.91 #QF 0.91
  6 CYSS HA      7 TYR  H       2.64            #peak 140 #SUP 0.82 #QF 0.82
  7 TYR  H      10 ARG  H       3.37            #peak 141 #SUP 1.00
  4 ARG  H       4 ARG  HE      5.50            #peak 143 #SUP 0.87 #QF 0.87
  7 TYR  H       9 GLN  H       4.89            #peak 144 #SUP 0.94 #QF 0.94
 16 ARG  H      17 GLY  H       3.95            #peak 145 #SUP 1.00
 17 GLY  H      18 ARG  H       3.88            #peak 146 #SUP 0.83 #QF 0.83
  7 TYR  H       8 LYS  H       4.24            #peak 147 #SUP 0.97 #QF 0.97
 13 THR  H      13 THR  QG2     3.93            #peak 150 #SUP 1.00
 12 VAL  QG2    13 THR  H       4.14            #peak 151 #SUP 0.99 #QF 0.99
 12 VAL  QG1    13 THR  H       3.43            #peak 152 #SUP 0.99 #QF 0.99
  4 ARG  QG     13 THR  H       4.93            #peak 153 #SUP 0.96 #QF 0.96
 16 ARG  HG3    17 GLY  H       3.74            #peak 154 #SUP 0.98 #QF 0.98
 16 ARG  HG2    17 GLY  H       3.73            #peak 155 #SUP 0.90 #QF 0.90
 12 VAL  HB     13 THR  H       3.22            #peak 157 #SUP 1.00
 15 CYSS QB     17 GLY  H       4.23            #peak 158 #SUP 0.96 #QF 0.96
 16 ARG  QD     17 GLY  H       4.66            #peak 159 #SUP 0.77 #QF 0.77
 17 GLY  H      17 GLY  QA      2.63            #peak 160 #SUP 0.96 #QF 0.96
 12 VAL  HA     13 THR  H       2.52            #peak 162 #SUP 0.83 #QF 0.83
  4 ARG  HA     13 THR  H       4.81            #peak 164 #SUP 0.99 #QF 0.99
  8 LYS  HG2     9 GLN  H       5.50            #peak 168 #SUP 1.00
  8 LYS  HG3     9 GLN  H       5.50            #peak 169 #SUP 1.00
  9 GLN  H      10 ARG  HG3     5.18            #peak 171 #SUP 0.82 #QF 0.82
  9 GLN  H      10 ARG  HB2     5.29            #peak 174 #SUP 0.98 #QF 0.98
  9 GLN  H       9 GLN  HA      2.90            #peak 175 #SUP 0.97 #QF 0.97
  8 LYS  HA      9 GLN  H       3.27            #peak 176 #SUP 0.98 #QF 0.98
 18 ARG  H      18 ARG  HB2     3.88            #peak 179 #SUP 0.98 #QF 0.98
 18 ARG  H      18 ARG  HB3     3.88            #peak 180 #SUP 0.92 #QF 0.92
 15 CYSS QB     18 ARG  H       4.86            #peak 183 #SUP 0.66 #QF 0.66
 17 GLY  QA     18 ARG  H       2.90            #peak 184 #SUP 0.99 #QF 0.99
 16 ARG  H      16 ARG  HG2     3.29            #peak 188 #SUP 0.79 #QF 0.79
 16 ARG  H      16 ARG  HG3     3.48            #peak 190 #SUP 0.99 #QF 0.99
  1 PCA  H      16 ARG  HG2     3.97            #peak 191 #SUP 0.64 #QF 0.64
  1 PCA  H      16 ARG  HG3     4.72            #peak 193 #SUP 0.96 #QF 0.96
  2 CYSS HB3    16 ARG  H       5.50            #peak 197 #SUP 0.98 #QF 0.98
 15 CYSS QB     16 ARG  H       3.24            #peak 198 #SUP 0.99 #QF 0.99
 16 ARG  H      16 ARG  QD      4.74            #peak 199 #SUP 1.00
  1 PCA  H      16 ARG  QD      5.15            #peak 200 #SUP 0.95 #QF 0.95
  1 PCA  H      15 CYSS QB      5.50            #peak 201 #SUP 0.66 #QF 0.66
 16 ARG  H      17 GLY  QA      5.03            #peak 203 #SUP 0.98 #QF 0.98
 15 CYSS HA     16 ARG  H       2.73            #peak 207 #SUP 0.61 #QF 0.61
  2 CYSS HA     16 ARG  H       3.48            #peak 209 #SUP 0.68 #QF 0.68
  1 PCA  H       2 CYSS HA      5.15            #peak 210 #SUP 0.89 #QF 0.89
 16 ARG  H      16 ARG  HE      5.17            #peak 211 #SUP 0.98 #QF 0.98
  1 PCA  H       2 CYSS H       3.96            #peak 214 #SUP 0.96 #QF 0.96
  3 ARG  H      16 ARG  H       4.92            #peak 216 #SUP 0.85 #QF 0.85
 10 ARG  H      11 CYSS HA      5.23            #peak 217 #SUP 0.92 #QF 0.92
  6 CYSS HA     10 ARG  H       4.63            #peak 218 #SUP 0.98 #QF 0.98
  8 LYS  HA     10 ARG  H       4.48            #peak 221 #SUP 0.98 #QF 0.98
 10 ARG  H      10 ARG  QD      5.02            #peak 222 #SUP 0.96 #QF 0.96
  6 CYSS HB3    10 ARG  H       4.20            #peak 223 #SUP 0.69 #QF 0.69
  6 CYSS HB2    10 ARG  H       5.50            #peak 224 #SUP 0.99 #QF 0.99
 10 ARG  H      10 ARG  HB2     3.29            #peak 226 #SUP 0.99 #QF 0.99
 10 ARG  H      10 ARG  HB3     3.86            #peak 227 #SUP 1.00
 10 ARG  H      10 ARG  HG3     4.03            #peak 229 #SUP 0.99 #QF 0.99
  7 TYR  QD     10 ARG  H       5.50            #peak 231 #SUP 0.94 #QF 0.94
 10 ARG  H      11 CYSS H       4.49            #peak 233 #SUP 1.00
  9 GLN  H      10 ARG  H       3.07            #peak 235 #SUP 0.99 #QF 0.99
 18 ARG  H      19 CAM  H2      4.82            #peak 236 #SUP 0.88 #QF 0.88
  4 ARG  QG      4 ARG  HE      3.33            #peak 248 #SUP 0.99 #QF 0.99
 10 ARG  HB2    10 ARG  HE      4.45            #peak 249 #SUP 0.98 #QF 0.98
 10 ARG  HB3    10 ARG  HE      4.36            #peak 250 #SUP 0.96 #QF 0.96
 10 ARG  HG2    10 ARG  HE      4.09            #peak 251 #SUP 1.00
  3 ARG  HE      5 LEU  QD1     5.16            #peak 253 #SUP 0.75 #QF 0.28
  3 ARG  HE      5 LEU  QD2     5.39            #peak 253 #SUP 0.75 #QF 0.28
  4 ARG  HE     11 CYSS HB3     4.74            #peak 254 #SUP 0.99 #QF 0.99
  4 ARG  QD      4 ARG  HE      2.85            #peak 257 #SUP 0.96 #QF 0.96
  7 TYR  QD     10 ARG  HB2     5.50            #peak 263 #SUP 0.96 #QF 0.96
  4 ARG  HE     13 THR  QG2     5.01            #peak 265 #SUP 0.77 #QF 0.77
 13 THR  QG2    14 TYR  QD      4.76            #peak 266 #SUP 0.97 #QF 0.97
  5 LEU  QD1    14 TYR  QD      3.46            #peak 267 #SUP 0.98 #QF 0.98
  5 LEU  QB     14 TYR  QD      3.51            #peak 270 #SUP 0.98 #QF 0.98
  5 LEU  HG     14 TYR  QD      3.90            #peak 271 #SUP 0.69 #QF 0.69
 12 VAL  HB     14 TYR  QD      4.51            #peak 272 #SUP 0.98 #QF 0.98
 14 TYR  QD     18 ARG  QD      4.39            #peak 273 #SUP 0.45 #QF 0.45
 13 THR  HB     14 TYR  QD      5.40            #peak 276 #SUP 0.98 #QF 0.98
 14 TYR  HA     14 TYR  QD      3.17            #peak 278 #SUP 0.82 #QF 0.82
  7 TYR  HA      7 TYR  QD      3.01            #peak 279 #SUP 0.88 #QF 0.88
  7 TYR  QD      8 LYS  H       3.65            #peak 284 #SUP 0.98 #QF 0.98
  7 TYR  H       7 TYR  QD      4.55            #peak 285 #SUP 0.99 #QF 0.99
 14 TYR  H      14 TYR  QD      3.51            #peak 286 #SUP 0.96 #QF 0.96
 12 VAL  HA     14 TYR  QE      5.49            #peak 292 #SUP 0.88 #QF 0.88
  7 TYR  HA      7 TYR  QE      4.53            #peak 295 #SUP 0.98 #QF 0.98
 14 TYR  HA     14 TYR  QE      4.58            #peak 297 #SUP 0.89 #QF 0.89
  7 TYR  QD      8 LYS  HA      4.82            #peak 298 #SUP 0.98 #QF 0.98
 14 TYR  QE     18 ARG  QD      4.57            #peak 299 #SUP 0.53 #QF 0.53
  7 TYR  QE      8 LYS  HE2     5.29            #peak 303 #SUP 0.88 #QF 0.42
  7 TYR  QE      8 LYS  HE3     5.29            #peak 303 #SUP 0.88 #QF 0.42
  5 LEU  QD1    14 TYR  QE      3.71            #peak 304 #SUP 0.91 #QF 0.91
 12 VAL  QG1    14 TYR  QE      3.90            #peak 305 #SUP 0.96 #QF 0.96
  5 LEU  QB     14 TYR  QE      3.81            #peak 309 #SUP 0.94 #QF 0.94
 12 VAL  HB     14 TYR  QE      3.67            #peak 311 #SUP 0.96 #QF 0.96
  7 TYR  QE      8 LYS  HB2     5.38            #peak 313 #SUP 0.89 #QF 0.89
  5 LEU  HG     14 TYR  QE      5.06            #peak 314 #SUP 0.85 #QF 0.85
 13 THR  H      14 TYR  QE      5.18            #peak 317 #SUP 0.77 #QF 0.77
 16 ARG  HA     16 ARG  HG2     4.11            #peak 331 #SUP 0.91 #QF 0.91
 16 ARG  HA     16 ARG  HG3     3.96            #peak 333 #SUP 0.96 #QF 0.96
 16 ARG  HG3    17 GLY  QA      4.18            #peak 336 #SUP 0.50 #QF 0.50
 12 VAL  HB     13 THR  HB      5.24            #peak 337 #SUP 0.92 #QF 0.92
 16 ARG  HG2    17 GLY  QA      5.06            #peak 338 #SUP 0.96 #QF 0.96
  4 ARG  HA     13 THR  HB      5.36            #peak 340 #SUP 0.95 #QF 0.95
 13 THR  H      13 THR  HB      3.06            #peak 353 #SUP 0.95 #QF 0.95
  7 TYR  HA      8 LYS  HA      4.39            #peak 359 #SUP 0.97 #QF 0.97
  8 LYS  HA      8 LYS  HG2     3.88            #peak 363 #SUP 0.99 #QF 0.99
  8 LYS  HA      8 LYS  HG3     3.88            #peak 364 #SUP 0.97 #QF 0.97
 12 VAL  QG1    13 THR  HB      5.44            #peak 365 #SUP 0.99 #QF 0.99
 10 ARG  HA     10 ARG  QD      4.09            #peak 366 #SUP 0.66 #QF 0.66
 10 ARG  QD     12 VAL  QG1     4.92            #peak 378 #SUP 0.74 #QF 0.74
  2 CYSS HB2    13 THR  QG2     3.46            #peak 379 #SUP 0.99 #QF 0.99
  4 ARG  HB3     4 ARG  QD      3.31            #peak 380 #SUP 1.00
  4 ARG  HB2     4 ARG  QD      3.23            #peak 381 #SUP 0.97 #QF 0.97
  4 ARG  QG      4 ARG  QD      2.82            #peak 382 #SUP 1.00
 13 THR  QG2    14 TYR  HB2     5.20            #peak 383 #SUP 0.98 #QF 0.98
  5 LEU  QD1    14 TYR  HB2     3.84            #peak 385 #SUP 0.95 #QF 0.95
  5 LEU  QD1    14 TYR  HB3     3.84            #peak 386 #SUP 0.99 #QF 0.98
  7 TYR  QB      8 LYS  HG3     4.48            #peak 389 #SUP 0.65 #QF 0.65
  7 TYR  QB      8 LYS  HG2     4.48            #peak 390 #SUP 0.73 #QF 0.73
  7 TYR  QB      8 LYS  HA      5.50            #peak 393 #SUP 0.99 #QF 0.99
  7 TYR  HA      7 TYR  QB      2.89            #peak 394 #SUP 0.98 #QF 0.98
  4 ARG  HA      4 ARG  QD      4.47            #peak 395 #SUP 0.98 #QF 0.98
  4 ARG  QD     13 THR  HA      4.71            #peak 396 #SUP 0.86 #QF 0.86
  6 CYSS HB3    11 CYSS HA      4.17            #peak 400 #SUP 1.00 #QF 0.68
  2 CYSS HA     15 CYSS QB      3.87            #peak 402 #SUP 0.84 #QF 0.84
  6 CYSS HB3     9 GLN  H       5.38            #peak 411 #SUP 0.55 #QF 0.55
  6 CYSS H       6 CYSS HB3     3.81            #peak 414 #SUP 0.68 #QF 0.68
  7 TYR  QB      8 LYS  H       4.08            #peak 415 #SUP 0.99 #QF 0.87
  2 CYSS HB2     3 ARG  H       4.33            #peak 419 #SUP 0.58 #QF 0.58
  6 CYSS H       6 CYSS HB2     3.51            #peak 421 #SUP 0.86 #QF 0.86
  2 CYSS H       2 CYSS HB3     3.91            #peak 423 #SUP 0.64 #QF 0.64
  6 CYSS HB2     7 TYR  H       4.18            #peak 424 #SUP 0.91 #QF 0.91
  9 GLN  H       9 GLN  QG      3.07            #peak 428 #SUP 0.99 #QF 0.99
  9 GLN  HB2    10 ARG  H       4.11            #peak 430 #SUP 0.97 #QF 0.97
  9 GLN  H       9 GLN  HB3     3.99            #peak 431 #SUP 0.97 #QF 0.97
  6 CYSS HA     11 CYSS HB3     4.54            #peak 433 #SUP 0.85 #QF 0.85
  6 CYSS HB2    11 CYSS HA      4.39            #peak 434 #SUP 0.81 #QF 0.81
  2 CYSS HB3    13 THR  HA      5.10            #peak 437 #SUP 0.93 #QF 0.93
  5 LEU  HA      6 CYSS HB2     4.79            #peak 438 #SUP 0.78 #QF 0.78
  2 CYSS HB3     3 ARG  HA      5.08            #peak 439 #SUP 0.98 #QF 0.98
  6 CYSS HB2     7 TYR  HA      4.85            #peak 440 #SUP 0.68 #QF 0.68
 10 ARG  HA     11 CYSS HB3     5.50            #peak 442 #SUP 0.89 #QF 0.89
 11 CYSS HB3    12 VAL  HA      5.01            #peak 443 #SUP 0.72 #QF 0.72
  4 ARG  QG     11 CYSS HB3     3.58            #peak 445 #SUP 0.97 #QF 0.97
  9 GLN  HB2    10 ARG  HA      4.72            #peak 452 #SUP 0.74 #QF 0.74
  9 GLN  HA      9 GLN  QG      3.52            #peak 453 #SUP 0.99 #QF 0.96
  8 LYS  HA      9 GLN  QG      4.30            #peak 454 #SUP 1.00
 10 ARG  HB2    10 ARG  QD      3.83            #peak 455 #SUP 0.93 #QF 0.93
  4 ARG  HB3    11 CYSS HB3     5.00            #peak 458 #SUP 0.94 #QF 0.94
  4 ARG  HB2    11 CYSS HB3     5.50            #peak 459 #SUP 0.85 #QF 0.85
  8 LYS  HB2     9 GLN  HB2     5.35            #peak 461 #SUP 0.99 #QF 0.90
  8 LYS  HB2     9 GLN  QG      5.50            #peak 461 #SUP 0.99 #QF 0.90
  8 LYS  HB2    10 ARG  H       4.26            #peak 474 #SUP 0.99 #QF 0.99
 10 ARG  H      10 ARG  HG2     4.62            #peak 475 #SUP 0.99 #QF 0.99
 12 VAL  H      12 VAL  HB      3.77            #peak 482 #SUP 0.99 #QF 0.99
  5 LEU  QD2     6 CYSS H       3.73            #peak 489 #SUP 0.92 #QF 0.92
  5 LEU  H      12 VAL  QG2     4.17            #peak 493 #SUP 0.47 #QF 0.47
  2 CYSS HA     13 THR  QG2     4.45            #peak 497 #SUP 0.93 #QF 0.93
 11 CYSS HA     12 VAL  QG2     4.29            #peak 498 #SUP 0.98 #QF 0.98
 11 CYSS HA     12 VAL  QG1     4.80            #peak 499 #SUP 0.99 #QF 0.99
 12 VAL  QG2    14 TYR  QE      4.22            #peak 500 #SUP 0.85 #QF 0.85
 12 VAL  QG2    14 TYR  QD      4.59            #peak 503 #SUP 0.96 #QF 0.96
 12 VAL  QG1    14 TYR  QD      4.81            #peak 505 #SUP 0.97 #QF 0.97
  4 ARG  HA     13 THR  QG2     4.15            #peak 529 #SUP 0.87 #QF 0.87
 13 THR  HA     13 THR  QG2     3.12            #peak 530 #SUP 0.94 #QF 0.94
 12 VAL  HA     12 VAL  QG2     3.34            #peak 534 #SUP 1.00
  5 LEU  HA      5 LEU  QD2     3.23            #peak 535 #SUP 0.85 #QF 0.85
 12 VAL  HA     12 VAL  QG1     3.29            #peak 537 #SUP 1.00
 12 VAL  QG2    13 THR  HA      4.83            #peak 538 #SUP 0.93 #QF 0.93
 12 VAL  QG1    13 THR  HA      5.46            #peak 539 #SUP 0.87 #QF 0.87
 13 THR  QG2    14 TYR  HB3     5.20            #peak 541 #SUP 0.99 #QF 0.99
 13 THR  QG2    15 CYSS QB      5.22            #peak 541 #SUP 0.99 #QF 0.99
  2 CYSS HB3    13 THR  QG2     3.04            #peak 542 #SUP 0.97 #QF 0.97
  5 LEU  QB      5 LEU  QD1     3.01            #peak 550 #SUP 1.00
  5 LEU  QB      5 LEU  QD2     3.35            #peak 550 #SUP 1.00
  3 ARG  QD      5 LEU  QD2     3.77            #peak 553 #SUP 0.96 #QF 0.73
 10 ARG  QD     12 VAL  QG2     5.35            #peak 554 #SUP 0.93 #QF 0.93
  4 ARG  HB3     4 ARG  QG      2.93            #peak 560 #SUP 0.87 #QF 0.87
  7 TYR  QB     10 ARG  HB2     4.92            #peak 564 #SUP 0.97 #QF 0.97
 10 ARG  HB2    11 CYSS HA      4.90            #peak 565 #SUP 0.38 #QF 0.38
  5 LEU  QB     11 CYSS HA      5.26            #peak 568 #SUP 0.99 #QF 0.99
  4 ARG  QG     11 CYSS HA      5.02            #peak 569 #SUP 0.95 #QF 0.95
  2 CYSS HA      3 ARG  HB3     4.68            #peak 570 #SUP 0.89 #QF 0.89
  2 CYSS HA      3 ARG  HG3     5.34            #peak 571 #SUP 0.70 #QF 0.70
  2 CYSS HA      3 ARG  HG2     5.34            #peak 572 #SUP 0.94 #QF 0.94
  5 LEU  QB      6 CYSS HA      4.95            #peak 573 #SUP 1.00
  4 ARG  HA      4 ARG  QG      3.85            #peak 574 #SUP 0.97 #QF 0.97
  4 ARG  QG     13 THR  HA      4.31            #peak 575 #SUP 0.87 #QF 0.87
  5 LEU  HA      5 LEU  HG      4.00            #peak 577 #SUP 0.95 #QF 0.95
  4 ARG  HB3    13 THR  HA      4.81            #peak 578 #SUP 0.83 #QF 0.83
  3 ARG  HA      4 ARG  QG      5.50            #peak 579 #SUP 0.93 #QF 0.93
  4 ARG  HB2    13 THR  QG2     4.32            #peak 580 #SUP 0.98 #QF 0.98
  4 ARG  QG     13 THR  QG2     4.29            #peak 581 #SUP 0.90 #QF 0.90
  4 ARG  HB3    13 THR  QG2     5.50            #peak 582 #SUP 0.91 #QF 0.27
  1 PCA  Q1      2 CYSS H       3.59            #peak 115
  2 CYSS HA      3 ARG  QG      4.60            #peak 571
  3 ARG  H       3 ARG  QG      3.25            #peak 56
  3 ARG  H      14 TYR  QB      3.95            #peak 60
  3 ARG  QG     13 THR  QG2     5.34            #peak 582
  3 ARG  QG     14 TYR  H       4.29            #peak 28
  5 LEU  QD1    14 TYR  QB      3.34            #peak 385
  7 TYR  QB      8 LYS  QG      3.93            #peak 389
  7 TYR  QD      8 LYS  QG      3.84            #peak 262
  7 TYR  QE      8 LYS  QG      3.99            #peak 306
  7 TYR  QE      8 LYS  QD      4.16            #peak 516
  7 TYR  QE      8 LYS  QE      4.58            #peak 303
  8 LYS  HA      8 LYS  QG      3.23            #peak 363
  8 LYS  HA      8 LYS  QD      4.47            #peak 464
  8 LYS  QG      9 GLN  H       4.69            #peak 168
 13 THR  QG2    14 TYR  QB      4.44            #peak 541
 14 TYR  H      14 TYR  QB      3.07            #peak 13
 14 TYR  QE     18 ARG  QB      5.04            #peak 517
 16 ARG  H      16 ARG  QB      3.12            #peak 189
 16 ARG  QB     17 GLY  H       4.22            #peak 156
 18 ARG  H      18 ARG  QB      3.20            #peak 180
 18 ARG  H      18 ARG  QG      4.00            #peak 181
# Restraints file 2: gms278.aco
   2 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   2 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   2 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   2 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   2 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   2 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   3 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   3 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   3 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   3 ARG   PSI      25.0    55.0 5.00E-01 type=2
   3 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   3 ARG   PSI     105.0   185.0 5.00E-01 type=2
   4 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   4 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   4 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   4 ARG   PSI      25.0    55.0 5.00E-01 type=2
   4 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   4 ARG   PSI     105.0   185.0 5.00E-01 type=2
   5 LEU   PHI    -175.0    75.0 5.00E-01 type=2
   5 LEU   PSI     -75.0   185.0 5.00E-01 type=2
   5 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   5 LEU   PSI      25.0    55.0 5.00E-01 type=2
   5 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
   5 LEU   PSI     105.0   185.0 5.00E-01 type=2
   6 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   6 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   6 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   6 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   6 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   6 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   7 TYR   PHI    -175.0    75.0 5.00E-01 type=2
   7 TYR   PSI     -75.0   185.0 5.00E-01 type=2
   7 TYR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   7 TYR   PSI      25.0    55.0 5.00E-01 type=2
   7 TYR   PHI    -135.0    75.0 5.00E-01 type=2 OR
   7 TYR   PSI     105.0   185.0 5.00E-01 type=2
   8 LYS   PHI    -175.0    75.0 5.00E-01 type=2
   8 LYS   PSI     -75.0   185.0 5.00E-01 type=2
   8 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   8 LYS   PSI      25.0    55.0 5.00E-01 type=2
   8 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   8 LYS   PSI     105.0   185.0 5.00E-01 type=2
   9 GLN   PHI    -175.0    75.0 5.00E-01 type=2
   9 GLN   PSI     -75.0   185.0 5.00E-01 type=2
   9 GLN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   9 GLN   PSI      25.0    55.0 5.00E-01 type=2
   9 GLN   PHI    -135.0    75.0 5.00E-01 type=2 OR
   9 GLN   PSI     105.0   185.0 5.00E-01 type=2
  10 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  10 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  10 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  10 ARG   PSI      25.0    55.0 5.00E-01 type=2
  10 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  10 ARG   PSI     105.0   185.0 5.00E-01 type=2
  11 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  11 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  11 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  11 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  11 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  11 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  12 VAL   PHI    -175.0    75.0 5.00E-01 type=2
  12 VAL   PSI     -75.0   185.0 5.00E-01 type=2
  12 VAL   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  12 VAL   PSI      25.0    55.0 5.00E-01 type=2
  12 VAL   PHI    -135.0    75.0 5.00E-01 type=2 OR
  12 VAL   PSI     105.0   185.0 5.00E-01 type=2
  13 THR   PHI    -175.0    75.0 5.00E-01 type=2
  13 THR   PSI     -75.0   185.0 5.00E-01 type=2
  13 THR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  13 THR   PSI      25.0    55.0 5.00E-01 type=2
  13 THR   PHI    -135.0    75.0 5.00E-01 type=2 OR
  13 THR   PSI     105.0   185.0 5.00E-01 type=2
  14 TYR   PHI    -175.0    75.0 5.00E-01 type=2
  14 TYR   PSI     -75.0   185.0 5.00E-01 type=2
  14 TYR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  14 TYR   PSI      25.0    55.0 5.00E-01 type=2
  14 TYR   PHI    -135.0    75.0 5.00E-01 type=2 OR
  14 TYR   PSI     105.0   185.0 5.00E-01 type=2
  15 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  15 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  15 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  15 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  15 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  15 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  16 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  16 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  16 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  16 ARG   PSI      25.0    55.0 5.00E-01 type=2
  16 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  16 ARG   PSI     105.0   185.0 5.00E-01 type=2
  18 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  18 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  18 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  18 ARG   PSI      25.0    55.0 5.00E-01 type=2
  18 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  18 ARG   PSI     105.0   185.0 5.00E-01 type=2
   2 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   2 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   2 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   3 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   3 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   3 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   3 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   3 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   3 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   3 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   3 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   3 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   5 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
   5 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
   5 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
   5 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
   5 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
   5 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
   6 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   6 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   6 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   7 TYR   CHI1    -90.0   210.0 2.00E-01 type=2
   7 TYR   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 TYR   CHI1   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
   9 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
   9 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
   9 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
   9 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
   9 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
   9 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
  10 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  10 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  10 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  10 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  10 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  10 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  10 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  10 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  10 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  11 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  11 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  11 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  12 VAL   CHI1    -90.0   210.0 2.00E-01 type=2
  12 VAL   CHI1   -330.0   -30.0 2.00E-01 type=2
  12 VAL   CHI1   -210.0    90.0 2.00E-01 type=2
  13 THR   CHI1    -90.0   210.0 2.00E-01 type=2
  13 THR   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 THR   CHI1   -210.0    90.0 2.00E-01 type=2
  14 TYR   CHI1    -90.0   210.0 2.00E-01 type=2
  14 TYR   CHI1   -330.0   -30.0 2.00E-01 type=2
  14 TYR   CHI1   -210.0    90.0 2.00E-01 type=2
  15 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  15 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  15 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  18 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  18 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  18 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  18 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  18 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  18 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  18 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  18 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  18 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
# Restraints file 3: D_1000237785_mr_P3.cyana.V1
  6 CYSS SG     11 CYSS SG     2.10   2.0 
  6 CYSS SG     11 CYSS CB     3.10   2.0 
  6 CYSS CB     11 CYSS SG     3.10   2.0 
 15 CYSS SG      2 CYSS SG     2.10   2.0 
 15 CYSS SG      2 CYSS CB     3.10   2.0 
 15 CYSS CB      2 CYSS SG     3.10   2.0 
# Restraints file 4: D_1000237785_mr_P2.cyana.V1
  6 CYSS SG     11 CYSS SG      2.00   2.0 
  6 CYSS SG     11 CYSS CB      3.00   2.0 
  6 CYSS CB     11 CYSS SG      3.00   2.0 
 15 CYSS SG      2 CYSS SG      2.00   2.0 
 15 CYSS SG      2 CYSS CB      3.00   2.0 
 15 CYSS CB      2 CYSS SG      3.00   2.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PCA   1           H        PCA   1   1.644  -0.009  -0.510
    2    HA   PCA   1           HA       PCA   1   0.716   2.037  -0.476
    3    HB2  PCA   1           HB2      PCA   1  -1.837   1.784   0.606
    4    HB3  PCA   1           HB3      PCA   1  -1.504   1.286  -1.061
    5    HG2  PCA   1           HG2      PCA   1  -1.487  -0.460   1.459
    6    HG3  PCA   1           HG3      PCA   1  -2.223  -0.819  -0.119
    7    H    CYS   2           H        CYS   2   0.894   3.556   0.949
    8    HA   CYS   2           HA       CYS   2   1.357   2.778   3.749
    9    HB2  CYS   2           HB2      CYS   2   2.473   5.108   2.175
   10    HB3  CYS   2           HB3      CYS   2   2.792   4.797   3.879
   11    H    ARG   3           H        ARG   3   0.240   3.728   5.357
   12    HA   ARG   3           HA       ARG   3  -1.572   5.938   4.635
   13    HB2  ARG   3           HB2      ARG   3  -3.103   4.988   6.416
   14    HB3  ARG   3           HB3      ARG   3  -2.959   4.041   4.942
   15    HG2  ARG   3           HG2      ARG   3  -1.587   2.433   5.991
   16    HG3  ARG   3           HG3      ARG   3  -1.336   3.464   7.401
   17    HD2  ARG   3           HD2      ARG   3  -3.519   3.126   8.177
   18    HD3  ARG   3           HD3      ARG   3  -4.074   2.525   6.616
   19    HE   ARG   3           HE       ARG   3  -2.177   0.728   7.407
   20   HH11  ARG   3          HH11      ARG   3  -5.115   1.983   8.791
   21   HH12  ARG   3          HH12      ARG   3  -5.473   0.535   9.672
   22   HH21  ARG   3          HH21      ARG   3  -2.637  -1.184   8.562
   23   HH22  ARG   3          HH22      ARG   3  -4.062  -1.266   9.542
   24    H    ARG   4           H        ARG   4  -1.890   7.564   6.153
   25    HA   ARG   4           HA       ARG   4   0.229   7.777   8.147
   26    HB2  ARG   4           HB2      ARG   4  -0.542   9.594   6.387
   27    HB3  ARG   4           HB3      ARG   4  -1.729   9.971   7.629
   28    HG2  ARG   4           HG2      ARG   4   0.201  10.187   9.238
   29    HG3  ARG   4           HG3      ARG   4   1.264  10.105   7.832
   30    HD2  ARG   4           HD2      ARG   4  -0.976  12.098   8.089
   31    HD3  ARG   4           HD3      ARG   4   0.666  12.423   8.640
   32    HE   ARG   4           HE       ARG   4   1.050  11.666   6.088
   33   HH11  ARG   4          HH11      ARG   4  -1.105  13.971   7.558
   34   HH12  ARG   4          HH12      ARG   4  -1.136  15.018   6.178
   35   HH21  ARG   4          HH21      ARG   4   1.017  13.036   4.265
   36   HH22  ARG   4          HH22      ARG   4   0.070  14.485   4.305
   37    H    LEU   5           H        LEU   5  -0.101   7.615  10.275
   38    HA   LEU   5           HA       LEU   5  -2.883   7.445  11.224
   39    HB2  LEU   5           HB2      LEU   5  -0.426   6.251  12.493
   40    HB3  LEU   5           HB3      LEU   5  -2.098   6.009  12.994
   41    HG   LEU   5           HG       LEU   5  -0.815   5.002  10.456
   42   HD11  LEU   5          HD11      LEU   5  -0.740   2.927  11.407
   43   HD12  LEU   5          HD12      LEU   5  -2.059   3.268  12.527
   44   HD13  LEU   5          HD13      LEU   5  -0.452   3.926  12.831
   45   HD21  LEU   5          HD21      LEU   5  -3.336   3.820  10.935
   46   HD22  LEU   5          HD22      LEU   5  -2.847   4.843   9.584
   47   HD23  LEU   5          HD23      LEU   5  -3.548   5.568  11.031
   48    H    CYS   6           H        CYS   6  -3.472   9.284  12.167
   49    HA   CYS   6           HA       CYS   6  -1.490  10.826  13.679
   50    HB2  CYS   6           HB2      CYS   6  -4.271  11.578  12.750
   51    HB3  CYS   6           HB3      CYS   6  -3.163  12.646  13.607
   52    H    TYR   7           H        TYR   7  -1.523  10.944  15.832
   53    HA   TYR   7           HA       TYR   7  -3.952  10.494  17.333
   54    HB2  TYR   7           HB2      TYR   7  -3.187   8.199  16.995
   55    HB3  TYR   7           HB3      TYR   7  -1.595   8.618  17.619
   56    HD1  TYR   7           HD1      TYR   7  -1.420   7.250  19.516
   57    HD2  TYR   7           HD2      TYR   7  -4.904   9.632  18.973
   58    HE1  TYR   7           HE1      TYR   7  -2.159   6.677  21.791
   59    HE2  TYR   7           HE2      TYR   7  -5.651   9.067  21.248
   60    HH   TYR   7           HH       TYR   7  -4.417   6.565  23.019
   61    H    LYS   8           H        LYS   8  -3.959  11.688  19.135
   62    HA   LYS   8           HA       LYS   8  -3.278  13.060  20.817
   63    HB2  LYS   8           HB2      LYS   8  -0.520  11.883  20.505
   64    HB3  LYS   8           HB3      LYS   8  -1.229  12.605  21.944
   65    HG2  LYS   8           HG2      LYS   8  -2.972  10.586  21.466
   66    HG3  LYS   8           HG3      LYS   8  -1.462   9.882  20.884
   67    HD2  LYS   8           HD2      LYS   8  -1.417   9.287  23.111
   68    HD3  LYS   8           HD3      LYS   8  -0.504  10.797  23.136
   69    HE2  LYS   8           HE2      LYS   8  -2.214  11.970  24.137
   70    HE3  LYS   8           HE3      LYS   8  -3.459  10.878  23.532
   71    HZ1  LYS   8           HZ1      LYS   8  -2.945   9.291  25.152
   72    HZ2  LYS   8           HZ2      LYS   8  -2.926  10.761  25.988
   73    HZ3  LYS   8           HZ3      LYS   8  -1.471  10.019  25.548
   74    H    GLN   9           H        GLN   9  -3.529  14.427  18.645
   75    HA   GLN   9           HA       GLN   9  -2.846  16.201  17.386
   76    HB2  GLN   9           HB2      GLN   9  -0.966  16.824  19.654
   77    HB3  GLN   9           HB3      GLN   9  -1.785  17.949  18.579
   78    HG2  GLN   9           HG2      GLN   9  -3.949  17.190  19.587
   79    HG3  GLN   9           HG3      GLN   9  -3.000  16.298  20.775
   80   HE21  GLN   9          HE21      GLN   9  -3.250  17.366  22.615
   81   HE22  GLN   9          HE22      GLN   9  -2.984  19.058  22.840
   82    H    ARG  10           H        ARG  10  -1.425  13.745  16.933
   83    HA   ARG  10           HA       ARG  10   1.057  14.870  15.839
   84    HB2  ARG  10           HB2      ARG  10   0.842  12.176  17.196
   85    HB3  ARG  10           HB3      ARG  10   2.277  12.826  16.415
   86    HG2  ARG  10           HG2      ARG  10   1.398  14.727  18.321
   87    HG3  ARG  10           HG3      ARG  10   1.415  13.143  19.097
   88    HD2  ARG  10           HD2      ARG  10   3.749  12.924  17.954
   89    HD3  ARG  10           HD3      ARG  10   3.663  14.683  17.870
   90    HE   ARG  10           HE       ARG  10   3.075  14.126  20.463
   91   HH11  ARG  10          HH11      ARG  10   5.700  13.293  18.334
   92   HH12  ARG  10          HH12      ARG  10   6.875  13.206  19.604
   93   HH21  ARG  10          HH21      ARG  10   4.613  14.015  22.144
   94   HH22  ARG  10          HH22      ARG  10   6.256  13.616  21.771
   95    H    CYS  11           H        CYS  11   1.943  13.602  14.043
   96    HA   CYS  11           HA       CYS  11   0.082  11.763  12.752
   97    HB2  CYS  11           HB2      CYS  11   0.945  14.414  11.614
   98    HB3  CYS  11           HB3      CYS  11   0.453  13.083  10.571
   99    H    VAL  12           H        VAL  12   1.120  10.128  11.800
  100    HA   VAL  12           HA       VAL  12   3.892  10.500  10.922
  101    HB   VAL  12           HB       VAL  12   4.351   8.156  11.885
  102   HG11  VAL  12          HG11      VAL  12   4.025  10.498  13.759
  103   HG12  VAL  12          HG12      VAL  12   5.061   9.095  14.023
  104   HG13  VAL  12          HG13      VAL  12   5.404  10.209  12.699
  105   HG21  VAL  12          HG21      VAL  12   2.029   7.632  12.461
  106   HG22  VAL  12          HG22      VAL  12   3.076   7.568  13.878
  107   HG23  VAL  12          HG23      VAL  12   2.020   8.957  13.625
  108    H    THR  13           H        THR  13   4.598   9.013   9.335
  109    HA   THR  13           HA       THR  13   2.408   7.913   7.755
  110    HB   THR  13           HB       THR  13   5.340   8.235   7.083
  111    HG1  THR  13           HG1      THR  13   3.040   9.799   6.688
  112   HG21  THR  13          HG21      THR  13   4.667   7.721   4.781
  113   HG22  THR  13          HG22      THR  13   3.020   7.412   5.331
  114   HG23  THR  13          HG23      THR  13   4.338   6.367   5.862
  115    H    TYR  14           H        TYR  14   2.022   5.796   7.489
  116    HA   TYR  14           HA       TYR  14   3.988   3.890   8.580
  117    HB2  TYR  14           HB2      TYR  14   1.064   4.136   9.027
  118    HB3  TYR  14           HB3      TYR  14   1.699   2.504   8.844
  119    HD1  TYR  14           HD1      TYR  14   2.568   5.655  10.668
  120    HD2  TYR  14           HD2      TYR  14   2.307   1.410  10.775
  121    HE1  TYR  14           HE1      TYR  14   3.283   5.676  13.021
  122    HE2  TYR  14           HE2      TYR  14   3.020   1.419  13.129
  123    HH   TYR  14           HH       TYR  14   4.002   2.715  14.750
  124    H    CYS  15           H        CYS  15   4.123   1.845   7.559
  125    HA   CYS  15           HA       CYS  15   2.776   1.584   4.970
  126    HB2  CYS  15           HB2      CYS  15   5.761   1.293   5.370
  127    HB3  CYS  15           HB3      CYS  15   4.891   0.944   3.880
  128    H    ARG  16           H        ARG  16   2.324  -0.494   4.362
  129    HA   ARG  16           HA       ARG  16   2.031  -2.459   6.281
  130    HB2  ARG  16           HB2      ARG  16   1.861  -4.043   4.285
  131    HB3  ARG  16           HB3      ARG  16   0.748  -2.682   4.321
  132    HG2  ARG  16           HG2      ARG  16   1.733  -1.646   2.546
  133    HG3  ARG  16           HG3      ARG  16   3.320  -2.343   2.878
  134    HD2  ARG  16           HD2      ARG  16   2.284  -4.579   2.217
  135    HD3  ARG  16           HD3      ARG  16   0.945  -3.634   1.568
  136    HE   ARG  16           HE       ARG  16   3.447  -2.705   0.586
  137   HH11  ARG  16          HH11      ARG  16   1.069  -5.220   0.209
  138   HH12  ARG  16          HH12      ARG  16   1.468  -5.528  -1.449
  139   HH21  ARG  16          HH21      ARG  16   3.981  -3.102  -1.596
  140   HH22  ARG  16          HH22      ARG  16   3.125  -4.324  -2.474
  141    H    GLY  17           H        GLY  17   4.740  -1.848   4.119
  142    HA2  GLY  17           HA2      GLY  17   6.154  -4.238   4.512
  143    HA3  GLY  17           HA3      GLY  17   6.871  -2.696   4.067
  144    H    ARG  18           H        ARG  18   6.011  -1.306   6.451
  145    HA   ARG  18           HA       ARG  18   8.216  -1.843   8.114
  146    HB2  ARG  18           HB2      ARG  18   6.835   0.324   7.860
  147    HB3  ARG  18           HB3      ARG  18   5.754  -0.392   9.048
  148    HG2  ARG  18           HG2      ARG  18   7.447  -0.421  10.704
  149    HG3  ARG  18           HG3      ARG  18   8.698  -0.028   9.523
  150    HD2  ARG  18           HD2      ARG  18   7.533   2.148   9.135
  151    HD3  ARG  18           HD3      ARG  18   6.459   1.749  10.475
  152    HE   ARG  18           HE       ARG  18   9.118   1.539  11.344
  153   HH11  ARG  18          HH11      ARG  18   6.807   3.947  10.354
  154   HH12  ARG  18          HH12      ARG  18   7.505   5.203  11.321
  155   HH21  ARG  18          HH21      ARG  18  10.047   3.185  12.622
  156   HH22  ARG  18          HH22      ARG  18   9.349   4.769  12.610
  157    HN1  NH2  19           H1       NH2  19   4.752  -2.527   8.550
  158    HN2  NH2  19           H2       NH2  19   4.903  -3.714   9.768
  Start of MODEL    2
    1    H    PCA   1           H        PCA   1   1.685   0.046  -0.539
    2    HA   PCA   1           HA       PCA   1   0.706   2.067  -0.485
    3    HB2  PCA   1           HB2      PCA   1  -1.832   1.743   0.616
    4    HB3  PCA   1           HB3      PCA   1  -1.499   1.264  -1.058
    5    HG2  PCA   1           HG2      PCA   1  -1.418  -0.497   1.451
    6    HG3  PCA   1           HG3      PCA   1  -2.159  -0.864  -0.123
    7    H    CYS   2           H        CYS   2   0.896   3.573   0.943
    8    HA   CYS   2           HA       CYS   2   1.371   2.790   3.741
    9    HB2  CYS   2           HB2      CYS   2   2.469   5.134   2.175
   10    HB3  CYS   2           HB3      CYS   2   2.800   4.809   3.873
   11    H    ARG   3           H        ARG   3   0.251   3.731   5.352
   12    HA   ARG   3           HA       ARG   3  -1.572   5.934   4.639
   13    HB2  ARG   3           HB2      ARG   3  -3.172   5.007   6.279
   14    HB3  ARG   3           HB3      ARG   3  -2.849   3.895   4.955
   15    HG2  ARG   3           HG2      ARG   3  -1.389   2.582   6.349
   16    HG3  ARG   3           HG3      ARG   3  -1.556   3.743   7.669
   17    HD2  ARG   3           HD2      ARG   3  -3.670   3.051   8.194
   18    HD3  ARG   3           HD3      ARG   3  -4.032   2.549   6.542
   19    HE   ARG   3           HE       ARG   3  -3.352   0.452   7.108
   20   HH11  ARG   3          HH11      ARG   3  -1.893   2.714   9.317
   21   HH12  ARG   3          HH12      ARG   3  -1.159   1.487  10.294
   22   HH21  ARG   3          HH21      ARG   3  -2.391  -1.173   8.388
   23   HH22  ARG   3          HH22      ARG   3  -1.442  -0.724   9.764
   24    H    ARG   4           H        ARG   4  -1.887   7.560   6.153
   25    HA   ARG   4           HA       ARG   4   0.232   7.776   8.148
   26    HB2  ARG   4           HB2      ARG   4  -0.542   9.590   6.386
   27    HB3  ARG   4           HB3      ARG   4  -1.727   9.969   7.630
   28    HG2  ARG   4           HG2      ARG   4   0.206  10.188   9.235
   29    HG3  ARG   4           HG3      ARG   4   1.267  10.100   7.828
   30    HD2  ARG   4           HD2      ARG   4  -0.970  12.096   8.070
   31    HD3  ARG   4           HD3      ARG   4   0.667  12.422   8.636
   32    HE   ARG   4           HE       ARG   4   1.076  11.663   6.090
   33   HH11  ARG   4          HH11      ARG   4  -1.096  13.966   7.534
   34   HH12  ARG   4          HH12      ARG   4  -1.116  15.011   6.151
   35   HH21  ARG   4          HH21      ARG   4   1.061  13.029   4.264
   36   HH22  ARG   4          HH22      ARG   4   0.111  14.476   4.292
   37    H    LEU   5           H        LEU   5  -0.099   7.612  10.274
   38    HA   LEU   5           HA       LEU   5  -2.882   7.444  11.223
   39    HB2  LEU   5           HB2      LEU   5  -0.428   6.255  12.504
   40    HB3  LEU   5           HB3      LEU   5  -2.104   6.004  12.988
   41    HG   LEU   5           HG       LEU   5  -0.763   4.991  10.484
   42   HD11  LEU   5          HD11      LEU   5  -0.650   3.935  12.961
   43   HD12  LEU   5          HD12      LEU   5  -0.620   2.978  11.480
   44   HD13  LEU   5          HD13      LEU   5  -2.131   3.187  12.364
   45   HD21  LEU   5          HD21      LEU   5  -3.528   5.565  10.994
   46   HD22  LEU   5          HD22      LEU   5  -3.294   3.827  10.804
   47   HD23  LEU   5          HD23      LEU   5  -2.768   4.931   9.534
   48    H    CYS   6           H        CYS   6  -3.472   9.283  12.166
   49    HA   CYS   6           HA       CYS   6  -1.492  10.828  13.675
   50    HB2  CYS   6           HB2      CYS   6  -4.274  11.578  12.751
   51    HB3  CYS   6           HB3      CYS   6  -3.163  12.646  13.602
   52    H    TYR   7           H        TYR   7  -1.523  10.944  15.830
   53    HA   TYR   7           HA       TYR   7  -3.951  10.494  17.332
   54    HB2  TYR   7           HB2      TYR   7  -3.181   8.199  16.990
   55    HB3  TYR   7           HB3      TYR   7  -1.593   8.620  17.622
   56    HD1  TYR   7           HD1      TYR   7  -1.424   7.253  19.520
   57    HD2  TYR   7           HD2      TYR   7  -4.909   9.630  18.962
   58    HE1  TYR   7           HE1      TYR   7  -2.174   6.678  21.791
   59    HE2  TYR   7           HE2      TYR   7  -5.668   9.063  21.231
   60    HH   TYR   7           HH       TYR   7  -5.341   7.400  22.920
   61    H    LYS   8           H        LYS   8  -3.956  11.685  19.136
   62    HA   LYS   8           HA       LYS   8  -3.275  13.058  20.818
   63    HB2  LYS   8           HB2      LYS   8  -0.515  11.885  20.502
   64    HB3  LYS   8           HB3      LYS   8  -1.226  12.602  21.942
   65    HG2  LYS   8           HG2      LYS   8  -2.965  10.581  21.463
   66    HG3  LYS   8           HG3      LYS   8  -1.455   9.881  20.876
   67    HD2  LYS   8           HD2      LYS   8  -1.539  11.259  23.531
   68    HD3  LYS   8           HD3      LYS   8  -2.120   9.599  23.376
   69    HE2  LYS   8           HE2      LYS   8   0.570  10.411  22.329
   70    HE3  LYS   8           HE3      LYS   8   0.344   9.992  24.025
   71    HZ1  LYS   8           HZ1      LYS   8   1.056   8.083  22.736
   72    HZ2  LYS   8           HZ2      LYS   8  -0.281   8.238  21.712
   73    HZ3  LYS   8           HZ3      LYS   8  -0.506   7.834  23.339
   74    H    GLN   9           H        GLN   9  -3.530  14.426  18.648
   75    HA   GLN   9           HA       GLN   9  -2.850  16.201  17.388
   76    HB2  GLN   9           HB2      GLN   9  -0.968  16.825  19.654
   77    HB3  GLN   9           HB3      GLN   9  -1.791  17.950  18.581
   78    HG2  GLN   9           HG2      GLN   9  -3.012  16.285  20.766
   79    HG3  GLN   9           HG3      GLN   9  -2.840  18.039  20.717
   80   HE21  GLN   9          HE21      GLN   9  -3.919  19.079  18.784
   81   HE22  GLN   9          HE22      GLN   9  -5.491  18.495  18.372
   82    H    ARG  10           H        ARG  10  -1.425  13.746  16.933
   83    HA   ARG  10           HA       ARG  10   1.052  14.874  15.834
   84    HB2  ARG  10           HB2      ARG  10   0.848  12.184  17.200
   85    HB3  ARG  10           HB3      ARG  10   2.279  12.836  16.414
   86    HG2  ARG  10           HG2      ARG  10   1.464  14.765  18.282
   87    HG3  ARG  10           HG3      ARG  10   1.358  13.203  19.095
   88    HD2  ARG  10           HD2      ARG  10   3.704  12.802  18.049
   89    HD3  ARG  10           HD3      ARG  10   3.736  14.558  17.888
   90    HE   ARG  10           HE       ARG  10   3.021  14.095  20.492
   91   HH11  ARG  10          HH11      ARG  10   5.703  13.220  18.451
   92   HH12  ARG  10          HH12      ARG  10   6.845  13.166  19.753
   93   HH21  ARG  10          HH21      ARG  10   4.515  14.026  22.214
   94   HH22  ARG  10          HH22      ARG  10   6.168  13.624  21.893
   95    H    CYS  11           H        CYS  11   1.939  13.604  14.041
   96    HA   CYS  11           HA       CYS  11   0.081  11.756  12.758
   97    HB2  CYS  11           HB2      CYS  11   0.926  14.413  11.621
   98    HB3  CYS  11           HB3      CYS  11   0.459  13.078  10.571
   99    H    VAL  12           H        VAL  12   1.120  10.123  11.805
  100    HA   VAL  12           HA       VAL  12   3.893  10.499  10.931
  101    HB   VAL  12           HB       VAL  12   4.352   8.153  11.888
  102   HG11  VAL  12          HG11      VAL  12   5.059   9.085  14.027
  103   HG12  VAL  12          HG12      VAL  12   5.399  10.207  12.709
  104   HG13  VAL  12          HG13      VAL  12   4.019  10.487  13.771
  105   HG21  VAL  12          HG21      VAL  12   2.029   8.948  13.641
  106   HG22  VAL  12          HG22      VAL  12   2.015   7.643  12.456
  107   HG23  VAL  12          HG23      VAL  12   3.073   7.544  13.863
  108    H    THR  13           H        THR  13   4.603   9.016   9.340
  109    HA   THR  13           HA       THR  13   2.417   7.920   7.752
  110    HB   THR  13           HB       THR  13   5.351   8.242   7.089
  111    HG1  THR  13           HG1      THR  13   4.776  10.170   6.447
  112   HG21  THR  13          HG21      THR  13   4.577   7.808   4.748
  113   HG22  THR  13          HG22      THR  13   3.019   7.316   5.412
  114   HG23  THR  13          HG23      THR  13   4.476   6.408   5.815
  115    H    TYR  14           H        TYR  14   2.028   5.805   7.484
  116    HA   TYR  14           HA       TYR  14   3.993   3.894   8.566
  117    HB2  TYR  14           HB2      TYR  14   1.072   4.143   9.028
  118    HB3  TYR  14           HB3      TYR  14   1.706   2.512   8.845
  119    HD1  TYR  14           HD1      TYR  14   2.555   5.667  10.667
  120    HD2  TYR  14           HD2      TYR  14   2.347   1.419  10.768
  121    HE1  TYR  14           HE1      TYR  14   3.281   5.693  13.018
  122    HE2  TYR  14           HE2      TYR  14   3.071   1.433  13.119
  123    HH   TYR  14           HH       TYR  14   3.464   4.444  14.902
  124    H    CYS  15           H        CYS  15   4.197   1.900   7.507
  125    HA   CYS  15           HA       CYS  15   2.810   1.630   4.935
  126    HB2  CYS  15           HB2      CYS  15   5.796   1.339   5.335
  127    HB3  CYS  15           HB3      CYS  15   4.927   0.982   3.845
  128    H    ARG  16           H        ARG  16   2.476  -0.471   4.237
  129    HA   ARG  16           HA       ARG  16   2.080  -2.440   6.139
  130    HB2  ARG  16           HB2      ARG  16   2.060  -4.026   4.137
  131    HB3  ARG  16           HB3      ARG  16   0.930  -2.679   4.098
  132    HG2  ARG  16           HG2      ARG  16   2.093  -1.575   2.440
  133    HG3  ARG  16           HG3      ARG  16   3.605  -2.412   2.801
  134    HD2  ARG  16           HD2      ARG  16   2.645  -4.494   1.923
  135    HD3  ARG  16           HD3      ARG  16   1.153  -3.636   1.540
  136    HE   ARG  16           HE       ARG  16   2.159  -2.820  -0.339
  137   HH11  ARG  16          HH11      ARG  16   4.618  -3.960   1.846
  138   HH12  ARG  16          HH12      ARG  16   5.911  -3.735   0.716
  139   HH21  ARG  16          HH21      ARG  16   3.854  -2.519  -1.837
  140   HH22  ARG  16          HH22      ARG  16   5.476  -2.913  -1.378
  141    H    GLY  17           H        GLY  17   4.914  -1.796   4.152
  142    HA2  GLY  17           HA2      GLY  17   6.277  -4.179   5.105
  143    HA3  GLY  17           HA3      GLY  17   6.919  -2.985   3.987
  144    H    ARG  18           H        ARG  18   5.757  -2.982   7.362
  145    HA   ARG  18           HA       ARG  18   7.755  -1.049   8.111
  146    HB2  ARG  18           HB2      ARG  18   5.455  -1.126   9.098
  147    HB3  ARG  18           HB3      ARG  18   5.900  -2.626   9.899
  148    HG2  ARG  18           HG2      ARG  18   7.772  -1.355  10.999
  149    HG3  ARG  18           HG3      ARG  18   7.038   0.116  10.357
  150    HD2  ARG  18           HD2      ARG  18   6.265  -0.171  12.598
  151    HD3  ARG  18           HD3      ARG  18   4.922  -0.526  11.512
  152    HE   ARG  18           HE       ARG  18   4.884  -2.645  12.349
  153   HH11  ARG  18          HH11      ARG  18   8.008  -1.253  12.998
  154   HH12  ARG  18          HH12      ARG  18   8.556  -2.598  13.941
  155   HH21  ARG  18          HH21      ARG  18   5.594  -4.423  13.588
  156   HH22  ARG  18          HH22      ARG  18   7.183  -4.402  14.275
  157    HN1  NH2  19           H1       NH2  19   9.740  -2.051   7.759
  158    HN2  NH2  19           H2       NH2  19  10.361  -3.322   8.716
  Start of MODEL    3
    1    H    PCA   1           H        PCA   1   1.684   0.067  -0.555
    2    HA   PCA   1           HA       PCA   1   0.697   2.084  -0.492
    3    HB2  PCA   1           HB2      PCA   1  -1.841   1.743   0.606
    4    HB3  PCA   1           HB3      PCA   1  -1.505   1.274  -1.069
    5    HG2  PCA   1           HG2      PCA   1  -1.418  -0.498   1.431
    6    HG3  PCA   1           HG3      PCA   1  -2.154  -0.861  -0.146
    7    H    CYS   2           H        CYS   2   0.896   3.580   0.940
    8    HA   CYS   2           HA       CYS   2   1.360   2.787   3.737
    9    HB2  CYS   2           HB2      CYS   2   2.472   5.127   2.172
   10    HB3  CYS   2           HB3      CYS   2   2.789   4.812   3.876
   11    H    ARG   3           H        ARG   3   0.247   3.731   5.352
   12    HA   ARG   3           HA       ARG   3  -1.577   5.934   4.640
   13    HB2  ARG   3           HB2      ARG   3  -3.127   4.989   6.374
   14    HB3  ARG   3           HB3      ARG   3  -2.919   3.982   4.948
   15    HG2  ARG   3           HG2      ARG   3  -1.697   2.387   6.089
   16    HG3  ARG   3           HG3      ARG   3  -1.239   3.510   7.371
   17    HD2  ARG   3           HD2      ARG   3  -3.741   3.578   7.934
   18    HD3  ARG   3           HD3      ARG   3  -3.871   2.140   6.922
   19    HE   ARG   3           HE       ARG   3  -1.817   1.740   8.783
   20   HH11  ARG   3          HH11      ARG   3  -5.279   2.079   8.673
   21   HH12  ARG   3          HH12      ARG   3  -5.550   1.103  10.079
   22   HH21  ARG   3          HH21      ARG   3  -2.160   0.454  10.634
   23   HH22  ARG   3          HH22      ARG   3  -3.776   0.180  11.194
   24    H    ARG   4           H        ARG   4  -1.893   7.559   6.156
   25    HA   ARG   4           HA       ARG   4   0.229   7.774   8.150
   26    HB2  ARG   4           HB2      ARG   4  -0.537   9.589   6.388
   27    HB3  ARG   4           HB3      ARG   4  -1.729   9.968   7.625
   28    HG2  ARG   4           HG2      ARG   4   0.198  10.183   9.241
   29    HG3  ARG   4           HG3      ARG   4   1.263  10.106   7.836
   30    HD2  ARG   4           HD2      ARG   4  -0.980  12.095   8.103
   31    HD3  ARG   4           HD3      ARG   4   0.667  12.421   8.642
   32    HE   ARG   4           HE       ARG   4   1.032  11.667   6.087
   33   HH11  ARG   4          HH11      ARG   4  -1.119  13.966   7.573
   34   HH12  ARG   4          HH12      ARG   4  -1.163  15.013   6.193
   35   HH21  ARG   4          HH21      ARG   4   0.982  13.038   4.265
   36   HH22  ARG   4          HH22      ARG   4   0.031  14.484   4.312
   37    H    LEU   5           H        LEU   5  -0.102   7.612  10.277
   38    HA   LEU   5           HA       LEU   5  -2.886   7.446  11.225
   39    HB2  LEU   5           HB2      LEU   5  -0.431   6.254  12.502
   40    HB3  LEU   5           HB3      LEU   5  -2.106   6.007  12.992
   41    HG   LEU   5           HG       LEU   5  -0.811   5.010  10.456
   42   HD11  LEU   5          HD11      LEU   5  -0.137   3.760  12.421
   43   HD12  LEU   5          HD12      LEU   5  -1.237   2.799  11.433
   44   HD13  LEU   5          HD13      LEU   5  -1.823   3.572  12.906
   45   HD21  LEU   5          HD21      LEU   5  -3.541   5.568  11.019
   46   HD22  LEU   5          HD22      LEU   5  -3.332   3.817  10.955
   47   HD23  LEU   5          HD23      LEU   5  -2.840   4.815   9.586
   48    H    CYS   6           H        CYS   6  -3.473   9.286  12.167
   49    HA   CYS   6           HA       CYS   6  -1.491  10.828  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.270  11.584  12.751
   51    HB3  CYS   6           HB3      CYS   6  -3.157  12.650  13.601
   52    H    TYR   7           H        TYR   7  -1.523  10.942  15.831
   53    HA   TYR   7           HA       TYR   7  -3.954  10.501  17.331
   54    HB2  TYR   7           HB2      TYR   7  -3.188   8.202  16.986
   55    HB3  TYR   7           HB3      TYR   7  -1.603   8.619  17.628
   56    HD1  TYR   7           HD1      TYR   7  -1.450   7.247  19.524
   57    HD2  TYR   7           HD2      TYR   7  -4.926   9.634  18.948
   58    HE1  TYR   7           HE1      TYR   7  -2.215   6.670  21.790
   59    HE2  TYR   7           HE2      TYR   7  -5.699   9.065  21.213
   60    HH   TYR   7           HH       TYR   7  -5.254   7.976  23.091
   61    H    LYS   8           H        LYS   8  -3.956  11.686  19.141
   62    HA   LYS   8           HA       LYS   8  -3.270  13.056  20.824
   63    HB2  LYS   8           HB2      LYS   8  -0.518  11.865  20.502
   64    HB3  LYS   8           HB3      LYS   8  -1.214  12.598  21.941
   65    HG2  LYS   8           HG2      LYS   8  -2.970  10.572  21.437
   66    HG3  LYS   8           HG3      LYS   8  -1.434   9.869  20.926
   67    HD2  LYS   8           HD2      LYS   8  -0.778  11.099  23.292
   68    HD3  LYS   8           HD3      LYS   8  -2.410  10.504  23.605
   69    HE2  LYS   8           HE2      LYS   8  -1.760   8.351  23.590
   70    HE3  LYS   8           HE3      LYS   8  -0.649   8.593  22.241
   71    HZ1  LYS   8           HZ1      LYS   8   0.684   9.874  24.095
   72    HZ2  LYS   8           HZ2      LYS   8   0.832   8.202  23.896
   73    HZ3  LYS   8           HZ3      LYS   8  -0.163   8.823  25.114
   74    H    GLN   9           H        GLN   9  -3.521  14.424  18.651
   75    HA   GLN   9           HA       GLN   9  -2.836  16.200  17.395
   76    HB2  GLN   9           HB2      GLN   9  -0.954  16.815  19.664
   77    HB3  GLN   9           HB3      GLN   9  -1.769  17.944  18.590
   78    HG2  GLN   9           HG2      GLN   9  -3.930  16.913  19.642
   79    HG3  GLN   9           HG3      GLN   9  -2.829  16.460  20.941
   80   HE21  GLN   9          HE21      GLN   9  -4.557  18.996  19.426
   81   HE22  GLN   9          HE22      GLN   9  -4.093  20.262  20.506
   82    H    ARG  10           H        ARG  10  -1.420  13.743  16.936
   83    HA   ARG  10           HA       ARG  10   1.062  14.865  15.841
   84    HB2  ARG  10           HB2      ARG  10   0.847  12.168  17.192
   85    HB3  ARG  10           HB3      ARG  10   2.282  12.822  16.414
   86    HG2  ARG  10           HG2      ARG  10   1.498  14.753  18.276
   87    HG3  ARG  10           HG3      ARG  10   1.325  13.198  19.093
   88    HD2  ARG  10           HD2      ARG  10   3.687  12.751  18.017
   89    HD3  ARG  10           HD3      ARG  10   3.762  14.513  17.994
   90    HE   ARG  10           HE       ARG  10   3.902  12.796  20.301
   91   HH11  ARG  10          HH11      ARG  10   3.184  15.998  19.138
   92   HH12  ARG  10          HH12      ARG  10   3.484  16.760  20.665
   93   HH21  ARG  10          HH21      ARG  10   4.300  13.788  22.315
   94   HH22  ARG  10          HH22      ARG  10   4.120  15.503  22.471
   95    H    CYS  11           H        CYS  11   1.944  13.597  14.043
   96    HA   CYS  11           HA       CYS  11   0.081  11.761  12.752
   97    HB2  CYS  11           HB2      CYS  11   0.947  14.410  11.610
   98    HB3  CYS  11           HB3      CYS  11   0.438  13.082  10.573
   99    H    VAL  12           H        VAL  12   1.122  10.120  11.820
  100    HA   VAL  12           HA       VAL  12   3.892  10.497  10.931
  101    HB   VAL  12           HB       VAL  12   4.351   8.151  11.889
  102   HG11  VAL  12          HG11      VAL  12   4.025  10.485  13.772
  103   HG12  VAL  12          HG12      VAL  12   5.067   9.084  14.023
  104   HG13  VAL  12          HG13      VAL  12   5.400  10.208  12.705
  105   HG21  VAL  12          HG21      VAL  12   3.077   7.548  13.870
  106   HG22  VAL  12          HG22      VAL  12   2.031   8.950  13.646
  107   HG23  VAL  12          HG23      VAL  12   2.017   7.642  12.464
  108    H    THR  13           H        THR  13   4.597   9.013   9.340
  109    HA   THR  13           HA       THR  13   2.406   7.913   7.761
  110    HB   THR  13           HB       THR  13   5.335   8.243   7.083
  111    HG1  THR  13           HG1      THR  13   3.045   9.677   6.166
  112   HG21  THR  13          HG21      THR  13   2.995   7.252   5.464
  113   HG22  THR  13          HG22      THR  13   4.525   6.432   5.781
  114   HG23  THR  13          HG23      THR  13   4.484   7.848   4.731
  115    H    TYR  14           H        TYR  14   2.025   5.796   7.487
  116    HA   TYR  14           HA       TYR  14   3.997   3.892   8.571
  117    HB2  TYR  14           HB2      TYR  14   1.072   4.127   9.019
  118    HB3  TYR  14           HB3      TYR  14   1.715   2.499   8.837
  119    HD1  TYR  14           HD1      TYR  14   2.539   5.656  10.668
  120    HD2  TYR  14           HD2      TYR  14   2.354   1.407  10.762
  121    HE1  TYR  14           HE1      TYR  14   3.252   5.684  13.022
  122    HE2  TYR  14           HE2      TYR  14   3.065   1.422  13.116
  123    HH   TYR  14           HH       TYR  14   2.853   3.344  15.090
  124    H    CYS  15           H        CYS  15   4.172   1.873   7.528
  125    HA   CYS  15           HA       CYS  15   2.808   1.604   4.949
  126    HB2  CYS  15           HB2      CYS  15   5.797   1.332   5.336
  127    HB3  CYS  15           HB3      CYS  15   4.922   0.990   3.847
  128    H    ARG  16           H        ARG  16   2.361  -0.472   4.342
  129    HA   ARG  16           HA       ARG  16   2.111  -2.449   6.260
  130    HB2  ARG  16           HB2      ARG  16   1.904  -4.022   4.262
  131    HB3  ARG  16           HB3      ARG  16   0.789  -2.662   4.321
  132    HG2  ARG  16           HG2      ARG  16   1.734  -1.626   2.527
  133    HG3  ARG  16           HG3      ARG  16   3.333  -2.306   2.836
  134    HD2  ARG  16           HD2      ARG  16   2.214  -3.203   0.797
  135    HD3  ARG  16           HD3      ARG  16   2.670  -4.434   1.975
  136    HE   ARG  16           HE       ARG  16   0.035  -3.680   2.495
  137   HH11  ARG  16          HH11      ARG  16   1.877  -5.266   0.002
  138   HH12  ARG  16          HH12      ARG  16   0.550  -6.243  -0.537
  139   HH21  ARG  16          HH21      ARG  16  -1.717  -4.960   1.794
  140   HH22  ARG  16          HH22      ARG  16  -1.493  -6.068   0.483
  141    H    GLY  17           H        GLY  17   4.774  -1.805   4.053
  142    HA2  GLY  17           HA2      GLY  17   6.228  -4.149   4.269
  143    HA3  GLY  17           HA3      GLY  17   6.945  -2.557   4.057
  144    H    ARG  18           H        ARG  18   5.943  -1.523   6.584
  145    HA   ARG  18           HA       ARG  18   8.092  -2.369   8.248
  146    HB2  ARG  18           HB2      ARG  18   5.701  -0.701   9.042
  147    HB3  ARG  18           HB3      ARG  18   7.265  -0.761   9.843
  148    HG2  ARG  18           HG2      ARG  18   8.282   0.166   7.760
  149    HG3  ARG  18           HG3      ARG  18   6.648   0.385   7.133
  150    HD2  ARG  18           HD2      ARG  18   6.164   1.741   9.205
  151    HD3  ARG  18           HD3      ARG  18   7.894   1.685   9.544
  152    HE   ARG  18           HE       ARG  18   7.325   2.636   6.909
  153   HH11  ARG  18          HH11      ARG  18   7.498   3.555  10.262
  154   HH12  ARG  18          HH12      ARG  18   7.807   5.225   9.924
  155   HH21  ARG  18          HH21      ARG  18   7.732   4.833   6.451
  156   HH22  ARG  18          HH22      ARG  18   7.939   5.952   7.755
  157    HN1  NH2  19           H1       NH2  19   7.687  -4.633   8.471
  158    HN2  NH2  19           H2       NH2  19   6.545  -5.258   9.575
  Start of MODEL    4
    1    H    PCA   1           H        PCA   1   1.798   0.204  -0.587
    2    HA   PCA   1           HA       PCA   1   0.593   2.096  -0.458
    3    HB2  PCA   1           HB2      PCA   1  -1.856   1.455   0.704
    4    HB3  PCA   1           HB3      PCA   1  -1.521   1.051  -0.989
    5    HG2  PCA   1           HG2      PCA   1  -1.160  -0.736   1.476
    6    HG3  PCA   1           HG3      PCA   1  -1.899  -1.156  -0.086
    7    H    CYS   2           H        CYS   2   0.900   3.543   0.955
    8    HA   CYS   2           HA       CYS   2   1.362   2.772   3.758
    9    HB2  CYS   2           HB2      CYS   2   2.474   5.106   2.187
   10    HB3  CYS   2           HB3      CYS   2   2.802   4.782   3.886
   11    H    ARG   3           H        ARG   3   0.244   3.725   5.362
   12    HA   ARG   3           HA       ARG   3  -1.566   5.935   4.635
   13    HB2  ARG   3           HB2      ARG   3  -3.173   5.020   6.280
   14    HB3  ARG   3           HB3      ARG   3  -2.863   3.914   4.948
   15    HG2  ARG   3           HG2      ARG   3  -1.331   2.639   6.368
   16    HG3  ARG   3           HG3      ARG   3  -1.664   3.743   7.705
   17    HD2  ARG   3           HD2      ARG   3  -4.061   3.116   7.550
   18    HD3  ARG   3           HD3      ARG   3  -3.635   1.930   6.318
   19    HE   ARG   3           HE       ARG   3  -2.044   1.401   8.523
   20   HH11  ARG   3          HH11      ARG   3  -5.436   1.443   7.742
   21   HH12  ARG   3          HH12      ARG   3  -5.848   0.212   8.889
   22   HH21  ARG   3          HH21      ARG   3  -2.574  -0.221  10.036
   23   HH22  ARG   3          HH22      ARG   3  -4.221  -0.733  10.194
   24    H    ARG   4           H        ARG   4  -1.886   7.563   6.150
   25    HA   ARG   4           HA       ARG   4   0.231   7.778   8.147
   26    HB2  ARG   4           HB2      ARG   4  -0.542   9.593   6.386
   27    HB3  ARG   4           HB3      ARG   4  -1.729   9.970   7.627
   28    HG2  ARG   4           HG2      ARG   4   0.202  10.187   9.236
   29    HG3  ARG   4           HG3      ARG   4   1.264  10.107   7.829
   30    HD2  ARG   4           HD2      ARG   4  -0.979  12.097   8.086
   31    HD3  ARG   4           HD3      ARG   4   0.663  12.424   8.639
   32    HE   ARG   4           HE       ARG   4   1.046  11.667   6.085
   33   HH11  ARG   4          HH11      ARG   4  -1.098  13.978   7.562
   34   HH12  ARG   4          HH12      ARG   4  -1.126  15.028   6.184
   35   HH21  ARG   4          HH21      ARG   4   1.017  13.041   4.265
   36   HH22  ARG   4          HH22      ARG   4   0.076  14.494   4.309
   37    H    LEU   5           H        LEU   5  -0.100   7.615  10.273
   38    HA   LEU   5           HA       LEU   5  -2.882   7.444  11.222
   39    HB2  LEU   5           HB2      LEU   5  -0.426   6.252  12.495
   40    HB3  LEU   5           HB3      LEU   5  -2.100   6.006  12.988
   41    HG   LEU   5           HG       LEU   5  -0.811   5.010  10.448
   42   HD11  LEU   5          HD11      LEU   5  -1.398   2.787  11.489
   43   HD12  LEU   5          HD12      LEU   5  -1.683   3.664  12.992
   44   HD13  LEU   5          HD13      LEU   5  -0.080   3.676  12.256
   45   HD21  LEU   5          HD21      LEU   5  -3.329   3.815  10.962
   46   HD22  LEU   5          HD22      LEU   5  -2.842   4.805   9.585
   47   HD23  LEU   5          HD23      LEU   5  -3.538   5.566  11.016
   48    H    CYS   6           H        CYS   6  -3.471   9.281  12.166
   49    HA   CYS   6           HA       CYS   6  -1.491  10.825  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.271  11.574  12.749
   51    HB3  CYS   6           HB3      CYS   6  -3.167  12.643  13.608
   52    H    TYR   7           H        TYR   7  -1.525  10.944  15.831
   53    HA   TYR   7           HA       TYR   7  -3.953  10.490  17.332
   54    HB2  TYR   7           HB2      TYR   7  -3.174   8.196  16.989
   55    HB3  TYR   7           HB3      TYR   7  -1.590   8.621  17.628
   56    HD1  TYR   7           HD1      TYR   7  -1.432   7.242  19.520
   57    HD2  TYR   7           HD2      TYR   7  -4.908   9.629  18.960
   58    HE1  TYR   7           HE1      TYR   7  -2.187   6.664  21.788
   59    HE2  TYR   7           HE2      TYR   7  -5.673   9.059  21.226
   60    HH   TYR   7           HH       TYR   7  -3.733   6.972  23.349
   61    H    LYS   8           H        LYS   8  -3.962  11.687  19.132
   62    HA   LYS   8           HA       LYS   8  -3.285  13.062  20.813
   63    HB2  LYS   8           HB2      LYS   8  -0.525  11.886  20.505
   64    HB3  LYS   8           HB3      LYS   8  -1.235  12.612  21.941
   65    HG2  LYS   8           HG2      LYS   8  -2.980  10.603  21.501
   66    HG3  LYS   8           HG3      LYS   8  -1.495   9.887  20.869
   67    HD2  LYS   8           HD2      LYS   8  -1.403  11.270  23.505
   68    HD3  LYS   8           HD3      LYS   8  -2.145   9.672  23.416
   69    HE2  LYS   8           HE2      LYS   8  -0.123   8.732  22.505
   70    HE3  LYS   8           HE3      LYS   8   0.618  10.328  22.401
   71    HZ1  LYS   8           HZ1      LYS   8   0.306  10.428  24.891
   72    HZ2  LYS   8           HZ2      LYS   8   1.483   9.354  24.328
   73    HZ3  LYS   8           HZ3      LYS   8  -0.022   8.769  24.834
   74    H    GLN   9           H        GLN   9  -3.536  14.427  18.642
   75    HA   GLN   9           HA       GLN   9  -2.854  16.201  17.381
   76    HB2  GLN   9           HB2      GLN   9  -0.977  16.827  19.650
   77    HB3  GLN   9           HB3      GLN   9  -1.796  17.952  18.573
   78    HG2  GLN   9           HG2      GLN   9  -3.937  17.371  19.580
   79    HG3  GLN   9           HG3      GLN   9  -3.127  16.227  20.650
   80   HE21  GLN   9          HE21      GLN   9  -1.679  17.051  22.238
   81   HE22  GLN   9          HE22      GLN   9  -1.853  18.663  22.830
   82    H    ARG  10           H        ARG  10  -1.429  13.746  16.931
   83    HA   ARG  10           HA       ARG  10   1.052  14.873  15.838
   84    HB2  ARG  10           HB2      ARG  10   0.841  12.181  17.199
   85    HB3  ARG  10           HB3      ARG  10   2.275  12.832  16.417
   86    HG2  ARG  10           HG2      ARG  10   1.407  14.742  18.311
   87    HG3  ARG  10           HG3      ARG  10   1.398  13.162  19.099
   88    HD2  ARG  10           HD2      ARG  10   3.735  12.893  17.996
   89    HD3  ARG  10           HD3      ARG  10   3.677  14.650  17.858
   90    HE   ARG  10           HE       ARG  10   3.050  14.133  20.469
   91   HH11  ARG  10          HH11      ARG  10   5.714  13.370  18.362
   92   HH12  ARG  10          HH12      ARG  10   6.886  13.345  19.638
   93   HH21  ARG  10          HH21      ARG  10   4.583  14.102  22.157
   94   HH22  ARG  10          HH22      ARG  10   6.241  13.761  21.797
   95    H    CYS  11           H        CYS  11   1.940  13.605  14.043
   96    HA   CYS  11           HA       CYS  11   0.083  11.762  12.754
   97    HB2  CYS  11           HB2      CYS  11   0.943  14.413  11.616
   98    HB3  CYS  11           HB3      CYS  11   0.459  13.080  10.571
   99    H    VAL  12           H        VAL  12   1.120  10.131  11.790
  100    HA   VAL  12           HA       VAL  12   3.895  10.502  10.922
  101    HB   VAL  12           HB       VAL  12   4.353   8.159  11.884
  102   HG11  VAL  12          HG11      VAL  12   5.402  10.213  12.699
  103   HG12  VAL  12          HG12      VAL  12   4.023  10.496  13.763
  104   HG13  VAL  12          HG13      VAL  12   5.063   9.095  14.020
  105   HG21  VAL  12          HG21      VAL  12   2.007   7.664  12.451
  106   HG22  VAL  12          HG22      VAL  12   3.075   7.541  13.850
  107   HG23  VAL  12          HG23      VAL  12   2.042   8.956  13.651
  108    H    THR  13           H        THR  13   4.603   9.017   9.334
  109    HA   THR  13           HA       THR  13   2.417   7.918   7.749
  110    HB   THR  13           HB       THR  13   5.351   8.234   7.086
  111    HG1  THR  13           HG1      THR  13   4.771  10.096   6.185
  112   HG21  THR  13          HG21      THR  13   4.431   7.876   4.715
  113   HG22  THR  13          HG22      THR  13   3.021   7.175   5.510
  114   HG23  THR  13          HG23      THR  13   4.615   6.457   5.744
  115    H    TYR  14           H        TYR  14   2.025   5.804   7.486
  116    HA   TYR  14           HA       TYR  14   3.988   3.893   8.573
  117    HB2  TYR  14           HB2      TYR  14   1.067   4.146   9.034
  118    HB3  TYR  14           HB3      TYR  14   1.700   2.513   8.857
  119    HD1  TYR  14           HD1      TYR  14   2.577   5.673  10.661
  120    HD2  TYR  14           HD2      TYR  14   2.319   1.428  10.790
  121    HE1  TYR  14           HE1      TYR  14   3.303   5.707  13.011
  122    HE2  TYR  14           HE2      TYR  14   3.043   1.450  13.141
  123    HH   TYR  14           HH       TYR  14   2.855   3.536  15.105
  124    H    CYS  15           H        CYS  15   4.142   1.866   7.539
  125    HA   CYS  15           HA       CYS  15   2.777   1.612   4.955
  126    HB2  CYS  15           HB2      CYS  15   5.756   1.288   5.376
  127    HB3  CYS  15           HB3      CYS  15   4.894   0.921   3.885
  128    H    ARG  16           H        ARG  16   2.454  -0.497   4.243
  129    HA   ARG  16           HA       ARG  16   1.991  -2.450   6.145
  130    HB2  ARG  16           HB2      ARG  16   2.006  -4.048   4.153
  131    HB3  ARG  16           HB3      ARG  16   0.891  -2.690   4.076
  132    HG2  ARG  16           HG2      ARG  16   2.023  -1.673   2.384
  133    HG3  ARG  16           HG3      ARG  16   3.580  -2.341   2.875
  134    HD2  ARG  16           HD2      ARG  16   1.390  -4.065   1.759
  135    HD3  ARG  16           HD3      ARG  16   2.537  -3.226   0.715
  136    HE   ARG  16           HE       ARG  16   3.996  -4.634   2.628
  137   HH11  ARG  16          HH11      ARG  16   1.863  -5.281  -0.047
  138   HH12  ARG  16          HH12      ARG  16   2.591  -6.806  -0.427
  139   HH21  ARG  16          HH21      ARG  16   4.962  -6.641   2.137
  140   HH22  ARG  16          HH22      ARG  16   4.353  -7.579   0.816
  141    H    GLY  17           H        GLY  17   4.884  -1.832   4.240
  142    HA2  GLY  17           HA2      GLY  17   6.295  -4.182   4.663
  143    HA3  GLY  17           HA3      GLY  17   7.034  -2.599   4.473
  144    H    ARG  18           H        ARG  18   5.907  -1.413   6.816
  145    HA   ARG  18           HA       ARG  18   7.766  -2.457   8.755
  146    HB2  ARG  18           HB2      ARG  18   7.508  -0.046   8.506
  147    HB3  ARG  18           HB3      ARG  18   5.801  -0.166   8.911
  148    HG2  ARG  18           HG2      ARG  18   6.209  -0.503  11.142
  149    HG3  ARG  18           HG3      ARG  18   7.819  -1.167  10.856
  150    HD2  ARG  18           HD2      ARG  18   7.066   1.719  10.425
  151    HD3  ARG  18           HD3      ARG  18   7.819   1.097  11.894
  152    HE   ARG  18           HE       ARG  18   9.104   1.637   9.391
  153   HH11  ARG  18          HH11      ARG  18   9.216  -0.310  12.275
  154   HH12  ARG  18          HH12      ARG  18  10.923  -0.592  12.175
  155   HH21  ARG  18          HH21      ARG  18  11.351   1.273   9.249
  156   HH22  ARG  18          HH22      ARG  18  12.136   0.309  10.454
  157    HN1  NH2  19           H1       NH2  19   6.818  -4.539   9.116
  158    HN2  NH2  19           H2       NH2  19   5.469  -4.764  10.139
  Start of MODEL    5
    1    H    PCA   1           H        PCA   1   1.694   0.053  -0.535
    2    HA   PCA   1           HA       PCA   1   0.697   2.065  -0.478
    3    HB2  PCA   1           HB2      PCA   1  -1.837   1.717   0.624
    4    HB3  PCA   1           HB3      PCA   1  -1.501   1.243  -1.050
    5    HG2  PCA   1           HG2      PCA   1  -1.403  -0.519   1.456
    6    HG3  PCA   1           HG3      PCA   1  -2.140  -0.891  -0.118
    7    H    CYS   2           H        CYS   2   0.904   3.564   0.946
    8    HA   CYS   2           HA       CYS   2   1.369   2.785   3.746
    9    HB2  CYS   2           HB2      CYS   2   2.476   5.124   2.179
   10    HB3  CYS   2           HB3      CYS   2   2.802   4.802   3.879
   11    H    ARG   3           H        ARG   3   0.249   3.729   5.355
   12    HA   ARG   3           HA       ARG   3  -1.569   5.934   4.636
   13    HB2  ARG   3           HB2      ARG   3  -3.195   5.018   6.224
   14    HB3  ARG   3           HB3      ARG   3  -2.816   3.856   4.962
   15    HG2  ARG   3           HG2      ARG   3  -1.761   2.430   6.393
   16    HG3  ARG   3           HG3      ARG   3  -1.268   3.722   7.490
   17    HD2  ARG   3           HD2      ARG   3  -2.905   2.815   8.771
   18    HD3  ARG   3           HD3      ARG   3  -3.910   3.898   7.808
   19    HE   ARG   3           HE       ARG   3  -3.584   1.268   6.679
   20   HH11  ARG   3          HH11      ARG   3  -5.453   3.272   8.827
   21   HH12  ARG   3          HH12      ARG   3  -6.875   2.288   8.718
   22   HH21  ARG   3          HH21      ARG   3  -5.451  -0.035   6.528
   23   HH22  ARG   3          HH22      ARG   3  -6.872   0.407   7.412
   24    H    ARG   4           H        ARG   4  -1.892   7.559   6.154
   25    HA   ARG   4           HA       ARG   4   0.229   7.777   8.148
   26    HB2  ARG   4           HB2      ARG   4  -0.538   9.591   6.387
   27    HB3  ARG   4           HB3      ARG   4  -1.732   9.968   7.623
   28    HG2  ARG   4           HG2      ARG   4   0.195  10.183   9.240
   29    HG3  ARG   4           HG3      ARG   4   1.260  10.112   7.833
   30    HD2  ARG   4           HD2      ARG   4  -0.987  12.097   8.117
   31    HD3  ARG   4           HD3      ARG   4   0.666  12.424   8.637
   32    HE   ARG   4           HE       ARG   4   1.004  11.670   6.077
   33   HH11  ARG   4          HH11      ARG   4  -1.132  13.968   7.588
   34   HH12  ARG   4          HH12      ARG   4  -1.193  15.015   6.208
   35   HH21  ARG   4          HH21      ARG   4   0.931  13.041   4.255
   36   HH22  ARG   4          HH22      ARG   4  -0.019  14.487   4.314
   37    H    LEU   5           H        LEU   5  -0.102   7.614  10.275
   38    HA   LEU   5           HA       LEU   5  -2.886   7.446  11.223
   39    HB2  LEU   5           HB2      LEU   5  -0.433   6.254  12.500
   40    HB3  LEU   5           HB3      LEU   5  -2.108   6.006  12.988
   41    HG   LEU   5           HG       LEU   5  -0.776   4.991  10.480
   42   HD11  LEU   5          HD11      LEU   5  -1.513   2.789  11.516
   43   HD12  LEU   5          HD12      LEU   5  -1.758   3.699  13.007
   44   HD13  LEU   5          HD13      LEU   5  -0.154   3.617  12.278
   45   HD21  LEU   5          HD21      LEU   5  -2.786   4.945   9.539
   46   HD22  LEU   5          HD22      LEU   5  -3.542   5.561  11.009
   47   HD23  LEU   5          HD23      LEU   5  -3.303   3.826  10.801
   48    H    CYS   6           H        CYS   6  -3.474   9.285  12.167
   49    HA   CYS   6           HA       CYS   6  -1.492  10.827  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.273  11.579  12.751
   51    HB3  CYS   6           HB3      CYS   6  -3.166  12.647  13.608
   52    H    TYR   7           H        TYR   7  -1.524  10.945  15.831
   53    HA   TYR   7           HA       TYR   7  -3.951  10.494  17.334
   54    HB2  TYR   7           HB2      TYR   7  -3.180   8.198  16.991
   55    HB3  TYR   7           HB3      TYR   7  -1.593   8.621  17.624
   56    HD1  TYR   7           HD1      TYR   7  -1.430   7.243  19.518
   57    HD2  TYR   7           HD2      TYR   7  -4.906   9.634  18.964
   58    HE1  TYR   7           HE1      TYR   7  -2.182   6.667  21.787
   59    HE2  TYR   7           HE2      TYR   7  -5.666   9.065  21.233
   60    HH   TYR   7           HH       TYR   7  -4.161   6.599  23.111
   61    H    LYS   8           H        LYS   8  -3.957  11.687  19.137
   62    HA   LYS   8           HA       LYS   8  -3.275  13.060  20.818
   63    HB2  LYS   8           HB2      LYS   8  -0.518  11.879  20.502
   64    HB3  LYS   8           HB3      LYS   8  -1.221  12.608  21.940
   65    HG2  LYS   8           HG2      LYS   8  -2.973  10.600  21.498
   66    HG3  LYS   8           HG3      LYS   8  -1.484   9.883  20.876
   67    HD2  LYS   8           HD2      LYS   8  -1.721  11.177  23.589
   68    HD3  LYS   8           HD3      LYS   8  -1.928   9.447  23.303
   69    HE2  LYS   8           HE2      LYS   8   0.547  11.057  22.677
   70    HE3  LYS   8           HE3      LYS   8   0.341   9.988  24.064
   71    HZ1  LYS   8           HZ1      LYS   8   1.439   8.659  22.559
   72    HZ2  LYS   8           HZ2      LYS   8   0.629   9.294  21.218
   73    HZ3  LYS   8           HZ3      LYS   8  -0.170   8.231  22.265
   74    H    GLN   9           H        GLN   9  -3.528  14.428  18.647
   75    HA   GLN   9           HA       GLN   9  -2.845  16.202  17.387
   76    HB2  GLN   9           HB2      GLN   9  -0.964  16.826  19.654
   77    HB3  GLN   9           HB3      GLN   9  -1.786  17.951  18.581
   78    HG2  GLN   9           HG2      GLN   9  -3.952  17.094  19.599
   79    HG3  GLN   9           HG3      GLN   9  -2.939  16.347  20.835
   80   HE21  GLN   9          HE21      GLN   9  -4.731  18.097  21.696
   81   HE22  GLN   9          HE22      GLN   9  -3.994  19.592  22.150
   82    H    ARG  10           H        ARG  10  -1.424  13.747  16.932
   83    HA   ARG  10           HA       ARG  10   1.056  14.872  15.836
   84    HB2  ARG  10           HB2      ARG  10   0.845  12.181  17.198
   85    HB3  ARG  10           HB3      ARG  10   2.278  12.830  16.414
   86    HG2  ARG  10           HG2      ARG  10   1.416  14.742  18.309
   87    HG3  ARG  10           HG3      ARG  10   1.407  13.162  19.096
   88    HD2  ARG  10           HD2      ARG  10   3.745  12.914  17.945
   89    HD3  ARG  10           HD3      ARG  10   3.680  14.676  17.894
   90    HE   ARG  10           HE       ARG  10   3.085  14.121  20.468
   91   HH11  ARG  10          HH11      ARG  10   5.666  13.124  18.355
   92   HH12  ARG  10          HH12      ARG  10   6.824  12.957  19.633
   93   HH21  ARG  10          HH21      ARG  10   4.601  13.904  22.160
   94   HH22  ARG  10          HH22      ARG  10   6.216  13.400  21.797
   95    H    CYS  11           H        CYS  11   1.941  13.604  14.041
   96    HA   CYS  11           HA       CYS  11   0.081  11.761  12.754
   97    HB2  CYS  11           HB2      CYS  11   0.935  14.414  11.618
   98    HB3  CYS  11           HB3      CYS  11   0.459  13.082  10.570
   99    H    VAL  12           H        VAL  12   1.120  10.124  11.807
  100    HA   VAL  12           HA       VAL  12   3.893  10.497  10.931
  101    HB   VAL  12           HB       VAL  12   4.348   8.151  11.890
  102   HG11  VAL  12          HG11      VAL  12   5.045   9.085  14.038
  103   HG12  VAL  12          HG12      VAL  12   5.406  10.193  12.714
  104   HG13  VAL  12          HG13      VAL  12   4.020  10.494  13.762
  105   HG21  VAL  12          HG21      VAL  12   2.032   8.947  13.650
  106   HG22  VAL  12          HG22      VAL  12   2.004   7.652  12.455
  107   HG23  VAL  12          HG23      VAL  12   3.067   7.535  13.856
  108    H    THR  13           H        THR  13   4.601   9.013   9.342
  109    HA   THR  13           HA       THR  13   2.413   7.916   7.757
  110    HB   THR  13           HB       THR  13   5.345   8.246   7.088
  111    HG1  THR  13           HG1      THR  13   3.062   9.672   6.145
  112   HG21  THR  13          HG21      THR  13   3.025   7.398   5.347
  113   HG22  THR  13          HG22      THR  13   4.375   6.381   5.855
  114   HG23  THR  13          HG23      THR  13   4.657   7.749   4.778
  115    H    TYR  14           H        TYR  14   2.029   5.800   7.486
  116    HA   TYR  14           HA       TYR  14   3.998   3.893   8.567
  117    HB2  TYR  14           HB2      TYR  14   1.077   4.137   9.029
  118    HB3  TYR  14           HB3      TYR  14   1.712   2.505   8.841
  119    HD1  TYR  14           HD1      TYR  14   2.493   5.660  10.693
  120    HD2  TYR  14           HD2      TYR  14   2.424   1.406  10.741
  121    HE1  TYR  14           HE1      TYR  14   3.221   5.680  13.043
  122    HE2  TYR  14           HE2      TYR  14   3.149   1.414  13.091
  123    HH   TYR  14           HH       TYR  14   4.523   3.199  14.586
  124    H    CYS  15           H        CYS  15   4.201   1.897   7.509
  125    HA   CYS  15           HA       CYS  15   2.820   1.630   4.933
  126    HB2  CYS  15           HB2      CYS  15   5.805   1.335   5.338
  127    HB3  CYS  15           HB3      CYS  15   4.938   0.979   3.847
  128    H    ARG  16           H        ARG  16   2.495  -0.474   4.226
  129    HA   ARG  16           HA       ARG  16   2.098  -2.443   6.133
  130    HB2  ARG  16           HB2      ARG  16   2.055  -4.024   4.133
  131    HB3  ARG  16           HB3      ARG  16   0.935  -2.670   4.097
  132    HG2  ARG  16           HG2      ARG  16   2.014  -1.639   2.377
  133    HG3  ARG  16           HG3      ARG  16   3.586  -2.309   2.816
  134    HD2  ARG  16           HD2      ARG  16   1.423  -4.127   1.850
  135    HD3  ARG  16           HD3      ARG  16   2.329  -3.161   0.687
  136    HE   ARG  16           HE       ARG  16   4.232  -4.373   2.243
  137   HH11  ARG  16          HH11      ARG  16   1.590  -5.445   0.244
  138   HH12  ARG  16          HH12      ARG  16   2.349  -6.942  -0.183
  139   HH21  ARG  16          HH21      ARG  16   5.241  -6.342   1.688
  140   HH22  ARG  16          HH22      ARG  16   4.425  -7.452   0.641
  141    H    GLY  17           H        GLY  17   4.922  -1.790   4.138
  142    HA2  GLY  17           HA2      GLY  17   6.289  -4.195   4.980
  143    HA3  GLY  17           HA3      GLY  17   6.955  -2.906   3.989
  144    H    ARG  18           H        ARG  18   5.692  -3.195   7.314
  145    HA   ARG  18           HA       ARG  18   8.090  -1.748   8.226
  146    HB2  ARG  18           HB2      ARG  18   5.230  -1.613   9.042
  147    HB3  ARG  18           HB3      ARG  18   6.446  -1.387  10.292
  148    HG2  ARG  18           HG2      ARG  18   6.717   0.168   7.777
  149    HG3  ARG  18           HG3      ARG  18   5.464   0.639   8.927
  150    HD2  ARG  18           HD2      ARG  18   7.013   1.117  10.603
  151    HD3  ARG  18           HD3      ARG  18   8.283   0.170   9.827
  152    HE   ARG  18           HE       ARG  18   7.535   2.323   8.164
  153   HH11  ARG  18          HH11      ARG  18   9.242   1.634  11.118
  154   HH12  ARG  18          HH12      ARG  18  10.288   3.010  10.988
  155   HH21  ARG  18          HH21      ARG  18   8.904   4.138   7.981
  156   HH22  ARG  18          HH22      ARG  18  10.093   4.435   9.204
  157    HN1  NH2  19           H1       NH2  19   8.453  -2.205  10.690
  158    HN2  NH2  19           H2       NH2  19   8.507  -3.845  11.162
  Start of MODEL    6
    1    H    PCA   1           H        PCA   1   1.766   0.176  -0.588
    2    HA   PCA   1           HA       PCA   1   0.627   2.109  -0.477
    3    HB2  PCA   1           HB2      PCA   1  -1.853   1.559   0.665
    4    HB3  PCA   1           HB3      PCA   1  -1.517   1.136  -1.023
    5    HG2  PCA   1           HG2      PCA   1  -1.241  -0.653   1.452
    6    HG3  PCA   1           HG3      PCA   1  -1.980  -1.053  -0.116
    7    H    CYS   2           H        CYS   2   0.900   3.567   0.943
    8    HA   CYS   2           HA       CYS   2   1.366   2.785   3.743
    9    HB2  CYS   2           HB2      CYS   2   2.473   5.125   2.176
   10    HB3  CYS   2           HB3      CYS   2   2.799   4.805   3.876
   11    H    ARG   3           H        ARG   3   0.246   3.730   5.353
   12    HA   ARG   3           HA       ARG   3  -1.573   5.934   4.636
   13    HB2  ARG   3           HB2      ARG   3  -3.126   4.993   6.369
   14    HB3  ARG   3           HB3      ARG   3  -2.916   3.983   4.945
   15    HG2  ARG   3           HG2      ARG   3  -1.398   2.537   6.154
   16    HG3  ARG   3           HG3      ARG   3  -1.506   3.579   7.574
   17    HD2  ARG   3           HD2      ARG   3  -3.615   2.870   8.104
   18    HD3  ARG   3           HD3      ARG   3  -4.029   2.504   6.429
   19    HE   ARG   3           HE       ARG   3  -2.021   0.742   7.362
   20   HH11  ARG   3          HH11      ARG   3  -5.427   1.408   7.633
   21   HH12  ARG   3          HH12      ARG   3  -5.853  -0.231   7.997
   22   HH21  ARG   3          HH21      ARG   3  -2.568  -1.420   7.841
   23   HH22  ARG   3          HH22      ARG   3  -4.226  -1.839   8.116
   24    H    ARG   4           H        ARG   4  -1.896   7.558   6.156
   25    HA   ARG   4           HA       ARG   4   0.226   7.777   8.147
   26    HB2  ARG   4           HB2      ARG   4  -0.539   9.592   6.388
   27    HB3  ARG   4           HB3      ARG   4  -1.736   9.966   7.619
   28    HG2  ARG   4           HG2      ARG   4   0.191  10.180   9.242
   29    HG3  ARG   4           HG3      ARG   4   1.254  10.118   7.835
   30    HD2  ARG   4           HD2      ARG   4  -1.003  12.090   8.106
   31    HD3  ARG   4           HD3      ARG   4   0.637  12.424   8.660
   32    HE   ARG   4           HE       ARG   4   0.995  11.671   6.088
   33   HH11  ARG   4          HH11      ARG   4  -1.063  14.018   7.629
   34   HH12  ARG   4          HH12      ARG   4  -1.075  15.092   6.268
   35   HH21  ARG   4          HH21      ARG   4   0.986  13.076   4.291
   36   HH22  ARG   4          HH22      ARG   4   0.090  14.555   4.370
   37    H    LEU   5           H        LEU   5  -0.103   7.615  10.275
   38    HA   LEU   5           HA       LEU   5  -2.886   7.446  11.224
   39    HB2  LEU   5           HB2      LEU   5  -0.431   6.254  12.500
   40    HB3  LEU   5           HB3      LEU   5  -2.106   6.005  12.990
   41    HG   LEU   5           HG       LEU   5  -0.805   5.010  10.456
   42   HD11  LEU   5          HD11      LEU   5  -1.593   2.801  11.593
   43   HD12  LEU   5          HD12      LEU   5  -1.535   3.766  13.068
   44   HD13  LEU   5          HD13      LEU   5  -0.082   3.562  12.090
   45   HD21  LEU   5          HD21      LEU   5  -2.832   4.827   9.577
   46   HD22  LEU   5          HD22      LEU   5  -3.540   5.567  11.013
   47   HD23  LEU   5          HD23      LEU   5  -3.327   3.818  10.935
   48    H    CYS   6           H        CYS   6  -3.474   9.285  12.168
   49    HA   CYS   6           HA       CYS   6  -1.492  10.827  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.272  11.579  12.750
   51    HB3  CYS   6           HB3      CYS   6  -3.165  12.647  13.608
   52    H    TYR   7           H        TYR   7  -1.524  10.945  15.832
   53    HA   TYR   7           HA       TYR   7  -3.952  10.494  17.335
   54    HB2  TYR   7           HB2      TYR   7  -3.175   8.199  16.989
   55    HB3  TYR   7           HB3      TYR   7  -1.593   8.624  17.632
   56    HD1  TYR   7           HD1      TYR   7  -1.439   7.244  19.524
   57    HD2  TYR   7           HD2      TYR   7  -4.913   9.633  18.954
   58    HE1  TYR   7           HE1      TYR   7  -2.202   6.666  21.790
   59    HE2  TYR   7           HE2      TYR   7  -5.685   9.062  21.219
   60    HH   TYR   7           HH       TYR   7  -4.300   8.263  23.488
   61    H    LYS   8           H        LYS   8  -3.959  11.689  19.136
   62    HA   LYS   8           HA       LYS   8  -3.279  13.064  20.816
   63    HB2  LYS   8           HB2      LYS   8  -0.521  11.883  20.503
   64    HB3  LYS   8           HB3      LYS   8  -1.227  12.612  21.941
   65    HG2  LYS   8           HG2      LYS   8  -2.977  10.606  21.509
   66    HG3  LYS   8           HG3      LYS   8  -1.497   9.888  20.870
   67    HD2  LYS   8           HD2      LYS   8  -1.486   9.281  23.125
   68    HD3  LYS   8           HD3      LYS   8  -0.409  10.678  23.060
   69    HE2  LYS   8           HE2      LYS   8  -2.446  12.076  23.663
   70    HE3  LYS   8           HE3      LYS   8  -3.250  10.553  24.039
   71    HZ1  LYS   8           HZ1      LYS   8  -2.389  10.921  26.063
   72    HZ2  LYS   8           HZ2      LYS   8  -1.181  11.960  25.498
   73    HZ3  LYS   8           HZ3      LYS   8  -0.970  10.285  25.399
   74    H    GLN   9           H        GLN   9  -3.531  14.429  18.643
   75    HA   GLN   9           HA       GLN   9  -2.848  16.203  17.384
   76    HB2  GLN   9           HB2      GLN   9  -0.970  16.827  19.653
   77    HB3  GLN   9           HB3      GLN   9  -1.787  17.952  18.576
   78    HG2  GLN   9           HG2      GLN   9  -3.956  17.067  19.595
   79    HG3  GLN   9           HG3      GLN   9  -2.929  16.372  20.849
   80   HE21  GLN   9          HE21      GLN   9  -4.978  18.515  20.916
   81   HE22  GLN   9          HE22      GLN   9  -4.184  19.877  21.623
   82    H    ARG  10           H        ARG  10  -1.425  13.747  16.933
   83    HA   ARG  10           HA       ARG  10   1.055  14.872  15.837
   84    HB2  ARG  10           HB2      ARG  10   0.844  12.180  17.198
   85    HB3  ARG  10           HB3      ARG  10   2.278  12.830  16.416
   86    HG2  ARG  10           HG2      ARG  10   1.483  14.765  18.276
   87    HG3  ARG  10           HG3      ARG  10   1.333  13.209  19.095
   88    HD2  ARG  10           HD2      ARG  10   3.679  12.742  18.100
   89    HD3  ARG  10           HD3      ARG  10   3.756  14.491  17.892
   90    HE   ARG  10           HE       ARG  10   3.003  14.122  20.498
   91   HH11  ARG  10          HH11      ARG  10   5.680  13.109  18.516
   92   HH12  ARG  10          HH12      ARG  10   6.805  13.059  19.833
   93   HH21  ARG  10          HH21      ARG  10   4.474  14.058  22.239
   94   HH22  ARG  10          HH22      ARG  10   6.117  13.598  21.951
   95    H    CYS  11           H        CYS  11   1.942  13.603  14.043
   96    HA   CYS  11           HA       CYS  11   0.082  11.761  12.754
   97    HB2  CYS  11           HB2      CYS  11   0.941  14.413  11.617
   98    HB3  CYS  11           HB3      CYS  11   0.459  13.082  10.572
   99    H    VAL  12           H        VAL  12   1.119  10.127  11.800
  100    HA   VAL  12           HA       VAL  12   3.893  10.498  10.928
  101    HB   VAL  12           HB       VAL  12   4.348   8.152  11.887
  102   HG11  VAL  12          HG11      VAL  12   5.396  10.209  12.706
  103   HG12  VAL  12          HG12      VAL  12   4.019  10.483  13.774
  104   HG13  VAL  12          HG13      VAL  12   5.063   9.083  14.021
  105   HG21  VAL  12          HG21      VAL  12   3.068   7.525  13.842
  106   HG22  VAL  12          HG22      VAL  12   2.043   8.949  13.665
  107   HG23  VAL  12          HG23      VAL  12   1.993   7.670  12.452
  108    H    THR  13           H        THR  13   4.601   9.013   9.340
  109    HA   THR  13           HA       THR  13   2.413   7.914   7.755
  110    HB   THR  13           HB       THR  13   5.344   8.242   7.085
  111    HG1  THR  13           HG1      THR  13   4.758  10.180   6.491
  112   HG21  THR  13          HG21      THR  13   4.565   7.807   4.746
  113   HG22  THR  13          HG22      THR  13   3.011   7.310   5.414
  114   HG23  THR  13          HG23      THR  13   4.473   6.407   5.813
  115    H    TYR  14           H        TYR  14   2.028   5.798   7.485
  116    HA   TYR  14           HA       TYR  14   3.998   3.892   8.568
  117    HB2  TYR  14           HB2      TYR  14   1.076   4.136   9.027
  118    HB3  TYR  14           HB3      TYR  14   1.710   2.504   8.838
  119    HD1  TYR  14           HD1      TYR  14   2.548   5.654  10.677
  120    HD2  TYR  14           HD2      TYR  14   2.360   1.405  10.756
  121    HE1  TYR  14           HE1      TYR  14   3.273   5.672  13.027
  122    HE2  TYR  14           HE2      TYR  14   3.083   1.410  13.106
  123    HH   TYR  14           HH       TYR  14   4.041   2.709  14.735
  124    H    CYS  15           H        CYS  15   4.199   1.893   7.514
  125    HA   CYS  15           HA       CYS  15   2.820   1.620   4.938
  126    HB2  CYS  15           HB2      CYS  15   5.807   1.341   5.336
  127    HB3  CYS  15           HB3      CYS  15   4.939   0.986   3.846
  128    H    ARG  16           H        ARG  16   2.459  -0.475   4.264
  129    HA   ARG  16           HA       ARG  16   2.106  -2.447   6.169
  130    HB2  ARG  16           HB2      ARG  16   2.047  -4.030   4.166
  131    HB3  ARG  16           HB3      ARG  16   0.913  -2.685   4.153
  132    HG2  ARG  16           HG2      ARG  16   1.955  -1.638   2.421
  133    HG3  ARG  16           HG3      ARG  16   3.539  -2.299   2.829
  134    HD2  ARG  16           HD2      ARG  16   1.246  -3.822   1.598
  135    HD3  ARG  16           HD3      ARG  16   2.683  -3.254   0.750
  136    HE   ARG  16           HE       ARG  16   3.704  -4.782   2.731
  137   HH11  ARG  16          HH11      ARG  16   1.264  -5.331   0.310
  138   HH12  ARG  16          HH12      ARG  16   1.575  -7.030   0.195
  139   HH21  ARG  16          HH21      ARG  16   4.123  -7.020   2.589
  140   HH22  ARG  16          HH22      ARG  16   3.200  -7.990   1.492
  141    H    GLY  17           H        GLY  17   4.901  -1.789   4.136
  142    HA2  GLY  17           HA2      GLY  17   6.310  -4.048   5.405
  143    HA3  GLY  17           HA3      GLY  17   6.756  -3.321   3.868
  144    H    ARG  18           H        ARG  18   6.006  -1.812   6.996
  145    HA   ARG  18           HA       ARG  18   8.331  -0.126   6.773
  146    HB2  ARG  18           HB2      ARG  18   6.076   0.564   7.730
  147    HB3  ARG  18           HB3      ARG  18   6.503  -0.371   9.157
  148    HG2  ARG  18           HG2      ARG  18   8.684   1.113   9.041
  149    HG3  ARG  18           HG3      ARG  18   7.600   2.203   8.174
  150    HD2  ARG  18           HD2      ARG  18   6.287   2.579  10.007
  151    HD3  ARG  18           HD3      ARG  18   6.637   1.003  10.716
  152    HE   ARG  18           HE       ARG  18   8.983   2.539  10.724
  153   HH11  ARG  18          HH11      ARG  18   5.853   2.436  12.243
  154   HH12  ARG  18          HH12      ARG  18   6.393   3.193  13.705
  155   HH21  ARG  18          HH21      ARG  18   9.706   3.536  12.644
  156   HH22  ARG  18          HH22      ARG  18   8.585   3.818  13.932
  157    HN1  NH2  19           H1       NH2  19   9.498  -2.426   6.748
  158    HN2  NH2  19           H2       NH2  19  10.211  -2.901   8.224
  Start of MODEL    7
    1    H    PCA   1           H        PCA   1   1.721   0.088  -0.547
    2    HA   PCA   1           HA       PCA   1   0.672   2.072  -0.473
    3    HB2  PCA   1           HB2      PCA   1  -1.846   1.651   0.641
    4    HB3  PCA   1           HB3      PCA   1  -1.507   1.196  -1.038
    5    HG2  PCA   1           HG2      PCA   1  -1.349  -0.577   1.458
    6    HG3  PCA   1           HG3      PCA   1  -2.085  -0.960  -0.114
    7    H    CYS   2           H        CYS   2   0.906   3.556   0.950
    8    HA   CYS   2           HA       CYS   2   1.362   2.776   3.751
    9    HB2  CYS   2           HB2      CYS   2   2.482   5.107   2.179
   10    HB3  CYS   2           HB3      CYS   2   2.798   4.795   3.883
   11    H    ARG   3           H        ARG   3   0.244   3.728   5.357
   12    HA   ARG   3           HA       ARG   3  -1.567   5.938   4.633
   13    HB2  ARG   3           HB2      ARG   3  -3.157   5.014   6.310
   14    HB3  ARG   3           HB3      ARG   3  -2.884   3.944   4.941
   15    HG2  ARG   3           HG2      ARG   3  -1.503   2.507   6.232
   16    HG3  ARG   3           HG3      ARG   3  -1.451   3.658   7.568
   17    HD2  ARG   3           HD2      ARG   3  -3.866   3.363   7.896
   18    HD3  ARG   3           HD3      ARG   3  -3.893   2.189   6.579
   19    HE   ARG   3           HE       ARG   3  -2.006   1.306   8.407
   20   HH11  ARG   3          HH11      ARG   3  -5.433   1.913   8.326
   21   HH12  ARG   3          HH12      ARG   3  -5.808   0.703   9.507
   22   HH21  ARG   3          HH21      ARG   3  -2.485  -0.290   9.963
   23   HH22  ARG   3          HH22      ARG   3  -4.130  -0.550  10.438
   24    H    ARG   4           H        ARG   4  -1.886   7.564   6.149
   25    HA   ARG   4           HA       ARG   4   0.231   7.778   8.145
   26    HB2  ARG   4           HB2      ARG   4  -0.539   9.594   6.385
   27    HB3  ARG   4           HB3      ARG   4  -1.728   9.971   7.625
   28    HG2  ARG   4           HG2      ARG   4   0.200  10.188   9.237
   29    HG3  ARG   4           HG3      ARG   4   1.265  10.107   7.831
   30    HD2  ARG   4           HD2      ARG   4  -0.978  12.098   8.084
   31    HD3  ARG   4           HD3      ARG   4   0.662  12.424   8.641
   32    HE   ARG   4           HE       ARG   4   1.057  11.671   6.090
   33   HH11  ARG   4          HH11      ARG   4  -1.110  13.969   7.553
   34   HH12  ARG   4          HH12      ARG   4  -1.139  15.016   6.173
   35   HH21  ARG   4          HH21      ARG   4   1.027  13.041   4.267
   36   HH22  ARG   4          HH22      ARG   4   0.076  14.487   4.304
   37    H    LEU   5           H        LEU   5  -0.100   7.617  10.272
   38    HA   LEU   5           HA       LEU   5  -2.884   7.447  11.220
   39    HB2  LEU   5           HB2      LEU   5  -0.426   6.252  12.489
   40    HB3  LEU   5           HB3      LEU   5  -2.098   6.010  12.990
   41    HG   LEU   5           HG       LEU   5  -0.815   5.002  10.453
   42   HD11  LEU   5          HD11      LEU   5  -1.416   3.827  13.101
   43   HD12  LEU   5          HD12      LEU   5  -0.114   3.471  11.967
   44   HD13  LEU   5          HD13      LEU   5  -1.731   2.825  11.684
   45   HD21  LEU   5          HD21      LEU   5  -2.853   4.884   9.583
   46   HD22  LEU   5          HD22      LEU   5  -3.559   5.551  11.055
   47   HD23  LEU   5          HD23      LEU   5  -3.324   3.809  10.900
   48    H    CYS   6           H        CYS   6  -3.473   9.284  12.166
   49    HA   CYS   6           HA       CYS   6  -1.491  10.828  13.676
   50    HB2  CYS   6           HB2      CYS   6  -4.273  11.576  12.753
   51    HB3  CYS   6           HB3      CYS   6  -3.167  12.645  13.608
   52    H    TYR   7           H        TYR   7  -1.521  10.943  15.830
   53    HA   TYR   7           HA       TYR   7  -3.947  10.490  17.334
   54    HB2  TYR   7           HB2      TYR   7  -3.170   8.195  16.986
   55    HB3  TYR   7           HB3      TYR   7  -1.586   8.619  17.626
   56    HD1  TYR   7           HD1      TYR   7  -1.427   7.241  19.518
   57    HD2  TYR   7           HD2      TYR   7  -4.906   9.624  18.956
   58    HE1  TYR   7           HE1      TYR   7  -2.183   6.659  21.785
   59    HE2  TYR   7           HE2      TYR   7  -5.671   9.051  21.222
   60    HH   TYR   7           HH       TYR   7  -5.317   7.217  22.875
   61    H    LYS   8           H        LYS   8  -3.953  11.680  19.139
   62    HA   LYS   8           HA       LYS   8  -3.272  13.053  20.820
   63    HB2  LYS   8           HB2      LYS   8  -0.512  11.877  20.501
   64    HB3  LYS   8           HB3      LYS   8  -1.217  12.601  21.940
   65    HG2  LYS   8           HG2      LYS   8  -2.965  10.592  21.500
   66    HG3  LYS   8           HG3      LYS   8  -1.478   9.878  20.869
   67    HD2  LYS   8           HD2      LYS   8  -1.451  11.252  23.523
   68    HD3  LYS   8           HD3      LYS   8  -2.095   9.612  23.395
   69    HE2  LYS   8           HE2      LYS   8   0.090   9.122  23.822
   70    HE3  LYS   8           HE3      LYS   8   0.161   9.227  22.064
   71    HZ1  LYS   8           HZ1      LYS   8   0.666  11.615  23.715
   72    HZ2  LYS   8           HZ2      LYS   8   1.191  11.276  22.144
   73    HZ3  LYS   8           HZ3      LYS   8   1.897  10.483  23.461
   74    H    GLN   9           H        GLN   9  -3.528  14.421  18.651
   75    HA   GLN   9           HA       GLN   9  -2.849  16.197  17.391
   76    HB2  GLN   9           HB2      GLN   9  -0.968  16.822  19.657
   77    HB3  GLN   9           HB3      GLN   9  -1.792  17.947  18.585
   78    HG2  GLN   9           HG2      GLN   9  -3.952  17.175  19.597
   79    HG3  GLN   9           HG3      GLN   9  -2.994  16.293  20.785
   80   HE21  GLN   9          HE21      GLN   9  -1.222  17.729  21.795
   81   HE22  GLN   9          HE22      GLN   9  -1.751  19.283  22.334
   82    H    ARG  10           H        ARG  10  -1.424  13.745  16.934
   83    HA   ARG  10           HA       ARG  10   1.052  14.875  15.836
   84    HB2  ARG  10           HB2      ARG  10   0.849  12.184  17.199
   85    HB3  ARG  10           HB3      ARG  10   2.281  12.837  16.413
   86    HG2  ARG  10           HG2      ARG  10   1.451  14.760  18.289
   87    HG3  ARG  10           HG3      ARG  10   1.374  13.192  19.095
   88    HD2  ARG  10           HD2      ARG  10   3.721  12.842  18.003
   89    HD3  ARG  10           HD3      ARG  10   3.720  14.602  17.900
   90    HE   ARG  10           HE       ARG  10   3.028  14.003  20.496
   91   HH11  ARG  10          HH11      ARG  10   5.733  13.387  18.393
   92   HH12  ARG  10          HH12      ARG  10   6.892  13.345  19.681
   93   HH21  ARG  10          HH21      ARG  10   4.544  13.950  22.200
   94   HH22  ARG  10          HH22      ARG  10   6.213  13.665  21.845
   95    H    CYS  11           H        CYS  11   1.938  13.608  14.040
   96    HA   CYS  11           HA       CYS  11   0.080  11.761  12.755
   97    HB2  CYS  11           HB2      CYS  11   0.926  14.417  11.622
   98    HB3  CYS  11           HB3      CYS  11   0.462  13.084  10.571
   99    H    VAL  12           H        VAL  12   1.118  10.126  11.802
  100    HA   VAL  12           HA       VAL  12   3.891  10.501  10.926
  101    HB   VAL  12           HB       VAL  12   4.350   8.158  11.887
  102   HG11  VAL  12          HG11      VAL  12   5.064   9.093  14.021
  103   HG12  VAL  12          HG12      VAL  12   5.397  10.216  12.702
  104   HG13  VAL  12          HG13      VAL  12   4.020  10.492  13.769
  105   HG21  VAL  12          HG21      VAL  12   3.075   7.539  13.852
  106   HG22  VAL  12          HG22      VAL  12   2.040   8.954  13.658
  107   HG23  VAL  12          HG23      VAL  12   2.004   7.663  12.457
  108    H    THR  13           H        THR  13   4.599   9.014   9.338
  109    HA   THR  13           HA       THR  13   2.412   7.915   7.755
  110    HB   THR  13           HB       THR  13   5.344   8.236   7.088
  111    HG1  THR  13           HG1      THR  13   4.372  10.232   7.105
  112   HG21  THR  13          HG21      THR  13   4.452   6.393   5.825
  113   HG22  THR  13          HG22      THR  13   4.583   7.786   4.754
  114   HG23  THR  13          HG23      THR  13   3.013   7.319   5.405
  115    H    TYR  14           H        TYR  14   2.023   5.799   7.489
  116    HA   TYR  14           HA       TYR  14   3.986   3.891   8.579
  117    HB2  TYR  14           HB2      TYR  14   1.064   4.141   9.031
  118    HB3  TYR  14           HB3      TYR  14   1.696   2.508   8.847
  119    HD1  TYR  14           HD1      TYR  14   2.577   5.658  10.668
  120    HD2  TYR  14           HD2      TYR  14   2.303   1.413  10.779
  121    HE1  TYR  14           HE1      TYR  14   3.295   5.679  13.020
  122    HE2  TYR  14           HE2      TYR  14   3.019   1.422  13.131
  123    HH   TYR  14           HH       TYR  14   2.967   4.050  15.060
  124    H    CYS  15           H        CYS  15   4.146   1.863   7.546
  125    HA   CYS  15           HA       CYS  15   2.789   1.602   4.960
  126    HB2  CYS  15           HB2      CYS  15   5.772   1.297   5.370
  127    HB3  CYS  15           HB3      CYS  15   4.905   0.948   3.878
  128    H    ARG  16           H        ARG  16   2.373  -0.484   4.318
  129    HA   ARG  16           HA       ARG  16   2.023  -2.447   6.229
  130    HB2  ARG  16           HB2      ARG  16   1.912  -4.034   4.234
  131    HB3  ARG  16           HB3      ARG  16   0.803  -2.668   4.225
  132    HG2  ARG  16           HG2      ARG  16   1.849  -1.648   2.478
  133    HG3  ARG  16           HG3      ARG  16   3.423  -2.342   2.872
  134    HD2  ARG  16           HD2      ARG  16   1.089  -3.864   1.718
  135    HD3  ARG  16           HD3      ARG  16   2.464  -3.262   0.793
  136    HE   ARG  16           HE       ARG  16   3.519  -4.813   2.817
  137   HH11  ARG  16          HH11      ARG  16   1.361  -5.265   0.123
  138   HH12  ARG  16          HH12      ARG  16   1.796  -6.924  -0.116
  139   HH21  ARG  16          HH21      ARG  16   4.101  -6.997   2.513
  140   HH22  ARG  16          HH22      ARG  16   3.354  -7.909   1.244
  141    H    GLY  17           H        GLY  17   4.800  -1.829   4.160
  142    HA2  GLY  17           HA2      GLY  17   6.166  -4.249   4.924
  143    HA3  GLY  17           HA3      GLY  17   6.833  -2.926   3.980
  144    H    ARG  18           H        ARG  18   5.605  -3.367   7.302
  145    HA   ARG  18           HA       ARG  18   8.168  -2.388   8.318
  146    HB2  ARG  18           HB2      ARG  18   5.471  -1.176   8.878
  147    HB3  ARG  18           HB3      ARG  18   6.810  -1.000  10.004
  148    HG2  ARG  18           HG2      ARG  18   8.140  -0.036   8.096
  149    HG3  ARG  18           HG3      ARG  18   6.632   0.002   7.178
  150    HD2  ARG  18           HD2      ARG  18   5.624   1.415   8.908
  151    HD3  ARG  18           HD3      ARG  18   7.136   1.380   9.813
  152    HE   ARG  18           HE       ARG  18   7.557   2.326   7.173
  153   HH11  ARG  18          HH11      ARG  18   6.294   3.272  10.276
  154   HH12  ARG  18          HH12      ARG  18   6.611   4.958  10.037
  155   HH21  ARG  18          HH21      ARG  18   7.979   4.544   6.846
  156   HH22  ARG  18          HH22      ARG  18   7.569   5.681   8.085
  157    HN1  NH2  19           H1       NH2  19   8.766  -3.229  10.281
  158    HN2  NH2  19           H2       NH2  19   7.902  -4.414  11.156
  Start of MODEL    8
    1    H    PCA   1           H        PCA   1   1.795   0.194  -0.594
    2    HA   PCA   1           HA       PCA   1   0.619   2.104  -0.471
    3    HB2  PCA   1           HB2      PCA   1  -1.843   1.504   0.686
    4    HB3  PCA   1           HB3      PCA   1  -1.510   1.094  -1.005
    5    HG2  PCA   1           HG2      PCA   1  -1.183  -0.698   1.461
    6    HG3  PCA   1           HG3      PCA   1  -1.925  -1.107  -0.103
    7    H    CYS   2           H        CYS   2   0.893   3.559   0.952
    8    HA   CYS   2           HA       CYS   2   1.366   2.779   3.751
    9    HB2  CYS   2           HB2      CYS   2   2.473   5.118   2.184
   10    HB3  CYS   2           HB3      CYS   2   2.801   4.793   3.883
   11    H    ARG   3           H        ARG   3   0.247   3.727   5.359
   12    HA   ARG   3           HA       ARG   3  -1.570   5.932   4.637
   13    HB2  ARG   3           HB2      ARG   3  -3.189   5.016   6.245
   14    HB3  ARG   3           HB3      ARG   3  -2.831   3.871   4.960
   15    HG2  ARG   3           HG2      ARG   3  -1.769   2.417   6.358
   16    HG3  ARG   3           HG3      ARG   3  -1.258   3.689   7.470
   17    HD2  ARG   3           HD2      ARG   3  -2.888   2.794   8.760
   18    HD3  ARG   3           HD3      ARG   3  -3.905   3.868   7.800
   19    HE   ARG   3           HE       ARG   3  -3.572   1.244   6.665
   20   HH11  ARG   3          HH11      ARG   3  -5.427   3.214   8.855
   21   HH12  ARG   3          HH12      ARG   3  -6.840   2.215   8.764
   22   HH21  ARG   3          HH21      ARG   3  -5.425  -0.080   6.538
   23   HH22  ARG   3          HH22      ARG   3  -6.837   0.340   7.446
   24    H    ARG   4           H        ARG   4  -1.892   7.558   6.155
   25    HA   ARG   4           HA       ARG   4   0.228   7.777   8.149
   26    HB2  ARG   4           HB2      ARG   4  -0.543   9.590   6.386
   27    HB3  ARG   4           HB3      ARG   4  -1.732   9.968   7.625
   28    HG2  ARG   4           HG2      ARG   4   0.198  10.185   9.237
   29    HG3  ARG   4           HG3      ARG   4   1.259  10.109   7.830
   30    HD2  ARG   4           HD2      ARG   4  -0.988  12.092   8.086
   31    HD3  ARG   4           HD3      ARG   4   0.651  12.424   8.646
   32    HE   ARG   4           HE       ARG   4   1.023  11.658   6.081
   33   HH11  ARG   4          HH11      ARG   4  -1.050  14.012   7.594
   34   HH12  ARG   4          HH12      ARG   4  -1.056  15.077   6.227
   35   HH21  ARG   4          HH21      ARG   4   1.022  13.053   4.276
   36   HH22  ARG   4          HH22      ARG   4   0.122  14.530   4.340
   37    H    LEU   5           H        LEU   5  -0.103   7.613  10.276
   38    HA   LEU   5           HA       LEU   5  -2.886   7.446  11.224
   39    HB2  LEU   5           HB2      LEU   5  -0.433   6.255  12.504
   40    HB3  LEU   5           HB3      LEU   5  -2.109   6.005  12.988
   41    HG   LEU   5           HG       LEU   5  -0.775   4.994  10.479
   42   HD11  LEU   5          HD11      LEU   5  -1.492   2.789  11.511
   43   HD12  LEU   5          HD12      LEU   5  -1.757   3.691  13.002
   44   HD13  LEU   5          HD13      LEU   5  -0.146   3.626  12.285
   45   HD21  LEU   5          HD21      LEU   5  -2.784   4.926   9.540
   46   HD22  LEU   5          HD22      LEU   5  -3.537   5.564  11.001
   47   HD23  LEU   5          HD23      LEU   5  -3.304   3.825  10.816
   48    H    CYS   6           H        CYS   6  -3.475   9.284  12.168
   49    HA   CYS   6           HA       CYS   6  -1.493  10.827  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.274  11.577  12.750
   51    HB3  CYS   6           HB3      CYS   6  -3.168  12.645  13.608
   52    H    TYR   7           H        TYR   7  -1.524  10.946  15.831
   53    HA   TYR   7           HA       TYR   7  -3.951  10.494  17.335
   54    HB2  TYR   7           HB2      TYR   7  -3.177   8.199  16.992
   55    HB3  TYR   7           HB3      TYR   7  -1.591   8.624  17.626
   56    HD1  TYR   7           HD1      TYR   7  -1.430   7.244  19.519
   57    HD2  TYR   7           HD2      TYR   7  -4.905   9.637  18.964
   58    HE1  TYR   7           HE1      TYR   7  -2.183   6.667  21.789
   59    HE2  TYR   7           HE2      TYR   7  -5.666   9.068  21.233
   60    HH   TYR   7           HH       TYR   7  -5.035   6.799  22.870
   61    H    LYS   8           H        LYS   8  -3.959  11.690  19.135
   62    HA   LYS   8           HA       LYS   8  -3.278  13.065  20.815
   63    HB2  LYS   8           HB2      LYS   8  -0.520  11.886  20.502
   64    HB3  LYS   8           HB3      LYS   8  -1.226  12.613  21.940
   65    HG2  LYS   8           HG2      LYS   8  -2.974  10.606  21.503
   66    HG3  LYS   8           HG3      LYS   8  -1.490   9.889  20.870
   67    HD2  LYS   8           HD2      LYS   8  -1.399   9.279  23.097
   68    HD3  LYS   8           HD3      LYS   8  -0.447  10.765  23.093
   69    HE2  LYS   8           HE2      LYS   8  -2.197  12.016  24.033
   70    HE3  LYS   8           HE3      LYS   8  -3.395  10.777  23.664
   71    HZ1  LYS   8           HZ1      LYS   8  -1.624   9.483  25.258
   72    HZ2  LYS   8           HZ2      LYS   8  -3.100  10.139  25.763
   73    HZ3  LYS   8           HZ3      LYS   8  -1.672  11.029  25.945
   74    H    GLN   9           H        GLN   9  -3.531  14.430  18.644
   75    HA   GLN   9           HA       GLN   9  -2.848  16.203  17.382
   76    HB2  GLN   9           HB2      GLN   9  -0.969  16.831  19.649
   77    HB3  GLN   9           HB3      GLN   9  -1.790  17.953  18.575
   78    HG2  GLN   9           HG2      GLN   9  -3.948  16.938  19.624
   79    HG3  GLN   9           HG3      GLN   9  -2.853  16.453  20.918
   80   HE21  GLN   9          HE21      GLN   9  -2.066  17.964  22.303
   81   HE22  GLN   9          HE22      GLN   9  -2.553  19.622  22.294
   82    H    ARG  10           H        ARG  10  -1.426  13.749  16.930
   83    HA   ARG  10           HA       ARG  10   1.054  14.874  15.834
   84    HB2  ARG  10           HB2      ARG  10   0.844  12.184  17.199
   85    HB3  ARG  10           HB3      ARG  10   2.278  12.834  16.414
   86    HG2  ARG  10           HG2      ARG  10   1.423  14.750  18.301
   87    HG3  ARG  10           HG3      ARG  10   1.395  13.175  19.096
   88    HD2  ARG  10           HD2      ARG  10   3.736  12.893  17.972
   89    HD3  ARG  10           HD3      ARG  10   3.690  14.653  17.885
   90    HE   ARG  10           HE       ARG  10   3.051  14.052  20.480
   91   HH11  ARG  10          HH11      ARG  10   5.723  13.380  18.353
   92   HH12  ARG  10          HH12      ARG  10   6.894  13.320  19.628
   93   HH21  ARG  10          HH21      ARG  10   4.582  13.976  22.169
   94   HH22  ARG  10          HH22      ARG  10   6.244  13.659  21.799
   95    H    CYS  11           H        CYS  11   1.941  13.605  14.041
   96    HA   CYS  11           HA       CYS  11   0.082  11.760  12.754
   97    HB2  CYS  11           HB2      CYS  11   0.936  14.413  11.619
   98    HB3  CYS  11           HB3      CYS  11   0.464  13.080  10.569
   99    H    VAL  12           H        VAL  12   1.119  10.125  11.801
  100    HA   VAL  12           HA       VAL  12   3.894  10.495  10.931
  101    HB   VAL  12           HB       VAL  12   4.347   8.149  11.890
  102   HG11  VAL  12          HG11      VAL  12   5.405  10.190  12.713
  103   HG12  VAL  12          HG12      VAL  12   4.019  10.491  13.763
  104   HG13  VAL  12          HG13      VAL  12   5.045   9.082  14.036
  105   HG21  VAL  12          HG21      VAL  12   3.066   7.553  13.871
  106   HG22  VAL  12          HG22      VAL  12   2.015   8.949  13.630
  107   HG23  VAL  12          HG23      VAL  12   2.017   7.633  12.455
  108    H    THR  13           H        THR  13   4.602   9.010   9.342
  109    HA   THR  13           HA       THR  13   2.416   7.916   7.754
  110    HB   THR  13           HB       THR  13   5.349   8.240   7.090
  111    HG1  THR  13           HG1      THR  13   4.202  10.217   7.209
  112   HG21  THR  13          HG21      THR  13   4.580   6.444   5.766
  113   HG22  THR  13          HG22      THR  13   4.470   7.864   4.725
  114   HG23  THR  13          HG23      THR  13   3.019   7.213   5.487
  115    H    TYR  14           H        TYR  14   2.028   5.800   7.484
  116    HA   TYR  14           HA       TYR  14   3.997   3.890   8.561
  117    HB2  TYR  14           HB2      TYR  14   1.081   4.145   9.041
  118    HB3  TYR  14           HB3      TYR  14   1.704   2.511   8.846
  119    HD1  TYR  14           HD1      TYR  14   2.407   5.654  10.735
  120    HD2  TYR  14           HD2      TYR  14   2.533   1.402  10.701
  121    HE1  TYR  14           HE1      TYR  14   3.149   5.663  13.080
  122    HE2  TYR  14           HE2      TYR  14   3.274   1.398  13.046
  123    HH   TYR  14           HH       TYR  14   3.612   2.642  14.871
  124    H    CYS  15           H        CYS  15   4.116   1.845   7.538
  125    HA   CYS  15           HA       CYS  15   2.757   1.607   4.950
  126    HB2  CYS  15           HB2      CYS  15   5.734   1.258   5.365
  127    HB3  CYS  15           HB3      CYS  15   4.865   0.913   3.872
  128    H    ARG  16           H        ARG  16   2.427  -0.501   4.233
  129    HA   ARG  16           HA       ARG  16   1.935  -2.453   6.121
  130    HB2  ARG  16           HB2      ARG  16   1.998  -4.053   4.127
  131    HB3  ARG  16           HB3      ARG  16   0.875  -2.704   4.037
  132    HG2  ARG  16           HG2      ARG  16   2.014  -1.683   2.357
  133    HG3  ARG  16           HG3      ARG  16   3.575  -2.314   2.883
  134    HD2  ARG  16           HD2      ARG  16   2.700  -3.252   0.718
  135    HD3  ARG  16           HD3      ARG  16   3.131  -4.444   1.944
  136    HE   ARG  16           HE       ARG  16   0.388  -3.788   2.134
  137   HH11  ARG  16          HH11      ARG  16   2.648  -5.551   0.158
  138   HH12  ARG  16          HH12      ARG  16   1.468  -6.686  -0.407
  139   HH21  ARG  16          HH21      ARG  16  -1.175  -5.278   1.397
  140   HH22  ARG  16          HH22      ARG  16  -0.706  -6.530   0.298
  141    H    GLY  17           H        GLY  17   4.867  -1.848   4.270
  142    HA2  GLY  17           HA2      GLY  17   6.265  -4.197   4.724
  143    HA3  GLY  17           HA3      GLY  17   7.011  -2.616   4.553
  144    H    ARG  18           H        ARG  18   5.714  -1.499   6.903
  145    HA   ARG  18           HA       ARG  18   7.655  -2.098   8.828
  146    HB2  ARG  18           HB2      ARG  18   6.408   0.015   8.791
  147    HB3  ARG  18           HB3      ARG  18   4.932  -0.841   9.215
  148    HG2  ARG  18           HG2      ARG  18   5.468  -0.213  11.299
  149    HG3  ARG  18           HG3      ARG  18   6.541  -1.612  11.239
  150    HD2  ARG  18           HD2      ARG  18   8.218   0.112  10.196
  151    HD3  ARG  18           HD3      ARG  18   7.183   1.291  10.999
  152    HE   ARG  18           HE       ARG  18   8.145   0.687  12.970
  153   HH11  ARG  18          HH11      ARG  18   8.550  -1.923  10.703
  154   HH12  ARG  18          HH12      ARG  18   9.517  -2.880  11.777
  155   HH21  ARG  18          HH21      ARG  18   9.417  -0.562  14.393
  156   HH22  ARG  18          HH22      ARG  18  10.008  -2.105  13.876
  157    HN1  NH2  19           H1       NH2  19   4.271  -3.150   8.571
  158    HN2  NH2  19           H2       NH2  19   4.348  -4.451   9.673
  Start of MODEL    9
    1    H    PCA   1           H        PCA   1   1.686   0.003  -0.493
    2    HA   PCA   1           HA       PCA   1   0.693   2.018  -0.451
    3    HB2  PCA   1           HB2      PCA   1  -1.844   1.681   0.650
    4    HB3  PCA   1           HB3      PCA   1  -1.507   1.195  -1.019
    5    HG2  PCA   1           HG2      PCA   1  -1.414  -0.550   1.500
    6    HG3  PCA   1           HG3      PCA   1  -2.151  -0.932  -0.073
    7    H    CYS   2           H        CYS   2   0.907   3.524   0.963
    8    HA   CYS   2           HA       CYS   2   1.362   2.764   3.770
    9    HB2  CYS   2           HB2      CYS   2   2.484   5.088   2.188
   10    HB3  CYS   2           HB3      CYS   2   2.809   4.771   3.890
   11    H    ARG   3           H        ARG   3   0.240   3.724   5.367
   12    HA   ARG   3           HA       ARG   3  -1.557   5.941   4.630
   13    HB2  ARG   3           HB2      ARG   3  -3.096   4.997   6.417
   14    HB3  ARG   3           HB3      ARG   3  -2.967   4.066   4.930
   15    HG2  ARG   3           HG2      ARG   3  -1.866   2.341   5.940
   16    HG3  ARG   3           HG3      ARG   3  -1.162   3.374   7.186
   17    HD2  ARG   3           HD2      ARG   3  -3.433   3.611   8.178
   18    HD3  ARG   3           HD3      ARG   3  -4.020   2.435   7.003
   19    HE   ARG   3           HE       ARG   3  -2.468   1.902   9.368
   20   HH11  ARG   3          HH11      ARG   3  -3.423   0.741   6.228
   21   HH12  ARG   3          HH12      ARG   3  -3.127  -0.923   6.609
   22   HH21  ARG   3          HH21      ARG   3  -2.074  -0.286   9.882
   23   HH22  ARG   3          HH22      ARG   3  -2.361  -1.506   8.689
   24    H    ARG   4           H        ARG   4  -1.874   7.572   6.142
   25    HA   ARG   4           HA       ARG   4   0.238   7.782   8.143
   26    HB2  ARG   4           HB2      ARG   4  -0.536   9.600   6.384
   27    HB3  ARG   4           HB3      ARG   4  -1.723   9.975   7.626
   28    HG2  ARG   4           HG2      ARG   4   0.206  10.192   9.235
   29    HG3  ARG   4           HG3      ARG   4   1.271  10.108   7.830
   30    HD2  ARG   4           HD2      ARG   4  -0.973  12.098   8.054
   31    HD3  ARG   4           HD3      ARG   4   0.651  12.427   8.655
   32    HE   ARG   4           HE       ARG   4   1.091  11.666   6.102
   33   HH11  ARG   4          HH11      ARG   4  -1.033  14.011   7.557
   34   HH12  ARG   4          HH12      ARG   4  -1.008  15.074   6.189
   35   HH21  ARG   4          HH21      ARG   4   1.131  13.059   4.296
   36   HH22  ARG   4          HH22      ARG   4   0.222  14.532   4.335
   37    H    LEU   5           H        LEU   5  -0.094   7.621  10.271
   38    HA   LEU   5           HA       LEU   5  -2.877   7.446  11.217
   39    HB2  LEU   5           HB2      LEU   5  -0.414   6.248  12.472
   40    HB3  LEU   5           HB3      LEU   5  -2.081   6.016  12.995
   41    HG   LEU   5           HG       LEU   5  -0.832   4.992  10.448
   42   HD11  LEU   5          HD11      LEU   5  -1.421   3.830  13.105
   43   HD12  LEU   5          HD12      LEU   5  -0.131   3.458  11.962
   44   HD13  LEU   5          HD13      LEU   5  -1.756   2.827  11.694
   45   HD21  LEU   5          HD21      LEU   5  -3.320   3.797  10.862
   46   HD22  LEU   5          HD22      LEU   5  -2.885   4.952   9.602
   47   HD23  LEU   5          HD23      LEU   5  -3.582   5.522  11.118
   48    H    CYS   6           H        CYS   6  -3.469   9.282  12.163
   49    HA   CYS   6           HA       CYS   6  -1.490  10.827  13.675
   50    HB2  CYS   6           HB2      CYS   6  -4.272  11.573  12.749
   51    HB3  CYS   6           HB3      CYS   6  -3.168  12.641  13.608
   52    H    TYR   7           H        TYR   7  -1.521  10.940  15.829
   53    HA   TYR   7           HA       TYR   7  -3.947  10.483  17.332
   54    HB2  TYR   7           HB2      TYR   7  -3.166   8.190  16.981
   55    HB3  TYR   7           HB3      TYR   7  -1.585   8.615  17.626
   56    HD1  TYR   7           HD1      TYR   7  -1.434   7.229  19.515
   57    HD2  TYR   7           HD2      TYR   7  -4.907   9.619  18.950
   58    HE1  TYR   7           HE1      TYR   7  -2.196   6.644  21.778
   59    HE2  TYR   7           HE2      TYR   7  -5.679   9.042  21.213
   60    HH   TYR   7           HH       TYR   7  -5.294   7.840  23.039
   61    H    LYS   8           H        LYS   8  -3.954  11.673  19.137
   62    HA   LYS   8           HA       LYS   8  -3.275  13.045  20.820
   63    HB2  LYS   8           HB2      LYS   8  -0.516  11.869  20.502
   64    HB3  LYS   8           HB3      LYS   8  -1.220  12.594  21.941
   65    HG2  LYS   8           HG2      LYS   8  -2.969  10.591  21.517
   66    HG3  LYS   8           HG3      LYS   8  -1.496   9.872  20.862
   67    HD2  LYS   8           HD2      LYS   8  -1.357   9.251  23.076
   68    HD3  LYS   8           HD3      LYS   8  -0.430  10.753  23.082
   69    HE2  LYS   8           HE2      LYS   8  -2.733  11.843  23.630
   70    HE3  LYS   8           HE3      LYS   8  -3.180  10.211  24.125
   71    HZ1  LYS   8           HZ1      LYS   8  -1.053  11.938  25.244
   72    HZ2  LYS   8           HZ2      LYS   8  -1.105  10.274  25.539
   73    HZ3  LYS   8           HZ3      LYS   8  -2.381  11.262  26.044
   74    H    GLN   9           H        GLN   9  -3.530  14.416  18.651
   75    HA   GLN   9           HA       GLN   9  -2.850  16.193  17.393
   76    HB2  GLN   9           HB2      GLN   9  -0.968  16.816  19.659
   77    HB3  GLN   9           HB3      GLN   9  -1.794  17.941  18.589
   78    HG2  GLN   9           HG2      GLN   9  -3.143  16.195  20.636
   79    HG3  GLN   9           HG3      GLN   9  -2.743  17.899  20.853
   80   HE21  GLN   9          HE21      GLN   9  -3.998  19.445  19.913
   81   HE22  GLN   9          HE22      GLN   9  -5.477  19.103  19.088
   82    H    ARG  10           H        ARG  10  -1.426  13.741  16.934
   83    HA   ARG  10           HA       ARG  10   1.052  14.870  15.840
   84    HB2  ARG  10           HB2      ARG  10   0.845  12.175  17.195
   85    HB3  ARG  10           HB3      ARG  10   2.279  12.829  16.413
   86    HG2  ARG  10           HG2      ARG  10   1.455  14.750  18.291
   87    HG3  ARG  10           HG3      ARG  10   1.362  13.181  19.095
   88    HD2  ARG  10           HD2      ARG  10   3.706  12.795  18.053
   89    HD3  ARG  10           HD3      ARG  10   3.729  14.549  17.879
   90    HE   ARG  10           HE       ARG  10   3.016  14.068  20.493
   91   HH11  ARG  10          HH11      ARG  10   5.721  13.320  18.433
   92   HH12  ARG  10          HH12      ARG  10   6.872  13.311  19.728
   93   HH21  ARG  10          HH21      ARG  10   4.522  14.061  22.206
   94   HH22  ARG  10          HH22      ARG  10   6.189  13.732  21.874
   95    H    CYS  11           H        CYS  11   1.939  13.606  14.042
   96    HA   CYS  11           HA       CYS  11   0.080  11.765  12.751
   97    HB2  CYS  11           HB2      CYS  11   0.936  14.420  11.619
   98    HB3  CYS  11           HB3      CYS  11   0.454  13.090  10.571
   99    H    VAL  12           H        VAL  12   1.119  10.130  11.801
  100    HA   VAL  12           HA       VAL  12   3.891  10.506  10.920
  101    HB   VAL  12           HB       VAL  12   4.355   8.165  11.884
  102   HG11  VAL  12          HG11      VAL  12   5.094   9.099  13.998
  103   HG12  VAL  12          HG12      VAL  12   5.381  10.250  12.691
  104   HG13  VAL  12          HG13      VAL  12   4.018  10.480  13.788
  105   HG21  VAL  12          HG21      VAL  12   2.037   8.962  13.643
  106   HG22  VAL  12          HG22      VAL  12   2.019   7.655  12.459
  107   HG23  VAL  12          HG23      VAL  12   3.082   7.558  13.863
  108    H    THR  13           H        THR  13   4.597   9.018   9.334
  109    HA   THR  13           HA       THR  13   2.409   7.917   7.755
  110    HB   THR  13           HB       THR  13   5.340   8.234   7.085
  111    HG1  THR  13           HG1      THR  13   4.760  10.169   6.476
  112   HG21  THR  13          HG21      THR  13   3.009   7.328   5.395
  113   HG22  THR  13          HG22      THR  13   4.435   6.385   5.832
  114   HG23  THR  13          HG23      THR  13   4.591   7.773   4.756
  115    H    TYR  14           H        TYR  14   2.015   5.800   7.497
  116    HA   TYR  14           HA       TYR  14   3.980   3.893   8.587
  117    HB2  TYR  14           HB2      TYR  14   1.058   4.146   9.041
  118    HB3  TYR  14           HB3      TYR  14   1.689   2.512   8.862
  119    HD1  TYR  14           HD1      TYR  14   2.622   5.663  10.656
  120    HD2  TYR  14           HD2      TYR  14   2.241   1.428  10.814
  121    HE1  TYR  14           HE1      TYR  14   3.343   5.691  13.008
  122    HE2  TYR  14           HE2      TYR  14   2.959   1.445  13.166
  123    HH   TYR  14           HH       TYR  14   4.407   4.089  14.626
  124    H    CYS  15           H        CYS  15   4.142   1.867   7.556
  125    HA   CYS  15           HA       CYS  15   2.785   1.607   4.967
  126    HB2  CYS  15           HB2      CYS  15   5.764   1.290   5.397
  127    HB3  CYS  15           HB3      CYS  15   4.908   0.923   3.904
  128    H    ARG  16           H        ARG  16   2.421  -0.493   4.285
  129    HA   ARG  16           HA       ARG  16   1.988  -2.446   6.187
  130    HB2  ARG  16           HB2      ARG  16   1.976  -4.044   4.195
  131    HB3  ARG  16           HB3      ARG  16   0.861  -2.686   4.134
  132    HG2  ARG  16           HG2      ARG  16   1.969  -1.670   2.426
  133    HG3  ARG  16           HG3      ARG  16   3.534  -2.337   2.898
  134    HD2  ARG  16           HD2      ARG  16   1.330  -4.059   1.806
  135    HD3  ARG  16           HD3      ARG  16   2.470  -3.224   0.752
  136    HE   ARG  16           HE       ARG  16   3.777  -4.759   2.777
  137   HH11  ARG  16          HH11      ARG  16   2.235  -4.933  -0.340
  138   HH12  ARG  16          HH12      ARG  16   3.101  -6.350  -0.835
  139   HH21  ARG  16          HH21      ARG  16   4.924  -6.625   2.136
  140   HH22  ARG  16          HH22      ARG  16   4.630  -7.312   0.575
  141    H    GLY  17           H        GLY  17   4.856  -1.837   4.242
  142    HA2  GLY  17           HA2      GLY  17   6.178  -4.223   5.273
  143    HA3  GLY  17           HA3      GLY  17   6.831  -3.098   4.092
  144    H    ARG  18           H        ARG  18   5.555  -2.579   7.372
  145    HA   ARG  18           HA       ARG  18   7.742  -0.831   8.007
  146    HB2  ARG  18           HB2      ARG  18   5.525  -0.374   8.897
  147    HB3  ARG  18           HB3      ARG  18   5.506  -1.930   9.718
  148    HG2  ARG  18           HG2      ARG  18   5.992  -0.327  11.367
  149    HG3  ARG  18           HG3      ARG  18   7.521  -1.133  11.011
  150    HD2  ARG  18           HD2      ARG  18   8.064   0.741   9.459
  151    HD3  ARG  18           HD3      ARG  18   6.604   1.560  10.012
  152    HE   ARG  18           HE       ARG  18   8.085   0.936  12.272
  153   HH11  ARG  18          HH11      ARG  18   8.435   2.888   9.411
  154   HH12  ARG  18          HH12      ARG  18   9.461   4.056  10.175
  155   HH21  ARG  18          HH21      ARG  18   9.435   2.468  13.289
  156   HH22  ARG  18          HH22      ARG  18  10.030   3.815  12.381
  157    HN1  NH2  19           H1       NH2  19   9.561  -2.211   7.792
  158    HN2  NH2  19           H2       NH2  19  10.003  -3.361   8.973
  Start of MODEL   10
    1    H    PCA   1           H        PCA   1   1.644  -0.009  -0.510
    2    HA   PCA   1           HA       PCA   1   0.718   2.037  -0.476
    3    HB2  PCA   1           HB2      PCA   1  -1.837   1.787   0.604
    4    HB3  PCA   1           HB3      PCA   1  -1.502   1.289  -1.063
    5    HG2  PCA   1           HG2      PCA   1  -1.489  -0.457   1.456
    6    HG3  PCA   1           HG3      PCA   1  -2.225  -0.814  -0.123
    7    H    CYS   2           H        CYS   2   0.899   3.556   0.949
    8    HA   CYS   2           HA       CYS   2   1.359   2.776   3.749
    9    HB2  CYS   2           HB2      CYS   2   2.475   5.110   2.181
   10    HB3  CYS   2           HB3      CYS   2   2.797   4.790   3.882
   11    H    ARG   3           H        ARG   3   0.243   3.726   5.357
   12    HA   ARG   3           HA       ARG   3  -1.569   5.937   4.636
   13    HB2  ARG   3           HB2      ARG   3  -3.133   5.002   6.360
   14    HB3  ARG   3           HB3      ARG   3  -2.919   3.986   4.941
   15    HG2  ARG   3           HG2      ARG   3  -1.592   2.443   6.113
   16    HG3  ARG   3           HG3      ARG   3  -1.349   3.555   7.461
   17    HD2  ARG   3           HD2      ARG   3  -3.643   3.349   8.125
   18    HD3  ARG   3           HD3      ARG   3  -4.027   2.418   6.677
   19    HE   ARG   3           HE       ARG   3  -2.007   1.119   8.166
   20   HH11  ARG   3          HH11      ARG   3  -5.420   1.799   8.207
   21   HH12  ARG   3          HH12      ARG   3  -5.823   0.385   9.124
   22   HH21  ARG   3          HH21      ARG   3  -2.524  -0.745   9.373
   23   HH22  ARG   3          HH22      ARG   3  -4.175  -1.061   9.787
   24    H    ARG   4           H        ARG   4  -1.887   7.563   6.155
   25    HA   ARG   4           HA       ARG   4   0.232   7.774   8.151
   26    HB2  ARG   4           HB2      ARG   4  -0.531   9.592   6.392
   27    HB3  ARG   4           HB3      ARG   4  -1.726   9.967   7.626
   28    HG2  ARG   4           HG2      ARG   4   0.197  10.181   9.247
   29    HG3  ARG   4           HG3      ARG   4   1.265  10.107   7.843
   30    HD2  ARG   4           HD2      ARG   4  -0.979  12.095   8.114
   31    HD3  ARG   4           HD3      ARG   4   0.669  12.421   8.649
   32    HE   ARG   4           HE       ARG   4   1.025  11.668   6.091
   33   HH11  ARG   4          HH11      ARG   4  -1.113  13.970   7.590
   34   HH12  ARG   4          HH12      ARG   4  -1.160  15.020   6.212
   35   HH21  ARG   4          HH21      ARG   4   0.972  13.042   4.271
   36   HH22  ARG   4          HH22      ARG   4   0.026  14.491   4.325
   37    H    LEU   5           H        LEU   5  -0.100   7.617  10.278
   38    HA   LEU   5           HA       LEU   5  -2.884   7.447  11.225
   39    HB2  LEU   5           HB2      LEU   5  -0.430   6.255  12.501
   40    HB3  LEU   5           HB3      LEU   5  -2.105   6.008  12.993
   41    HG   LEU   5           HG       LEU   5  -0.801   5.005  10.464
   42   HD11  LEU   5          HD11      LEU   5  -0.978   2.848  11.394
   43   HD12  LEU   5          HD12      LEU   5  -1.995   3.415  12.717
   44   HD13  LEU   5          HD13      LEU   5  -0.290   3.861  12.664
   45   HD21  LEU   5          HD21      LEU   5  -2.826   4.854   9.573
   46   HD22  LEU   5          HD22      LEU   5  -3.541   5.570  11.017
   47   HD23  LEU   5          HD23      LEU   5  -3.326   3.822  10.914
   48    H    CYS   6           H        CYS   6  -3.471   9.288  12.167
   49    HA   CYS   6           HA       CYS   6  -1.490  10.827  13.681
   50    HB2  CYS   6           HB2      CYS   6  -4.267  11.586  12.749
   51    HB3  CYS   6           HB3      CYS   6  -3.156  12.651  13.603
   52    H    TYR   7           H        TYR   7  -1.525  10.938  15.834
   53    HA   TYR   7           HA       TYR   7  -3.960  10.500  17.331
   54    HB2  TYR   7           HB2      TYR   7  -3.192   8.201  16.980
   55    HB3  TYR   7           HB3      TYR   7  -1.612   8.617  17.636
   56    HD1  TYR   7           HD1      TYR   7  -1.482   7.229  19.525
   57    HD2  TYR   7           HD2      TYR   7  -4.937   9.641  18.936
   58    HE1  TYR   7           HE1      TYR   7  -2.264   6.649  21.783
   59    HE2  TYR   7           HE2      TYR   7  -5.728   9.068  21.193
   60    HH   TYR   7           HH       TYR   7  -4.114   8.116  23.524
   61    H    LYS   8           H        LYS   8  -3.964  11.692  19.133
   62    HA   LYS   8           HA       LYS   8  -3.278  13.059  20.818
   63    HB2  LYS   8           HB2      LYS   8  -0.527  11.867  20.509
   64    HB3  LYS   8           HB3      LYS   8  -1.232  12.593  21.946
   65    HG2  LYS   8           HG2      LYS   8  -2.990  10.604  21.521
   66    HG3  LYS   8           HG3      LYS   8  -1.527   9.876  20.855
   67    HD2  LYS   8           HD2      LYS   8  -1.437   9.244  23.085
   68    HD3  LYS   8           HD3      LYS   8  -0.419  10.685  23.054
   69    HE2  LYS   8           HE2      LYS   8  -2.388  12.018  23.780
   70    HE3  LYS   8           HE3      LYS   8  -3.298  10.516  23.935
   71    HZ1  LYS   8           HZ1      LYS   8  -0.899  10.214  25.331
   72    HZ2  LYS   8           HZ2      LYS   8  -2.469  10.275  25.957
   73    HZ3  LYS   8           HZ3      LYS   8  -1.567  11.698  25.795
   74    H    GLN   9           H        GLN   9  -3.520  14.430  18.648
   75    HA   GLN   9           HA       GLN   9  -2.826  16.204  17.393
   76    HB2  GLN   9           HB2      GLN   9  -0.944  16.810  19.664
   77    HB3  GLN   9           HB3      GLN   9  -1.752  17.943  18.590
   78    HG2  GLN   9           HG2      GLN   9  -3.926  17.006  19.618
   79    HG3  GLN   9           HG3      GLN   9  -2.869  16.405  20.894
   80   HE21  GLN   9          HE21      GLN   9  -4.995  18.494  20.837
   81   HE22  GLN   9          HE22      GLN   9  -4.246  19.907  21.492
   82    H    ARG  10           H        ARG  10  -1.419  13.741  16.935
   83    HA   ARG  10           HA       ARG  10   1.072  14.852  15.849
   84    HB2  ARG  10           HB2      ARG  10   0.834  12.151  17.189
   85    HB3  ARG  10           HB3      ARG  10   2.275  12.795  16.415
   86    HG2  ARG  10           HG2      ARG  10   1.511  14.729  18.280
   87    HG3  ARG  10           HG3      ARG  10   1.313  13.175  19.094
   88    HD2  ARG  10           HD2      ARG  10   3.543  13.915  19.492
   89    HD3  ARG  10           HD3      ARG  10   3.622  12.582  18.341
   90    HE   ARG  10           HE       ARG  10   4.524  14.022  16.819
   91   HH11  ARG  10          HH11      ARG  10   2.904  15.873  19.283
   92   HH12  ARG  10          HH12      ARG  10   3.446  17.402  18.673
   93   HH21  ARG  10          HH21      ARG  10   5.243  16.029  16.008
   94   HH22  ARG  10          HH22      ARG  10   4.776  17.489  16.810
   95    H    CYS  11           H        CYS  11   1.951  13.586  14.047
   96    HA   CYS  11           HA       CYS  11   0.082  11.765  12.745
   97    HB2  CYS  11           HB2      CYS  11   0.962  14.414  11.607
   98    HB3  CYS  11           HB3      CYS  11   0.429  13.091  10.574
   99    H    VAL  12           H        VAL  12   1.129  10.119  11.832
  100    HA   VAL  12           HA       VAL  12   3.895  10.499  10.930
  101    HB   VAL  12           HB       VAL  12   4.355   8.153  11.887
  102   HG11  VAL  12          HG11      VAL  12   5.409  10.209  12.697
  103   HG12  VAL  12          HG12      VAL  12   4.038  10.488  13.771
  104   HG13  VAL  12          HG13      VAL  12   5.082   9.087  14.017
  105   HG21  VAL  12          HG21      VAL  12   2.086   8.951  13.706
  106   HG22  VAL  12          HG22      VAL  12   1.981   7.703  12.463
  107   HG23  VAL  12          HG23      VAL  12   3.084   7.502  13.825
  108    H    THR  13           H        THR  13   4.597   9.015   9.337
  109    HA   THR  13           HA       THR  13   2.403   7.914   7.763
  110    HB   THR  13           HB       THR  13   5.330   8.245   7.079
  111    HG1  THR  13           HG1      THR  13   3.212   9.645   5.860
  112   HG21  THR  13          HG21      THR  13   4.359   7.903   4.710
  113   HG22  THR  13          HG22      THR  13   2.998   7.149   5.541
  114   HG23  THR  13          HG23      THR  13   4.621   6.483   5.722
  115    H    TYR  14           H        TYR  14   2.023   5.797   7.488
  116    HA   TYR  14           HA       TYR  14   3.998   3.895   8.569
  117    HB2  TYR  14           HB2      TYR  14   1.076   4.131   9.027
  118    HB3  TYR  14           HB3      TYR  14   1.715   2.501   8.839
  119    HD1  TYR  14           HD1      TYR  14   2.545   5.652  10.678
  120    HD2  TYR  14           HD2      TYR  14   2.366   1.401  10.755
  121    HE1  TYR  14           HE1      TYR  14   3.269   5.669  13.029
  122    HE2  TYR  14           HE2      TYR  14   3.089   1.407  13.106
  123    HH   TYR  14           HH       TYR  14   2.866   3.405  15.093
  124    H    CYS  15           H        CYS  15   4.179   1.879   7.524
  125    HA   CYS  15           HA       CYS  15   2.813   1.616   4.942
  126    HB2  CYS  15           HB2      CYS  15   5.797   1.327   5.348
  127    HB3  CYS  15           HB3      CYS  15   4.932   0.972   3.856
  128    H    ARG  16           H        ARG  16   2.462  -0.483   4.256
  129    HA   ARG  16           HA       ARG  16   2.089  -2.452   6.162
  130    HB2  ARG  16           HB2      ARG  16   2.035  -4.035   4.159
  131    HB3  ARG  16           HB3      ARG  16   0.907  -2.686   4.140
  132    HG2  ARG  16           HG2      ARG  16   1.975  -1.633   2.421
  133    HG3  ARG  16           HG3      ARG  16   3.545  -2.326   2.827
  134    HD2  ARG  16           HD2      ARG  16   2.712  -4.531   2.044
  135    HD3  ARG  16           HD3      ARG  16   1.221  -3.741   1.528
  136    HE   ARG  16           HE       ARG  16   3.415  -2.423   0.369
  137   HH11  ARG  16          HH11      ARG  16   1.693  -5.443   0.190
  138   HH12  ARG  16          HH12      ARG  16   2.083  -5.716  -1.477
  139   HH21  ARG  16          HH21      ARG  16   3.936  -2.771  -1.825
  140   HH22  ARG  16          HH22      ARG  16   3.359  -4.196  -2.621
  141    H    GLY  17           H        GLY  17   4.894  -1.805   4.140
  142    HA2  GLY  17           HA2      GLY  17   6.266  -4.178   5.140
  143    HA3  GLY  17           HA3      GLY  17   6.866  -3.066   3.918
  144    H    ARG  18           H        ARG  18   5.828  -2.773   7.320
  145    HA   ARG  18           HA       ARG  18   7.670  -0.729   7.930
  146    HB2  ARG  18           HB2      ARG  18   5.553  -1.365   9.200
  147    HB3  ARG  18           HB3      ARG  18   6.497  -2.657   9.929
  148    HG2  ARG  18           HG2      ARG  18   8.047  -1.005  10.848
  149    HG3  ARG  18           HG3      ARG  18   7.094   0.288  10.120
  150    HD2  ARG  18           HD2      ARG  18   5.210  -0.235  11.494
  151    HD3  ARG  18           HD3      ARG  18   5.985  -1.703  12.088
  152    HE   ARG  18           HE       ARG  18   7.573   0.552  12.697
  153   HH11  ARG  18          HH11      ARG  18   4.619  -1.037  13.630
  154   HH12  ARG  18          HH12      ARG  18   4.664  -0.447  15.259
  155   HH21  ARG  18          HH21      ARG  18   7.644   1.334  14.839
  156   HH22  ARG  18          HH22      ARG  18   6.384   0.901  15.945
  157    HN1  NH2  19           H1       NH2  19   7.709  -4.182   8.836
  158    HN2  NH2  19           H2       NH2  19   9.396  -4.338   9.055
  Start of MODEL   11
    1    H    PCA   1           H        PCA   1   1.657   0.024  -0.535
    2    HA   PCA   1           HA       PCA   1   0.723   2.067  -0.492
    3    HB2  PCA   1           HB2      PCA   1  -1.831   1.802   0.588
    4    HB3  PCA   1           HB3      PCA   1  -1.495   1.313  -1.082
    5    HG2  PCA   1           HG2      PCA   1  -1.475  -0.446   1.429
    6    HG3  PCA   1           HG3      PCA   1  -2.209  -0.798  -0.151
    7    H    CYS   2           H        CYS   2   0.902   3.579   0.941
    8    HA   CYS   2           HA       CYS   2   1.360   2.788   3.738
    9    HB2  CYS   2           HB2      CYS   2   2.476   5.126   2.176
   10    HB3  CYS   2           HB3      CYS   2   2.792   4.810   3.878
   11    H    ARG   3           H        ARG   3   0.245   3.734   5.350
   12    HA   ARG   3           HA       ARG   3  -1.573   5.939   4.634
   13    HB2  ARG   3           HB2      ARG   3  -3.154   5.009   6.319
   14    HB3  ARG   3           HB3      ARG   3  -2.887   3.945   4.944
   15    HG2  ARG   3           HG2      ARG   3  -1.493   2.507   6.222
   16    HG3  ARG   3           HG3      ARG   3  -1.441   3.652   7.564
   17    HD2  ARG   3           HD2      ARG   3  -3.679   3.240   8.142
   18    HD3  ARG   3           HD3      ARG   3  -4.023   2.464   6.597
   19    HE   ARG   3           HE       ARG   3  -2.130   0.869   7.706
   20   HH11  ARG   3          HH11      ARG   3  -5.195   2.102   8.802
   21   HH12  ARG   3          HH12      ARG   3  -5.532   0.734   9.812
   22   HH21  ARG   3          HH21      ARG   3  -2.562  -0.937   9.032
   23   HH22  ARG   3          HH22      ARG   3  -4.033  -0.993   9.942
   24    H    ARG   4           H        ARG   4  -1.894   7.563   6.154
   25    HA   ARG   4           HA       ARG   4   0.228   7.780   8.147
   26    HB2  ARG   4           HB2      ARG   4  -0.549   9.595   6.387
   27    HB3  ARG   4           HB3      ARG   4  -1.734   9.971   7.631
   28    HG2  ARG   4           HG2      ARG   4   0.201  10.187   9.236
   29    HG3  ARG   4           HG3      ARG   4   1.260  10.108   7.826
   30    HD2  ARG   4           HD2      ARG   4  -0.982  12.099   8.092
   31    HD3  ARG   4           HD3      ARG   4   0.663  12.425   8.638
   32    HE   ARG   4           HE       ARG   4   1.038  11.671   6.084
   33   HH11  ARG   4          HH11      ARG   4  -1.115  13.973   7.564
   34   HH12  ARG   4          HH12      ARG   4  -1.152  15.020   6.185
   35   HH21  ARG   4          HH21      ARG   4   0.996  13.043   4.262
   36   HH22  ARG   4          HH22      ARG   4   0.048  14.491   4.307
   37    H    LEU   5           H        LEU   5  -0.101   7.617  10.274
   38    HA   LEU   5           HA       LEU   5  -2.883   7.443  11.224
   39    HB2  LEU   5           HB2      LEU   5  -0.425   6.253  12.495
   40    HB3  LEU   5           HB3      LEU   5  -2.098   6.006  12.991
   41    HG   LEU   5           HG       LEU   5  -0.825   5.018  10.440
   42   HD11  LEU   5          HD11      LEU   5  -1.664   2.818  11.678
   43   HD12  LEU   5          HD12      LEU   5  -1.356   3.821  13.095
   44   HD13  LEU   5          HD13      LEU   5  -0.060   3.501  11.943
   45   HD21  LEU   5          HD21      LEU   5  -3.337   3.813  11.013
   46   HD22  LEU   5          HD22      LEU   5  -2.862   4.764   9.604
   47   HD23  LEU   5          HD23      LEU   5  -3.540   5.564  11.024
   48    H    CYS   6           H        CYS   6  -3.473   9.281  12.170
   49    HA   CYS   6           HA       CYS   6  -1.493  10.825  13.680
   50    HB2  CYS   6           HB2      CYS   6  -4.273  11.570  12.747
   51    HB3  CYS   6           HB3      CYS   6  -3.177  12.638  13.617
   52    H    TYR   7           H        TYR   7  -1.525  10.946  15.833
   53    HA   TYR   7           HA       TYR   7  -3.950  10.486  17.337
   54    HB2  TYR   7           HB2      TYR   7  -3.160   8.195  16.990
   55    HB3  TYR   7           HB3      TYR   7  -1.582   8.627  17.639
   56    HD1  TYR   7           HD1      TYR   7  -1.439   7.233  19.525
   57    HD2  TYR   7           HD2      TYR   7  -4.906   9.632  18.954
   58    HE1  TYR   7           HE1      TYR   7  -2.208   6.650  21.788
   59    HE2  TYR   7           HE2      TYR   7  -5.684   9.057  21.215
   60    HH   TYR   7           HH       TYR   7  -5.183   8.038  23.132
   61    H    LYS   8           H        LYS   8  -3.964  11.692  19.130
   62    HA   LYS   8           HA       LYS   8  -3.289  13.070  20.810
   63    HB2  LYS   8           HB2      LYS   8  -0.527  11.898  20.507
   64    HB3  LYS   8           HB3      LYS   8  -1.242  12.622  21.942
   65    HG2  LYS   8           HG2      LYS   8  -2.982  10.625  21.542
   66    HG3  LYS   8           HG3      LYS   8  -1.532   9.901  20.844
   67    HD2  LYS   8           HD2      LYS   8  -1.490   9.269  23.105
   68    HD3  LYS   8           HD3      LYS   8  -0.350  10.612  22.992
   69    HE2  LYS   8           HE2      LYS   8  -2.034  12.141  23.845
   70    HE3  LYS   8           HE3      LYS   8  -3.222  10.838  23.888
   71    HZ1  LYS   8           HZ1      LYS   8  -2.349   9.985  25.762
   72    HZ2  LYS   8           HZ2      LYS   8  -1.763  11.555  25.985
   73    HZ3  LYS   8           HZ3      LYS   8  -0.752  10.359  25.343
   74    H    GLN   9           H        GLN   9  -3.540  14.432  18.636
   75    HA   GLN   9           HA       GLN   9  -2.856  16.203  17.372
   76    HB2  GLN   9           HB2      GLN   9  -0.981  16.835  19.642
   77    HB3  GLN   9           HB3      GLN   9  -1.800  17.957  18.563
   78    HG2  GLN   9           HG2      GLN   9  -3.968  17.049  19.587
   79    HG3  GLN   9           HG3      GLN   9  -2.928  16.389  20.848
   80   HE21  GLN   9          HE21      GLN   9  -1.290  18.077  21.679
   81   HE22  GLN   9          HE22      GLN   9  -1.956  19.626  22.055
   82    H    ARG  10           H        ARG  10  -1.431  13.749  16.926
   83    HA   ARG  10           HA       ARG  10   1.052  14.874  15.835
   84    HB2  ARG  10           HB2      ARG  10   0.836  12.183  17.195
   85    HB3  ARG  10           HB3      ARG  10   2.271  12.831  16.416
   86    HG2  ARG  10           HG2      ARG  10   1.457  14.762  18.282
   87    HG3  ARG  10           HG3      ARG  10   1.341  13.200  19.093
   88    HD2  ARG  10           HD2      ARG  10   3.694  12.806  18.021
   89    HD3  ARG  10           HD3      ARG  10   3.726  14.566  17.930
   90    HE   ARG  10           HE       ARG  10   3.005  14.023  20.508
   91   HH11  ARG  10          HH11      ARG  10   5.676  13.141  18.455
   92   HH12  ARG  10          HH12      ARG  10   6.807  13.014  19.761
   93   HH21  ARG  10          HH21      ARG  10   4.486  13.858  22.235
   94   HH22  ARG  10          HH22      ARG  10   6.129  13.420  21.912
   95    H    CYS  11           H        CYS  11   1.941  13.605  14.042
   96    HA   CYS  11           HA       CYS  11   0.083  11.764  12.749
   97    HB2  CYS  11           HB2      CYS  11   0.949  14.415  11.614
   98    HB3  CYS  11           HB3      CYS  11   0.466  13.083  10.567
   99    H    VAL  12           H        VAL  12   1.119  10.131  11.789
  100    HA   VAL  12           HA       VAL  12   3.896  10.498  10.924
  101    HB   VAL  12           HB       VAL  12   4.348   8.154  11.888
  102   HG11  VAL  12          HG11      VAL  12   4.016  10.488  13.770
  103   HG12  VAL  12          HG12      VAL  12   5.060   9.088  14.023
  104   HG13  VAL  12          HG13      VAL  12   5.394  10.213  12.706
  105   HG21  VAL  12          HG21      VAL  12   2.021   7.636  12.454
  106   HG22  VAL  12          HG22      VAL  12   3.065   7.564  13.875
  107   HG23  VAL  12          HG23      VAL  12   2.013   8.957  13.623
  108    H    THR  13           H        THR  13   4.604   9.011   9.339
  109    HA   THR  13           HA       THR  13   2.419   7.915   7.751
  110    HB   THR  13           HB       THR  13   5.353   8.232   7.090
  111    HG1  THR  13           HG1      THR  13   3.139   9.650   6.010
  112   HG21  THR  13          HG21      THR  13   4.493   7.845   4.729
  113   HG22  THR  13          HG22      THR  13   3.021   7.223   5.475
  114   HG23  THR  13          HG23      THR  13   4.566   6.429   5.777
  115    H    TYR  14           H        TYR  14   2.028   5.801   7.485
  116    HA   TYR  14           HA       TYR  14   3.987   3.889   8.578
  117    HB2  TYR  14           HB2      TYR  14   1.061   4.139   9.020
  118    HB3  TYR  14           HB3      TYR  14   1.698   2.508   8.847
  119    HD1  TYR  14           HD1      TYR  14   2.572   5.667  10.654
  120    HD2  TYR  14           HD2      TYR  14   2.292   1.425  10.788
  121    HE1  TYR  14           HE1      TYR  14   3.282   5.701  13.008
  122    HE2  TYR  14           HE2      TYR  14   3.000   1.446  13.144
  123    HH   TYR  14           HH       TYR  14   4.536   3.680  14.580
  124    H    CYS  15           H        CYS  15   4.160   1.870   7.538
  125    HA   CYS  15           HA       CYS  15   2.794   1.599   4.958
  126    HB2  CYS  15           HB2      CYS  15   5.781   1.316   5.351
  127    HB3  CYS  15           HB3      CYS  15   4.907   0.971   3.861
  128    H    ARG  16           H        ARG  16   2.378  -0.486   4.328
  129    HA   ARG  16           HA       ARG  16   2.073  -2.454   6.243
  130    HB2  ARG  16           HB2      ARG  16   1.945  -4.039   4.242
  131    HB3  ARG  16           HB3      ARG  16   0.817  -2.690   4.268
  132    HG2  ARG  16           HG2      ARG  16   1.820  -1.632   2.512
  133    HG3  ARG  16           HG3      ARG  16   3.404  -2.330   2.854
  134    HD2  ARG  16           HD2      ARG  16   1.061  -3.914   1.818
  135    HD3  ARG  16           HD3      ARG  16   2.288  -3.191   0.780
  136    HE   ARG  16           HE       ARG  16   3.504  -4.796   2.763
  137   HH11  ARG  16          HH11      ARG  16   1.663  -5.017  -0.183
  138   HH12  ARG  16          HH12      ARG  16   2.315  -6.559  -0.629
  139   HH21  ARG  16          HH21      ARG  16   4.370  -6.826   2.187
  140   HH22  ARG  16          HH22      ARG  16   3.855  -7.587   0.721
  141    H    GLY  17           H        GLY  17   4.809  -1.814   4.126
  142    HA2  GLY  17           HA2      GLY  17   6.262  -4.152   4.396
  143    HA3  GLY  17           HA3      GLY  17   6.980  -2.558   4.212
  144    H    ARG  18           H        ARG  18   6.086  -1.413   6.632
  145    HA   ARG  18           HA       ARG  18   8.121  -2.165   8.378
  146    HB2  ARG  18           HB2      ARG  18   5.610  -0.563   8.695
  147    HB3  ARG  18           HB3      ARG  18   6.584  -0.943  10.108
  148    HG2  ARG  18           HG2      ARG  18   8.385   0.317   9.363
  149    HG3  ARG  18           HG3      ARG  18   7.826   0.302   7.690
  150    HD2  ARG  18           HD2      ARG  18   6.689   2.187   7.995
  151    HD3  ARG  18           HD3      ARG  18   5.845   1.505   9.384
  152    HE   ARG  18           HE       ARG  18   8.063   3.314   9.432
  153   HH11  ARG  18          HH11      ARG  18   6.436   0.778  11.175
  154   HH12  ARG  18          HH12      ARG  18   7.016   1.292  12.724
  155   HH21  ARG  18          HH21      ARG  18   8.832   4.002  11.467
  156   HH22  ARG  18          HH22      ARG  18   8.378   3.127  12.890
  157    HN1  NH2  19           H1       NH2  19   4.710  -3.107   8.317
  158    HN2  NH2  19           H2       NH2  19   4.799  -4.390   9.441
  Start of MODEL   12
    1    H    PCA   1           H        PCA   1   1.636  -0.107  -0.419
    2    HA   PCA   1           HA       PCA   1   0.712   1.941  -0.419
    3    HB2  PCA   1           HB2      PCA   1  -1.838   1.712   0.678
    4    HB3  PCA   1           HB3      PCA   1  -1.512   1.184  -0.982
    5    HG2  PCA   1           HG2      PCA   1  -1.489  -0.517   1.569
    6    HG3  PCA   1           HG3      PCA   1  -2.231  -0.902   0.001
    7    H    CYS   2           H        CYS   2   0.898   3.486   0.978
    8    HA   CYS   2           HA       CYS   2   1.372   2.756   3.790
    9    HB2  CYS   2           HB2      CYS   2   2.466   5.088   2.202
   10    HB3  CYS   2           HB3      CYS   2   2.828   4.742   3.890
   11    H    ARG   3           H        ARG   3   0.245   3.716   5.380
   12    HA   ARG   3           HA       ARG   3  -1.555   5.928   4.636
   13    HB2  ARG   3           HB2      ARG   3  -3.197   5.034   6.222
   14    HB3  ARG   3           HB3      ARG   3  -2.823   3.865   4.964
   15    HG2  ARG   3           HG2      ARG   3  -1.477   2.580   6.448
   16    HG3  ARG   3           HG3      ARG   3  -1.555   3.831   7.689
   17    HD2  ARG   3           HD2      ARG   3  -3.711   3.306   8.275
   18    HD3  ARG   3           HD3      ARG   3  -4.100   2.660   6.681
   19    HE   ARG   3           HE       ARG   3  -2.228   0.946   7.734
   20   HH11  ARG   3          HH11      ARG   3  -5.390   2.086   8.641
   21   HH12  ARG   3          HH12      ARG   3  -5.817   0.631   9.479
   22   HH21  ARG   3          HH21      ARG   3  -2.779  -0.974   8.833
   23   HH22  ARG   3          HH22      ARG   3  -4.331  -1.109   9.588
   24    H    ARG   4           H        ARG   4  -1.890   7.555   6.155
   25    HA   ARG   4           HA       ARG   4   0.229   7.778   8.151
   26    HB2  ARG   4           HB2      ARG   4  -0.537   9.589   6.386
   27    HB3  ARG   4           HB3      ARG   4  -1.733   9.966   7.617
   28    HG2  ARG   4           HG2      ARG   4   0.192  10.183   9.240
   29    HG3  ARG   4           HG3      ARG   4   1.256  10.118   7.833
   30    HD2  ARG   4           HD2      ARG   4  -0.998  12.093   8.119
   31    HD3  ARG   4           HD3      ARG   4   0.652  12.426   8.642
   32    HE   ARG   4           HE       ARG   4   0.988  11.677   6.078
   33   HH11  ARG   4          HH11      ARG   4  -1.130  13.979   7.605
   34   HH12  ARG   4          HH12      ARG   4  -1.188  15.033   6.231
   35   HH21  ARG   4          HH21      ARG   4   0.921  13.057   4.263
   36   HH22  ARG   4          HH22      ARG   4  -0.021  14.508   4.330
   37    H    LEU   5           H        LEU   5  -0.105   7.612  10.277
   38    HA   LEU   5           HA       LEU   5  -2.889   7.449  11.223
   39    HB2  LEU   5           HB2      LEU   5  -0.439   6.255  12.506
   40    HB3  LEU   5           HB3      LEU   5  -2.117   6.005  12.985
   41    HG   LEU   5           HG       LEU   5  -0.780   4.998  10.476
   42   HD11  LEU   5          HD11      LEU   5  -0.404   3.880  12.764
   43   HD12  LEU   5          HD12      LEU   5  -0.896   2.873  11.404
   44   HD13  LEU   5          HD13      LEU   5  -2.082   3.357  12.615
   45   HD21  LEU   5          HD21      LEU   5  -3.312   3.829  10.835
   46   HD22  LEU   5          HD22      LEU   5  -2.787   4.903   9.538
   47   HD23  LEU   5          HD23      LEU   5  -3.536   5.572  10.990
   48    H    CYS   6           H        CYS   6  -3.475   9.288  12.166
   49    HA   CYS   6           HA       CYS   6  -1.492  10.828  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.272  11.583  12.749
   51    HB3  CYS   6           HB3      CYS   6  -3.163  12.649  13.606
   52    H    TYR   7           H        TYR   7  -1.525  10.943  15.832
   53    HA   TYR   7           HA       TYR   7  -3.955  10.498  17.333
   54    HB2  TYR   7           HB2      TYR   7  -3.178   8.201  16.983
   55    HB3  TYR   7           HB3      TYR   7  -1.599   8.623  17.636
   56    HD1  TYR   7           HD1      TYR   7  -1.456   7.243  19.529
   57    HD2  TYR   7           HD2      TYR   7  -4.928   9.633  18.940
   58    HE1  TYR   7           HE1      TYR   7  -2.233   6.662  21.789
   59    HE2  TYR   7           HE2      TYR   7  -5.712   9.059  21.199
   60    HH   TYR   7           HH       TYR   7  -3.737   7.618  23.521
   61    H    LYS   8           H        LYS   8  -3.960  11.689  19.137
   62    HA   LYS   8           HA       LYS   8  -3.277  13.060  20.819
   63    HB2  LYS   8           HB2      LYS   8  -0.522  11.877  20.505
   64    HB3  LYS   8           HB3      LYS   8  -1.226  12.603  21.943
   65    HG2  LYS   8           HG2      LYS   8  -2.978  10.603  21.511
   66    HG3  LYS   8           HG3      LYS   8  -1.503   9.882  20.864
   67    HD2  LYS   8           HD2      LYS   8  -1.310   9.265  23.058
   68    HD3  LYS   8           HD3      LYS   8  -0.478  10.822  23.112
   69    HE2  LYS   8           HE2      LYS   8  -2.489  11.903  23.918
   70    HE3  LYS   8           HE3      LYS   8  -3.392  10.397  23.767
   71    HZ1  LYS   8           HZ1      LYS   8  -2.403   9.509  25.604
   72    HZ2  LYS   8           HZ2      LYS   8  -2.391  11.141  26.047
   73    HZ3  LYS   8           HZ3      LYS   8  -0.986  10.420  25.441
   74    H    GLN   9           H        GLN   9  -3.527  14.427  18.646
   75    HA   GLN   9           HA       GLN   9  -2.841  16.201  17.388
   76    HB2  GLN   9           HB2      GLN   9  -0.961  16.821  19.657
   77    HB3  GLN   9           HB3      GLN   9  -1.778  17.948  18.583
   78    HG2  GLN   9           HG2      GLN   9  -3.938  16.926  19.632
   79    HG3  GLN   9           HG3      GLN   9  -2.841  16.456  20.929
   80   HE21  GLN   9          HE21      GLN   9  -3.621  17.809  22.472
   81   HE22  GLN   9          HE22      GLN   9  -3.510  19.531  22.385
   82    H    ARG  10           H        ARG  10  -1.422  13.744  16.935
   83    HA   ARG  10           HA       ARG  10   1.060  14.866  15.842
   84    HB2  ARG  10           HB2      ARG  10   0.842  12.171  17.195
   85    HB3  ARG  10           HB3      ARG  10   2.278  12.821  16.416
   86    HG2  ARG  10           HG2      ARG  10   1.477  14.750  18.285
   87    HG3  ARG  10           HG3      ARG  10   1.338  13.188  19.096
   88    HD2  ARG  10           HD2      ARG  10   3.684  12.738  18.094
   89    HD3  ARG  10           HD3      ARG  10   3.751  14.488  17.891
   90    HE   ARG  10           HE       ARG  10   3.009  14.114  20.496
   91   HH11  ARG  10          HH11      ARG  10   5.681  13.102  18.508
   92   HH12  ARG  10          HH12      ARG  10   6.809  13.051  19.822
   93   HH21  ARG  10          HH21      ARG  10   4.483  14.049  22.235
   94   HH22  ARG  10          HH22      ARG  10   6.127  13.588  21.942
   95    H    CYS  11           H        CYS  11   1.945  13.597  14.046
   96    HA   CYS  11           HA       CYS  11   0.083  11.762  12.752
   97    HB2  CYS  11           HB2      CYS  11   0.952  14.409  11.611
   98    HB3  CYS  11           HB3      CYS  11   0.445  13.081  10.573
   99    H    VAL  12           H        VAL  12   1.120  10.123  11.810
  100    HA   VAL  12           HA       VAL  12   3.893  10.495  10.930
  101    HB   VAL  12           HB       VAL  12   4.348   8.149  11.887
  102   HG11  VAL  12          HG11      VAL  12   5.046   9.081  14.036
  103   HG12  VAL  12          HG12      VAL  12   5.408  10.189  12.712
  104   HG13  VAL  12          HG13      VAL  12   4.023  10.490  13.761
  105   HG21  VAL  12          HG21      VAL  12   2.018   8.948  13.631
  106   HG22  VAL  12          HG22      VAL  12   2.018   7.632  12.457
  107   HG23  VAL  12          HG23      VAL  12   3.067   7.551  13.871
  108    H    THR  13           H        THR  13   4.600   9.010   9.341
  109    HA   THR  13           HA       THR  13   2.410   7.913   7.758
  110    HB   THR  13           HB       THR  13   5.338   8.250   7.082
  111    HG1  THR  13           HG1      THR  13   4.319  10.239   7.133
  112   HG21  THR  13          HG21      THR  13   4.508   6.425   5.792
  113   HG22  THR  13          HG22      THR  13   4.518   7.836   4.734
  114   HG23  THR  13          HG23      THR  13   3.004   7.275   5.442
  115    H    TYR  14           H        TYR  14   2.031   5.796   7.483
  116    HA   TYR  14           HA       TYR  14   4.014   3.891   8.541
  117    HB2  TYR  14           HB2      TYR  14   1.104   4.137   9.063
  118    HB3  TYR  14           HB3      TYR  14   1.731   2.506   8.860
  119    HD1  TYR  14           HD1      TYR  14   2.389   5.651  10.756
  120    HD2  TYR  14           HD2      TYR  14   2.652   1.404  10.685
  121    HE1  TYR  14           HE1      TYR  14   3.164   5.665  13.091
  122    HE2  TYR  14           HE2      TYR  14   3.427   1.407  13.019
  123    HH   TYR  14           HH       TYR  14   3.621   4.406  14.887
  124    H    CYS  15           H        CYS  15   4.105   1.835   7.523
  125    HA   CYS  15           HA       CYS  15   2.746   1.636   4.928
  126    HB2  CYS  15           HB2      CYS  15   5.704   1.209   5.407
  127    HB3  CYS  15           HB3      CYS  15   4.862   0.810   3.912
  128    H    ARG  16           H        ARG  16   2.472  -0.492   4.139
  129    HA   ARG  16           HA       ARG  16   1.761  -2.411   5.990
  130    HB2  ARG  16           HB2      ARG  16   1.851  -4.028   4.072
  131    HB3  ARG  16           HB3      ARG  16   0.931  -2.564   3.754
  132    HG2  ARG  16           HG2      ARG  16   2.137  -2.258   1.927
  133    HG3  ARG  16           HG3      ARG  16   3.561  -2.021   2.942
  134    HD2  ARG  16           HD2      ARG  16   3.542  -4.663   2.967
  135    HD3  ARG  16           HD3      ARG  16   2.655  -4.438   1.460
  136    HE   ARG  16           HE       ARG  16   4.826  -2.832   1.177
  137   HH11  ARG  16          HH11      ARG  16   4.387  -6.194   1.968
  138   HH12  ARG  16          HH12      ARG  16   5.887  -6.691   1.258
  139   HH21  ARG  16          HH21      ARG  16   6.803  -3.474   0.239
  140   HH22  ARG  16          HH22      ARG  16   7.261  -5.143   0.275
  141    H    GLY  17           H        GLY  17   4.865  -1.894   4.414
  142    HA2  GLY  17           HA2      GLY  17   6.001  -4.318   5.527
  143    HA3  GLY  17           HA3      GLY  17   6.843  -3.115   4.559
  144    H    ARG  18           H        ARG  18   5.128  -3.084   7.688
  145    HA   ARG  18           HA       ARG  18   7.319  -1.489   8.795
  146    HB2  ARG  18           HB2      ARG  18   5.094  -0.584   9.129
  147    HB3  ARG  18           HB3      ARG  18   4.554  -2.093   9.853
  148    HG2  ARG  18           HG2      ARG  18   4.914  -0.571  11.622
  149    HG3  ARG  18           HG3      ARG  18   6.255  -1.717  11.659
  150    HD2  ARG  18           HD2      ARG  18   7.356   0.292  11.913
  151    HD3  ARG  18           HD3      ARG  18   7.448   0.053  10.169
  152    HE   ARG  18           HE       ARG  18   5.168   1.498  10.525
  153   HH11  ARG  18          HH11      ARG  18   8.497   1.914  11.452
  154   HH12  ARG  18          HH12      ARG  18   8.429   3.645  11.405
  155   HH21  ARG  18          HH21      ARG  18   5.065   3.775  10.459
  156   HH22  ARG  18          HH22      ARG  18   6.477   4.703  10.842
  157    HN1  NH2  19           H1       NH2  19   8.931  -2.808   9.433
  158    HN2  NH2  19           H2       NH2  19   8.806  -4.132  10.505
  Start of MODEL   13
    1    H    PCA   1           H        PCA   1   1.625  -0.115  -0.418
    2    HA   PCA   1           HA       PCA   1   0.719   1.940  -0.422
    3    HB2  PCA   1           HB2      PCA   1  -1.835   1.736   0.669
    4    HB3  PCA   1           HB3      PCA   1  -1.510   1.202  -0.990
    5    HG2  PCA   1           HG2      PCA   1  -1.508  -0.495   1.563
    6    HG3  PCA   1           HG3      PCA   1  -2.251  -0.875  -0.007
    7    H    CYS   2           H        CYS   2   0.894   3.489   0.977
    8    HA   CYS   2           HA       CYS   2   1.369   2.757   3.789
    9    HB2  CYS   2           HB2      CYS   2   2.465   5.091   2.205
   10    HB3  CYS   2           HB3      CYS   2   2.828   4.739   3.891
   11    H    ARG   3           H        ARG   3   0.241   3.717   5.379
   12    HA   ARG   3           HA       ARG   3  -1.556   5.931   4.635
   13    HB2  ARG   3           HB2      ARG   3  -3.158   5.026   6.308
   14    HB3  ARG   3           HB3      ARG   3  -2.883   3.943   4.950
   15    HG2  ARG   3           HG2      ARG   3  -1.498   2.520   6.263
   16    HG3  ARG   3           HG3      ARG   3  -1.482   3.676   7.597
   17    HD2  ARG   3           HD2      ARG   3  -4.060   3.372   7.550
   18    HD3  ARG   3           HD3      ARG   3  -3.695   1.894   6.659
   19    HE   ARG   3           HE       ARG   3  -2.125   1.992   8.992
   20   HH11  ARG   3          HH11      ARG   3  -5.427   1.554   7.979
   21   HH12  ARG   3          HH12      ARG   3  -5.852   0.573   9.343
   22   HH21  ARG   3          HH21      ARG   3  -2.672   0.701  10.790
   23   HH22  ARG   3          HH22      ARG   3  -4.285   0.089  10.942
   24    H    ARG   4           H        ARG   4  -1.894   7.555   6.158
   25    HA   ARG   4           HA       ARG   4   0.226   7.778   8.153
   26    HB2  ARG   4           HB2      ARG   4  -0.536   9.590   6.389
   27    HB3  ARG   4           HB3      ARG   4  -1.736   9.967   7.618
   28    HG2  ARG   4           HG2      ARG   4   0.189  10.181   9.243
   29    HG3  ARG   4           HG3      ARG   4   1.254  10.122   7.837
   30    HD2  ARG   4           HD2      ARG   4  -1.002  12.095   8.142
   31    HD3  ARG   4           HD3      ARG   4   0.657  12.427   8.641
   32    HE   ARG   4           HE       ARG   4   0.960  11.681   6.075
   33   HH11  ARG   4          HH11      ARG   4  -1.157  13.970   7.624
   34   HH12  ARG   4          HH12      ARG   4  -1.238  15.022   6.249
   35   HH21  ARG   4          HH21      ARG   4   0.860  13.058   4.259
   36   HH22  ARG   4          HH22      ARG   4  -0.091  14.501   4.335
   37    H    LEU   5           H        LEU   5  -0.107   7.613  10.278
   38    HA   LEU   5           HA       LEU   5  -2.891   7.449  11.224
   39    HB2  LEU   5           HB2      LEU   5  -0.440   6.253  12.504
   40    HB3  LEU   5           HB3      LEU   5  -2.116   6.006  12.989
   41    HG   LEU   5           HG       LEU   5  -0.802   5.004  10.466
   42   HD11  LEU   5          HD11      LEU   5  -1.076   2.827  11.398
   43   HD12  LEU   5          HD12      LEU   5  -1.978   3.465  12.772
   44   HD13  LEU   5          HD13      LEU   5  -0.260   3.826  12.601
   45   HD21  LEU   5          HD21      LEU   5  -2.821   4.865   9.562
   46   HD22  LEU   5          HD22      LEU   5  -3.546   5.572  11.005
   47   HD23  LEU   5          HD23      LEU   5  -3.330   3.825  10.892
   48    H    CYS   6           H        CYS   6  -3.476   9.289  12.169
   49    HA   CYS   6           HA       CYS   6  -1.493  10.827  13.681
   50    HB2  CYS   6           HB2      CYS   6  -4.270  11.585  12.749
   51    HB3  CYS   6           HB3      CYS   6  -3.163  12.649  13.609
   52    H    TYR   7           H        TYR   7  -1.528  10.946  15.836
   53    HA   TYR   7           HA       TYR   7  -3.960  10.499  17.333
   54    HB2  TYR   7           HB2      TYR   7  -3.172   8.202  16.980
   55    HB3  TYR   7           HB3      TYR   7  -1.602   8.629  17.650
   56    HD1  TYR   7           HD1      TYR   7  -1.486   7.234  19.537
   57    HD2  TYR   7           HD2      TYR   7  -4.940   9.641  18.925
   58    HE1  TYR   7           HE1      TYR   7  -2.285   6.647  21.788
   59    HE2  TYR   7           HE2      TYR   7  -5.749   9.062  21.174
   60    HH   TYR   7           HH       TYR   7  -4.976   6.652  22.844
   61    H    LYS   8           H        LYS   8  -3.968  11.700  19.129
   62    HA   LYS   8           HA       LYS   8  -3.289  13.074  20.811
   63    HB2  LYS   8           HB2      LYS   8  -0.534  11.885  20.510
   64    HB3  LYS   8           HB3      LYS   8  -1.242  12.616  21.943
   65    HG2  LYS   8           HG2      LYS   8  -2.998  10.635  21.563
   66    HG3  LYS   8           HG3      LYS   8  -1.566   9.897  20.841
   67    HD2  LYS   8           HD2      LYS   8  -1.361   9.244  23.043
   68    HD3  LYS   8           HD3      LYS   8  -0.391  10.719  23.023
   69    HE2  LYS   8           HE2      LYS   8  -2.046  11.960  24.106
   70    HE3  LYS   8           HE3      LYS   8  -3.306  10.788  23.723
   71    HZ1  LYS   8           HZ1      LYS   8  -2.069  10.950  26.089
   72    HZ2  LYS   8           HZ2      LYS   8  -1.133   9.762  25.333
   73    HZ3  LYS   8           HZ3      LYS   8  -2.803   9.544  25.500
   74    H    GLN   9           H        GLN   9  -3.529  14.437  18.638
   75    HA   GLN   9           HA       GLN   9  -2.836  16.208  17.378
   76    HB2  GLN   9           HB2      GLN   9  -0.960  16.824  19.651
   77    HB3  GLN   9           HB3      GLN   9  -1.766  17.953  18.571
   78    HG2  GLN   9           HG2      GLN   9  -3.917  17.379  19.572
   79    HG3  GLN   9           HG3      GLN   9  -3.111  16.243  20.652
   80   HE21  GLN   9          HE21      GLN   9  -3.469  17.167  22.580
   81   HE22  GLN   9          HE22      GLN   9  -2.944  18.751  23.026
   82    H    ARG  10           H        ARG  10  -1.423  13.745  16.934
   83    HA   ARG  10           HA       ARG  10   1.066  14.857  15.845
   84    HB2  ARG  10           HB2      ARG  10   0.831  12.161  17.193
   85    HB3  ARG  10           HB3      ARG  10   2.273  12.807  16.419
   86    HG2  ARG  10           HG2      ARG  10   1.498  14.742  18.279
   87    HG3  ARG  10           HG3      ARG  10   1.306  13.188  19.095
   88    HD2  ARG  10           HD2      ARG  10   3.665  12.708  18.053
   89    HD3  ARG  10           HD3      ARG  10   3.762  14.467  17.986
   90    HE   ARG  10           HE       ARG  10   3.863  12.807  20.338
   91   HH11  ARG  10          HH11      ARG  10   3.224  15.991  19.084
   92   HH12  ARG  10          HH12      ARG  10   3.537  16.789  20.589
   93   HH21  ARG  10          HH21      ARG  10   4.277  13.846  22.326
   94   HH22  ARG  10          HH22      ARG  10   4.137  15.569  22.432
   95    H    CYS  11           H        CYS  11   1.949  13.589  14.049
   96    HA   CYS  11           HA       CYS  11   0.084  11.762  12.748
   97    HB2  CYS  11           HB2      CYS  11   0.965  14.408  11.608
   98    HB3  CYS  11           HB3      CYS  11   0.442  13.082  10.573
   99    H    VAL  12           H        VAL  12   1.124  10.121  11.812
  100    HA   VAL  12           HA       VAL  12   3.896  10.492  10.932
  101    HB   VAL  12           HB       VAL  12   4.349   8.145  11.887
  102   HG11  VAL  12          HG11      VAL  12   5.050   9.074  14.034
  103   HG12  VAL  12          HG12      VAL  12   5.407  10.188  12.713
  104   HG13  VAL  12          HG13      VAL  12   4.023  10.482  13.767
  105   HG21  VAL  12          HG21      VAL  12   1.997   8.945  13.600
  106   HG22  VAL  12          HG22      VAL  12   2.040   7.600  12.460
  107   HG23  VAL  12          HG23      VAL  12   3.066   7.574  13.893
  108    H    THR  13           H        THR  13   4.602   9.010   9.340
  109    HA   THR  13           HA       THR  13   2.412   7.914   7.757
  110    HB   THR  13           HB       THR  13   5.339   8.256   7.079
  111    HG1  THR  13           HG1      THR  13   4.554  10.249   6.915
  112   HG21  THR  13          HG21      THR  13   4.650   6.495   5.715
  113   HG22  THR  13          HG22      THR  13   4.367   7.914   4.707
  114   HG23  THR  13          HG23      THR  13   3.019   7.142   5.539
  115    H    TYR  14           H        TYR  14   2.029   5.797   7.492
  116    HA   TYR  14           HA       TYR  14   4.015   3.894   8.547
  117    HB2  TYR  14           HB2      TYR  14   1.101   4.132   9.051
  118    HB3  TYR  14           HB3      TYR  14   1.735   2.502   8.852
  119    HD1  TYR  14           HD1      TYR  14   2.533   5.653  10.700
  120    HD2  TYR  14           HD2      TYR  14   2.481   1.400  10.737
  121    HE1  TYR  14           HE1      TYR  14   3.293   5.671  13.039
  122    HE2  TYR  14           HE2      TYR  14   3.241   1.405  13.076
  123    HH   TYR  14           HH       TYR  14   4.666   3.786  14.542
  124    H    CYS  15           H        CYS  15   4.162   1.868   7.506
  125    HA   CYS  15           HA       CYS  15   2.789   1.646   4.920
  126    HB2  CYS  15           HB2      CYS  15   5.757   1.278   5.380
  127    HB3  CYS  15           HB3      CYS  15   4.914   0.873   3.887
  128    H    ARG  16           H        ARG  16   2.506  -0.474   4.149
  129    HA   ARG  16           HA       ARG  16   1.901  -2.417   6.020
  130    HB2  ARG  16           HB2      ARG  16   2.015  -4.017   4.034
  131    HB3  ARG  16           HB3      ARG  16   0.925  -2.646   3.890
  132    HG2  ARG  16           HG2      ARG  16   2.204  -1.616   2.296
  133    HG3  ARG  16           HG3      ARG  16   3.696  -2.385   2.842
  134    HD2  ARG  16           HD2      ARG  16   1.436  -3.841   1.480
  135    HD3  ARG  16           HD3      ARG  16   2.855  -3.212   0.643
  136    HE   ARG  16           HE       ARG  16   3.792  -4.808   2.701
  137   HH11  ARG  16          HH11      ARG  16   1.856  -5.184  -0.168
  138   HH12  ARG  16          HH12      ARG  16   2.332  -6.829  -0.430
  139   HH21  ARG  16          HH21      ARG  16   4.427  -6.973   2.366
  140   HH22  ARG  16          HH22      ARG  16   3.794  -7.845   1.011
  141    H    GLY  17           H        GLY  17   4.912  -1.850   4.289
  142    HA2  GLY  17           HA2      GLY  17   6.182  -4.275   5.060
  143    HA3  GLY  17           HA3      GLY  17   6.984  -2.832   4.458
  144    H    ARG  18           H        ARG  18   6.835  -0.950   6.179
  145    HA   ARG  18           HA       ARG  18   7.757  -0.168   8.111
  146    HB2  ARG  18           HB2      ARG  18   5.472  -1.160   8.813
  147    HB3  ARG  18           HB3      ARG  18   6.421  -2.457   9.527
  148    HG2  ARG  18           HG2      ARG  18   7.707  -0.478  10.661
  149    HG3  ARG  18           HG3      ARG  18   6.216   0.403  10.322
  150    HD2  ARG  18           HD2      ARG  18   6.582  -2.065  12.000
  151    HD3  ARG  18           HD3      ARG  18   5.983  -0.485  12.503
  152    HE   ARG  18           HE       ARG  18   4.222  -1.360  10.584
  153   HH11  ARG  18          HH11      ARG  18   5.370  -2.519  13.659
  154   HH12  ARG  18          HH12      ARG  18   3.897  -3.348  14.043
  155   HH21  ARG  18          HH21      ARG  18   2.278  -2.445  11.078
  156   HH22  ARG  18          HH22      ARG  18   2.140  -3.305  12.574
  157    HN1  NH2  19           H1       NH2  19   9.505  -1.755   6.701
  158    HN2  NH2  19           H2       NH2  19  10.526  -2.644   7.741
  Start of MODEL   14
    1    H    PCA   1           H        PCA   1   1.678   0.028  -0.525
    2    HA   PCA   1           HA       PCA   1   0.711   2.055  -0.478
    3    HB2  PCA   1           HB2      PCA   1  -1.832   1.748   0.615
    4    HB3  PCA   1           HB3      PCA   1  -1.497   1.264  -1.056
    5    HG2  PCA   1           HG2      PCA   1  -1.435  -0.492   1.457
    6    HG3  PCA   1           HG3      PCA   1  -2.171  -0.858  -0.120
    7    H    CYS   2           H        CYS   2   0.904   3.563   0.947
    8    HA   CYS   2           HA       CYS   2   1.368   2.784   3.747
    9    HB2  CYS   2           HB2      CYS   2   2.476   5.123   2.180
   10    HB3  CYS   2           HB3      CYS   2   2.803   4.800   3.879
   11    H    ARG   3           H        ARG   3   0.248   3.731   5.355
   12    HA   ARG   3           HA       ARG   3  -1.568   5.938   4.635
   13    HB2  ARG   3           HB2      ARG   3  -3.079   4.974   6.444
   14    HB3  ARG   3           HB3      ARG   3  -2.972   4.068   4.940
   15    HG2  ARG   3           HG2      ARG   3  -1.816   2.338   5.901
   16    HG3  ARG   3           HG3      ARG   3  -1.149   3.353   7.182
   17    HD2  ARG   3           HD2      ARG   3  -3.221   3.388   8.346
   18    HD3  ARG   3           HD3      ARG   3  -4.072   2.666   6.981
   19    HE   ARG   3           HE       ARG   3  -2.514   1.297   8.982
   20   HH11  ARG   3          HH11      ARG   3  -3.852   1.152   5.772
   21   HH12  ARG   3          HH12      ARG   3  -3.849  -0.579   5.707
   22   HH21  ARG   3          HH21      ARG   3  -2.504  -0.983   8.910
   23   HH22  ARG   3          HH22      ARG   3  -3.082  -1.793   7.494
   24    H    ARG   4           H        ARG   4  -1.886   7.565   6.150
   25    HA   ARG   4           HA       ARG   4   0.232   7.779   8.147
   26    HB2  ARG   4           HB2      ARG   4  -0.537   9.595   6.388
   27    HB3  ARG   4           HB3      ARG   4  -1.729   9.970   7.625
   28    HG2  ARG   4           HG2      ARG   4   0.196  10.185   9.242
   29    HG3  ARG   4           HG3      ARG   4   1.262  10.113   7.837
   30    HD2  ARG   4           HD2      ARG   4  -0.984  12.098   8.116
   31    HD3  ARG   4           HD3      ARG   4   0.667  12.425   8.642
   32    HE   ARG   4           HE       ARG   4   1.008  11.671   6.081
   33   HH11  ARG   4          HH11      ARG   4  -1.116  13.977   7.594
   34   HH12  ARG   4          HH12      ARG   4  -1.168  15.029   6.218
   35   HH21  ARG   4          HH21      ARG   4   0.948  13.047   4.263
   36   HH22  ARG   4          HH22      ARG   4   0.006  14.498   4.323
   37    H    LEU   5           H        LEU   5  -0.099   7.619  10.275
   38    HA   LEU   5           HA       LEU   5  -2.883   7.446  11.222
   39    HB2  LEU   5           HB2      LEU   5  -0.426   6.252  12.493
   40    HB3  LEU   5           HB3      LEU   5  -2.099   6.009  12.991
   41    HG   LEU   5           HG       LEU   5  -0.792   4.993  10.468
   42   HD11  LEU   5          HD11      LEU   5  -0.140   3.623  12.262
   43   HD12  LEU   5          HD12      LEU   5  -1.500   2.788  11.513
   44   HD13  LEU   5          HD13      LEU   5  -1.737   3.694  13.008
   45   HD21  LEU   5          HD21      LEU   5  -2.816   4.939   9.558
   46   HD22  LEU   5          HD22      LEU   5  -3.552   5.552  11.039
   47   HD23  LEU   5          HD23      LEU   5  -3.309   3.817  10.826
   48    H    CYS   6           H        CYS   6  -3.472   9.284  12.168
   49    HA   CYS   6           HA       CYS   6  -1.490  10.825  13.681
   50    HB2  CYS   6           HB2      CYS   6  -4.270  11.576  12.749
   51    HB3  CYS   6           HB3      CYS   6  -3.167  12.643  13.612
   52    H    TYR   7           H        TYR   7  -1.525  10.944  15.834
   53    HA   TYR   7           HA       TYR   7  -3.953  10.489  17.334
   54    HB2  TYR   7           HB2      TYR   7  -3.153   8.195  16.976
   55    HB3  TYR   7           HB3      TYR   7  -1.589   8.628  17.655
   56    HD1  TYR   7           HD1      TYR   7  -1.476   7.228  19.537
   57    HD2  TYR   7           HD2      TYR   7  -4.934   9.627  18.917
   58    HE1  TYR   7           HE1      TYR   7  -2.284   6.634  21.783
   59    HE2  TYR   7           HE2      TYR   7  -5.750   9.042  21.163
   60    HH   TYR   7           HH       TYR   7  -3.915   6.846  23.269
   61    H    LYS   8           H        LYS   8  -3.965  11.691  19.129
   62    HA   LYS   8           HA       LYS   8  -3.289  13.067  20.811
   63    HB2  LYS   8           HB2      LYS   8  -0.533  11.880  20.508
   64    HB3  LYS   8           HB3      LYS   8  -1.238  12.617  21.941
   65    HG2  LYS   8           HG2      LYS   8  -2.994  10.641  21.589
   66    HG3  LYS   8           HG3      LYS   8  -1.581   9.897  20.838
   67    HD2  LYS   8           HD2      LYS   8  -0.444   9.751  22.801
   68    HD3  LYS   8           HD3      LYS   8  -1.162  11.228  23.449
   69    HE2  LYS   8           HE2      LYS   8  -3.349   9.740  23.430
   70    HE3  LYS   8           HE3      LYS   8  -2.170   8.431  23.512
   71    HZ1  LYS   8           HZ1      LYS   8  -3.081  10.076  25.585
   72    HZ2  LYS   8           HZ2      LYS   8  -1.433  10.390  25.366
   73    HZ3  LYS   8           HZ3      LYS   8  -1.961   8.810  25.667
   74    H    GLN   9           H        GLN   9  -3.533  14.431  18.638
   75    HA   GLN   9           HA       GLN   9  -2.845  16.203  17.378
   76    HB2  GLN   9           HB2      GLN   9  -0.967  16.823  19.648
   77    HB3  GLN   9           HB3      GLN   9  -1.781  17.950  18.571
   78    HG2  GLN   9           HG2      GLN   9  -3.936  16.869  19.637
   79    HG3  GLN   9           HG3      GLN   9  -2.815  16.512  20.950
   80   HE21  GLN   9          HE21      GLN   9  -2.396  18.056  22.380
   81   HE22  GLN   9          HE22      GLN   9  -2.844  19.717  22.223
   82    H    ARG  10           H        ARG  10  -1.427  13.743  16.932
   83    HA   ARG  10           HA       ARG  10   1.060  14.862  15.843
   84    HB2  ARG  10           HB2      ARG  10   0.830  12.163  17.190
   85    HB3  ARG  10           HB3      ARG  10   2.271  12.813  16.416
   86    HG2  ARG  10           HG2      ARG  10   1.491  14.745  18.278
   87    HG3  ARG  10           HG3      ARG  10   1.307  13.190  19.093
   88    HD2  ARG  10           HD2      ARG  10   3.670  12.733  18.023
   89    HD3  ARG  10           HD3      ARG  10   3.753  14.494  18.004
   90    HE   ARG  10           HE       ARG  10   3.878  12.773  20.307
   91   HH11  ARG  10          HH11      ARG  10   3.177  15.980  19.149
   92   HH12  ARG  10          HH12      ARG  10   3.475  16.738  20.679
   93   HH21  ARG  10          HH21      ARG  10   4.272  13.759  22.325
   94   HH22  ARG  10          HH22      ARG  10   4.099  15.474  22.485
   95    H    CYS  11           H        CYS  11   1.945  13.594  14.045
   96    HA   CYS  11           HA       CYS  11   0.082  11.765  12.745
   97    HB2  CYS  11           HB2      CYS  11   0.956  14.415  11.611
   98    HB3  CYS  11           HB3      CYS  11   0.447  13.089  10.570
   99    H    VAL  12           H        VAL  12   1.125  10.124  11.815
  100    HA   VAL  12           HA       VAL  12   3.896  10.499  10.931
  101    HB   VAL  12           HB       VAL  12   4.352   8.153  11.889
  102   HG11  VAL  12          HG11      VAL  12   4.021  10.482  13.779
  103   HG12  VAL  12          HG12      VAL  12   5.071   9.084  14.023
  104   HG13  VAL  12          HG13      VAL  12   5.396  10.215  12.708
  105   HG21  VAL  12          HG21      VAL  12   3.074   7.578  13.893
  106   HG22  VAL  12          HG22      VAL  12   2.005   8.952  13.611
  107   HG23  VAL  12          HG23      VAL  12   2.041   7.613  12.464
  108    H    THR  13           H        THR  13   4.603   9.014   9.342
  109    HA   THR  13           HA       THR  13   2.415   7.919   7.757
  110    HB   THR  13           HB       THR  13   5.347   8.240   7.090
  111    HG1  THR  13           HG1      THR  13   4.590   9.967   5.820
  112   HG21  THR  13          HG21      THR  13   4.502   7.845   4.733
  113   HG22  THR  13          HG22      THR  13   3.013   7.247   5.465
  114   HG23  THR  13          HG23      THR  13   4.543   6.430   5.785
  115    H    TYR  14           H        TYR  14   2.025   5.804   7.487
  116    HA   TYR  14           HA       TYR  14   3.990   3.893   8.572
  117    HB2  TYR  14           HB2      TYR  14   1.068   4.145   9.031
  118    HB3  TYR  14           HB3      TYR  14   1.698   2.511   8.842
  119    HD1  TYR  14           HD1      TYR  14   2.587   5.656  10.668
  120    HD2  TYR  14           HD2      TYR  14   2.308   1.412  10.770
  121    HE1  TYR  14           HE1      TYR  14   3.311   5.670  13.019
  122    HE2  TYR  14           HE2      TYR  14   3.031   1.414  13.121
  123    HH   TYR  14           HH       TYR  14   4.517   3.883  14.583
  124    H    CYS  15           H        CYS  15   4.188   1.894   7.517
  125    HA   CYS  15           HA       CYS  15   2.811   1.628   4.939
  126    HB2  CYS  15           HB2      CYS  15   5.795   1.332   5.349
  127    HB3  CYS  15           HB3      CYS  15   4.932   0.974   3.857
  128    H    ARG  16           H        ARG  16   2.438  -0.466   4.265
  129    HA   ARG  16           HA       ARG  16   2.062  -2.434   6.167
  130    HB2  ARG  16           HB2      ARG  16   2.002  -4.018   4.166
  131    HB3  ARG  16           HB3      ARG  16   0.880  -2.663   4.143
  132    HG2  ARG  16           HG2      ARG  16   1.994  -1.591   2.447
  133    HG3  ARG  16           HG3      ARG  16   3.533  -2.371   2.820
  134    HD2  ARG  16           HD2      ARG  16   2.612  -4.507   1.994
  135    HD3  ARG  16           HD3      ARG  16   1.122  -3.671   1.559
  136    HE   ARG  16           HE       ARG  16   2.178  -2.809  -0.288
  137   HH11  ARG  16          HH11      ARG  16   4.543  -4.175   1.871
  138   HH12  ARG  16          HH12      ARG  16   5.847  -4.036   0.739
  139   HH21  ARG  16          HH21      ARG  16   3.888  -2.620  -1.786
  140   HH22  ARG  16          HH22      ARG  16   5.474  -3.151  -1.340
  141    H    GLY  17           H        GLY  17   4.874  -1.794   4.152
  142    HA2  GLY  17           HA2      GLY  17   6.254  -4.084   5.391
  143    HA3  GLY  17           HA3      GLY  17   6.739  -3.298   3.896
  144    H    ARG  18           H        ARG  18   5.914  -1.903   7.056
  145    HA   ARG  18           HA       ARG  18   7.857   0.058   7.055
  146    HB2  ARG  18           HB2      ARG  18   5.857  -0.508   8.712
  147    HB3  ARG  18           HB3      ARG  18   7.159  -1.218   9.657
  148    HG2  ARG  18           HG2      ARG  18   7.218   0.869  10.522
  149    HG3  ARG  18           HG3      ARG  18   8.283   1.137   9.140
  150    HD2  ARG  18           HD2      ARG  18   6.195   1.816   7.859
  151    HD3  ARG  18           HD3      ARG  18   5.376   1.849   9.420
  152    HE   ARG  18           HE       ARG  18   7.221   3.788   8.398
  153   HH11  ARG  18          HH11      ARG  18   5.920   2.354  11.293
  154   HH12  ARG  18          HH12      ARG  18   6.259   3.734  12.285
  155   HH21  ARG  18          HH21      ARG  18   7.672   5.610   9.695
  156   HH22  ARG  18          HH22      ARG  18   7.254   5.585  11.374
  157    HN1  NH2  19           H1       NH2  19   8.035  -3.139   8.623
  158    HN2  NH2  19           H2       NH2  19   9.736  -3.247   8.725
  Start of MODEL   15
    1    H    PCA   1           H        PCA   1   1.629  -0.084  -0.454
    2    HA   PCA   1           HA       PCA   1   0.742   1.979  -0.448
    3    HB2  PCA   1           HB2      PCA   1  -1.817   1.791   0.636
    4    HB3  PCA   1           HB3      PCA   1  -1.493   1.263  -1.025
    5    HG2  PCA   1           HG2      PCA   1  -1.511  -0.447   1.520
    6    HG3  PCA   1           HG3      PCA   1  -2.254  -0.814  -0.053
    7    H    CYS   2           H        CYS   2   0.893   3.528   0.964
    8    HA   CYS   2           HA       CYS   2   1.376   2.776   3.768
    9    HB2  CYS   2           HB2      CYS   2   2.464   5.120   2.195
   10    HB3  CYS   2           HB3      CYS   2   2.822   4.771   3.883
   11    H    ARG   3           H        ARG   3   0.247   3.721   5.367
   12    HA   ARG   3           HA       ARG   3  -1.564   5.930   4.639
   13    HB2  ARG   3           HB2      ARG   3  -3.094   4.978   6.426
   14    HB3  ARG   3           HB3      ARG   3  -2.957   4.041   4.944
   15    HG2  ARG   3           HG2      ARG   3  -1.315   2.575   6.077
   16    HG3  ARG   3           HG3      ARG   3  -1.602   3.472   7.570
   17    HD2  ARG   3           HD2      ARG   3  -3.835   2.736   7.703
   18    HD3  ARG   3           HD3      ARG   3  -3.833   2.176   6.032
   19    HE   ARG   3           HE       ARG   3  -1.915   0.804   7.647
   20   HH11  ARG   3          HH11      ARG   3  -5.282   0.941   6.771
   21   HH12  ARG   3          HH12      ARG   3  -5.580  -0.726   7.135
   22   HH21  ARG   3          HH21      ARG   3  -2.295  -1.393   8.130
   23   HH22  ARG   3          HH22      ARG   3  -3.879  -2.053   7.910
   24    H    ARG   4           H        ARG   4  -1.878   7.561   6.148
   25    HA   ARG   4           HA       ARG   4   0.235   7.777   8.148
   26    HB2  ARG   4           HB2      ARG   4  -0.534   9.591   6.386
   27    HB3  ARG   4           HB3      ARG   4  -1.727   9.967   7.623
   28    HG2  ARG   4           HG2      ARG   4   0.200  10.184   9.239
   29    HG3  ARG   4           HG3      ARG   4   1.265  10.111   7.834
   30    HD2  ARG   4           HD2      ARG   4  -0.981  12.096   8.106
   31    HD3  ARG   4           HD3      ARG   4   0.666  12.423   8.638
   32    HE   ARG   4           HE       ARG   4   1.023  11.670   6.082
   33   HH11  ARG   4          HH11      ARG   4  -1.121  13.968   7.577
   34   HH12  ARG   4          HH12      ARG   4  -1.171  15.017   6.199
   35   HH21  ARG   4          HH21      ARG   4   0.966  13.041   4.260
   36   HH22  ARG   4          HH22      ARG   4   0.016  14.488   4.312
   37    H    LEU   5           H        LEU   5  -0.097   7.615  10.275
   38    HA   LEU   5           HA       LEU   5  -2.882   7.446  11.221
   39    HB2  LEU   5           HB2      LEU   5  -0.427   6.252  12.497
   40    HB3  LEU   5           HB3      LEU   5  -2.102   6.006  12.988
   41    HG   LEU   5           HG       LEU   5  -0.816   5.013  10.446
   42   HD11  LEU   5          HD11      LEU   5  -0.947   2.853  11.375
   43   HD12  LEU   5          HD12      LEU   5  -1.947   3.406  12.718
   44   HD13  LEU   5          HD13      LEU   5  -0.249   3.873  12.635
   45   HD21  LEU   5          HD21      LEU   5  -3.539   5.569  11.015
   46   HD22  LEU   5          HD22      LEU   5  -3.336   3.817  10.980
   47   HD23  LEU   5          HD23      LEU   5  -2.849   4.791   9.591
   48    H    CYS   6           H        CYS   6  -3.470   9.284  12.166
   49    HA   CYS   6           HA       CYS   6  -1.488  10.825  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.269  11.578  12.750
   51    HB3  CYS   6           HB3      CYS   6  -3.160  12.645  13.606
   52    H    TYR   7           H        TYR   7  -1.524  10.946  15.832
   53    HA   TYR   7           HA       TYR   7  -3.954  10.492  17.331
   54    HB2  TYR   7           HB2      TYR   7  -3.155   8.198  16.975
   55    HB3  TYR   7           HB3      TYR   7  -1.590   8.630  17.654
   56    HD1  TYR   7           HD1      TYR   7  -1.474   7.237  19.540
   57    HD2  TYR   7           HD2      TYR   7  -4.940   9.624  18.911
   58    HE1  TYR   7           HE1      TYR   7  -2.283   6.645  21.787
   59    HE2  TYR   7           HE2      TYR   7  -5.757   9.040  21.155
   60    HH   TYR   7           HH       TYR   7  -5.481   7.407  22.849
   61    H    LYS   8           H        LYS   8  -3.964  11.690  19.131
   62    HA   LYS   8           HA       LYS   8  -3.288  13.066  20.811
   63    HB2  LYS   8           HB2      LYS   8  -0.532  11.876  20.504
   64    HB3  LYS   8           HB3      LYS   8  -1.232  12.618  21.938
   65    HG2  LYS   8           HG2      LYS   8  -2.993  10.640  21.578
   66    HG3  LYS   8           HG3      LYS   8  -1.568   9.894  20.850
   67    HD2  LYS   8           HD2      LYS   8  -0.455   9.770  22.829
   68    HD3  LYS   8           HD3      LYS   8  -1.188  11.247  23.457
   69    HE2  LYS   8           HE2      LYS   8  -3.368   9.761  23.434
   70    HE3  LYS   8           HE3      LYS   8  -2.197   8.445  23.509
   71    HZ1  LYS   8           HZ1      LYS   8  -2.730  10.564  25.483
   72    HZ2  LYS   8           HZ2      LYS   8  -1.212   9.818  25.439
   73    HZ3  LYS   8           HZ3      LYS   8  -2.601   8.894  25.718
   74    H    GLN   9           H        GLN   9  -3.533  14.431  18.638
   75    HA   GLN   9           HA       GLN   9  -2.847  16.203  17.379
   76    HB2  GLN   9           HB2      GLN   9  -0.968  16.825  19.649
   77    HB3  GLN   9           HB3      GLN   9  -1.782  17.951  18.572
   78    HG2  GLN   9           HG2      GLN   9  -2.967  16.338  20.807
   79    HG3  GLN   9           HG3      GLN   9  -2.883  18.091  20.648
   80   HE21  GLN   9          HE21      GLN   9  -3.731  18.425  18.058
   81   HE22  GLN   9          HE22      GLN   9  -5.385  17.941  17.926
   82    H    ARG  10           H        ARG  10  -1.426  13.744  16.934
   83    HA   ARG  10           HA       ARG  10   1.058  14.864  15.841
   84    HB2  ARG  10           HB2      ARG  10   0.835  12.168  17.192
   85    HB3  ARG  10           HB3      ARG  10   2.273  12.817  16.417
   86    HG2  ARG  10           HG2      ARG  10   1.416  14.726  18.313
   87    HG3  ARG  10           HG3      ARG  10   1.380  13.145  19.097
   88    HD2  ARG  10           HD2      ARG  10   3.722  12.849  18.011
   89    HD3  ARG  10           HD3      ARG  10   3.687  14.606  17.878
   90    HE   ARG  10           HE       ARG  10   3.037  14.104  20.480
   91   HH11  ARG  10          HH11      ARG  10   5.696  13.260  18.399
   92   HH12  ARG  10          HH12      ARG  10   6.855  13.204  19.686
   93   HH21  ARG  10          HH21      ARG  10   4.553  14.032  22.183
   94   HH22  ARG  10          HH22      ARG  10   6.204  13.642  21.838
   95    H    CYS  11           H        CYS  11   1.943  13.595  14.045
   96    HA   CYS  11           HA       CYS  11   0.082  11.761  12.749
   97    HB2  CYS  11           HB2      CYS  11   0.947  14.413  11.615
   98    HB3  CYS  11           HB3      CYS  11   0.451  13.085  10.571
   99    H    VAL  12           H        VAL  12   1.124  10.120  11.817
  100    HA   VAL  12           HA       VAL  12   3.897  10.495  10.936
  101    HB   VAL  12           HB       VAL  12   4.350   8.149  11.891
  102   HG11  VAL  12          HG11      VAL  12   5.400  10.201  12.714
  103   HG12  VAL  12          HG12      VAL  12   4.020  10.479  13.780
  104   HG13  VAL  12          HG13      VAL  12   5.061   9.078  14.030
  105   HG21  VAL  12          HG21      VAL  12   2.027   8.946  13.642
  106   HG22  VAL  12          HG22      VAL  12   2.013   7.640  12.457
  107   HG23  VAL  12          HG23      VAL  12   3.069   7.541  13.866
  108    H    THR  13           H        THR  13   4.605   9.014   9.344
  109    HA   THR  13           HA       THR  13   2.417   7.923   7.754
  110    HB   THR  13           HB       THR  13   5.353   8.239   7.094
  111    HG1  THR  13           HG1      THR  13   4.391  10.239   7.113
  112   HG21  THR  13          HG21      THR  13   3.032   7.401   5.350
  113   HG22  THR  13          HG22      THR  13   4.381   6.383   5.854
  114   HG23  THR  13          HG23      THR  13   4.663   7.752   4.780
  115    H    TYR  14           H        TYR  14   2.025   5.809   7.483
  116    HA   TYR  14           HA       TYR  14   3.990   3.892   8.555
  117    HB2  TYR  14           HB2      TYR  14   1.077   4.157   9.054
  118    HB3  TYR  14           HB3      TYR  14   1.695   2.521   8.855
  119    HD1  TYR  14           HD1      TYR  14   2.453   5.665  10.726
  120    HD2  TYR  14           HD2      TYR  14   2.495   1.410  10.719
  121    HE1  TYR  14           HE1      TYR  14   3.209   5.674  13.066
  122    HE2  TYR  14           HE2      TYR  14   3.251   1.408  13.060
  123    HH   TYR  14           HH       TYR  14   3.724   4.447  14.840
  124    H    CYS  15           H        CYS  15   4.069   1.830   7.542
  125    HA   CYS  15           HA       CYS  15   2.717   1.623   4.946
  126    HB2  CYS  15           HB2      CYS  15   5.682   1.224   5.405
  127    HB3  CYS  15           HB3      CYS  15   4.832   0.834   3.912
  128    H    ARG  16           H        ARG  16   2.447  -0.505   4.169
  129    HA   ARG  16           HA       ARG  16   1.789  -2.432   6.031
  130    HB2  ARG  16           HB2      ARG  16   1.966  -4.051   4.065
  131    HB3  ARG  16           HB3      ARG  16   0.884  -2.680   3.872
  132    HG2  ARG  16           HG2      ARG  16   2.225  -1.662   2.317
  133    HG3  ARG  16           HG3      ARG  16   3.691  -2.442   2.913
  134    HD2  ARG  16           HD2      ARG  16   3.209  -4.447   1.828
  135    HD3  ARG  16           HD3      ARG  16   1.502  -4.046   1.647
  136    HE   ARG  16           HE       ARG  16   2.003  -2.901  -0.277
  137   HH11  ARG  16          HH11      ARG  16   4.940  -3.608   1.453
  138   HH12  ARG  16          HH12      ARG  16   5.977  -3.105   0.160
  139   HH21  ARG  16          HH21      ARG  16   3.358  -2.235  -1.988
  140   HH22  ARG  16          HH22      ARG  16   5.077  -2.323  -1.796
  141    H    GLY  17           H        GLY  17   4.857  -1.884   4.399
  142    HA2  GLY  17           HA2      GLY  17   6.192  -4.242   4.955
  143    HA3  GLY  17           HA3      GLY  17   6.966  -2.667   4.863
  144    H    ARG  18           H        ARG  18   6.389  -1.289   6.950
  145    HA   ARG  18           HA       ARG  18   7.614  -2.687   9.118
  146    HB2  ARG  18           HB2      ARG  18   7.376  -0.562  10.337
  147    HB3  ARG  18           HB3      ARG  18   8.078  -0.327   8.741
  148    HG2  ARG  18           HG2      ARG  18   5.669   0.196   7.997
  149    HG3  ARG  18           HG3      ARG  18   5.345   0.392   9.720
  150    HD2  ARG  18           HD2      ARG  18   5.875   2.547   9.005
  151    HD3  ARG  18           HD3      ARG  18   7.375   1.960   9.722
  152    HE   ARG  18           HE       ARG  18   7.317   1.417   6.943
  153   HH11  ARG  18          HH11      ARG  18   7.744   4.008   9.228
  154   HH12  ARG  18          HH12      ARG  18   8.739   4.953   8.169
  155   HH21  ARG  18          HH21      ARG  18   8.625   2.650   5.540
  156   HH22  ARG  18          HH22      ARG  18   9.238   4.179   6.071
  157    HN1  NH2  19           H1       NH2  19   4.346  -1.611   8.372
  158    HN2  NH2  19           H2       NH2  19   3.535  -2.368   9.671
  Start of MODEL   16
    1    H    PCA   1           H        PCA   1   1.686   0.017  -0.497
    2    HA   PCA   1           HA       PCA   1   0.667   2.018  -0.447
    3    HB2  PCA   1           HB2      PCA   1  -1.860   1.645   0.665
    4    HB3  PCA   1           HB3      PCA   1  -1.525   1.168  -1.008
    5    HG2  PCA   1           HG2      PCA   1  -1.397  -0.582   1.507
    6    HG3  PCA   1           HG3      PCA   1  -2.136  -0.969  -0.064
    7    H    CYS   2           H        CYS   2   0.900   3.517   0.964
    8    HA   CYS   2           HA       CYS   2   1.354   2.758   3.772
    9    HB2  CYS   2           HB2      CYS   2   2.480   5.077   2.187
   10    HB3  CYS   2           HB3      CYS   2   2.803   4.764   3.890
   11    H    ARG   3           H        ARG   3   0.234   3.722   5.369
   12    HA   ARG   3           HA       ARG   3  -1.557   5.942   4.631
   13    HB2  ARG   3           HB2      ARG   3  -3.124   5.017   6.374
   14    HB3  ARG   3           HB3      ARG   3  -2.941   4.027   4.932
   15    HG2  ARG   3           HG2      ARG   3  -1.421   2.547   6.118
   16    HG3  ARG   3           HG3      ARG   3  -1.550   3.555   7.560
   17    HD2  ARG   3           HD2      ARG   3  -3.858   3.018   7.821
   18    HD3  ARG   3           HD3      ARG   3  -3.910   2.227   6.246
   19    HE   ARG   3           HE       ARG   3  -2.000   0.972   7.907
   20   HH11  ARG   3          HH11      ARG   3  -5.438   1.301   7.462
   21   HH12  ARG   3          HH12      ARG   3  -5.807  -0.242   8.157
   22   HH21  ARG   3          HH21      ARG   3  -2.474  -1.062   8.824
   23   HH22  ARG   3          HH22      ARG   3  -4.121  -1.585   8.931
   24    H    ARG   4           H        ARG   4  -1.880   7.570   6.151
   25    HA   ARG   4           HA       ARG   4   0.235   7.776   8.150
   26    HB2  ARG   4           HB2      ARG   4  -0.529   9.596   6.390
   27    HB3  ARG   4           HB3      ARG   4  -1.720   9.973   7.629
   28    HG2  ARG   4           HG2      ARG   4   0.206  10.184   9.244
   29    HG3  ARG   4           HG3      ARG   4   1.272  10.105   7.840
   30    HD2  ARG   4           HD2      ARG   4  -0.967  12.098   8.092
   31    HD3  ARG   4           HD3      ARG   4   0.673  12.422   8.653
   32    HE   ARG   4           HE       ARG   4   1.066  11.667   6.099
   33   HH11  ARG   4          HH11      ARG   4  -1.082  13.980   7.570
   34   HH12  ARG   4          HH12      ARG   4  -1.102  15.031   6.193
   35   HH21  ARG   4          HH21      ARG   4   1.048  13.044   4.281
   36   HH22  ARG   4          HH22      ARG   4   0.109  14.498   4.323
   37    H    LEU   5           H        LEU   5  -0.099   7.616  10.276
   38    HA   LEU   5           HA       LEU   5  -2.883   7.449  11.221
   39    HB2  LEU   5           HB2      LEU   5  -0.429   6.251  12.495
   40    HB3  LEU   5           HB3      LEU   5  -2.103   6.010  12.990
   41    HG   LEU   5           HG       LEU   5  -0.817   5.008  10.452
   42   HD11  LEU   5          HD11      LEU   5  -0.094   3.529  12.041
   43   HD12  LEU   5          HD12      LEU   5  -1.648   2.809  11.624
   44   HD13  LEU   5          HD13      LEU   5  -1.493   3.789  13.081
   45   HD21  LEU   5          HD21      LEU   5  -3.552   5.562  11.037
   46   HD22  LEU   5          HD22      LEU   5  -3.334   3.816  10.931
   47   HD23  LEU   5          HD23      LEU   5  -2.852   4.850   9.584
   48    H    CYS   6           H        CYS   6  -3.471   9.288  12.165
   49    HA   CYS   6           HA       CYS   6  -1.489  10.826  13.681
   50    HB2  CYS   6           HB2      CYS   6  -4.267  11.584  12.749
   51    HB3  CYS   6           HB3      CYS   6  -3.157  12.649  13.607
   52    H    TYR   7           H        TYR   7  -1.525  10.940  15.835
   53    HA   TYR   7           HA       TYR   7  -3.958  10.495  17.331
   54    HB2  TYR   7           HB2      TYR   7  -3.171   8.198  16.972
   55    HB3  TYR   7           HB3      TYR   7  -1.604   8.621  17.651
   56    HD1  TYR   7           HD1      TYR   7  -1.497   7.223  19.535
   57    HD2  TYR   7           HD2      TYR   7  -4.948   9.632  18.911
   58    HE1  TYR   7           HE1      TYR   7  -2.308   6.632  21.781
   59    HE2  TYR   7           HE2      TYR   7  -5.768   9.049  21.155
   60    HH   TYR   7           HH       TYR   7  -5.388   7.027  22.786
   61    H    LYS   8           H        LYS   8  -3.965  11.689  19.132
   62    HA   LYS   8           HA       LYS   8  -3.285  13.060  20.816
   63    HB2  LYS   8           HB2      LYS   8  -0.533  11.861  20.508
   64    HB3  LYS   8           HB3      LYS   8  -1.232  12.601  21.943
   65    HG2  LYS   8           HG2      LYS   8  -2.999  10.630  21.578
   66    HG3  LYS   8           HG3      LYS   8  -1.577   9.881  20.847
   67    HD2  LYS   8           HD2      LYS   8  -0.469   9.739  22.825
   68    HD3  LYS   8           HD3      LYS   8  -1.186  11.224  23.456
   69    HE2  LYS   8           HE2      LYS   8  -3.380   9.769  23.444
   70    HE3  LYS   8           HE3      LYS   8  -2.230   8.434  23.500
   71    HZ1  LYS   8           HZ1      LYS   8  -2.996  10.264  25.565
   72    HZ2  LYS   8           HZ2      LYS   8  -1.316  10.165  25.390
   73    HZ3  LYS   8           HZ3      LYS   8  -2.220   8.765  25.686
   74    H    GLN   9           H        GLN   9  -3.524  14.429  18.647
   75    HA   GLN   9           HA       GLN   9  -2.830  16.202  17.391
   76    HB2  GLN   9           HB2      GLN   9  -0.950  16.810  19.663
   77    HB3  GLN   9           HB3      GLN   9  -1.758  17.942  18.587
   78    HG2  GLN   9           HG2      GLN   9  -3.130  16.215  20.634
   79    HG3  GLN   9           HG3      GLN   9  -2.722  17.917  20.842
   80   HE21  GLN   9          HE21      GLN   9  -3.752  19.460  19.457
   81   HE22  GLN   9          HE22      GLN   9  -5.311  19.124  18.795
   82    H    ARG  10           H        ARG  10  -1.421  13.739  16.937
   83    HA   ARG  10           HA       ARG  10   1.070  14.851  15.851
   84    HB2  ARG  10           HB2      ARG  10   0.830  12.149  17.190
   85    HB3  ARG  10           HB3      ARG  10   2.273  12.795  16.418
   86    HG2  ARG  10           HG2      ARG  10   1.499  14.723  18.286
   87    HG3  ARG  10           HG3      ARG  10   1.311  13.167  19.095
   88    HD2  ARG  10           HD2      ARG  10   3.539  13.939  19.487
   89    HD3  ARG  10           HD3      ARG  10   3.621  12.587  18.359
   90    HE   ARG  10           HE       ARG  10   4.525  14.001  16.818
   91   HH11  ARG  10          HH11      ARG  10   2.864  15.893  19.222
   92   HH12  ARG  10          HH12      ARG  10   3.388  17.413  18.576
   93   HH21  ARG  10          HH21      ARG  10   5.223  15.996  15.959
   94   HH22  ARG  10          HH22      ARG  10   4.730  17.470  16.720
   95    H    CYS  11           H        CYS  11   1.949  13.586  14.050
   96    HA   CYS  11           HA       CYS  11   0.083  11.765  12.745
   97    HB2  CYS  11           HB2      CYS  11   0.963  14.413  11.606
   98    HB3  CYS  11           HB3      CYS  11   0.425  13.091  10.576
   99    H    VAL  12           H        VAL  12   1.128  10.124  11.819
  100    HA   VAL  12           HA       VAL  12   3.892  10.506  10.916
  101    HB   VAL  12           HB       VAL  12   4.360   8.162  11.880
  102   HG11  VAL  12          HG11      VAL  12   5.099   9.102  13.999
  103   HG12  VAL  12          HG12      VAL  12   5.407  10.232  12.678
  104   HG13  VAL  12          HG13      VAL  12   4.044  10.496  13.765
  105   HG21  VAL  12          HG21      VAL  12   1.970   7.742  12.462
  106   HG22  VAL  12          HG22      VAL  12   3.094   7.488  13.797
  107   HG23  VAL  12          HG23      VAL  12   2.119   8.955  13.733
  108    H    THR  13           H        THR  13   4.594   9.021   9.326
  109    HA   THR  13           HA       THR  13   2.399   7.912   7.759
  110    HB   THR  13           HB       THR  13   5.326   8.239   7.071
  111    HG1  THR  13           HG1      THR  13   3.015   9.684   6.224
  112   HG21  THR  13          HG21      THR  13   4.584   7.767   4.752
  113   HG22  THR  13          HG22      THR  13   2.986   7.357   5.377
  114   HG23  THR  13          HG23      THR  13   4.386   6.385   5.831
  115    H    TYR  14           H        TYR  14   2.019   5.794   7.492
  116    HA   TYR  14           HA       TYR  14   3.993   3.895   8.578
  117    HB2  TYR  14           HB2      TYR  14   1.074   4.137   9.041
  118    HB3  TYR  14           HB3      TYR  14   1.704   2.505   8.846
  119    HD1  TYR  14           HD1      TYR  14   2.581   5.645  10.683
  120    HD2  TYR  14           HD2      TYR  14   2.332   1.399  10.765
  121    HE1  TYR  14           HE1      TYR  14   3.311   5.654  13.031
  122    HE2  TYR  14           HE2      TYR  14   3.060   1.397  13.115
  123    HH   TYR  14           HH       TYR  14   3.861   2.632  14.796
  124    H    CYS  15           H        CYS  15   4.160   1.868   7.545
  125    HA   CYS  15           HA       CYS  15   2.804   1.605   4.957
  126    HB2  CYS  15           HB2      CYS  15   5.785   1.303   5.381
  127    HB3  CYS  15           HB3      CYS  15   4.927   0.937   3.888
  128    H    ARG  16           H        ARG  16   2.461  -0.497   4.266
  129    HA   ARG  16           HA       ARG  16   2.046  -2.456   6.173
  130    HB2  ARG  16           HB2      ARG  16   2.020  -4.048   4.176
  131    HB3  ARG  16           HB3      ARG  16   0.899  -2.695   4.132
  132    HG2  ARG  16           HG2      ARG  16   1.997  -1.656   2.425
  133    HG3  ARG  16           HG3      ARG  16   3.560  -2.347   2.863
  134    HD2  ARG  16           HD2      ARG  16   1.347  -4.088   1.844
  135    HD3  ARG  16           HD3      ARG  16   2.363  -3.182   0.725
  136    HE   ARG  16           HE       ARG  16   4.017  -4.579   2.500
  137   HH11  ARG  16          HH11      ARG  16   1.774  -5.195  -0.090
  138   HH12  ARG  16          HH12      ARG  16   2.548  -6.663  -0.586
  139   HH21  ARG  16          HH21      ARG  16   5.045  -6.511   1.857
  140   HH22  ARG  16          HH22      ARG  16   4.408  -7.411   0.522
  141    H    GLY  17           H        GLY  17   4.891  -1.828   4.201
  142    HA2  GLY  17           HA2      GLY  17   6.312  -4.183   4.609
  143    HA3  GLY  17           HA3      GLY  17   7.044  -2.605   4.362
  144    H    ARG  18           H        ARG  18   5.882  -1.435   6.755
  145    HA   ARG  18           HA       ARG  18   7.899  -2.248   8.612
  146    HB2  ARG  18           HB2      ARG  18   5.789  -0.155   8.512
  147    HB3  ARG  18           HB3      ARG  18   6.397  -0.613  10.098
  148    HG2  ARG  18           HG2      ARG  18   8.731  -0.253   8.990
  149    HG3  ARG  18           HG3      ARG  18   7.810   0.715   7.837
  150    HD2  ARG  18           HD2      ARG  18   6.853   1.959   9.794
  151    HD3  ARG  18           HD3      ARG  18   8.001   1.099  10.819
  152    HE   ARG  18           HE       ARG  18   8.563   3.289   9.042
  153   HH11  ARG  18          HH11      ARG  18   9.888   0.527  10.698
  154   HH12  ARG  18          HH12      ARG  18  11.510   1.136  10.689
  155   HH21  ARG  18          HH21      ARG  18  10.695   4.101   9.023
  156   HH22  ARG  18          HH22      ARG  18  11.968   3.169   9.737
  157    HN1  NH2  19           H1       NH2  19   7.388  -4.443   9.023
  158    HN2  NH2  19           H2       NH2  19   6.122  -4.928  10.061
  Start of MODEL   17
    1    H    PCA   1           H        PCA   1   1.696  -0.010  -0.477
    2    HA   PCA   1           HA       PCA   1   0.688   1.997  -0.437
    3    HB2  PCA   1           HB2      PCA   1  -1.836   1.647   0.685
    4    HB3  PCA   1           HB3      PCA   1  -1.509   1.156  -0.985
    5    HG2  PCA   1           HG2      PCA   1  -1.385  -0.576   1.542
    6    HG3  PCA   1           HG3      PCA   1  -2.130  -0.971  -0.024
    7    H    CYS   2           H        CYS   2   0.894   3.514   0.969
    8    HA   CYS   2           HA       CYS   2   1.377   2.770   3.776
    9    HB2  CYS   2           HB2      CYS   2   2.466   5.110   2.197
   10    HB3  CYS   2           HB3      CYS   2   2.826   4.762   3.885
   11    H    ARG   3           H        ARG   3   0.247   3.719   5.371
   12    HA   ARG   3           HA       ARG   3  -1.561   5.930   4.637
   13    HB2  ARG   3           HB2      ARG   3  -3.225   5.030   6.154
   14    HB3  ARG   3           HB3      ARG   3  -2.774   3.804   4.976
   15    HG2  ARG   3           HG2      ARG   3  -1.361   2.711   6.615
   16    HG3  ARG   3           HG3      ARG   3  -1.734   3.967   7.796
   17    HD2  ARG   3           HD2      ARG   3  -4.069   3.326   7.788
   18    HD3  ARG   3           HD3      ARG   3  -3.763   2.137   6.523
   19    HE   ARG   3           HE       ARG   3  -2.171   1.705   8.862
   20   HH11  ARG   3          HH11      ARG   3  -5.295   1.169   7.423
   21   HH12  ARG   3          HH12      ARG   3  -5.639  -0.235   8.378
   22   HH21  ARG   3          HH21      ARG   3  -2.612  -0.142  10.126
   23   HH22  ARG   3          HH22      ARG   3  -4.113  -0.979   9.916
   24    H    ARG   4           H        ARG   4  -1.881   7.560   6.149
   25    HA   ARG   4           HA       ARG   4   0.232   7.777   8.148
   26    HB2  ARG   4           HB2      ARG   4  -0.534   9.591   6.386
   27    HB3  ARG   4           HB3      ARG   4  -1.730   9.966   7.620
   28    HG2  ARG   4           HG2      ARG   4   0.195  10.183   9.240
   29    HG3  ARG   4           HG3      ARG   4   1.262  10.114   7.835
   30    HD2  ARG   4           HD2      ARG   4  -0.992  12.091   8.101
   31    HD3  ARG   4           HD3      ARG   4   0.650  12.424   8.651
   32    HE   ARG   4           HE       ARG   4   1.007  11.664   6.082
   33   HH11  ARG   4          HH11      ARG   4  -1.056  14.014   7.612
   34   HH12  ARG   4          HH12      ARG   4  -1.070  15.082   6.249
   35   HH21  ARG   4          HH21      ARG   4   0.995  13.061   4.280
   36   HH22  ARG   4          HH22      ARG   4   0.096  14.539   4.353
   37    H    LEU   5           H        LEU   5  -0.101   7.616  10.275
   38    HA   LEU   5           HA       LEU   5  -2.885   7.447  11.221
   39    HB2  LEU   5           HB2      LEU   5  -0.434   6.252  12.500
   40    HB3  LEU   5           HB3      LEU   5  -2.109   6.006  12.985
   41    HG   LEU   5           HG       LEU   5  -0.796   5.004  10.461
   42   HD11  LEU   5          HD11      LEU   5  -0.773   2.914  11.403
   43   HD12  LEU   5          HD12      LEU   5  -2.069   3.288  12.537
   44   HD13  LEU   5          HD13      LEU   5  -0.445   3.915  12.817
   45   HD21  LEU   5          HD21      LEU   5  -3.323   3.824  10.893
   46   HD22  LEU   5          HD22      LEU   5  -2.816   4.859   9.558
   47   HD23  LEU   5          HD23      LEU   5  -3.539   5.570  11.002
   48    H    CYS   6           H        CYS   6  -3.472   9.286  12.166
   49    HA   CYS   6           HA       CYS   6  -1.491  10.826  13.678
   50    HB2  CYS   6           HB2      CYS   6  -4.269  11.578  12.748
   51    HB3  CYS   6           HB3      CYS   6  -3.165  12.645  13.610
   52    H    TYR   7           H        TYR   7  -1.525  10.945  15.833
   53    HA   TYR   7           HA       TYR   7  -3.954  10.492  17.332
   54    HB2  TYR   7           HB2      TYR   7  -3.156   8.197  16.976
   55    HB3  TYR   7           HB3      TYR   7  -1.590   8.630  17.652
   56    HD1  TYR   7           HD1      TYR   7  -1.475   7.232  19.537
   57    HD2  TYR   7           HD2      TYR   7  -4.936   9.626  18.916
   58    HE1  TYR   7           HE1      TYR   7  -2.280   6.640  21.785
   59    HE2  TYR   7           HE2      TYR   7  -5.750   9.043  21.162
   60    HH   TYR   7           HH       TYR   7  -3.840   6.980  23.331
   61    H    LYS   8           H        LYS   8  -3.964  11.688  19.132
   62    HA   LYS   8           HA       LYS   8  -3.287  13.066  20.812
   63    HB2  LYS   8           HB2      LYS   8  -0.534  11.873  20.505
   64    HB3  LYS   8           HB3      LYS   8  -1.231  12.618  21.938
   65    HG2  LYS   8           HG2      LYS   8  -2.995  10.645  21.589
   66    HG3  LYS   8           HG3      LYS   8  -1.578   9.893  20.853
   67    HD2  LYS   8           HD2      LYS   8  -0.449   9.775  22.824
   68    HD3  LYS   8           HD3      LYS   8  -1.187  11.245  23.461
   69    HE2  LYS   8           HE2      LYS   8  -3.358   9.740  23.435
   70    HE3  LYS   8           HE3      LYS   8  -2.173   8.437  23.513
   71    HZ1  LYS   8           HZ1      LYS   8  -1.399   9.159  25.561
   72    HZ2  LYS   8           HZ2      LYS   8  -3.068   9.393  25.692
   73    HZ3  LYS   8           HZ3      LYS   8  -2.051  10.711  25.392
   74    H    GLN   9           H        GLN   9  -3.533  14.430  18.639
   75    HA   GLN   9           HA       GLN   9  -2.844  16.202  17.379
   76    HB2  GLN   9           HB2      GLN   9  -0.966  16.823  19.649
   77    HB3  GLN   9           HB3      GLN   9  -1.780  17.950  18.572
   78    HG2  GLN   9           HG2      GLN   9  -3.944  16.931  19.619
   79    HG3  GLN   9           HG3      GLN   9  -2.850  16.465  20.920
   80   HE21  GLN   9          HE21      GLN   9  -4.434  19.072  19.304
   81   HE22  GLN   9          HE22      GLN   9  -4.012  20.310  20.434
   82    H    ARG  10           H        ARG  10  -1.426  13.743  16.932
   83    HA   ARG  10           HA       ARG  10   1.060  14.862  15.842
   84    HB2  ARG  10           HB2      ARG  10   0.834  12.165  17.191
   85    HB3  ARG  10           HB3      ARG  10   2.273  12.815  16.417
   86    HG2  ARG  10           HG2      ARG  10   1.415  14.721  18.314
   87    HG3  ARG  10           HG3      ARG  10   1.377  13.139  19.097
   88    HD2  ARG  10           HD2      ARG  10   3.721  12.844  18.011
   89    HD3  ARG  10           HD3      ARG  10   3.686  14.602  17.883
   90    HE   ARG  10           HE       ARG  10   3.031  14.080  20.485
   91   HH11  ARG  10          HH11      ARG  10   5.702  13.289  18.397
   92   HH12  ARG  10          HH12      ARG  10   6.862  13.240  19.683
   93   HH21  ARG  10          HH21      ARG  10   4.549  14.018  22.187
   94   HH22  ARG  10          HH22      ARG  10   6.205  13.654  21.838
   95    H    CYS  11           H        CYS  11   1.946  13.595  14.046
   96    HA   CYS  11           HA       CYS  11   0.082  11.764  12.747
   97    HB2  CYS  11           HB2      CYS  11   0.956  14.413  11.611
   98    HB3  CYS  11           HB3      CYS  11   0.449  13.086  10.571
   99    H    VAL  12           H        VAL  12   1.124  10.122  11.815
  100    HA   VAL  12           HA       VAL  12   3.898  10.495  10.935
  101    HB   VAL  12           HB       VAL  12   4.349   8.148  11.890
  102   HG11  VAL  12          HG11      VAL  12   5.055   9.078  14.034
  103   HG12  VAL  12          HG12      VAL  12   5.404  10.196  12.714
  104   HG13  VAL  12          HG13      VAL  12   4.022  10.483  13.773
  105   HG21  VAL  12          HG21      VAL  12   2.028   8.948  13.643
  106   HG22  VAL  12          HG22      VAL  12   2.010   7.644  12.457
  107   HG23  VAL  12          HG23      VAL  12   3.068   7.541  13.864
  108    H    THR  13           H        THR  13   4.604   9.012   9.345
  109    HA   THR  13           HA       THR  13   2.417   7.920   7.755
  110    HB   THR  13           HB       THR  13   5.351   8.241   7.092
  111    HG1  THR  13           HG1      THR  13   4.703  10.039   5.996
  112   HG21  THR  13          HG21      THR  13   3.033   7.414   5.339
  113   HG22  THR  13          HG22      THR  13   4.363   6.379   5.859
  114   HG23  THR  13          HG23      THR  13   4.674   7.741   4.784
  115    H    TYR  14           H        TYR  14   2.027   5.805   7.483
  116    HA   TYR  14           HA       TYR  14   3.996   3.892   8.553
  117    HB2  TYR  14           HB2      TYR  14   1.083   4.153   9.056
  118    HB3  TYR  14           HB3      TYR  14   1.703   2.517   8.856
  119    HD1  TYR  14           HD1      TYR  14   2.437   5.661  10.733
  120    HD2  TYR  14           HD2      TYR  14   2.531   1.408  10.711
  121    HE1  TYR  14           HE1      TYR  14   3.197   5.671  13.072
  122    HE2  TYR  14           HE2      TYR  14   3.290   1.406  13.050
  123    HH   TYR  14           HH       TYR  14   4.663   3.686  14.540
  124    H    CYS  15           H        CYS  15   4.081   1.833   7.537
  125    HA   CYS  15           HA       CYS  15   2.728   1.626   4.941
  126    HB2  CYS  15           HB2      CYS  15   5.690   1.221   5.405
  127    HB3  CYS  15           HB3      CYS  15   4.843   0.830   3.912
  128    H    ARG  16           H        ARG  16   2.464  -0.502   4.157
  129    HA   ARG  16           HA       ARG  16   1.788  -2.428   6.016
  130    HB2  ARG  16           HB2      ARG  16   1.983  -4.049   4.049
  131    HB3  ARG  16           HB3      ARG  16   0.896  -2.680   3.854
  132    HG2  ARG  16           HG2      ARG  16   2.220  -1.671   2.289
  133    HG3  ARG  16           HG3      ARG  16   3.701  -2.398   2.914
  134    HD2  ARG  16           HD2      ARG  16   1.548  -4.003   1.560
  135    HD3  ARG  16           HD3      ARG  16   2.869  -3.247   0.671
  136    HE   ARG  16           HE       ARG  16   3.885  -4.805   2.799
  137   HH11  ARG  16          HH11      ARG  16   2.420  -5.097  -0.345
  138   HH12  ARG  16          HH12      ARG  16   3.168  -6.620  -0.696
  139   HH21  ARG  16          HH21      ARG  16   4.876  -6.809   2.349
  140   HH22  ARG  16          HH22      ARG  16   4.564  -7.593   0.837
  141    H    GLY  17           H        GLY  17   4.869  -1.881   4.410
  142    HA2  GLY  17           HA2      GLY  17   6.202  -4.238   4.964
  143    HA3  GLY  17           HA3      GLY  17   6.975  -2.661   4.896
  144    H    ARG  18           H        ARG  18   5.469  -1.579   7.138
  145    HA   ARG  18           HA       ARG  18   7.204  -2.096   9.221
  146    HB2  ARG  18           HB2      ARG  18   4.337  -1.147   9.314
  147    HB3  ARG  18           HB3      ARG  18   5.423  -1.123  10.697
  148    HG2  ARG  18           HG2      ARG  18   6.349   0.198   8.212
  149    HG3  ARG  18           HG3      ARG  18   5.064   0.983   9.132
  150    HD2  ARG  18           HD2      ARG  18   7.757   0.146  10.201
  151    HD3  ARG  18           HD3      ARG  18   7.264   1.793   9.813
  152    HE   ARG  18           HE       ARG  18   5.408   0.883  11.620
  153   HH11  ARG  18          HH11      ARG  18   8.864   1.294  11.565
  154   HH12  ARG  18          HH12      ARG  18   8.987   1.586  13.269
  155   HH21  ARG  18          HH21      ARG  18   5.557   1.266  13.863
  156   HH22  ARG  18          HH22      ARG  18   7.105   1.568  14.575
  157    HN1  NH2  19           H1       NH2  19   3.896  -3.384   8.853
  158    HN2  NH2  19           H2       NH2  19   4.088  -4.777   9.821
  Start of MODEL   18
    1    H    PCA   1           H        PCA   1   1.682  -0.164  -0.335
    2    HA   PCA   1           HA       PCA   1   0.699   1.857  -0.348
    3    HB2  PCA   1           HB2      PCA   1  -1.843   1.561   0.750
    4    HB3  PCA   1           HB3      PCA   1  -1.502   1.031  -0.906
    5    HG2  PCA   1           HG2      PCA   1  -1.429  -0.651   1.657
    6    HG3  PCA   1           HG3      PCA   1  -2.161  -1.067   0.091
    7    H    CYS   2           H        CYS   2   0.925   3.395   1.027
    8    HA   CYS   2           HA       CYS   2   1.352   2.704   3.856
    9    HB2  CYS   2           HB2      CYS   2   2.515   4.978   2.232
   10    HB3  CYS   2           HB3      CYS   2   2.834   4.679   3.938
   11    H    ARG   3           H        ARG   3   0.220   3.710   5.413
   12    HA   ARG   3           HA       ARG   3  -1.516   5.953   4.613
   13    HB2  ARG   3           HB2      ARG   3  -3.220   5.107   6.158
   14    HB3  ARG   3           HB3      ARG   3  -2.841   3.921   4.916
   15    HG2  ARG   3           HG2      ARG   3  -1.514   2.647   6.460
   16    HG3  ARG   3           HG3      ARG   3  -1.704   3.886   7.702
   17    HD2  ARG   3           HD2      ARG   3  -3.962   3.384   8.024
   18    HD3  ARG   3           HD3      ARG   3  -4.086   2.538   6.481
   19    HE   ARG   3           HE       ARG   3  -2.279   1.089   7.944
   20   HH11  ARG   3          HH11      ARG   3  -5.578   2.117   8.370
   21   HH12  ARG   3          HH12      ARG   3  -6.018   0.745   9.332
   22   HH21  ARG   3          HH21      ARG   3  -2.846  -0.722   9.209
   23   HH22  ARG   3          HH22      ARG   3  -4.463  -0.869   9.810
   24    H    ARG   4           H        ARG   4  -1.814   7.611   6.092
   25    HA   ARG   4           HA       ARG   4   0.265   7.812   8.118
   26    HB2  ARG   4           HB2      ARG   4  -0.515   9.631   6.367
   27    HB3  ARG   4           HB3      ARG   4  -1.712   9.991   7.604
   28    HG2  ARG   4           HG2      ARG   4   0.226  10.197   9.222
   29    HG3  ARG   4           HG3      ARG   4   1.277  10.171   7.805
   30    HD2  ARG   4           HD2      ARG   4  -0.995  12.114   8.170
   31    HD3  ARG   4           HD3      ARG   4   0.668  12.458   8.643
   32    HE   ARG   4           HE       ARG   4   0.936  11.750   6.062
   33   HH11  ARG   4          HH11      ARG   4  -1.183  13.992   7.677
   34   HH12  ARG   4          HH12      ARG   4  -1.301  15.060   6.318
   35   HH21  ARG   4          HH21      ARG   4   0.788  13.148   4.266
   36   HH22  ARG   4          HH22      ARG   4  -0.181  14.579   4.378
   37    H    LEU   5           H        LEU   5  -0.066   7.639  10.245
   38    HA   LEU   5           HA       LEU   5  -2.848   7.445  11.191
   39    HB2  LEU   5           HB2      LEU   5  -0.353   6.223  12.364
   40    HB3  LEU   5           HB3      LEU   5  -1.984   6.054  13.011
   41    HG   LEU   5           HG       LEU   5  -0.966   4.954  10.393
   42   HD11  LEU   5          HD11      LEU   5  -1.566   3.758  13.071
   43   HD12  LEU   5          HD12      LEU   5  -0.138   3.559  12.056
   44   HD13  LEU   5          HD13      LEU   5  -1.659   2.790  11.599
   45   HD21  LEU   5          HD21      LEU   5  -3.141   3.979  10.101
   46   HD22  LEU   5          HD22      LEU   5  -3.324   5.723  10.296
   47   HD23  LEU   5          HD23      LEU   5  -3.692   4.640  11.640
   48    H    CYS   6           H        CYS   6  -3.448   9.275  12.146
   49    HA   CYS   6           HA       CYS   6  -1.476  10.822  13.665
   50    HB2  CYS   6           HB2      CYS   6  -4.263  11.564  12.750
   51    HB3  CYS   6           HB3      CYS   6  -3.151  12.633  13.600
   52    H    TYR   7           H        TYR   7  -1.503  10.915  15.819
   53    HA   TYR   7           HA       TYR   7  -3.931  10.452  17.320
   54    HB2  TYR   7           HB2      TYR   7  -3.162   8.159  16.959
   55    HB3  TYR   7           HB3      TYR   7  -1.572   8.575  17.589
   56    HD1  TYR   7           HD1      TYR   7  -1.387   7.211  19.484
   57    HD2  TYR   7           HD2      TYR   7  -4.895   9.556  18.939
   58    HE1  TYR   7           HE1      TYR   7  -2.130   6.617  21.753
   59    HE2  TYR   7           HE2      TYR   7  -5.647   8.970  21.207
   60    HH   TYR   7           HH       TYR   7  -3.767   6.760  23.251
   61    H    LYS   8           H        LYS   8  -3.933  11.611  19.148
   62    HA   LYS   8           HA       LYS   8  -3.248  12.969  20.840
   63    HB2  LYS   8           HB2      LYS   8  -0.491  11.798  20.490
   64    HB3  LYS   8           HB3      LYS   8  -1.178  12.518  21.940
   65    HG2  LYS   8           HG2      LYS   8  -2.930  10.489  21.435
   66    HG3  LYS   8           HG3      LYS   8  -1.395   9.796  20.907
   67    HD2  LYS   8           HD2      LYS   8  -0.744  11.027  23.285
   68    HD3  LYS   8           HD3      LYS   8  -2.358  10.383  23.595
   69    HE2  LYS   8           HE2      LYS   8  -1.659   8.240  23.513
   70    HE3  LYS   8           HE3      LYS   8  -0.516   8.554  22.208
   71    HZ1  LYS   8           HZ1      LYS   8   0.164   8.074  24.767
   72    HZ2  LYS   8           HZ2      LYS   8   0.203   9.764  24.724
   73    HZ3  LYS   8           HZ3      LYS   8   1.148   8.868  23.644
   74    H    GLN   9           H        GLN   9  -3.518  14.357  18.680
   75    HA   GLN   9           HA       GLN   9  -2.853  16.151  17.440
   76    HB2  GLN   9           HB2      GLN   9  -0.963  16.757  19.704
   77    HB3  GLN   9           HB3      GLN   9  -1.794  17.891  18.649
   78    HG2  GLN   9           HG2      GLN   9  -3.940  17.203  19.658
   79    HG3  GLN   9           HG3      GLN   9  -3.049  16.165  20.769
   80   HE21  GLN   9          HE21      GLN   9  -3.052  17.052  22.701
   81   HE22  GLN   9          HE22      GLN   9  -2.767  18.718  23.059
   82    H    ARG  10           H        ARG  10  -1.420  13.709  16.949
   83    HA   ARG  10           HA       ARG  10   1.047  14.860  15.853
   84    HB2  ARG  10           HB2      ARG  10   0.861  12.149  17.180
   85    HB3  ARG  10           HB3      ARG  10   2.288  12.825  16.403
   86    HG2  ARG  10           HG2      ARG  10   1.373  14.681  18.348
   87    HG3  ARG  10           HG3      ARG  10   1.454  13.082  19.092
   88    HD2  ARG  10           HD2      ARG  10   3.776  12.957  17.925
   89    HD3  ARG  10           HD3      ARG  10   3.633  14.713  17.854
   90    HE   ARG  10           HE       ARG  10   3.097  14.122  20.451
   91   HH11  ARG  10          HH11      ARG  10   5.719  13.382  18.283
   92   HH12  ARG  10          HH12      ARG  10   6.912  13.324  19.536
   93   HH21  ARG  10          HH21      ARG  10   4.660  14.048  22.111
   94   HH22  ARG  10          HH22      ARG  10   6.309  13.702  21.713
   95    H    CYS  11           H        CYS  11   1.931  13.615  14.040
   96    HA   CYS  11           HA       CYS  11   0.071  11.780  12.741
   97    HB2  CYS  11           HB2      CYS  11   0.934  14.436  11.610
   98    HB3  CYS  11           HB3      CYS  11   0.410  13.113  10.573
   99    H    VAL  12           H        VAL  12   1.121  10.140  11.825
  100    HA   VAL  12           HA       VAL  12   3.877  10.532  10.902
  101    HB   VAL  12           HB       VAL  12   4.372   8.203  11.879
  102   HG11  VAL  12          HG11      VAL  12   5.369  10.326  12.657
  103   HG12  VAL  12          HG12      VAL  12   4.031  10.510  13.791
  104   HG13  VAL  12          HG13      VAL  12   5.150   9.155  13.957
  105   HG21  VAL  12          HG21      VAL  12   2.060   7.661  12.483
  106   HG22  VAL  12          HG22      VAL  12   3.127   7.612  13.887
  107   HG23  VAL  12          HG23      VAL  12   2.055   8.991  13.643
  108    H    THR  13           H        THR  13   4.578   9.038   9.319
  109    HA   THR  13           HA       THR  13   2.383   7.918   7.764
  110    HB   THR  13           HB       THR  13   5.314   8.217   7.081
  111    HG1  THR  13           HG1      THR  13   4.739  10.151   6.469
  112   HG21  THR  13          HG21      THR  13   4.291   6.339   5.887
  113   HG22  THR  13          HG22      THR  13   4.638   7.676   4.790
  114   HG23  THR  13          HG23      THR  13   2.987   7.392   5.341
  115    H    TYR  14           H        TYR  14   1.976   5.803   7.541
  116    HA   TYR  14           HA       TYR  14   3.938   3.899   8.646
  117    HB2  TYR  14           HB2      TYR  14   1.009   4.154   9.079
  118    HB3  TYR  14           HB3      TYR  14   1.655   2.523   8.939
  119    HD1  TYR  14           HD1      TYR  14   2.760   5.684  10.614
  120    HD2  TYR  14           HD2      TYR  14   1.993   1.515  10.978
  121    HE1  TYR  14           HE1      TYR  14   3.464   5.767  12.969
  122    HE2  TYR  14           HE2      TYR  14   2.693   1.587  13.335
  123    HH   TYR  14           HH       TYR  14   3.519   2.836  14.973
  124    H    CYS  15           H        CYS  15   4.043   1.830   7.658
  125    HA   CYS  15           HA       CYS  15   2.732   1.585   5.044
  126    HB2  CYS  15           HB2      CYS  15   5.688   1.194   5.554
  127    HB3  CYS  15           HB3      CYS  15   4.862   0.790   4.052
  128    H    ARG  16           H        ARG  16   2.428  -0.540   4.312
  129    HA   ARG  16           HA       ARG  16   1.789  -2.448   6.207
  130    HB2  ARG  16           HB2      ARG  16   1.909  -4.082   4.250
  131    HB3  ARG  16           HB3      ARG  16   0.835  -2.701   4.069
  132    HG2  ARG  16           HG2      ARG  16   2.148  -1.708   2.477
  133    HG3  ARG  16           HG3      ARG  16   3.622  -2.494   3.048
  134    HD2  ARG  16           HD2      ARG  16   2.892  -4.609   2.130
  135    HD3  ARG  16           HD3      ARG  16   1.347  -3.903   1.656
  136    HE   ARG  16           HE       ARG  16   3.202  -2.367   0.385
  137   HH11  ARG  16          HH11      ARG  16   2.517  -5.778   0.504
  138   HH12  ARG  16          HH12      ARG  16   3.090  -6.081  -1.103
  139   HH21  ARG  16          HH21      ARG  16   3.958  -2.754  -1.732
  140   HH22  ARG  16          HH22      ARG  16   3.911  -4.361  -2.373
  141    H    GLY  17           H        GLY  17   4.824  -1.929   4.505
  142    HA2  GLY  17           HA2      GLY  17   6.001  -4.317   5.700
  143    HA3  GLY  17           HA3      GLY  17   6.770  -3.247   4.536
  144    H    ARG  18           H        ARG  18   5.436  -3.023   7.840
  145    HA   ARG  18           HA       ARG  18   7.126  -0.925   8.649
  146    HB2  ARG  18           HB2      ARG  18   5.812  -3.021  10.388
  147    HB3  ARG  18           HB3      ARG  18   6.411  -1.454  10.917
  148    HG2  ARG  18           HG2      ARG  18   4.745  -0.475   9.223
  149    HG3  ARG  18           HG3      ARG  18   4.012  -2.081   9.243
  150    HD2  ARG  18           HD2      ARG  18   4.523  -0.433  11.712
  151    HD3  ARG  18           HD3      ARG  18   2.994  -0.440  10.835
  152    HE   ARG  18           HE       ARG  18   3.951  -2.439  12.636
  153   HH11  ARG  18          HH11      ARG  18   1.986  -1.902   9.814
  154   HH12  ARG  18          HH12      ARG  18   0.986  -3.291  10.084
  155   HH21  ARG  18          HH21      ARG  18   2.643  -4.271  13.004
  156   HH22  ARG  18          HH22      ARG  18   1.361  -4.638  11.900
  157    HN1  NH2  19           H1       NH2  19   7.258  -4.321   9.745
  158    HN2  NH2  19           H2       NH2  19   8.950  -4.425   9.950
  Start of MODEL   19
    1    H    PCA   1           H        PCA   1   1.621  -0.139  -0.398
    2    HA   PCA   1           HA       PCA   1   0.743   1.929  -0.411
    3    HB2  PCA   1           HB2      PCA   1  -1.825   1.757   0.654
    4    HB3  PCA   1           HB3      PCA   1  -1.491   1.221  -1.001
    5    HG2  PCA   1           HG2      PCA   1  -1.537  -0.477   1.552
    6    HG3  PCA   1           HG3      PCA   1  -2.267  -0.849  -0.026
    7    H    CYS   2           H        CYS   2   0.917   3.477   0.993
    8    HA   CYS   2           HA       CYS   2   1.359   2.737   3.807
    9    HB2  CYS   2           HB2      CYS   2   2.504   5.034   2.204
   10    HB3  CYS   2           HB3      CYS   2   2.813   4.744   3.912
   11    H    ARG   3           H        ARG   3   0.230   3.710   5.390
   12    HA   ARG   3           HA       ARG   3  -1.542   5.940   4.632
   13    HB2  ARG   3           HB2      ARG   3  -3.124   5.027   6.373
   14    HB3  ARG   3           HB3      ARG   3  -2.946   4.044   4.926
   15    HG2  ARG   3           HG2      ARG   3  -1.466   2.529   6.097
   16    HG3  ARG   3           HG3      ARG   3  -1.542   3.541   7.541
   17    HD2  ARG   3           HD2      ARG   3  -4.040   3.163   7.518
   18    HD3  ARG   3           HD3      ARG   3  -3.757   1.941   6.280
   19    HE   ARG   3           HE       ARG   3  -2.174   1.562   8.645
   20   HH11  ARG   3          HH11      ARG   3  -5.258   0.960   7.145
   21   HH12  ARG   3          HH12      ARG   3  -5.604  -0.434   8.114
   22   HH21  ARG   3          HH21      ARG   3  -2.618  -0.272   9.926
   23   HH22  ARG   3          HH22      ARG   3  -4.102  -1.133   9.696
   24    H    ARG   4           H        ARG   4  -1.856   7.578   6.137
   25    HA   ARG   4           HA       ARG   4   0.245   7.782   8.146
   26    HB2  ARG   4           HB2      ARG   4  -0.519   9.601   6.389
   27    HB3  ARG   4           HB3      ARG   4  -1.714   9.975   7.624
   28    HG2  ARG   4           HG2      ARG   4   0.209  10.188   9.245
   29    HG3  ARG   4           HG3      ARG   4   1.278  10.115   7.841
   30    HD2  ARG   4           HD2      ARG   4  -0.972  12.098   8.087
   31    HD3  ARG   4           HD3      ARG   4   0.661  12.428   8.664
   32    HE   ARG   4           HE       ARG   4   1.055  11.668   6.098
   33   HH11  ARG   4          HH11      ARG   4  -1.012  14.029   7.607
   34   HH12  ARG   4          HH12      ARG   4  -0.999  15.101   6.246
   35   HH21  ARG   4          HH21      ARG   4   1.079  13.071   4.301
   36   HH22  ARG   4          HH22      ARG   4   0.190  14.555   4.366
   37    H    LEU   5           H        LEU   5  -0.089   7.621  10.274
   38    HA   LEU   5           HA       LEU   5  -2.875   7.447  11.216
   39    HB2  LEU   5           HB2      LEU   5  -0.413   6.245  12.473
   40    HB3  LEU   5           HB3      LEU   5  -2.080   6.017  12.996
   41    HG   LEU   5           HG       LEU   5  -0.830   4.988  10.452
   42   HD11  LEU   5          HD11      LEU   5  -2.055   3.362  12.647
   43   HD12  LEU   5          HD12      LEU   5  -0.371   3.880  12.730
   44   HD13  LEU   5          HD13      LEU   5  -0.917   2.868  11.393
   45   HD21  LEU   5          HD21      LEU   5  -2.870   4.891   9.590
   46   HD22  LEU   5          HD22      LEU   5  -3.563   5.574  11.062
   47   HD23  LEU   5          HD23      LEU   5  -3.351   3.829  10.913
   48    H    CYS   6           H        CYS   6  -3.465   9.284  12.161
   49    HA   CYS   6           HA       CYS   6  -1.487  10.824  13.680
   50    HB2  CYS   6           HB2      CYS   6  -4.265  11.580  12.746
   51    HB3  CYS   6           HB3      CYS   6  -3.157  12.646  13.604
   52    H    TYR   7           H        TYR   7  -1.526  10.935  15.833
   53    HA   TYR   7           HA       TYR   7  -3.961  10.487  17.327
   54    HB2  TYR   7           HB2      TYR   7  -3.180   8.191  16.971
   55    HB3  TYR   7           HB3      TYR   7  -1.607   8.611  17.637
   56    HD1  TYR   7           HD1      TYR   7  -1.489   7.209  19.520
   57    HD2  TYR   7           HD2      TYR   7  -4.935   9.633  18.926
   58    HE1  TYR   7           HE1      TYR   7  -2.284   6.620  21.771
   59    HE2  TYR   7           HE2      TYR   7  -5.739   9.052  21.177
   60    HH   TYR   7           HH       TYR   7  -4.613   8.274  23.389
   61    H    LYS   8           H        LYS   8  -3.971  11.686  19.124
   62    HA   LYS   8           HA       LYS   8  -3.291  13.052  20.811
   63    HB2  LYS   8           HB2      LYS   8  -0.531  11.877  20.515
   64    HB3  LYS   8           HB3      LYS   8  -1.259  12.581  21.953
   65    HG2  LYS   8           HG2      LYS   8  -2.992  10.591  21.528
   66    HG3  LYS   8           HG3      LYS   8  -1.548   9.876  20.808
   67    HD2  LYS   8           HD2      LYS   8  -1.322   9.194  22.991
   68    HD3  LYS   8           HD3      LYS   8  -0.417  10.709  23.028
   69    HE2  LYS   8           HE2      LYS   8  -3.335  10.769  23.617
   70    HE3  LYS   8           HE3      LYS   8  -2.238  10.150  24.850
   71    HZ1  LYS   8           HZ1      LYS   8  -1.035  12.436  24.022
   72    HZ2  LYS   8           HZ2      LYS   8  -1.977  12.273  25.417
   73    HZ3  LYS   8           HZ3      LYS   8  -2.675  12.850  23.989
   74    H    GLN   9           H        GLN   9  -3.528  14.425  18.644
   75    HA   GLN   9           HA       GLN   9  -2.834  16.199  17.391
   76    HB2  GLN   9           HB2      GLN   9  -0.957  16.804  19.666
   77    HB3  GLN   9           HB3      GLN   9  -1.761  17.937  18.589
   78    HG2  GLN   9           HG2      GLN   9  -3.931  17.248  19.584
   79    HG3  GLN   9           HG3      GLN   9  -3.033  16.268  20.744
   80   HE21  GLN   9          HE21      GLN   9  -3.180  17.256  22.631
   81   HE22  GLN   9          HE22      GLN   9  -2.875  18.931  22.923
   82    H    ARG  10           H        ARG  10  -1.424  13.735  16.937
   83    HA   ARG  10           HA       ARG  10   1.069  14.848  15.855
   84    HB2  ARG  10           HB2      ARG  10   0.825  12.147  17.191
   85    HB3  ARG  10           HB3      ARG  10   2.269  12.789  16.419
   86    HG2  ARG  10           HG2      ARG  10   1.501  14.720  18.287
   87    HG3  ARG  10           HG3      ARG  10   1.308  13.165  19.097
   88    HD2  ARG  10           HD2      ARG  10   3.538  13.936  19.486
   89    HD3  ARG  10           HD3      ARG  10   3.615  12.576  18.367
   90    HE   ARG  10           HE       ARG  10   3.511  15.084  17.010
   91   HH11  ARG  10          HH11      ARG  10   5.624  12.881  18.683
   92   HH12  ARG  10          HH12      ARG  10   7.050  13.416  17.858
   93   HH21  ARG  10          HH21      ARG  10   5.382  15.797  15.916
   94   HH22  ARG  10          HH22      ARG  10   6.911  15.076  16.285
   95    H    CYS  11           H        CYS  11   1.950  13.585  14.052
   96    HA   CYS  11           HA       CYS  11   0.085  11.766  12.743
   97    HB2  CYS  11           HB2      CYS  11   0.962  14.417  11.611
   98    HB3  CYS  11           HB3      CYS  11   0.430  13.097  10.576
   99    H    VAL  12           H        VAL  12   1.130  10.130  11.807
  100    HA   VAL  12           HA       VAL  12   3.894  10.514  10.906
  101    HB   VAL  12           HB       VAL  12   4.369   8.174  11.871
  102   HG11  VAL  12          HG11      VAL  12   5.118   9.117  13.981
  103   HG12  VAL  12          HG12      VAL  12   5.405  10.257  12.664
  104   HG13  VAL  12          HG13      VAL  12   4.047  10.502  13.763
  105   HG21  VAL  12          HG21      VAL  12   3.111   7.527  13.819
  106   HG22  VAL  12          HG22      VAL  12   2.104   8.969  13.698
  107   HG23  VAL  12          HG23      VAL  12   2.001   7.716  12.461
  108    H    THR  13           H        THR  13   4.595   9.029   9.316
  109    HA   THR  13           HA       THR  13   2.402   7.919   7.751
  110    HB   THR  13           HB       THR  13   5.332   8.232   7.068
  111    HG1  THR  13           HG1      THR  13   4.362  10.232   7.091
  112   HG21  THR  13          HG21      THR  13   4.323   6.364   5.854
  113   HG22  THR  13          HG22      THR  13   4.646   7.717   4.770
  114   HG23  THR  13          HG23      THR  13   3.004   7.409   5.330
  115    H    TYR  14           H        TYR  14   2.008   5.803   7.500
  116    HA   TYR  14           HA       TYR  14   3.980   3.898   8.582
  117    HB2  TYR  14           HB2      TYR  14   1.066   4.160   9.070
  118    HB3  TYR  14           HB3      TYR  14   1.683   2.522   8.877
  119    HD1  TYR  14           HD1      TYR  14   2.578   5.667  10.698
  120    HD2  TYR  14           HD2      TYR  14   2.339   1.420  10.790
  121    HE1  TYR  14           HE1      TYR  14   3.328   5.682  13.040
  122    HE2  TYR  14           HE2      TYR  14   3.088   1.423  13.132
  123    HH   TYR  14           HH       TYR  14   4.464   3.022  14.623
  124    H    CYS  15           H        CYS  15   4.075   1.833   7.579
  125    HA   CYS  15           HA       CYS  15   2.743   1.615   4.973
  126    HB2  CYS  15           HB2      CYS  15   5.696   1.176   5.465
  127    HB3  CYS  15           HB3      CYS  15   4.856   0.816   3.961
  128    H    ARG  16           H        ARG  16   2.459  -0.513   4.207
  129    HA   ARG  16           HA       ARG  16   1.764  -2.424   6.072
  130    HB2  ARG  16           HB2      ARG  16   1.945  -4.056   4.117
  131    HB3  ARG  16           HB3      ARG  16   0.879  -2.674   3.904
  132    HG2  ARG  16           HG2      ARG  16   2.200  -1.718   2.320
  133    HG3  ARG  16           HG3      ARG  16   3.685  -2.402   2.986
  134    HD2  ARG  16           HD2      ARG  16   2.943  -3.336   0.763
  135    HD3  ARG  16           HD3      ARG  16   3.246  -4.522   2.032
  136    HE   ARG  16           HE       ARG  16   0.513  -3.762   1.982
  137   HH11  ARG  16          HH11      ARG  16   2.875  -5.693   0.304
  138   HH12  ARG  16          HH12      ARG  16   1.710  -6.820  -0.309
  139   HH21  ARG  16          HH21      ARG  16  -1.030  -5.239   1.181
  140   HH22  ARG  16          HH22      ARG  16  -0.511  -6.560   0.189
  141    H    GLY  17           H        GLY  17   4.854  -1.910   4.471
  142    HA2  GLY  17           HA2      GLY  17   5.983  -4.293   5.732
  143    HA3  GLY  17           HA3      GLY  17   6.783  -3.262   4.554
  144    H    ARG  18           H        ARG  18   5.165  -2.217   7.513
  145    HA   ARG  18           HA       ARG  18   7.192  -0.481   8.302
  146    HB2  ARG  18           HB2      ARG  18   4.694  -0.860   9.140
  147    HB3  ARG  18           HB3      ARG  18   5.517  -1.764  10.404
  148    HG2  ARG  18           HG2      ARG  18   6.539   0.946   9.787
  149    HG3  ARG  18           HG3      ARG  18   4.985   0.824  10.616
  150    HD2  ARG  18           HD2      ARG  18   7.582  -0.424  11.512
  151    HD3  ARG  18           HD3      ARG  18   6.827   1.010  12.208
  152    HE   ARG  18           HE       ARG  18   5.005  -1.128  12.292
  153   HH11  ARG  18          HH11      ARG  18   7.980  -0.068  13.758
  154   HH12  ARG  18          HH12      ARG  18   7.691  -0.895  15.251
  155   HH21  ARG  18          HH21      ARG  18   4.614  -2.222  14.255
  156   HH22  ARG  18          HH22      ARG  18   5.777  -2.122  15.533
  157    HN1  NH2  19           H1       NH2  19   6.453  -3.724   9.589
  158    HN2  NH2  19           H2       NH2  19   7.999  -4.072  10.226
  Start of MODEL   20
    1    H    PCA   1           H        PCA   1   1.650  -0.045  -0.466
    2    HA   PCA   1           HA       PCA   1   0.694   1.987  -0.440
    3    HB2  PCA   1           HB2      PCA   1  -1.849   1.705   0.658
    4    HB3  PCA   1           HB3      PCA   1  -1.519   1.201  -1.008
    5    HG2  PCA   1           HG2      PCA   1  -1.463  -0.528   1.523
    6    HG3  PCA   1           HG3      PCA   1  -2.203  -0.906  -0.048
    7    H    CYS   2           H        CYS   2   0.893   3.510   0.969
    8    HA   CYS   2           HA       CYS   2   1.357   2.758   3.776
    9    HB2  CYS   2           HB2      CYS   2   2.476   5.072   2.182
   10    HB3  CYS   2           HB3      CYS   2   2.800   4.771   3.885
   11    H    ARG   3           H        ARG   3   0.235   3.719   5.373
   12    HA   ARG   3           HA       ARG   3  -1.556   5.941   4.637
   13    HB2  ARG   3           HB2      ARG   3  -3.100   4.995   6.422
   14    HB3  ARG   3           HB3      ARG   3  -2.976   4.075   4.929
   15    HG2  ARG   3           HG2      ARG   3  -1.682   2.402   5.932
   16    HG3  ARG   3           HG3      ARG   3  -1.308   3.412   7.330
   17    HD2  ARG   3           HD2      ARG   3  -3.868   3.387   7.720
   18    HD3  ARG   3           HD3      ARG   3  -3.853   1.989   6.646
   19    HE   ARG   3           HE       ARG   3  -1.917   1.520   8.559
   20   HH11  ARG   3          HH11      ARG   3  -5.358   2.037   8.479
   21   HH12  ARG   3          HH12      ARG   3  -5.668   1.072   9.883
   22   HH21  ARG   3          HH21      ARG   3  -2.311   0.246  10.410
   23   HH22  ARG   3          HH22      ARG   3  -3.934   0.055  10.983
   24    H    ARG   4           H        ARG   4  -1.852   7.578   6.138
   25    HA   ARG   4           HA       ARG   4   0.247   7.767   8.153
   26    HB2  ARG   4           HB2      ARG   4  -0.510   9.593   6.394
   27    HB3  ARG   4           HB3      ARG   4  -1.696   9.974   7.635
   28    HG2  ARG   4           HG2      ARG   4   0.228  10.180   9.248
   29    HG3  ARG   4           HG3      ARG   4   1.299  10.082   7.848
   30    HD2  ARG   4           HD2      ARG   4  -0.934  12.083   7.996
   31    HD3  ARG   4           HD3      ARG   4   0.648  12.408   8.702
   32    HE   ARG   4           HE       ARG   4   1.219  11.644   6.160
   33   HH11  ARG   4          HH11      ARG   4  -0.873  14.051   7.555
   34   HH12  ARG   4          HH12      ARG   4  -0.732  15.139   6.215
   35   HH21  ARG   4          HH21      ARG   4   1.413  13.069   4.389
   36   HH22  ARG   4          HH22      ARG   4   0.569  14.579   4.414
   37    H    LEU   5           H        LEU   5  -0.092   7.618  10.281
   38    HA   LEU   5           HA       LEU   5  -2.880   7.454  11.217
   39    HB2  LEU   5           HB2      LEU   5  -0.433   6.247  12.493
   40    HB3  LEU   5           HB3      LEU   5  -2.108   6.013  12.989
   41    HG   LEU   5           HG       LEU   5  -0.822   5.001  10.455
   42   HD11  LEU   5          HD11      LEU   5  -0.437   3.912  12.799
   43   HD12  LEU   5          HD12      LEU   5  -0.804   2.908  11.397
   44   HD13  LEU   5          HD13      LEU   5  -2.073   3.298  12.557
   45   HD21  LEU   5          HD21      LEU   5  -3.557   5.575  11.032
   46   HD22  LEU   5          HD22      LEU   5  -3.348   3.827  10.917
   47   HD23  LEU   5          HD23      LEU   5  -2.855   4.865   9.579
   48    H    CYS   6           H        CYS   6  -3.465   9.294  12.159
   49    HA   CYS   6           HA       CYS   6  -1.484  10.826  13.682
   50    HB2  CYS   6           HB2      CYS   6  -4.255  11.592  12.738
   51    HB3  CYS   6           HB3      CYS   6  -3.148  12.653  13.603
   52    H    TYR   7           H        TYR   7  -1.526  10.933  15.836
   53    HA   TYR   7           HA       TYR   7  -3.967  10.500  17.324
   54    HB2  TYR   7           HB2      TYR   7  -3.204   8.199  16.971
   55    HB3  TYR   7           HB3      TYR   7  -1.626   8.609  17.635
   56    HD1  TYR   7           HD1      TYR   7  -1.513   7.212  19.520
   57    HD2  TYR   7           HD2      TYR   7  -4.952   9.645  18.923
   58    HE1  TYR   7           HE1      TYR   7  -2.309   6.629  21.773
   59    HE2  TYR   7           HE2      TYR   7  -5.756   9.070  21.175
   60    HH   TYR   7           HH       TYR   7  -5.437   7.180  22.816
   61    H    LYS   8           H        LYS   8  -3.973  11.692  19.126
   62    HA   LYS   8           HA       LYS   8  -3.289  13.053  20.816
   63    HB2  LYS   8           HB2      LYS   8  -0.537  11.857  20.515
   64    HB3  LYS   8           HB3      LYS   8  -1.251  12.576  21.953
   65    HG2  LYS   8           HG2      LYS   8  -3.007  10.594  21.523
   66    HG3  LYS   8           HG3      LYS   8  -1.553   9.866  20.835
   67    HD2  LYS   8           HD2      LYS   8  -1.546  11.152  23.550
   68    HD3  LYS   8           HD3      LYS   8  -2.023   9.468  23.322
   69    HE2  LYS   8           HE2      LYS   8   0.096   8.815  22.701
   70    HE3  LYS   8           HE3      LYS   8   0.542  10.425  22.140
   71    HZ1  LYS   8           HZ1      LYS   8   1.670   9.787  24.207
   72    HZ2  LYS   8           HZ2      LYS   8   0.174   9.668  24.988
   73    HZ3  LYS   8           HZ3      LYS   8   0.708  11.164  24.408
   74    H    GLN   9           H        GLN   9  -3.519  14.429  18.649
   75    HA   GLN   9           HA       GLN   9  -2.815  16.203  17.399
   76    HB2  GLN   9           HB2      GLN   9  -0.935  16.796  19.675
   77    HB3  GLN   9           HB3      GLN   9  -1.738  17.935  18.602
   78    HG2  GLN   9           HG2      GLN   9  -3.917  17.010  19.625
   79    HG3  GLN   9           HG3      GLN   9  -2.866  16.392  20.899
   80   HE21  GLN   9          HE21      GLN   9  -3.013  17.656  22.600
   81   HE22  GLN   9          HE22      GLN   9  -3.014  19.384  22.591
   82    H    ARG  10           H        ARG  10  -1.418  13.735  16.939
   83    HA   ARG  10           HA       ARG  10   1.081  14.838  15.861
   84    HB2  ARG  10           HB2      ARG  10   0.824  12.133  17.188
   85    HB3  ARG  10           HB3      ARG  10   2.271  12.774  16.421
   86    HG2  ARG  10           HG2      ARG  10   1.514  14.702  18.292
   87    HG3  ARG  10           HG3      ARG  10   1.302  13.147  19.099
   88    HD2  ARG  10           HD2      ARG  10   3.547  13.968  19.470
   89    HD3  ARG  10           HD3      ARG  10   3.596  12.527  18.455
   90    HE   ARG  10           HE       ARG  10   3.527  14.772  16.790
   91   HH11  ARG  10          HH11      ARG  10   5.648  13.244  19.091
   92   HH12  ARG  10          HH12      ARG  10   7.096  13.829  18.339
   93   HH21  ARG  10          HH21      ARG  10   5.427  15.545  15.792
   94   HH22  ARG  10          HH22      ARG  10   6.969  15.138  16.465
   95    H    CYS  11           H        CYS  11   1.956  13.575  14.057
   96    HA   CYS  11           HA       CYS  11   0.086  11.765  12.742
   97    HB2  CYS  11           HB2      CYS  11   0.973  14.415  11.608
   98    HB3  CYS  11           HB3      CYS  11   0.415  13.098  10.581
   99    H    VAL  12           H        VAL  12   1.135  10.123  11.828
  100    HA   VAL  12           HA       VAL  12   3.894  10.510  10.910
  101    HB   VAL  12           HB       VAL  12   4.369   8.168  11.876
  102   HG11  VAL  12          HG11      VAL  12   5.418  10.247  12.657
  103   HG12  VAL  12          HG12      VAL  12   4.065  10.503  13.762
  104   HG13  VAL  12          HG13      VAL  12   5.133   9.115  13.978
  105   HG21  VAL  12          HG21      VAL  12   3.117   7.502  13.803
  106   HG22  VAL  12          HG22      VAL  12   2.142   8.971  13.744
  107   HG23  VAL  12          HG23      VAL  12   1.980   7.753  12.479
  108    H    THR  13           H        THR  13   4.585   9.043   9.307
  109    HA   THR  13           HA       THR  13   2.389   7.920   7.756
  110    HB   THR  13           HB       THR  13   5.313   8.248   7.056
  111    HG1  THR  13           HG1      THR  13   4.667  10.220   6.667
  112   HG21  THR  13          HG21      THR  13   4.565   7.770   4.742
  113   HG22  THR  13          HG22      THR  13   2.967   7.365   5.371
  114   HG23  THR  13          HG23      THR  13   4.365   6.391   5.823
  115    H    TYR  14           H        TYR  14   2.008   5.801   7.498
  116    HA   TYR  14           HA       TYR  14   3.986   3.906   8.583
  117    HB2  TYR  14           HB2      TYR  14   1.069   4.148   9.049
  118    HB3  TYR  14           HB3      TYR  14   1.695   2.515   8.848
  119    HD1  TYR  14           HD1      TYR  14   2.538   5.653  10.705
  120    HD2  TYR  14           HD2      TYR  14   2.367   1.402  10.751
  121    HE1  TYR  14           HE1      TYR  14   3.272   5.655  13.053
  122    HE2  TYR  14           HE2      TYR  14   3.099   1.392  13.099
  123    HH   TYR  14           HH       TYR  14   2.974   3.948  15.075
  124    H    CYS  15           H        CYS  15   4.152   1.874   7.555
  125    HA   CYS  15           HA       CYS  15   2.798   1.609   4.966
  126    HB2  CYS  15           HB2      CYS  15   5.778   1.308   5.390
  127    HB3  CYS  15           HB3      CYS  15   4.920   0.942   3.897
  128    H    ARG  16           H        ARG  16   2.403  -0.484   4.311
  129    HA   ARG  16           HA       ARG  16   2.018  -2.441   6.218
  130    HB2  ARG  16           HB2      ARG  16   1.964  -4.036   4.223
  131    HB3  ARG  16           HB3      ARG  16   0.844  -2.681   4.193
  132    HG2  ARG  16           HG2      ARG  16   1.911  -1.653   2.464
  133    HG3  ARG  16           HG3      ARG  16   3.486  -2.325   2.892
  134    HD2  ARG  16           HD2      ARG  16   1.193  -3.861   1.673
  135    HD3  ARG  16           HD3      ARG  16   2.607  -3.270   0.801
  136    HE   ARG  16           HE       ARG  16   3.514  -4.838   2.916
  137   HH11  ARG  16          HH11      ARG  16   1.680  -5.209  -0.020
  138   HH12  ARG  16          HH12      ARG  16   2.168  -6.852  -0.270
  139   HH21  ARG  16          HH21      ARG  16   4.164  -7.001   2.596
  140   HH22  ARG  16          HH22      ARG  16   3.581  -7.871   1.218
  141    H    GLY  17           H        GLY  17   4.841  -1.823   4.212
  142    HA2  GLY  17           HA2      GLY  17   6.266  -4.173   4.574
  143    HA3  GLY  17           HA3      GLY  17   7.001  -2.588   4.373
  144    H    ARG  18           H        ARG  18   5.834  -1.489   6.799
  145    HA   ARG  18           HA       ARG  18   7.838  -2.401   8.640
  146    HB2  ARG  18           HB2      ARG  18   5.661  -0.323   8.806
  147    HB3  ARG  18           HB3      ARG  18   6.702  -0.702  10.171
  148    HG2  ARG  18           HG2      ARG  18   8.663  -0.158   8.706
  149    HG3  ARG  18           HG3      ARG  18   7.509   0.434   7.509
  150    HD2  ARG  18           HD2      ARG  18   6.606   1.802   9.582
  151    HD3  ARG  18           HD3      ARG  18   8.254   1.560  10.160
  152    HE   ARG  18           HE       ARG  18   8.095   2.561   7.468
  153   HH11  ARG  18          HH11      ARG  18   8.177   3.401  10.845
  154   HH12  ARG  18          HH12      ARG  18   8.781   5.000  10.567
  155   HH21  ARG  18          HH21      ARG  18   8.889   4.666   7.088
  156   HH22  ARG  18          HH22      ARG  18   9.184   5.720   8.430
  157    HN1  NH2  19           H1       NH2  19   6.789  -4.653   8.502
  158    HN2  NH2  19           H2       NH2  19   5.656  -5.074   9.708