*HEADER    TOXIN                                   13-SEP-14   2MUN              
*TITLE     SOLUTION STRUCTURE OF MU-SLPTX3-SSM6A                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MU-SCOLOPTOXIN-SSM6A;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 66-111;                                       
*COMPND   5 SYNONYM: MU-SLPTX-SSM6A;                                             
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SCOLOPENDRA MUTILANS;                           
*SOURCE   3 ORGANISM_COMMON: CHINESE RED-HEADED CENTIPEDE;                       
*SOURCE   4 ORGANISM_TAXID: 251420;                                              
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PLIC                                       
*KEYWDS    TOXIN, MU-SLPTX-SSM6A, CRUSTACEAN HYPERGLYCEMIC HORMONE, ION CHANNEL  
*KEYWDS   2 INHIBITOR                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    25                                                                    
*AUTHOR    E.A.B.UNDHEIM, G.F.KING, M.MOBLI                                      
*REVDAT   1   24-JUN-15 2MUN    0                                                


  2  ASP  PHI  -150.0   -22.0   1.00  #
  2  ASP  PSI    94.0   170.0   1.00  #
  3  ASN  PHI  -119.0   -55.0   1.00  #
  3  ASN  PSI    70.0   154.0   1.00  #
  4  LYS  PHI  -103.0   -31.0   1.00  #
  4  LYS  PSI   -47.0     5.0   1.00  #
  5  CYSS  PHI   -90.0   -50.0   1.00  #
  5  CYSS  PSI   -52.0     0.0   1.00  #
  6  GLU  PHI   -96.0   -52.0   1.00  #
  6  GLU  PSI   -52.0    -4.0   1.00  #
  7  ASN  PHI  -122.0   -70.0   1.00  #
  7  ASN  PSI   -30.0    34.0   1.00  #
  8  SER  PHI  -118.0   -42.0   1.00  #
  8  SER  PSI    67.0   147.0   1.00  #
  9  LEU  PHI   -69.0   -45.0   1.00  #
  9  LEU  PSI   -65.0   -13.0   1.00  #
  10  ARG  PHI   -71.0   -47.0   1.00  #
  10  ARG  PSI   -64.0   -12.0   1.00  #
  11  ARG  PHI   -70.0   -62.0   1.00  #
  11  ARG  PSI   -50.0   -34.0   1.00  #
  12  GLU  PHI   -72.0   -52.0   1.00  #
  12  GLU  PSI   -52.0   -32.0   1.00  #
  13  ILE  PHI   -93.0   -45.0   1.00  #
  13  ILE  PSI   -57.0   -21.0   1.00  #
  14  ALA  PHI   -70.0   -58.0   1.00  #
  14  ALA  PSI   -52.0   -36.0   1.00  #
  15  CYSS  PHI   -76.0   -56.0   1.00  #
  15  CYSS  PSI   -46.0   -22.0   1.00  #
  16  GLY  PHI   -77.0   -53.0   1.00  #
  16  GLY  PSI   -47.0   -31.0   1.00  #
  17  GLN  PHI   -71.0   -51.0   1.00  #
  17  GLN  PSI   -63.0   -19.0   1.00  #
  18  CYSS  PHI   -69.0   -57.0   1.00  #
  18  CYSS  PSI   -48.0   -32.0   1.00  #
  19  ARG  PHI   -72.0   -56.0   1.00  #
  19  ARG  PSI   -53.0   -37.0   1.00  #
  20  ASP  PHI   -82.0   -54.0   1.00  #
  20  ASP  PSI   -56.0    12.0   1.00  #
  21  LYS  PHI   -99.0   -35.0   1.00  #
  21  LYS  PSI   -64.0   -20.0   1.00  #
  22  VAL  PHI  -100.0   -52.0   1.00  #
  22  VAL  PSI   -76.0     4.0   1.00  #
  24  THR  PHI  -151.0   -47.0   1.00  #
  24  THR  PSI   116.0   168.0   1.00  #
  25  ASP  PHI   -76.0   -40.0   1.00  #
  25  ASP  PSI   122.0   146.0   1.00  #
  26  GLY  PHI   -86.0   -54.0   1.00  #
  26  GLY  PSI   -67.0     5.0   1.00  #
  27  TYR  PHI   -69.0   -49.0   1.00  #
  27  TYR  PSI   -63.0   -27.0   1.00  #
  28  PHE  PHI   -69.0   -53.0   1.00  #
  28  PHE  PSI   -54.0   -38.0   1.00  #
  29  TYR  PHI   -75.0   -47.0   1.00  #
  29  TYR  PSI   -58.0   -22.0   1.00  #
  30  GLU  PHI   -75.0   -51.0   1.00  #
  30  GLU  PSI   -54.0   -30.0   1.00  #
  31  CYSS  PHI   -77.0   -49.0   1.00  #
  31  CYSS  PSI   -56.0   -28.0   1.00  #
  32  CYSS  PHI  -102.0   -42.0   1.00  #
  32  CYSS  PSI   -67.0     5.0   1.00  #
  33  THR  PHI  -137.0   -73.0   1.00  #
  33  THR  PSI   -24.0    20.0   1.00  #
  34  SER  PHI  -134.0   -42.0   1.00  #
  34  SER  PSI    80.0   152.0   1.00  #
  35  ASP  PHI   -66.0   -50.0   1.00  #
  35  ASP  PSI   -62.0    -6.0   1.00  #
  36  SER  PHI   -76.0   -56.0   1.00  #
  36  SER  PSI   -53.0   -21.0   1.00  #
  37  THR  PHI   -83.0   -51.0   1.00  #
  37  THR  PSI   -54.0   -26.0   1.00  #
  38  PHE  PHI   -73.0   -61.0   1.00  #
  38  PHE  PSI   -52.0   -32.0   1.00  #
  39  LYS  PHI   -67.0   -51.0   1.00  #
  39  LYS  PSI   -54.0   -30.0   1.00  #
  40  LYS  PHI   -75.0   -51.0   1.00  #
  40  LYS  PSI   -52.0   -32.0   1.00  #
  41  CYSS  PHI   -75.0   -55.0   1.00  #
  41  CYSS  PSI   -58.0   -26.0   1.00  #
  42  GLN  PHI   -76.0   -48.0   1.00  #
  42  GLN  PSI   -56.0   -20.0   1.00  #
  43  ASP  PHI   -71.0   -55.0   1.00  #
  43  ASP  PSI   -52.0   -32.0   1.00  #
  44  LEU  PHI   -78.0   -54.0   1.00  #
  44  LEU  PSI   -52.0   -12.0   1.00  #
   5 CYSS SG     32 CYSS SG      1.98     5.0 
   5 CYSS SG     32 CYSS CB      2.90     5.0 
   5 CYSS CB     32 CYSS SG      2.90     5.0 
  15 CYSS SG     31 CYSS SG      1.98     5.0 
  15 CYSS SG     31 CYSS CB      2.90     5.0 
  15 CYSS CB     31 CYSS SG      2.90     5.0 
  18 CYSS SG     41 CYSS SG      1.98     5.0 
  18 CYSS SG     41 CYSS CB      2.90     5.0 
  18 CYSS CB     41 CYSS SG      2.90     5.0 
   5 CYSS SG     32 CYSS SG      2.10     5.0 
   5 CYSS SG     32 CYSS CB      3.10     5.0 
   5 CYSS CB     32 CYSS SG      3.10     5.0 
  15 CYSS SG     31 CYSS SG      2.10     5.0 
  15 CYSS SG     31 CYSS CB      3.10     5.0 
  15 CYSS CB     31 CYSS SG      3.10     5.0 
  18 CYSS SG     41 CYSS SG      2.10     5.0 
  18 CYSS SG     41 CYSS CB      3.10     5.0 
  18 CYSS CB     41 CYSS SG      3.10     5.0 

 23 LYS  H      23 LYS  HA      2.71            #peak 23 #SUP 0.93 #QF 0.93
 37 THR  H      37 THR  HB      2.75            #peak 32 #SUP 0.61 #QF 0.61
 43 ASP  HA     46 HIS  H       3.67            #peak 42 #SUP 0.95 #QF 0.26
 15 CYSS H      15 CYSS HB2     3.79            #peak 75 #SUP 0.81 #QF 0.81
 15 CYSS H      15 CYSS HB3     3.79            #peak 76 #SUP 0.89 #QF 0.89
  9 LEU  H       9 LEU  HG      3.04            #peak 79 #SUP 0.73 #QF 0.73
 38 PHE  H      38 PHE  HB2     3.02            #peak 85 #SUP 0.90 #QF 0.90
 41 CYSS H      41 CYSS HB2     3.19            #peak 88 #SUP 0.89 #QF 0.89
 41 CYSS H      41 CYSS HB3     3.06            #peak 89 #SUP 0.87 #QF 0.87
  5 CYSS H       5 CYSS HB2     3.60            #peak 90 #SUP 0.72 #QF 0.72
  5 CYSS H       5 CYSS HB3     3.60            #peak 91 #SUP 0.87 #QF 0.87
 46 HIS  H      46 HIS  HB2     3.65            #peak 93 #SUP 0.80 #QF 0.80
 46 HIS  H      46 HIS  HB3     3.65            #peak 94 #SUP 0.90 #QF 0.90
 24 THR  H      24 THR  HB      3.53            #peak 95 #SUP 0.91 #QF 0.91
 24 THR  H      24 THR  QG2     3.94            #peak 96 #SUP 0.95 #QF 0.95
 33 THR  H      33 THR  HB      4.02            #peak 101 #SUP 0.96 #QF 0.96
 38 PHE  H      38 PHE  HB3     3.02            #peak 109 #SUP 0.91 #QF 0.91
 18 CYSS H      18 CYSS HB2     3.22            #peak 173 #SUP 0.95 #QF 0.95
  8 SER  HA      9 LEU  H       2.88            #peak 176 #SUP 0.50 #QF 0.50
 11 ARG  HA     14 ALA  H       4.13            #peak 180 #SUP 0.77 #QF 0.77
 16 GLY  HA3    17 GLN  H       3.15            #peak 184 #SUP 0.89 #QF 0.89
 34 SER  HA     35 ASP  H       2.71            #peak 190 #SUP 0.74 #QF 0.74
 22 VAL  HA     23 LYS  H       3.49            #peak 191 #SUP 0.78 #QF 0.78
 23 LYS  HA     24 THR  H       3.34            #peak 192 #SUP 0.97 #QF 0.97
 24 THR  HA     25 ASP  H       2.83            #peak 193 #SUP 0.97 #QF 0.87
 25 ASP  HA     26 GLY  H       2.79            #peak 194 #SUP 0.49 #QF 0.49
 19 ARG  HA     28 PHE  H       4.33            #peak 197 #SUP 1.00 #QF 0.28
  6 GLU  H       6 GLU  QG      3.97            #peak 200 #SUP 0.82 #QF 0.82
  6 GLU  H       6 GLU  HB3     3.51            #peak 201 #SUP 0.85 #QF 0.85
  7 ASN  H       7 ASN  HB3     4.15            #peak 203 #SUP 0.90 #QF 0.90
 10 ARG  H      10 ARG  QD      4.54            #peak 205 #SUP 0.98 #QF 0.98
 10 ARG  HB2    11 ARG  H       3.26            #peak 206 #SUP 0.95 #QF 0.53
 11 ARG  H      11 ARG  HB2     3.44            #peak 206 #SUP 0.95 #QF 0.53
 11 ARG  H      11 ARG  HB3     3.44            #peak 207 #SUP 0.90 #QF 0.90
 14 ALA  H      14 ALA  QB      2.71            #peak 208 #SUP 0.92 #QF 0.92
 17 GLN  H      17 GLN  HG3     3.58            #peak 210 #SUP 0.94 #QF 0.94
 17 GLN  H      17 GLN  HB3     3.60            #peak 211 #SUP 0.97 #QF 0.97
 17 GLN  H      17 GLN  HG2     3.58            #peak 213 #SUP 0.95 #QF 0.95
 17 GLN  H      17 GLN  HB2     2.79            #peak 214 #SUP 0.94 #QF 0.94
 20 ASP  H      20 ASP  QB      2.83            #peak 215 #SUP 0.85 #QF 0.85
 12 GLU  H      13 ILE  HB      5.03            #peak 217 #SUP 0.96 #QF 0.96
 13 ILE  H      13 ILE  HB      2.68            #peak 218 #SUP 0.93 #QF 0.93
 13 ILE  H      13 ILE  QG2     3.83            #peak 219 #SUP 0.99 #QF 0.99
 23 LYS  H      23 LYS  QE      5.50            #peak 220 #SUP 0.87 #QF 0.87
 23 LYS  H      23 LYS  QB      3.34            #peak 221 #SUP 1.00
 22 VAL  HB     23 LYS  H       3.15            #peak 224 #SUP 0.74 #QF 0.74
 27 TYR  H      27 TYR  HB3     2.98            #peak 228 #SUP 0.84 #QF 0.84
 29 TYR  H      29 TYR  HB3     3.64            #peak 229 #SUP 0.89 #QF 0.89
  4 LYS  H       4 LYS  HB3     3.90            #peak 230 #SUP 0.97 #QF 0.97
  4 LYS  H       4 LYS  HB2     3.11            #peak 232 #SUP 0.93 #QF 0.77
 31 CYSS H      31 CYSS HB2     3.75            #peak 233 #SUP 0.78 #QF 0.78
 32 CYSS H      32 CYSS HB3     3.67            #peak 234 #SUP 0.98 #QF 0.98
 32 CYSS H      32 CYSS HB2     3.23            #peak 235 #SUP 0.92 #QF 0.92
 35 ASP  H      35 ASP  HB2     3.76            #peak 236 #SUP 0.93 #QF 0.93
 35 ASP  H      35 ASP  HB3     3.76            #peak 237 #SUP 0.85 #QF 0.85
 37 THR  H      37 THR  QG2     4.00            #peak 238 #SUP 0.99 #QF 0.99
 39 LYS  H      39 LYS  QB      2.59            #peak 239 #SUP 0.88 #QF 0.88
 39 LYS  H      40 LYS  QD      4.45            #peak 240 #SUP 0.49 #QF 0.49
 43 ASP  H      43 ASP  HB3     2.90            #peak 246 #SUP 0.79 #QF 0.79
 43 ASP  H      43 ASP  HB2     3.36            #peak 247 #SUP 0.95 #QF 0.95
  1 ALA  HA      2 ASP  H       3.05            #peak 253 #SUP 0.62 #QF 0.62
  2 ASP  H       2 ASP  HB3     3.88            #peak 254 #SUP 0.88 #QF 0.88
  2 ASP  H       2 ASP  HB2     3.88            #peak 255 #SUP 0.98 #QF 0.98
  1 ALA  QB      2 ASP  H       3.78            #peak 256 #SUP 1.00
  2 ASP  H       3 ASN  H       4.59            #peak 259 #SUP 0.98 #QF 0.98
  3 ASN  H       3 ASN  HB2     3.48            #peak 261 #SUP 0.80 #QF 0.80
  3 ASN  H       3 ASN  HB3     3.48            #peak 262 #SUP 0.86 #QF 0.86
  1 ALA  QB      3 ASN  H       5.50            #peak 264 #SUP 0.84 #QF 0.68
  3 ASN  H      33 THR  QG2     4.41            #peak 265 #SUP 0.91 #QF 0.91
  2 ASP  HA      3 ASN  H       2.69            #peak 266 #SUP 0.52 #QF 0.52
  4 LYS  H      33 THR  QG2     3.74            #peak 271 #SUP 0.97 #QF 0.97
  5 CYSS H       6 GLU  H       3.15            #peak 274 #SUP 0.98 #QF 0.98
  5 CYSS H       7 ASN  H       4.63            #peak 275 #SUP 0.90 #QF 0.90
  4 LYS  H       5 CYSS HA      5.50            #peak 278 #SUP 0.93 #QF 0.90
  4 LYS  H      33 THR  HB      5.50            #peak 278 #SUP 0.93 #QF 0.90
  3 ASN  HA      4 LYS  H       2.68            #peak 280 #SUP 0.50 #QF 0.50
  4 LYS  H      33 THR  HA      4.00            #peak 281 #SUP 0.72 #QF 0.72
  4 LYS  H       6 GLU  H       4.24            #peak 282 #SUP 0.97 #QF 0.97
  3 ASN  H       4 LYS  H       4.69            #peak 284 #SUP 0.93 #QF 0.93
  5 CYSS H      32 CYSS HB3     3.46            #peak 285 #SUP 0.55 #QF 0.55
  3 ASN  HA      5 CYSS H       4.03            #peak 287 #SUP 0.70 #QF 0.70
  5 CYSS H      32 CYSS HB2     5.50            #peak 288 #SUP 0.75 #QF 0.36
  4 LYS  HB3     5 CYSS H       4.76            #peak 289 #SUP 0.79 #QF 0.79
  4 LYS  HB2     5 CYSS H       3.95            #peak 290 #SUP 0.86 #QF 0.79
  6 GLU  H       6 GLU  HB2     3.51            #peak 292 #SUP 0.97 #QF 0.97
  5 CYSS HB3     6 GLU  H       4.34            #peak 294 #SUP 0.95 #QF 0.95
  5 CYSS HB2     6 GLU  H       4.34            #peak 295 #SUP 0.78 #QF 0.78
  4 LYS  HA      6 GLU  H       4.34            #peak 298 #SUP 0.96 #QF 0.96
  6 GLU  H       7 ASN  H       3.38            #peak 299 #SUP 0.89 #QF 0.89
  6 GLU  HB2     7 ASN  H       4.11            #peak 304 #SUP 0.77 #QF 0.56
  6 GLU  HB3     7 ASN  H       4.11            #peak 304 #SUP 0.77 #QF 0.56
  4 LYS  HA      7 ASN  H       4.05            #peak 306 #SUP 0.63 #QF 0.63
  7 ASN  H       8 SER  H       2.82            #peak 310 #SUP 0.98 #QF 0.85
  6 GLU  HA      8 SER  H       4.81            #peak 312 #SUP 0.76 #QF 0.76
  7 ASN  HB2     8 SER  H       4.70            #peak 313 #SUP 0.98 #QF 0.98
  7 ASN  HB3     8 SER  H       4.70            #peak 314 #SUP 1.00
  8 SER  H      11 ARG  HB2     5.18            #peak 315 #SUP 0.92 #QF 0.92
  8 SER  H       9 LEU  H       4.48            #peak 319 #SUP 0.89 #QF 0.89
  5 CYSS HA      8 SER  H       3.70            #peak 320 #SUP 0.74 #QF 0.74
  9 LEU  H       9 LEU  QD1     4.25            #peak 326 #SUP 1.00
  8 SER  HB2     9 LEU  H       5.05            #peak 329 #SUP 0.91 #QF 0.73
  8 SER  HB3     9 LEU  H       5.05            #peak 329 #SUP 0.91 #QF 0.73
  9 LEU  QD2    10 ARG  H       4.22            #peak 331 #SUP 0.85 #QF 0.85
  8 SER  HB2    10 ARG  H       5.50            #peak 332 #SUP 0.95 #QF 0.90
  8 SER  HB3    10 ARG  H       5.50            #peak 332 #SUP 0.95 #QF 0.90
  8 SER  HA     10 ARG  H       4.95            #peak 333 #SUP 0.77 #QF 0.77
  9 LEU  H      10 ARG  H       3.34            #peak 337 #SUP 0.88 #QF 0.88
 11 ARG  H      12 GLU  H       3.18            #peak 338 #SUP 0.77 #QF 0.77
 10 ARG  H      11 ARG  H       3.43            #peak 339 #SUP 0.90 #QF 0.90
 11 ARG  H      11 ARG  HG2     4.90            #peak 343 #SUP 0.97 #QF 0.97
  8 SER  HB2    11 ARG  H       4.85            #peak 345 #SUP 0.92 #QF 0.87
  8 SER  HB3    11 ARG  H       4.85            #peak 345 #SUP 0.92 #QF 0.87
  9 LEU  QD1    12 GLU  H       5.30            #peak 350 #SUP 0.32 #QF 0.32
 10 ARG  HA     12 GLU  H       4.86            #peak 352 #SUP 0.93 #QF 0.93
  5 CYSS HA     12 GLU  H       3.83            #peak 353 #SUP 1.00 #QF 0.95
  8 SER  H      12 GLU  H       5.50            #peak 360 #SUP 0.96 #QF 0.96
 12 GLU  H      13 ILE  H       3.07            #peak 365 #SUP 0.70 #QF 0.70
 11 ARG  H      13 ILE  H       4.85            #peak 366 #SUP 0.78 #QF 0.78
 12 GLU  HB3    13 ILE  H       2.92            #peak 367 #SUP 0.63 #QF 0.63
 10 ARG  HA     13 ILE  H       4.06            #peak 368 #SUP 0.99 #QF 0.99
  9 LEU  HA     13 ILE  H       4.61            #peak 369 #SUP 0.80 #QF 0.80
 13 ILE  H      14 ALA  QB      4.36            #peak 370 #SUP 0.79 #QF 0.79
 13 ILE  H      13 ILE  HG12    3.60            #peak 371 #SUP 0.87 #QF 0.87
 13 ILE  QG2    14 ALA  H       3.91            #peak 373 #SUP 1.00
 13 ILE  QD1    14 ALA  H       4.70            #peak 374 #SUP 0.84 #QF 0.84
 13 ILE  HG12   14 ALA  H       5.21            #peak 375 #SUP 1.00
 13 ILE  HB     14 ALA  H       3.14            #peak 376 #SUP 0.95 #QF 0.95
 13 ILE  HG13   14 ALA  H       4.41            #peak 377 #SUP 0.98 #QF 0.98
 10 ARG  HA     14 ALA  H       4.50            #peak 379 #SUP 0.97 #QF 0.97
 14 ALA  H      16 GLY  H       4.48            #peak 381 #SUP 0.94 #QF 0.94
 13 ILE  H      14 ALA  H       3.38            #peak 382 #SUP 0.97 #QF 0.97
 11 ARG  HA     15 CYSS H       4.32            #peak 386 #SUP 0.87 #QF 0.87
 15 CYSS H      38 PHE  QE      4.41            #peak 387 #SUP 0.87 #QF 0.87
 14 ALA  H      15 CYSS H       3.38            #peak 388 #SUP 0.83 #QF 0.83
 12 GLU  HA     16 GLY  H       4.23            #peak 391 #SUP 0.37 #QF 0.37
 13 ILE  HA     16 GLY  H       3.81            #peak 392 #SUP 0.38 #QF 0.38
 15 CYSS HB2    16 GLY  H       4.16            #peak 394 #SUP 0.84 #QF 0.84
 15 CYSS HB3    16 GLY  H       4.16            #peak 395 #SUP 0.90 #QF 0.90
 14 ALA  QB     16 GLY  H       4.67            #peak 397 #SUP 0.90 #QF 0.90
 16 GLY  H      28 PHE  QD      4.52            #peak 398 #SUP 0.66 #QF 0.66
 16 GLY  H      28 PHE  QE      3.72            #peak 399 #SUP 0.67 #QF 0.67
 16 GLY  H      17 GLN  H       3.21            #peak 400 #SUP 0.97 #QF 0.97
 15 CYSS H      16 GLY  H       3.52            #peak 402 #SUP 0.92 #QF 0.92
 16 GLY  H      19 ARG  H       5.02            #peak 403 #SUP 0.99 #QF 0.99
 17 GLN  H      45 LEU  QD1     4.77            #peak 405 #SUP 0.86 #QF 0.86
 14 ALA  QB     17 GLN  H       5.08            #peak 406 #SUP 0.96 #QF 0.96
 15 CYSS H      17 GLN  H       4.49            #peak 410 #SUP 0.93 #QF 0.93
 17 GLN  H      18 CYSS H       3.24            #peak 411 #SUP 0.97 #QF 0.97
 16 GLY  HA2    18 CYSS H       5.48            #peak 412 #SUP 0.96 #QF 0.85
 18 CYSS H      19 ARG  HA      5.50            #peak 412 #SUP 0.96 #QF 0.85
 18 CYSS H      18 CYSS HB3     3.62            #peak 413 #SUP 0.86 #QF 0.86
 17 GLN  HB2    18 CYSS H       3.30            #peak 414 #SUP 0.93 #QF 0.93
 17 GLN  HB3    18 CYSS H       3.84            #peak 415 #SUP 0.90 #QF 0.90
 18 CYSS H      45 LEU  QD1     4.01            #peak 416 #SUP 0.88 #QF 0.88
 18 CYSS H      45 LEU  QD2     4.25            #peak 417 #SUP 0.99 #QF 0.99
 15 CYSS HA     18 CYSS H       4.33            #peak 418 #SUP 0.96 #QF 0.96
 18 CYSS H      27 TYR  QE      5.04            #peak 419 #SUP 0.99 #QF 0.99
 18 CYSS H      19 ARG  H       3.60            #peak 423 #SUP 0.97 #QF 0.97
 18 CYSS HB3    19 ARG  H       3.97            #peak 424 #SUP 0.98 #QF 0.98
 19 ARG  H      28 PHE  QB      4.94            #peak 426 #SUP 0.59 #QF 0.59
 19 ARG  H      20 ASP  QB      5.38            #peak 428 #SUP 0.85 #QF 0.72
 19 ARG  H      27 TYR  HB3     5.50            #peak 428 #SUP 0.85 #QF 0.72
 19 ARG  H      19 ARG  HB3     3.09            #peak 429 #SUP 0.92 #QF 0.92
 19 ARG  H      19 ARG  HB2     3.09            #peak 430 #SUP 0.97 #QF 0.97
 19 ARG  H      22 VAL  QG2     4.88            #peak 432 #SUP 0.88 #QF 0.88
 17 GLN  H      19 ARG  H       4.97            #peak 433 #SUP 0.97 #QF 0.56
 19 ARG  H      27 TYR  QD      4.29            #peak 435 #SUP 0.88 #QF 0.77
 19 ARG  H      27 TYR  QE      4.84            #peak 435 #SUP 0.88 #QF 0.77
 19 ARG  H      20 ASP  H       3.55            #peak 437 #SUP 1.00
 20 ASP  H      22 VAL  H       4.76            #peak 439 #SUP 0.88 #QF 0.88
 20 ASP  H      21 LYS  H       3.29            #peak 441 #SUP 0.82 #QF 0.82
 17 GLN  HA     20 ASP  H       3.95            #peak 444 #SUP 0.87 #QF 0.87
 18 CYSS HA     20 ASP  H       5.08            #peak 445 #SUP 0.96 #QF 0.96
 18 CYSS HB2    20 ASP  H       5.50            #peak 446 #SUP 0.95 #QF 0.92
 19 ARG  HB3    20 ASP  H       3.22            #peak 447 #SUP 0.90 #QF 0.90
 19 ARG  HB2    20 ASP  H       4.10            #peak 448 #SUP 0.78 #QF 0.78
 20 ASP  H      21 LYS  HB2     4.72            #peak 449 #SUP 0.92 #QF 0.92
 21 LYS  H      21 LYS  HB3     3.68            #peak 453 #SUP 0.97 #QF 0.97
 21 LYS  H      21 LYS  HB2     3.14            #peak 454 #SUP 0.94 #QF 0.94
 21 LYS  H      22 VAL  QG2     4.38            #peak 460 #SUP 0.80 #QF 0.80
 20 ASP  QB     21 LYS  H       3.52            #peak 461 #SUP 0.92 #QF 0.92
 18 CYSS HA     21 LYS  H       3.81            #peak 462 #SUP 0.96 #QF 0.96
 19 ARG  H      21 LYS  H       5.33            #peak 466 #SUP 0.99 #QF 0.99
 22 VAL  H      22 VAL  HB      2.99            #peak 470 #SUP 0.92 #QF 0.92
 22 VAL  H      22 VAL  QG1     3.86            #peak 471 #SUP 0.99 #QF 0.99
 22 VAL  H      22 VAL  QG2     2.91            #peak 472 #SUP 0.83 #QF 0.83
 21 LYS  HB2    22 VAL  H       3.22            #peak 475 #SUP 0.94 #QF 0.94
 21 LYS  HB3    22 VAL  H       3.36            #peak 476 #SUP 0.93 #QF 0.93
 18 CYSS HB3    22 VAL  H       4.31            #peak 477 #SUP 0.46 #QF 0.46
 21 LYS  H      22 VAL  H       2.92            #peak 479 #SUP 0.88 #QF 0.88
 22 VAL  QG1    23 LYS  H       3.82            #peak 481 #SUP 0.88 #QF 0.88
 22 VAL  QG2    23 LYS  H       4.06            #peak 482 #SUP 0.90 #QF 0.90
 23 LYS  H      24 THR  H       3.47            #peak 485 #SUP 0.92 #QF 0.92
 23 LYS  QB     24 THR  H       3.93            #peak 486 #SUP 0.99 #QF 0.99
 22 VAL  QG1    24 THR  H       3.42            #peak 487 #SUP 0.84 #QF 0.84
 24 THR  H      27 TYR  HB2     4.14            #peak 489 #SUP 0.96 #QF 0.96
 24 THR  H      27 TYR  HB3     4.67            #peak 490 #SUP 0.99 #QF 0.99
 19 ARG  HA     24 THR  H       5.10            #peak 491 #SUP 0.95 #QF 0.95
 24 THR  H      27 TYR  QD      4.92            #peak 492 #SUP 0.62 #QF 0.62
 24 THR  QG2    25 ASP  H       3.52            #peak 498 #SUP 0.91 #QF 0.91
 24 THR  H      25 ASP  H       4.40            #peak 501 #SUP 0.99 #QF 0.99
 24 THR  QG2    27 TYR  H       4.35            #peak 508 #SUP 0.63 #QF 0.63
 27 TYR  H      27 TYR  HB2     2.92            #peak 509 #SUP 0.94 #QF 0.94
 27 TYR  H      28 PHE  QB      4.88            #peak 511 #SUP 0.99 #QF 0.99
 25 ASP  HA     27 TYR  H       3.82            #peak 512 #SUP 0.54 #QF 0.54
 27 TYR  H      27 TYR  QD      4.22            #peak 513 #SUP 0.84 #QF 0.84
 24 THR  H      27 TYR  H       4.99            #peak 514 #SUP 0.95 #QF 0.95
 26 GLY  H      27 TYR  H       3.16            #peak 516 #SUP 0.86 #QF 0.86
 27 TYR  H      28 PHE  H       3.54            #peak 517 #SUP 0.99 #QF 0.99
 19 ARG  HG3    28 PHE  H       4.75            #peak 518 #SUP 0.88 #QF 0.88
 19 ARG  HB2    28 PHE  H       4.56            #peak 519 #SUP 0.98 #QF 0.92
 19 ARG  HG2    28 PHE  H       4.75            #peak 519 #SUP 0.98 #QF 0.92
 27 TYR  HB3    28 PHE  H       3.32            #peak 520 #SUP 0.81 #QF 0.81
 28 PHE  H      28 PHE  QB      2.71            #peak 521 #SUP 0.89 #QF 0.89
 27 TYR  HB2    28 PHE  H       3.93            #peak 522 #SUP 0.93 #QF 0.93
 28 PHE  H      28 PHE  QD      4.90            #peak 527 #SUP 0.85 #QF 0.85
 27 TYR  QD     28 PHE  H       4.34            #peak 528 #SUP 0.80 #QF 0.80
 27 TYR  HB3    29 TYR  H       5.28            #peak 533 #SUP 0.93 #QF 0.93
 28 PHE  QB     29 TYR  H       2.74            #peak 535 #SUP 0.71 #QF 0.71
 29 TYR  H      30 GLU  H       3.28            #peak 540 #SUP 0.88 #QF 0.88
 28 PHE  QD     29 TYR  H       3.80            #peak 541 #SUP 0.84 #QF 0.84
 28 PHE  H      29 TYR  H       3.33            #peak 542 #SUP 0.96 #QF 0.96
 30 GLU  H      30 GLU  HB2     3.05            #peak 545 #SUP 0.96 #QF 0.96
 30 GLU  H      30 GLU  HB3     3.05            #peak 546 #SUP 0.96 #QF 0.96
 30 GLU  H      30 GLU  HG3     4.81            #peak 547 #SUP 0.99 #QF 0.99
 27 TYR  HA     30 GLU  H       3.71            #peak 552 #SUP 0.76 #QF 0.76
 30 GLU  H      37 THR  QG2     5.38            #peak 554 #SUP 0.82 #QF 0.82
 30 GLU  H      33 THR  H       5.39            #peak 556 #SUP 0.96 #QF 0.96
 29 TYR  QD     30 GLU  H       4.30            #peak 557 #SUP 1.00
 30 GLU  H      31 CYSS H       3.34            #peak 561 #SUP 0.95 #QF 0.95
 28 PHE  H      30 GLU  H       4.67            #peak 562 #SUP 0.88 #QF 0.88
 28 PHE  QB     31 CYSS H       5.50            #peak 563 #SUP 0.94 #QF 0.94
 28 PHE  HA     31 CYSS H       4.02            #peak 564 #SUP 0.86 #QF 0.86
 31 CYSS H      31 CYSS HB3     3.75            #peak 567 #SUP 0.99 #QF 0.24
 30 GLU  HB2    31 CYSS H       3.92            #peak 569 #SUP 0.99 #QF 0.99
 30 GLU  HB3    31 CYSS H       3.92            #peak 570 #SUP 0.90 #QF 0.90
 31 CYSS H      37 THR  QG2     3.73            #peak 571 #SUP 0.96 #QF 0.96
 27 TYR  QD     31 CYSS H       4.68            #peak 572 #SUP 0.75 #QF 0.75
 31 CYSS H      33 THR  H       4.83            #peak 573 #SUP 0.97 #QF 0.97
 31 CYSS H      32 CYSS H       3.53            #peak 575 #SUP 0.98 #QF 0.98
 22 VAL  H      23 LYS  H       2.88            #peak 579 #SUP 0.68 #QF 0.68
 29 TYR  HA     32 CYSS H       3.88            #peak 580 #SUP 0.98 #QF 0.98
 31 CYSS HB3    32 CYSS H       4.37            #peak 582 #SUP 0.98 #QF 0.98
 32 CYSS H      33 THR  QG2     4.84            #peak 583 #SUP 0.98 #QF 0.98
 30 GLU  H      32 CYSS H       4.72            #peak 584 #SUP 0.94 #QF 0.94
 32 CYSS H      33 THR  H       3.41            #peak 585 #SUP 0.98 #QF 0.98
 33 THR  H      33 THR  QG2     3.32            #peak 587 #SUP 0.96 #QF 0.96
 30 GLU  HA     33 THR  H       4.11            #peak 590 #SUP 0.68 #QF 0.68
 32 CYSS HB3    33 THR  H       4.46            #peak 591 #SUP 0.99 #QF 0.99
 32 CYSS HB2    33 THR  H       4.07            #peak 592 #SUP 0.97 #QF 0.97
 33 THR  H      34 SER  HA      4.85            #peak 594 #SUP 0.93 #QF 0.93
 31 CYSS HA     34 SER  H       3.79            #peak 598 #SUP 0.50 #QF 0.50
 33 THR  QG2    34 SER  H       4.41            #peak 601 #SUP 1.00
 33 THR  H      34 SER  H       2.68            #peak 607 #SUP 0.89 #QF 0.89
 34 SER  H      37 THR  H       5.43            #peak 609 #SUP 0.99 #QF 0.99
 31 CYSS H      34 SER  H       4.99            #peak 611 #SUP 0.98 #QF 0.98
 34 SER  H      35 ASP  H       4.44            #peak 612 #SUP 0.99 #QF 0.99
 34 SER  HB2    35 ASP  H       4.57            #peak 615 #SUP 1.00
 34 SER  HB3    35 ASP  H       4.57            #peak 616 #SUP 0.93 #QF 0.93
 36 SER  H      37 THR  HB      5.50            #peak 618 #SUP 0.95 #QF 0.64
 35 ASP  HB2    36 SER  H       3.96            #peak 620 #SUP 0.96 #QF 0.96
 35 ASP  HB3    36 SER  H       3.96            #peak 621 #SUP 0.88 #QF 0.88
 34 SER  HA     36 SER  H       3.96            #peak 624 #SUP 0.65 #QF 0.65
 35 ASP  H      36 SER  H       3.31            #peak 627 #SUP 0.96 #QF 0.96
 31 CYSS HA     37 THR  H       4.56            #peak 629 #SUP 0.95 #QF 0.95
 35 ASP  HA     37 THR  H       4.99            #peak 631 #SUP 0.84 #QF 0.84
 34 SER  HA     37 THR  H       4.60            #peak 632 #SUP 0.92 #QF 0.92
 37 THR  H      39 LYS  H       4.75            #peak 633 #SUP 0.98 #QF 0.98
 36 SER  H      37 THR  H       2.98            #peak 634 #SUP 0.97 #QF 0.80
 35 ASP  H      37 THR  H       4.84            #peak 639 #SUP 0.94 #QF 0.94
 38 PHE  H      39 LYS  QB      4.64            #peak 641 #SUP 0.95 #QF 0.95
 37 THR  QG2    38 PHE  H       3.97            #peak 642 #SUP 0.96 #QF 0.96
 31 CYSS HA     38 PHE  H       4.16            #peak 643 #SUP 0.87 #QF 0.87
 37 THR  HB     38 PHE  H       3.15            #peak 645 #SUP 0.86 #QF 0.86
 36 SER  HA     38 PHE  H       4.57            #peak 646 #SUP 0.56 #QF 0.56
 35 ASP  HA     38 PHE  H       3.68            #peak 647 #SUP 0.82 #QF 0.82
 38 PHE  H      38 PHE  QD      4.38            #peak 651 #SUP 1.00
 38 PHE  H      40 LYS  H       4.59            #peak 652 #SUP 0.76 #QF 0.76
 37 THR  H      38 PHE  H       3.05            #peak 653 #SUP 0.95 #QF 0.95
 35 ASP  H      38 PHE  H       5.27            #peak 657 #SUP 0.91 #QF 0.91
 39 LYS  H      40 LYS  HB2     5.35            #peak 659 #SUP 0.99 #QF 0.98
 39 LYS  H      42 GLN  HB2     5.50            #peak 659 #SUP 0.99 #QF 0.98
 37 THR  HA     39 LYS  H       4.66            #peak 660 #SUP 0.95 #QF 0.95
 36 SER  HA     39 LYS  H       3.90            #peak 661 #SUP 0.87 #QF 0.87
 35 ASP  HA     39 LYS  H       5.03            #peak 662 #SUP 0.96 #QF 0.96
 38 PHE  QD     39 LYS  H       4.31            #peak 667 #SUP 0.92 #QF 0.92
 38 PHE  H      39 LYS  H       3.25            #peak 668 #SUP 0.95 #QF 0.95
 40 LYS  H      40 LYS  HB2     2.69            #peak 696 #SUP 0.91 #QF 0.91
 40 LYS  H      40 LYS  QD      3.29            #peak 697 #SUP 0.97 #QF 0.97
 40 LYS  H      40 LYS  QG      3.53            #peak 698 #SUP 0.89 #QF 0.89
 40 LYS  H      40 LYS  QE      5.50            #peak 706 #SUP 1.00
 37 THR  QG2    40 LYS  H       5.07            #peak 707 #SUP 0.86 #QF 0.86
 40 LYS  H      41 CYSS HB3     4.94            #peak 709 #SUP 0.87 #QF 0.87
 37 THR  HA     40 LYS  H       4.03            #peak 711 #SUP 0.87 #QF 0.87
 36 SER  HA     40 LYS  H       5.36            #peak 712 #SUP 0.95 #QF 0.95
 40 LYS  H      42 GLN  H       4.39            #peak 715 #SUP 0.96 #QF 0.96
 39 LYS  H      40 LYS  H       3.14            #peak 716 #SUP 0.98 #QF 0.84
 40 LYS  H      41 CYSS H       3.32            #peak 716 #SUP 0.98 #QF 0.84
 40 LYS  HB2    41 CYSS H       3.15            #peak 718 #SUP 0.69 #QF 0.69
 40 LYS  QD     41 CYSS H       4.52            #peak 719 #SUP 0.83 #QF 0.83
 37 THR  QG2    41 CYSS H       4.74            #peak 720 #SUP 0.36 #QF 0.36
 38 PHE  HA     41 CYSS H       3.56            #peak 722 #SUP 0.24 #QF 0.24
 38 PHE  QD     41 CYSS H       5.50            #peak 726 #SUP 0.94 #QF 0.94
 42 GLN  H      42 GLN  HB2     3.00            #peak 728 #SUP 0.86 #QF 0.86
 42 GLN  H      42 GLN  QG      2.79            #peak 730 #SUP 0.84 #QF 0.84
 42 GLN  H      45 LEU  QD1     5.27            #peak 731 #SUP 0.88 #QF 0.88
 41 CYSS HB3    42 GLN  H       3.37            #peak 733 #SUP 0.84 #QF 0.84
 41 CYSS HB2    42 GLN  H       4.11            #peak 734 #SUP 1.00
 40 LYS  HA     42 GLN  H       4.58            #peak 735 #SUP 0.97 #QF 0.97
 38 PHE  QD     42 GLN  H       4.96            #peak 737 #SUP 0.64 #QF 0.64
 41 CYSS H      42 GLN  H       3.15            #peak 740 #SUP 0.92 #QF 0.92
 42 GLN  HB2    43 ASP  H       3.16            #peak 742 #SUP 0.80 #QF 0.80
 43 ASP  H      44 LEU  HG      4.21            #peak 743 #SUP 0.62 #QF 0.62
 40 LYS  HA     43 ASP  H       3.84            #peak 746 #SUP 0.87 #QF 0.87
 43 ASP  H      45 LEU  H       4.47            #peak 747 #SUP 0.75 #QF 0.75
 43 ASP  H      44 LEU  H       3.09            #peak 749 #SUP 0.94 #QF 0.94
 42 GLN  H      43 ASP  H       3.24            #peak 750 #SUP 0.97 #QF 0.97
 41 CYSS H      43 ASP  H       4.70            #peak 751 #SUP 0.98 #QF 0.98
 44 LEU  H      44 LEU  HB3     3.65            #peak 752 #SUP 0.93 #QF 0.93
 44 LEU  H      44 LEU  HB2     3.09            #peak 757 #SUP 0.85 #QF 0.85
 43 ASP  HB3    44 LEU  H       3.62            #peak 758 #SUP 0.91 #QF 0.91
 41 CYSS HA     44 LEU  H       4.06            #peak 761 #SUP 0.62 #QF 0.62
 45 LEU  H      45 LEU  HG      2.88            #peak 766 #SUP 0.96 #QF 0.96
 45 LEU  H      45 LEU  HB2     3.35            #peak 767 #SUP 0.99 #QF 0.99
 45 LEU  H      45 LEU  QD1     3.72            #peak 768 #SUP 0.99 #QF 0.99
 45 LEU  H      45 LEU  QD2     3.82            #peak 769 #SUP 0.99 #QF 0.99
 44 LEU  QD1    45 LEU  H       4.34            #peak 770 #SUP 0.98 #QF 0.98
 44 LEU  HB2    45 LEU  H       3.23            #peak 771 #SUP 0.91 #QF 0.91
 44 LEU  HB3    45 LEU  H       3.77            #peak 772 #SUP 0.99 #QF 0.99
 42 GLN  HA     45 LEU  H       3.92            #peak 773 #SUP 0.94 #QF 0.94
 43 ASP  HA     45 LEU  H       4.75            #peak 774 #SUP 0.90 #QF 0.90
 44 LEU  H      45 LEU  H       3.19            #peak 776 #SUP 0.94 #QF 0.94
 45 LEU  HG     46 HIS  H       4.72            #peak 778 #SUP 0.97 #QF 0.97
 44 LEU  HB2    46 HIS  H       4.62            #peak 779 #SUP 0.84 #QF 0.84
 45 LEU  HB3    46 HIS  H       4.22            #peak 780 #SUP 0.82 #QF 0.82
 45 LEU  HB2    46 HIS  H       4.61            #peak 781 #SUP 0.98 #QF 0.98
 45 LEU  QD2    46 HIS  H       5.17            #peak 782 #SUP 0.99 #QF 0.99
 44 LEU  H      46 HIS  H       4.76            #peak 784 #SUP 0.93 #QF 0.93
 45 LEU  H      46 HIS  H       2.70            #peak 785 #SUP 0.79 #QF 0.79
  7 ASN  H       7 ASN  HB2     4.15            #peak 806 #SUP 0.70 #QF 0.70
 13 ILE  QG2    17 GLN  HE22    4.35            #peak 820 #SUP 0.86 #QF 0.86
 13 ILE  QG2    17 GLN  HE21    4.35            #peak 821 #SUP 0.94 #QF 0.94
 38 PHE  QD     42 GLN  HE22    5.50            #peak 848 #SUP 0.97 #QF 0.71
 38 PHE  QE     42 GLN  HE22    5.50            #peak 848 #SUP 0.97 #QF 0.71
 38 PHE  QD     42 GLN  HE21    5.50            #peak 855 #SUP 0.97 #QF 0.81
 38 PHE  QE     42 GLN  HE21    5.50            #peak 855 #SUP 0.97 #QF 0.81
 45 LEU  QD1    46 HIS  H       4.91            #peak 869 #SUP 0.96 #QF 0.96
 44 LEU  HB3    46 HIS  H       5.50            #peak 870 #SUP 0.98 #QF 0.98
  8 SER  H      11 ARG  HB3     5.18            #peak 874 #SUP 1.00
 13 ILE  QG2    15 CYSS H       5.37            #peak 876 #SUP 0.95 #QF 0.95
 17 GLN  H      18 CYSS HB2     5.24            #peak 884 #SUP 0.67 #QF 0.67
  9 LEU  H       9 LEU  QD2     4.35            #peak 886 #SUP 1.00
 13 ILE  H      13 ILE  QD1     3.78            #peak 887 #SUP 0.89 #QF 0.89
 44 LEU  H      44 LEU  QD2     3.84            #peak 889 #SUP 0.97 #QF 0.97
 42 GLN  HB3    43 ASP  H       4.44            #peak 890 #SUP 0.99 #QF 0.93
 11 ARG  H      11 ARG  HG3     4.74            #peak 898 #SUP 0.99 #QF 0.99
 18 CYSS HB2    19 ARG  H       3.65            #peak 899 #SUP 0.98 #QF 0.98
 13 ILE  H      13 ILE  HG13    2.98            #peak 900 #SUP 0.92 #QF 0.92
 12 GLU  H      12 GLU  HB3     3.13            #peak 902 #SUP 0.68 #QF 0.68
 45 LEU  H      45 LEU  HB3     3.77            #peak 903 #SUP 1.00
  5 CYSS H      33 THR  QG2     5.03            #peak 910 #SUP 0.97 #QF 0.97
  4 LYS  HB2     6 GLU  H       5.43            #peak 911 #SUP 0.99 #QF 0.99
  4 LYS  H       7 ASN  H       5.50            #peak 914 #SUP 0.97 #QF 0.97
  2 ASP  H      33 THR  QG2     5.50            #peak 917 #SUP 0.96 #QF 0.96
  4 LYS  H       4 LYS  HD3     4.38            #peak 920 #SUP 0.99 #QF 0.99
  4 LYS  H       4 LYS  HD2     4.38            #peak 921 #SUP 0.99 #QF 0.99
 41 CYSS H      44 LEU  HG      4.60            #peak 924 #SUP 0.71 #QF 0.71
  8 SER  H      11 ARG  H       5.40            #peak 925 #SUP 0.99 #QF 0.99
  4 LYS  H      32 CYSS HB3     3.71            #peak 926 #SUP 0.31 #QF 0.31
  9 LEU  H       9 LEU  HB3     2.92            #peak 928 #SUP 0.96 #QF 0.74
 11 ARG  HG2    12 GLU  H       5.50            #peak 768 #SUP 0.99 #QF 0.99
 18 CYSS H      19 ARG  HB2     5.50            #peak 770 #SUP 0.90 #QF 0.90
 22 VAL  QG1    27 TYR  H       5.50            #peak 786 #SUP 0.95 #QF 0.95
 29 TYR  H      31 CYSS H       5.50            #peak 792 #SUP 1.00
 44 LEU  H      45 LEU  HB2     5.50            #peak 810 #SUP 0.84 #QF 0.84
 12 GLU  H      12 GLU  HB2     3.72            #peak 812 #SUP 0.99 #QF 0.99
  9 LEU  HG     10 ARG  H       4.15            #peak 823 #SUP 1.00 #QF 0.86
 10 ARG  H      10 ARG  HB3     3.91            #peak 825 #SUP 0.99 #QF 0.99
 14 ALA  QB     18 CYSS H       5.50            #peak 836 #SUP 0.96 #QF 0.96
 15 CYSS H      16 GLY  HA3     5.50            #peak 838 #SUP 0.87 #QF 0.87
 41 CYSS H      42 GLN  HA      5.50            #peak 839 #SUP 0.73 #QF 0.73
 41 CYSS H      42 GLN  QG      5.50            #peak 843 #SUP 1.00 #QF 0.93
  9 LEU  HA      9 LEU  QD1     3.58            #peak 69 #SUP 0.97 #QF 0.97
  9 LEU  HA      9 LEU  QD2     4.19            #peak 70 #SUP 1.00
  9 LEU  HB2     9 LEU  QD1     3.35            #peak 74 #SUP 1.00
  9 LEU  HB2     9 LEU  QD2     3.52            #peak 75 #SUP 1.00
  9 LEU  HB3     9 LEU  QD1     3.70            #peak 79 #SUP 1.00
  9 LEU  HB3     9 LEU  QD2     3.55            #peak 80 #SUP 1.00
 10 ARG  HA     10 ARG  QG      3.07            #peak 94 #SUP 1.00 #QF 0.96
 11 ARG  HA     11 ARG  HG3     3.39            #peak 110 #SUP 0.94 #QF 0.94
 11 ARG  HA     11 ARG  HG2     3.96            #peak 111 #SUP 1.00
 11 ARG  HA     11 ARG  HD3     4.73            #peak 113 #SUP 0.99 #QF 0.99
  5 CYSS HA     11 ARG  HG2     3.98            #peak 135 #SUP 1.00 #QF 0.74
 11 ARG  HA     11 ARG  HD2     4.73            #peak 142 #SUP 1.00
 13 ILE  HA     13 ILE  QG2     3.28            #peak 167 #SUP 1.00
 13 ILE  HA     13 ILE  HG13    3.63            #peak 168 #SUP 1.00
 13 ILE  HA     13 ILE  HG12    3.43            #peak 169 #SUP 0.96 #QF 0.96
 13 ILE  HA     13 ILE  QD1     4.08            #peak 170 #SUP 1.00
 13 ILE  HB     13 ILE  QD1     3.31            #peak 176 #SUP 1.00
 13 ILE  QG2    13 ILE  HG13    3.35            #peak 180 #SUP 1.00
 13 ILE  QG2    13 ILE  QD1     2.46            #peak 182 #SUP 0.82 #QF 0.82
 13 ILE  QG2    13 ILE  HG12    3.50            #peak 191 #SUP 1.00
 17 GLN  HA     17 GLN  HG2     3.54            #peak 221 #SUP 1.00
 17 GLN  HA     17 GLN  HG3     3.54            #peak 238 #SUP 0.96 #QF 0.96
 19 ARG  HA     19 ARG  HG2     3.81            #peak 254 #SUP 1.00
 18 CYSS HB2    19 ARG  HA      5.24            #peak 255 #SUP 1.00 #QF 0.98
 21 LYS  HA     21 LYS  HG2     3.92            #peak 284 #SUP 0.98 #QF 0.97
 21 LYS  HA     21 LYS  QD      4.14            #peak 284 #SUP 0.98 #QF 0.97
 21 LYS  HA     21 LYS  HG3     3.92            #peak 285 #SUP 0.97 #QF 0.97
 21 LYS  HB3    21 LYS  QD      3.89            #peak 289 #SUP 1.00
 22 VAL  HA     22 VAL  QG1     3.36            #peak 308 #SUP 0.99 #QF 0.99
 22 VAL  HA     22 VAL  QG2     3.49            #peak 309 #SUP 0.99 #QF 0.99
 23 LYS  HA     23 LYS  HG2     3.93            #peak 324 #SUP 1.00
 23 LYS  HA     23 LYS  HG3     3.93            #peak 325 #SUP 1.00
 23 LYS  HA     23 LYS  HD2     4.65            #peak 326 #SUP 0.97 #QF 0.97
 23 LYS  HA     23 LYS  HD3     4.65            #peak 327 #SUP 1.00
 23 LYS  QB     23 LYS  HD3     3.97            #peak 333 #SUP 1.00
 23 LYS  QB     23 LYS  HD2     3.97            #peak 347 #SUP 1.00
 24 THR  HA     24 THR  QG2     3.16            #peak 360 #SUP 0.99 #QF 0.99
 19 ARG  HA     27 TYR  HB3     4.05            #peak 386 #SUP 1.00 #QF 0.79
 30 GLU  HA     30 GLU  HG2     4.15            #peak 405 #SUP 0.98 #QF 0.98
 30 GLU  HA     30 GLU  HG3     4.15            #peak 406 #SUP 1.00
 33 THR  HA     33 THR  QG2     3.37            #peak 447 #SUP 1.00
 37 THR  HA     37 THR  QG2     3.59            #peak 487 #SUP 1.00
 39 LYS  HA     39 LYS  QB      2.92            #peak 500 #SUP 1.00
 39 LYS  HA     39 LYS  HG2     3.88            #peak 501 #SUP 0.99 #QF 0.99
 39 LYS  HA     39 LYS  HG3     3.88            #peak 502 #SUP 1.00
 40 LYS  HA     40 LYS  QG      3.41            #peak 518 #SUP 1.00
 40 LYS  HB2    40 LYS  QD      3.65            #peak 524 #SUP 1.00
 40 LYS  HB3    40 LYS  QD      3.84            #peak 529 #SUP 1.00
 42 GLN  HA     42 GLN  QG      3.42            #peak 551 #SUP 1.00 #QF 0.97
 44 LEU  HA     44 LEU  QD2     3.39            #peak 570 #SUP 0.92 #QF 0.92
 44 LEU  HA     44 LEU  QD1     3.97            #peak 571 #SUP 1.00
 44 LEU  HB3    44 LEU  QD2     4.18            #peak 583 #SUP 1.00
 44 LEU  HB2    44 LEU  QD2     3.71            #peak 584 #SUP 1.00
 44 LEU  HB3    44 LEU  QD1     4.13            #peak 588 #SUP 1.00
 44 LEU  HB2    44 LEU  QD1     3.58            #peak 589 #SUP 1.00 #QF 0.57
 45 LEU  HA     45 LEU  QD2     2.96            #peak 596 #SUP 0.97 #QF 0.97
 45 LEU  HB3    45 LEU  QD1     3.62            #peak 600 #SUP 1.00
 45 LEU  HB2    45 LEU  QD1     3.56            #peak 605 #SUP 1.00
 45 LEU  HA     45 LEU  QD1     4.14            #peak 607 #SUP 1.00
 45 LEU  HB3    45 LEU  QD2     3.78            #peak 613 #SUP 1.00
 45 LEU  HB2    45 LEU  QD2     3.45            #peak 614 #SUP 1.00
  3 ASN  HA     33 THR  QG2     3.28            #peak 634 #SUP 0.92 #QF 0.92
  4 LYS  HB3     4 LYS  HD2     3.76            #peak 646 #SUP 1.00
  4 LYS  HA      4 LYS  HG2     4.17            #peak 660 #SUP 0.65 #QF 0.65
  4 LYS  HB3     4 LYS  HD3     3.76            #peak 672 #SUP 1.00
  4 LYS  HA      4 LYS  HD3     4.62            #peak 674 #SUP 1.00
  4 LYS  HA      4 LYS  HD2     4.62            #peak 675 #SUP 1.00
  4 LYS  HB2     4 LYS  HE3     4.80            #peak 692 #SUP 0.99 #QF 0.36
  4 LYS  HB2     4 LYS  HE2     4.80            #peak 696 #SUP 1.00 #QF 0.47
  4 LYS  HA      4 LYS  HG3     4.17            #peak 699 #SUP 1.00
  5 CYSS HA     12 GLU  HB2     4.25            #peak 712 #SUP 0.91 #QF 0.91
  5 CYSS HA     11 ARG  HG3     4.28            #peak 714 #SUP 0.72 #QF 0.72
  6 GLU  HA      6 GLU  QG      3.56            #peak 727 #SUP 0.99 #QF 0.99
  6 GLU  QG      7 ASN  H       4.80            #peak 734 #SUP 0.99 #QF 0.99
  8 SER  HB2    11 ARG  HB2     4.84            #peak 745 #SUP 0.80 #QF 0.80
  8 SER  HB2    11 ARG  HB3     4.84            #peak 746 #SUP 1.00
  8 SER  HB3    11 ARG  HB2     4.84            #peak 749 #SUP 0.81 #QF 0.81
  8 SER  HB3    11 ARG  HB3     4.84            #peak 750 #SUP 1.00
  9 LEU  HA     12 GLU  HB3     3.16            #peak 755 #SUP 0.39 #QF 0.39
  9 LEU  H       9 LEU  HB2     3.69            #peak 757 #SUP 1.00
 10 ARG  H      10 ARG  HB2     3.70            #peak 766 #SUP 0.98 #QF 0.98
 10 ARG  H      10 ARG  QG      4.53            #peak 767 #SUP 0.99 #QF 0.99
 10 ARG  HA     13 ILE  QD1     3.82            #peak 777 #SUP 0.97 #QF 0.97
 10 ARG  HA     10 ARG  QD      4.73            #peak 780 #SUP 1.00
 11 ARG  HA     38 PHE  QE      3.70            #peak 785 #SUP 0.89 #QF 0.89
 11 ARG  HG2    38 PHE  QE      5.28            #peak 792 #SUP 0.95 #QF 0.95
 11 ARG  HD2    38 PHE  HZ      4.32            #peak 793 #SUP 0.87 #QF 0.87
 11 ARG  HD3    38 PHE  HZ      4.32            #peak 794 #SUP 0.93 #QF 0.93
 12 GLU  HB2    12 GLU  QG      2.65            #peak 803 #SUP 0.93 #QF 0.93
 12 GLU  HB2    13 ILE  H       4.39            #peak 811 #SUP 0.94 #QF 0.94
 10 ARG  HA     13 ILE  HB      3.75            #peak 817 #SUP 0.95 #QF 0.95
 10 ARG  QG     13 ILE  QG2     5.17            #peak 820 #SUP 0.93 #QF 0.93
 10 ARG  QG     13 ILE  HB      4.32            #peak 821 #SUP 0.66 #QF 0.66
 13 ILE  QG2    17 GLN  H       5.17            #peak 823 #SUP 0.98 #QF 0.95
 14 ALA  QB     45 LEU  QD1     3.46            #peak 834 #SUP 0.47 #QF 0.47
 14 ALA  HA     17 GLN  HB2     4.41            #peak 835 #SUP 0.32 #QF 0.32
 11 ARG  HA     14 ALA  QB      3.88            #peak 839 #SUP 0.92 #QF 0.92
 14 ALA  QB     38 PHE  QE      3.54            #peak 840 #SUP 0.80 #QF 0.80
 14 ALA  QB     15 CYSS H       4.01            #peak 843 #SUP 1.00
 15 CYSS HA     18 CYSS HB2     3.51            #peak 844 #SUP 0.87 #QF 0.87
 15 CYSS HA     18 CYSS HB3     4.54            #peak 846 #SUP 1.00
 15 CYSS HA     38 PHE  QE      4.91            #peak 848 #SUP 0.52 #QF 0.52
 15 CYSS HA     19 ARG  H       4.53            #peak 851 #SUP 0.74 #QF 0.74
 31 CYSS HB2    32 CYSS H       4.37            #peak 856 #SUP 0.69 #QF 0.69
 16 GLY  HA2    19 ARG  HB3     3.98            #peak 862 #SUP 0.79 #QF 0.79
 16 GLY  HA2    19 ARG  HB2     4.40            #peak 863 #SUP 0.84 #QF 0.84
 17 GLN  HA     20 ASP  QB      3.73            #peak 869 #SUP 0.53 #QF 0.53
 13 ILE  QG2    17 GLN  HG3     4.44            #peak 876 #SUP 0.99 #QF 0.99
 13 ILE  QG2    17 GLN  HG2     4.44            #peak 877 #SUP 0.97 #QF 0.97
 18 CYSS HA     22 VAL  H       4.38            #peak 881 #SUP 0.99 #QF 0.99
 18 CYSS HA     45 LEU  QD2     3.94            #peak 889 #SUP 0.82 #QF 0.82
 18 CYSS HA     22 VAL  QG2     4.74            #peak 890 #SUP 0.94 #QF 0.94
 18 CYSS HA     21 LYS  HG2     4.62            #peak 891 #SUP 0.97 #QF 0.97
 18 CYSS HA     21 LYS  HB2     3.42            #peak 892 #SUP 0.73 #QF 0.73
 19 ARG  HA     19 ARG  HG3     3.81            #peak 893 #SUP 1.00
 19 ARG  HA     22 VAL  HB      4.22            #peak 894 #SUP 0.71 #QF 0.71
 19 ARG  HA     22 VAL  QG2     4.32            #peak 895 #SUP 0.98 #QF 0.98
 20 ASP  QB     21 LYS  HA      4.21            #peak 941 #SUP 0.79 #QF 0.79
 22 VAL  QG2    27 TYR  QE      4.21            #peak 951 #SUP 1.00 #QF 0.95
 21 LYS  H      22 VAL  HA      5.50            #peak 954 #SUP 0.96 #QF 0.71
 22 VAL  HA     24 THR  H       5.50            #peak 954 #SUP 0.96 #QF 0.71
 22 VAL  QG2    44 LEU  HG      4.42            #peak 955 #SUP 0.77 #QF 0.77
 22 VAL  QG1    24 THR  QG2     4.15            #peak 968 #SUP 0.87 #QF 0.87
 24 THR  HB     25 ASP  H       4.43            #peak 970 #SUP 0.96 #QF 0.96
 25 ASP  H      25 ASP  HA      2.91            #peak 972 #SUP 0.96 #QF 0.96
 28 PHE  HA     28 PHE  QD      3.71            #peak 998 #SUP 1.00
 27 TYR  QD     28 PHE  HA      4.01            #peak 999 #SUP 0.99 #QF 0.99
 19 ARG  HB2    28 PHE  QB      3.69            #peak 1002 #SUP 0.99 #QF 0.97
 27 TYR  HB3    28 PHE  HA      4.37            #peak 1004 #SUP 0.73 #QF 0.73
 28 PHE  QD     29 TYR  HA      3.76            #peak 1005 #SUP 0.97 #QF 0.49
 29 TYR  H      29 TYR  HB2     3.64            #peak 1011 #SUP 0.99 #QF 0.99
 30 GLU  HB2    37 THR  QG2     4.63            #peak 1018 #SUP 0.60 #QF 0.60
 17 GLN  HB3    45 LEU  QD1     4.38            #peak 1020 #SUP 0.82 #QF 0.82
 17 GLN  HB3    45 LEU  QD2     4.44            #peak 1021 #SUP 0.96 #QF 0.96
 30 GLU  HB3    37 THR  QG2     4.63            #peak 1025 #SUP 0.58 #QF 0.58
 30 GLU  HG3    37 THR  HB      5.50            #peak 1026 #SUP 0.97 #QF 0.23
 31 CYSS HA     37 THR  HB      3.37            #peak 1031 #SUP 0.97 #QF 0.97
 31 CYSS HA     32 CYSS HA      4.91            #peak 1032 #SUP 0.78 #QF 0.78
 31 CYSS HA     37 THR  QG2     3.09            #peak 1033 #SUP 0.94 #QF 0.94
 11 ARG  HG3    32 CYSS HA      4.44            #peak 1043 #SUP 0.87 #QF 0.87
 32 CYSS HB3    33 THR  QG2     4.23            #peak 1047 #SUP 0.98 #QF 0.98
 32 CYSS HB2    33 THR  QG2     4.16            #peak 1048 #SUP 0.98 #QF 0.98
  1 ALA  QB     33 THR  QG2     4.54            #peak 1049 #SUP 0.88 #QF 0.72
  1 ALA  QB     33 THR  HB      4.60            #peak 1050 #SUP 0.95 #QF 0.95
 36 SER  HA     39 LYS  QD      4.30            #peak 1064 #SUP 0.96 #QF 0.92
 37 THR  HA     40 LYS  HB2     3.92            #peak 1067 #SUP 0.92 #QF 0.92
 30 GLU  HG2    37 THR  QG2     4.55            #peak 1075 #SUP 1.00 #QF 0.59
 36 SER  HA     39 LYS  QB      3.95            #peak 1089 #SUP 0.95 #QF 0.95
  9 LEU  HG     10 ARG  QD      4.84            #peak 1099 #SUP 0.93 #QF 0.93
  9 LEU  HG     10 ARG  HA      4.30            #peak 1100 #SUP 0.95 #QF 0.95
 17 GLN  HB2    45 LEU  QD2     3.99            #peak 1112 #SUP 0.81 #QF 0.81
 40 LYS  QG     40 LYS  QD      2.62            #peak 1141 #SUP 1.00
 21 LYS  H      21 LYS  HG3     4.84            #peak 1151 #SUP 0.90 #QF 0.90
 21 LYS  H      21 LYS  HG2     4.84            #peak 1152 #SUP 0.90 #QF 0.90
 40 LYS  HA     40 LYS  QD      3.58            #peak 1162 #SUP 0.62 #QF 0.62
  9 LEU  HG     10 ARG  QG      3.04            #peak 1210 #SUP 0.83 #QF 0.83
  9 LEU  QD1    13 ILE  HB      4.30            #peak 1215 #SUP 0.61 #QF 0.61
  9 LEU  QD1    10 ARG  HA      4.72            #peak 1219 #SUP 1.00
  8 SER  H      11 ARG  HG2     5.50            #peak 1223 #SUP 0.96 #QF 0.96
 12 GLU  HA     12 GLU  QG      3.76            #peak 1232 #SUP 1.00
 11 ARG  HG2    32 CYSS HB3     5.48            #peak 1250 #SUP 0.97 #QF 0.97
 11 ARG  HG3    32 CYSS HB3     5.50            #peak 1251 #SUP 0.98 #QF 0.98
 12 GLU  HB3    13 ILE  HB      4.99            #peak 1253 #SUP 0.86 #QF 0.86
 13 ILE  QG2    14 ALA  HA      4.89            #peak 1263 #SUP 1.00
 10 ARG  HA     13 ILE  HG13    4.76            #peak 1264 #SUP 1.00
 16 GLY  HA2    19 ARG  H       5.03            #peak 1288 #SUP 0.99 #QF 0.99
 16 GLY  HA3    19 ARG  H       4.75            #peak 1289 #SUP 0.94 #QF 0.94
 16 GLY  HA2    28 PHE  QE      4.42            #peak 1297 #SUP 0.60 #QF 0.60
 15 CYSS HB3    28 PHE  QE      4.68            #peak 1298 #SUP 0.97 #QF 0.97
 15 CYSS HB2    28 PHE  QD      4.36            #peak 1299 #SUP 0.89 #QF 0.89
 15 CYSS HB2    28 PHE  QE      4.68            #peak 1301 #SUP 0.97 #QF 0.97
 17 GLN  HB2    45 LEU  QD1     4.21            #peak 1312 #SUP 0.99 #QF 0.99
 19 ARG  HB2    28 PHE  QD      4.92            #peak 1321 #SUP 0.75 #QF 0.75
 18 CYSS HA     21 LYS  HG3     4.62            #peak 1331 #SUP 0.97 #QF 0.97
 18 CYSS HB2    28 PHE  HA      5.50            #peak 1334 #SUP 0.27 #QF 0.27
 19 ARG  HA     28 PHE  QB      4.52            #peak 1335 #SUP 0.89 #QF 0.89
 19 ARG  HA     27 TYR  HB2     4.78            #peak 1336 #SUP 0.99 #QF 0.99
 19 ARG  HG2    28 PHE  QB      4.57            #peak 1341 #SUP 0.67 #QF 0.67
 19 ARG  HA     22 VAL  QG1     4.79            #peak 1344 #SUP 0.62 #QF 0.62
 18 CYSS HA     21 LYS  HB3     4.58            #peak 1354 #SUP 0.98 #QF 0.98
 21 LYS  HB2    44 LEU  QD1     4.78            #peak 1362 #SUP 0.88 #QF 0.88
 21 LYS  HB2    22 VAL  QG2     5.24            #peak 1363 #SUP 0.90 #QF 0.90
 21 LYS  HB3    44 LEU  HB3     4.91            #peak 1366 #SUP 0.73 #QF 0.73
 22 VAL  HB     24 THR  H       4.73            #peak 1367 #SUP 0.85 #QF 0.85
 22 VAL  HB     27 TYR  QD      4.61            #peak 1369 #SUP 0.95 #QF 0.95
 22 VAL  QG1    24 THR  HB      4.64            #peak 1370 #SUP 0.84 #QF 0.84
 22 VAL  QG1    41 CYSS HB2     5.50            #peak 1375 #SUP 0.43 #QF 0.43
 18 CYSS HB2    22 VAL  QG2     5.02            #peak 1379 #SUP 0.90 #QF 0.90
 22 VAL  QG1    23 LYS  HA      4.87            #peak 1381 #SUP 0.82 #QF 0.82
 27 TYR  H      28 PHE  HA      5.40            #peak 1393 #SUP 0.77 #QF 0.77
 27 TYR  HA     31 CYSS H       4.68            #peak 1394 #SUP 0.97 #QF 0.97
 27 TYR  QD     28 PHE  QB      5.06            #peak 1395 #SUP 0.76 #QF 0.76
 29 TYR  HA     33 THR  H       5.20            #peak 1397 #SUP 0.98 #QF 0.98
 27 TYR  HB2    28 PHE  QB      5.50            #peak 1413 #SUP 0.95 #QF 0.95
 22 VAL  QG1    27 TYR  HB2     4.40            #peak 1414 #SUP 0.76 #QF 0.76
 19 ARG  HB2    27 TYR  HB3     5.23            #peak 1417 #SUP 0.95 #QF 0.84
 19 ARG  HB2    28 PHE  HA      4.68            #peak 1420 #SUP 0.93 #QF 0.84
 19 ARG  HG3    28 PHE  QB      4.57            #peak 1421 #SUP 0.98 #QF 0.98
 29 TYR  HA     32 CYSS HB2     3.51            #peak 1423 #SUP 0.89 #QF 0.89
 29 TYR  HA     33 THR  QG2     4.68            #peak 1424 #SUP 0.96 #QF 0.96
 29 TYR  QD     30 GLU  HA      4.90            #peak 1426 #SUP 0.99 #QF 0.99
 30 GLU  HG2    37 THR  HB      5.50            #peak 1429 #SUP 0.61 #QF 0.30
 30 GLU  H      30 GLU  HG2     4.81            #peak 1430 #SUP 1.00
 29 TYR  HA     32 CYSS HB3     4.43            #peak 1446 #SUP 0.97 #QF 0.97
 30 GLU  HG3    37 THR  QG2     4.55            #peak 1449 #SUP 0.82 #QF 0.82
  4 LYS  HB2    32 CYSS HA      4.57            #peak 1455 #SUP 0.39 #QF 0.39
 11 ARG  HG2    32 CYSS HA      5.12            #peak 1456 #SUP 0.81 #QF 0.81
 30 GLU  HA     33 THR  QG2     4.93            #peak 1463 #SUP 0.83 #QF 0.83
 39 LYS  QB     40 LYS  H       3.84            #peak 1468 #SUP 1.00
 40 LYS  H      40 LYS  HB3     3.66            #peak 1477 #SUP 1.00
 40 LYS  HA     43 ASP  HB3     3.92            #peak 1481 #SUP 0.71 #QF 0.71
 43 ASP  HB2    44 LEU  H       4.16            #peak 1500 #SUP 0.96 #QF 0.96
 41 CYSS HA     44 LEU  HB3     4.78            #peak 1503 #SUP 0.98 #QF 0.98
 41 CYSS HA     44 LEU  HB2     4.82            #peak 1506 #SUP 0.98 #QF 0.98
 41 CYSS HA     44 LEU  HG      4.44            #peak 1510 #SUP 0.96 #QF 0.96
 44 LEU  H      44 LEU  HG      4.04            #peak 1513 #SUP 0.98 #QF 0.98
 42 GLN  HA     45 LEU  HB3     5.24            #peak 1519 #SUP 0.75 #QF 0.75
 42 GLN  HA     45 LEU  HB2     4.73            #peak 1520 #SUP 0.71 #QF 0.71
 40 LYS  HA     43 ASP  HB2     3.96            #peak 1526 #SUP 0.85 #QF 0.85
 42 GLN  HB2    43 ASP  HB2     4.77            #peak 1532 #SUP 0.67 #QF 0.67
 43 ASP  HA     46 HIS  HB2     4.60            #peak 1549 #SUP 0.99 #QF 0.21
 43 ASP  HA     46 HIS  HB3     4.60            #peak 1550 #SUP 1.00 #QF 0.24
 45 LEU  HA     45 LEU  HG      3.62            #peak 1554 #SUP 1.00
 42 GLN  HA     45 LEU  QD1     4.68            #peak 1556 #SUP 0.83 #QF 0.39
 17 GLN  H      45 LEU  QD2     4.94            #peak 1559 #SUP 0.82 #QF 0.82
 39 LYS  HA     42 GLN  QG      5.50            #peak 1591 #SUP 0.91 #QF 0.63
 21 LYS  QD     44 LEU  QD1     5.50            #peak 1625 #SUP 0.73 #QF 0.21
 22 VAL  QG2    44 LEU  QD2     4.63            #peak 1628 #SUP 0.87 #QF 0.87
 42 GLN  HB3    43 ASP  HB2     5.10            #peak 1629 #SUP 0.92 #QF 0.92
 12 GLU  H      13 ILE  HG13    5.02            #peak 1630 #SUP 0.86 #QF 0.67
 38 PHE  QE     42 GLN  QG      4.41            #peak 1642 #SUP 0.69 #QF 0.69
  9 LEU  HB3    10 ARG  H       5.50            #peak 1498 #SUP 1.00
  9 LEU  HB2    10 ARG  H       5.50            #peak 1499 #SUP 1.00
  9 LEU  HA     12 GLU  HB2     5.20            #peak 1502 #SUP 0.99 #QF 0.99
 12 GLU  HA     13 ILE  HA      5.50            #peak 1505 #SUP 0.96 #QF 0.60
 13 ILE  HA     14 ALA  HA      5.50            #peak 1505 #SUP 0.96 #QF 0.60
 12 GLU  HB2    13 ILE  HA      5.50            #peak 1506 #SUP 0.84 #QF 0.73
 22 VAL  HB     23 LYS  QB      5.50            #peak 1510 #SUP 0.87 #QF 0.87
 24 THR  QG2    25 ASP  HB2     5.50            #peak 1511 #SUP 0.96 #QF 0.96
 24 THR  QG2    25 ASP  HB3     5.50            #peak 1512 #SUP 0.97 #QF 0.97
 19 ARG  HB3    28 PHE  HA      5.50            #peak 1513 #SUP 0.88 #QF 0.79
 28 PHE  HA     32 CYSS HB2     5.50            #peak 1513 #SUP 0.88 #QF 0.79
 37 THR  QG2    40 LYS  QD      5.50            #peak 1519 #SUP 0.85 #QF 0.85
 42 GLN  HA     44 LEU  H       5.50            #peak 1522 #SUP 0.99 #QF 0.99
 22 VAL  QG2    44 LEU  QD1     5.50            #peak 1528 #SUP 0.96 #QF 0.96
 39 LYS  QB     40 LYS  QG      5.35            #peak 1531 #SUP 0.84 #QF 0.84
 41 CYSS HA     44 LEU  QD2     5.50            #peak 1533 #SUP 1.00
 21 LYS  HB2    21 LYS  QE      5.50            #peak 1542 #SUP 1.00
  9 LEU  HG     10 ARG  HB2     3.88            #peak 1557 #SUP 0.99 #QF 0.99
  9 LEU  HG     10 ARG  HB3     4.99            #peak 1559 #SUP 1.00
 16 GLY  HA2    28 PHE  QD      4.06            #peak 23 #SUP 0.80 #QF 0.38
 15 CYSS HB3    28 PHE  QD      4.36            #peak 25 #SUP 0.99 #QF 0.99
 29 TYR  QE     33 THR  QG2     4.01            #peak 38 #SUP 0.84 #QF 0.84
 12 GLU  QG     28 PHE  HZ      3.46            #peak 41 #SUP 0.50 #QF 0.50
 19 ARG  HA     27 TYR  QD      3.21            #peak 44 #SUP 0.99 #QF 0.94
 27 TYR  HA     27 TYR  QD      3.60            #peak 44 #SUP 0.99 #QF 0.94
 19 ARG  HB3    27 TYR  QD      4.81            #peak 47 #SUP 0.62 #QF 0.62
 19 ARG  HB2    27 TYR  QD      3.46            #peak 48 #SUP 0.80 #QF 0.80
 22 VAL  QG1    27 TYR  QD      3.68            #peak 49 #SUP 0.93 #QF 0.93
 22 VAL  QG2    27 TYR  QD      4.02            #peak 50 #SUP 0.72 #QF 0.72
 15 CYSS HA     27 TYR  QE      4.16            #peak 52 #SUP 0.74 #QF 0.74
 18 CYSS HB3    27 TYR  QE      3.25            #peak 53 #SUP 0.50 #QF 0.50
 19 ARG  HA     27 TYR  QE      4.50            #peak 54 #SUP 0.98 #QF 0.98
 18 CYSS HB2    27 TYR  QE      3.54            #peak 55 #SUP 0.94 #QF 0.94
 27 TYR  QE     31 CYSS HB3     4.77            #peak 57 #SUP 0.80 #QF 0.80
 27 TYR  QE     37 THR  QG2     3.57            #peak 58 #SUP 0.36 #QF 0.36
 22 VAL  QG1    27 TYR  QE      4.26            #peak 59 #SUP 0.95 #QF 0.95
 29 TYR  HA     29 TYR  QD      3.73            #peak 64 #SUP 0.68 #QF 0.68
 29 TYR  QD     33 THR  QG2     4.37            #peak 67 #SUP 0.97 #QF 0.97
 11 ARG  HA     38 PHE  HZ      3.91            #peak 69 #SUP 0.97 #QF 0.97
 14 ALA  QB     38 PHE  HZ      3.63            #peak 70 #SUP 0.78 #QF 0.78
 38 PHE  HA     38 PHE  QD      4.59            #peak 75 #SUP 0.88 #QF 0.88
 38 PHE  QD     42 GLN  QG      4.42            #peak 83 #SUP 0.79 #QF 0.79
 27 TYR  QE     31 CYSS HB2     4.77            #peak 85 #SUP 0.64 #QF 0.64
 27 TYR  QD     41 CYSS HB2     5.28            #peak 90 #SUP 0.49 #QF 0.49
  2 ASP  H       2 ASP  QB      3.39            #peak 254
  2 ASP  HA      3 ASN  QB      4.31            #peak 625
  2 ASP  QB      3 ASN  H       3.73            #peak 871
  2 ASP  QB      4 LYS  H       4.99            #peak 273
  3 ASN  H       3 ASN  QB      2.84            #peak 261
  3 ASN  H       4 LYS  QG      5.34            #peak 264
  3 ASN  HA      4 LYS  QG      4.39            #peak 635
  3 ASN  QB      4 LYS  H       3.99            #peak 272
  3 ASN  QB      5 CYSS H       4.87            #peak 288
  3 ASN  QB      6 GLU  H       4.90            #peak 293
  3 ASN  QB      6 GLU  QG      4.45            #peak 722
  4 LYS  H       4 LYS  QG      2.89            #peak 923
  4 LYS  H       4 LYS  QD      3.68            #peak 920
  4 LYS  H       4 LYS  QE      5.34            #peak 927
  4 LYS  H       5 CYSS QB      4.93            #peak 277
  4 LYS  HA      4 LYS  QG      3.36            #peak 660
  4 LYS  HA      4 LYS  QD      3.95            #peak 674
  4 LYS  HB2     4 LYS  QD      3.57            #peak 670
  4 LYS  HB2     4 LYS  QE      4.01            #peak 696
  4 LYS  HB2    11 ARG  QD      5.17            #peak 796
  4 LYS  HB3     4 LYS  QE      4.15            #peak 701
  4 LYS  QG      4 LYS  QD      2.26            #peak 644
  4 LYS  QG      4 LYS  QE      3.32            #peak 698
  4 LYS  QG     33 THR  HA      5.34            #peak 1051
  4 LYS  QG     33 THR  QG2     5.05            #peak 1049
  5 CYSS H       5 CYSS QB      3.01            #peak 91
  5 CYSS HA      6 GLU  QB      5.34            #peak 1188
  5 CYSS HA     11 ARG  QB      3.45            #peak 114
  5 CYSS QB      6 GLU  H       3.80            #peak 295
  5 CYSS QB     12 GLU  H       4.88            #peak 710
  5 CYSS QB     12 GLU  HA      3.74            #peak 1230
  5 CYSS QB     12 GLU  HB2     3.45            #peak 715
  5 CYSS QB     12 GLU  HB3     4.31            #peak 1252
  6 GLU  H       6 GLU  QB      2.81            #peak 201
  6 GLU  QB      7 ASN  H       3.52            #peak 304
  7 ASN  H       7 ASN  QB      3.33            #peak 203
  7 ASN  H       8 SER  QB      4.34            #peak 308
  7 ASN  QB      8 SER  H       4.06            #peak 314
  8 SER  H       8 SER  QB      3.08            #peak 919
  8 SER  H      11 ARG  QB      4.39            #peak 315
  8 SER  QB      9 LEU  H       4.39            #peak 329
  8 SER  QB     11 ARG  H       4.23            #peak 345
  8 SER  QB     11 ARG  QB      3.46            #peak 745
 11 ARG  H      11 ARG  QB      2.93            #peak 207
 11 ARG  HA     11 ARG  QD      3.94            #peak 113
 11 ARG  QB     11 ARG  QD      3.28            #peak 120
 11 ARG  QB     12 GLU  H       3.14            #peak 348
 11 ARG  QB     32 CYSS HA      5.14            #peak 1454
 11 ARG  QD     14 ALA  QB      5.34            #peak 1507
 11 ARG  QD     32 CYSS HA      4.99            #peak 1453
 11 ARG  QD     38 PHE  HZ      3.79            #peak 793
 12 GLU  HA     15 CYSS QB      4.28            #peak 1304
 13 ILE  HA     17 GLN  QG      5.34            #peak 1506
 13 ILE  QG2    17 GLN  QG      3.83            #peak 877
 13 ILE  QG2    17 GLN  QE2     3.73            #peak 821
 15 CYSS H      15 CYSS QB      3.33            #peak 75
 15 CYSS QB     16 GLY  H       3.57            #peak 394
 15 CYSS QB     16 GLY  HA2     4.22            #peak 1440
 15 CYSS QB     28 PHE  HA      3.64            #peak 855
 15 CYSS QB     28 PHE  QE      4.04            #peak 1301
 16 GLY  H      19 ARG  QD      5.34            #peak 393
 17 GLN  H      17 GLN  QG      2.74            #peak 213
 17 GLN  HA     17 GLN  QG      3.04            #peak 238
 18 CYSS HA     21 LYS  QG      3.85            #peak 891
 19 ARG  H      19 ARG  QG      4.48            #peak 431
 19 ARG  H      19 ARG  QD      4.56            #peak 427
 19 ARG  HA     19 ARG  QD      4.50            #peak 256
 19 ARG  HB2    19 ARG  QD      3.60            #peak 934
 19 ARG  QG     20 ASP  H       4.64            #peak 450
 19 ARG  QG     20 ASP  HA      5.34            #peak 1532
 19 ARG  QG     24 THR  H       4.84            #peak 924
 19 ARG  QG     27 TYR  H       5.14            #peak 507
 19 ARG  QG     27 TYR  HB3     4.38            #peak 1415
 19 ARG  QG     28 PHE  QB      3.84            #peak 1341
 19 ARG  QD     20 ASP  H       5.34            #peak 446
 20 ASP  H      21 LYS  QG      4.75            #peak 451
 20 ASP  QB     21 LYS  QG      4.20            #peak 1361
 21 LYS  H      21 LYS  QG      4.26            #peak 1152
 21 LYS  HA     21 LYS  QG      3.43            #peak 285
 21 LYS  QG     22 VAL  H       4.39            #peak 474
 21 LYS  QG     44 LEU  QD1     5.34            #peak 1625
 22 VAL  H      23 LYS  QG      4.83            #peak 473
 23 LYS  H      23 LYS  QG      3.31            #peak 225
 23 LYS  H      23 LYS  QD      5.18            #peak 223
 23 LYS  HA     23 LYS  QG      3.44            #peak 324
 23 LYS  HA     23 LYS  QD      4.08            #peak 326
 23 LYS  QB     23 LYS  QD      3.43            #peak 347
 25 ASP  H      25 ASP  QB      2.78            #peak 227
 25 ASP  QB     26 GLY  H       3.52            #peak 504
 26 GLY  QA     27 TYR  HB3     5.34            #peak 1398
 26 GLY  QA     29 TYR  H       4.36            #peak 537
 26 GLY  QA     30 GLU  H       4.65            #peak 553
 27 TYR  HA     30 GLU  QB      3.39            #peak 979
 27 TYR  HA     30 GLU  QG      4.92            #peak 1411
 27 TYR  QE     31 CYSS QB      4.05            #peak 85
 29 TYR  H      29 TYR  QB      2.83            #peak 229
 29 TYR  QB     30 GLU  H       3.16            #peak 549
 29 TYR  QB     31 CYSS H       5.34            #peak 566
 29 TYR  QB     32 CYSS H       5.34            #peak 798
 30 GLU  H      30 GLU  QG      4.20            #peak 547
 30 GLU  HA     30 GLU  QG      3.48            #peak 405
 30 GLU  QB     31 CYSS H       3.17            #peak 570
 30 GLU  QB     37 THR  QG2     3.94            #peak 1025
 30 GLU  QG     34 SER  H       5.34            #peak 599
 30 GLU  QG     34 SER  QB      4.12            #peak 1026
 30 GLU  QG     37 THR  H       5.34            #peak 1445
 30 GLU  QG     37 THR  HB      4.76            #peak 1026
 31 CYSS H      31 CYSS QB      3.01            #peak 233
 31 CYSS H      34 SER  QB      5.23            #peak 565
 31 CYSS QB     32 CYSS H       3.80            #peak 582
 31 CYSS QB     32 CYSS HA      4.56            #peak 1441
 31 CYSS QB     34 SER  H       5.34            #peak 599
 31 CYSS QB     37 THR  QG2     4.03            #peak 1037
 31 CYSS QB     38 PHE  H       5.02            #peak 640
 33 THR  H      34 SER  QB      4.16            #peak 589
 34 SER  H      34 SER  QB      2.69            #peak 83
 34 SER  QB     36 SER  H       5.34            #peak 618
 34 SER  QB     37 THR  H       4.07            #peak 1057
 35 ASP  H      35 ASP  QB      3.05            #peak 237
 35 ASP  HA     38 PHE  QB      3.98            #peak 1081
 36 SER  H      36 SER  QB      2.90            #peak 87
 36 SER  QB     37 THR  H       3.86            #peak 834
 36 SER  QB     38 PHE  H       5.34            #peak 1551
 37 THR  H      38 PHE  QB      4.77            #peak 628
 38 PHE  QB     39 LYS  H       3.85            #peak 658
 38 PHE  HZ     42 GLN  QE2     5.34            #peak 854
 39 LYS  H      39 LYS  QG      3.41            #peak 241
 39 LYS  HA     39 LYS  QG      3.38            #peak 501
 39 LYS  HA     42 GLN  QE2     5.06            #peak 840
 39 LYS  QG     40 LYS  H       4.44            #peak 702
 43 ASP  HA     46 HIS  QB      4.02            #peak 1549

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1   1.807  -0.001   0.855
    2    HA   ALA   1           HA       ALA   1   1.435  -0.319  -2.038
    3    HB1  ALA   1           HB1      ALA   1   2.073   1.765  -2.447
    4    HB2  ALA   1           HB2      ALA   1   2.363   2.059  -0.732
    5    HB3  ALA   1           HB3      ALA   1   3.644   1.385  -1.741
    6    H    ASP   2           H        ASP   2   3.674  -0.685  -3.098
    7    HA   ASP   2           HA       ASP   2   4.936  -2.848  -1.627
    8    HB2  ASP   2           HB2      ASP   2   5.625  -1.914  -4.412
    9    HB3  ASP   2           HB3      ASP   2   5.917  -3.497  -3.696
   10    H    ASN   3           H        ASN   3   7.387  -3.045  -1.883
   11    HA   ASN   3           HA       ASN   3   8.564  -0.687  -0.722
   12    HB2  ASN   3           HB2      ASN   3   9.006  -3.241  -0.205
   13    HB3  ASN   3           HB3      ASN   3  10.194  -3.071  -1.494
   14   HD21  ASN   3          HD21      ASN   3  11.161  -3.734   0.863
   15   HD22  ASN   3          HD22      ASN   3  11.949  -2.403   1.632
   16    H    LYS   4           H        LYS   4   8.541   0.831  -2.402
   17    HA   LYS   4           HA       LYS   4   9.422   0.499  -5.001
   18    HB2  LYS   4           HB2      LYS   4   9.806   2.964  -3.292
   19    HB3  LYS   4           HB3      LYS   4   9.784   2.908  -5.050
   20    HG2  LYS   4           HG2      LYS   4   7.465   2.234  -3.250
   21    HG3  LYS   4           HG3      LYS   4   7.683   3.748  -4.130
   22    HD2  LYS   4           HD2      LYS   4   6.394   2.699  -5.666
   23    HD3  LYS   4           HD3      LYS   4   7.941   2.005  -6.158
   24    HE2  LYS   4           HE2      LYS   4   7.136  -0.022  -5.746
   25    HE3  LYS   4           HE3      LYS   4   6.952   0.413  -4.048
   26    HZ1  LYS   4           HZ1      LYS   4   4.941  -0.191  -5.817
   27    HZ2  LYS   4           HZ2      LYS   4   4.842   1.486  -5.625
   28    HZ3  LYS   4           HZ3      LYS   4   4.759   0.474  -4.272
   29    H    CYS   5           H        CYS   5  11.306   1.239  -2.099
   30    HA   CYS   5           HA       CYS   5  13.772   1.747  -3.261
   31    HB2  CYS   5           HB2      CYS   5  13.273   0.283  -0.661
   32    HB3  CYS   5           HB3      CYS   5  14.754   1.118  -1.119
   33    H    GLU   6           H        GLU   6  12.177  -1.313  -2.613
   34    HA   GLU   6           HA       GLU   6  14.288  -3.079  -2.918
   35    HB2  GLU   6           HB2      GLU   6  11.970  -3.693  -2.245
   36    HB3  GLU   6           HB3      GLU   6  11.466  -3.492  -3.917
   37    HG2  GLU   6           HG2      GLU   6  13.140  -5.250  -4.534
   38    HG3  GLU   6           HG3      GLU   6  13.371  -5.534  -2.810
   39    H    ASN   7           H        ASN   7  12.581  -1.221  -5.315
   40    HA   ASN   7           HA       ASN   7  13.903  -2.656  -7.495
   41    HB2  ASN   7           HB2      ASN   7  11.642  -0.681  -7.364
   42    HB3  ASN   7           HB3      ASN   7  12.483  -0.974  -8.884
   43   HD21  ASN   7          HD21      ASN   7  10.872  -1.975  -9.964
   44   HD22  ASN   7          HD22      ASN   7  10.194  -3.495  -9.501
   45    H    SER   8           H        SER   8  13.929   0.391  -5.803
   46    HA   SER   8           HA       SER   8  16.010   1.385  -7.633
   47    HB2  SER   8           HB2      SER   8  14.346   3.023  -7.632
   48    HB3  SER   8           HB3      SER   8  13.974   2.784  -5.925
   49    HG   SER   8           HG       SER   8  15.814   4.425  -7.098
   50    H    LEU   9           H        LEU   9  17.977   0.961  -6.883
   51    HA   LEU   9           HA       LEU   9  18.593   0.387  -4.196
   52    HB2  LEU   9           HB2      LEU   9  20.841   0.259  -4.873
   53    HB3  LEU   9           HB3      LEU   9  19.887  -0.296  -6.247
   54    HG   LEU   9           HG       LEU   9  20.165   2.257  -6.961
   55   HD11  LEU   9          HD11      LEU   9  22.741   2.605  -6.401
   56   HD12  LEU   9          HD12      LEU   9  22.265   1.751  -4.934
   57   HD13  LEU   9          HD13      LEU   9  21.455   3.252  -5.382
   58   HD21  LEU   9          HD21      LEU   9  21.721   1.531  -8.522
   59   HD22  LEU   9          HD22      LEU   9  20.901   0.038  -8.061
   60   HD23  LEU   9          HD23      LEU   9  22.488   0.417  -7.391
   61    H    ARG  10           H        ARG  10  18.733   3.351  -6.080
   62    HA   ARG  10           HA       ARG  10  20.208   4.906  -4.256
   63    HB2  ARG  10           HB2      ARG  10  18.422   5.448  -6.566
   64    HB3  ARG  10           HB3      ARG  10  18.706   6.778  -5.452
   65    HG2  ARG  10           HG2      ARG  10  21.198   6.224  -5.759
   66    HG3  ARG  10           HG3      ARG  10  20.665   5.319  -7.177
   67    HD2  ARG  10           HD2      ARG  10  19.921   7.223  -8.270
   68    HD3  ARG  10           HD3      ARG  10  19.770   8.143  -6.774
   69    HE   ARG  10           HE       ARG  10  21.943   8.795  -7.017
   70   HH11  ARG  10          HH11      ARG  10  21.399   5.967  -8.973
   71   HH12  ARG  10          HH12      ARG  10  22.964   6.018  -9.714
   72   HH21  ARG  10          HH21      ARG  10  24.007   8.872  -7.985
   73   HH22  ARG  10          HH22      ARG  10  24.447   7.670  -9.150
   74    H    ARG  11           H        ARG  11  16.715   4.422  -4.649
   75    HA   ARG  11           HA       ARG  11  15.885   6.231  -2.668
   76    HB2  ARG  11           HB2      ARG  11  14.460   5.091  -4.442
   77    HB3  ARG  11           HB3      ARG  11  14.447   3.681  -3.391
   78    HG2  ARG  11           HG2      ARG  11  12.468   4.746  -2.858
   79    HG3  ARG  11           HG3      ARG  11  13.565   5.309  -1.596
   80    HD2  ARG  11           HD2      ARG  11  13.812   7.416  -2.598
   81    HD3  ARG  11           HD3      ARG  11  13.154   6.855  -4.134
   82    HE   ARG  11           HE       ARG  11  11.272   6.682  -1.982
   83   HH11  ARG  11          HH11      ARG  11  12.674   8.801  -4.362
   84   HH12  ARG  11          HH12      ARG  11  11.310   9.868  -4.406
   85   HH21  ARG  11          HH21      ARG  11   9.470   8.079  -2.031
   86   HH22  ARG  11          HH22      ARG  11   9.488   9.457  -3.079
   87    H    GLU  12           H        GLU  12  16.951   2.895  -2.500
   88    HA   GLU  12           HA       GLU  12  16.129   2.454   0.194
   89    HB2  GLU  12           HB2      GLU  12  16.744   0.739  -1.676
   90    HB3  GLU  12           HB3      GLU  12  18.388   0.962  -1.095
   91    HG2  GLU  12           HG2      GLU  12  17.305   0.474   1.236
   92    HG3  GLU  12           HG3      GLU  12  16.050  -0.285   0.258
   93    H    ILE  13           H        ILE  13  19.231   3.284  -1.321
   94    HA   ILE  13           HA       ILE  13  20.724   3.352   1.077
   95    HB   ILE  13           HB       ILE  13  21.247   4.811  -1.516
   96   HG12  ILE  13          HG12      ILE  13  22.538   2.254  -0.586
   97   HG13  ILE  13          HG13      ILE  13  21.041   2.242  -1.511
   98   HG21  ILE  13          HG21      ILE  13  23.611   4.798  -0.719
   99   HG22  ILE  13          HG22      ILE  13  22.532   5.817   0.232
  100   HG23  ILE  13          HG23      ILE  13  23.025   4.240   0.848
  101   HD11  ILE  13          HD11      ILE  13  23.667   3.408  -2.401
  102   HD12  ILE  13          HD12      ILE  13  22.947   1.896  -2.955
  103   HD13  ILE  13          HD13      ILE  13  22.166   3.433  -3.326
  104    H    ALA  14           H        ALA  14  18.773   5.736  -0.595
  105    HA   ALA  14           HA       ALA  14  19.673   7.994   0.880
  106    HB1  ALA  14           HB1      ALA  14  18.641   8.818  -0.934
  107    HB2  ALA  14           HB2      ALA  14  17.575   7.420  -1.087
  108    HB3  ALA  14           HB3      ALA  14  17.184   8.706   0.055
  109    H    CYS  15           H        CYS  15  16.737   5.987   1.124
  110    HA   CYS  15           HA       CYS  15  15.622   7.270   3.342
  111    HB2  CYS  15           HB2      CYS  15  15.298   4.617   2.041
  112    HB3  CYS  15           HB3      CYS  15  14.681   4.782   3.682
  113    H    GLY  16           H        GLY  16  17.973   4.648   3.129
  114    HA2  GLY  16           HA2      GLY  16  18.032   3.793   5.761
  115    HA3  GLY  16           HA3      GLY  16  19.428   3.805   4.694
  116    H    GLN  17           H        GLN  17  19.707   6.566   4.323
  117    HA   GLN  17           HA       GLN  17  21.161   7.253   6.652
  118    HB2  GLN  17           HB2      GLN  17  20.346   8.918   4.267
  119    HB3  GLN  17           HB3      GLN  17  21.458   9.460   5.517
  120    HG2  GLN  17           HG2      GLN  17  22.801   7.343   4.927
  121    HG3  GLN  17           HG3      GLN  17  21.838   7.334   3.451
  122   HE21  GLN  17          HE21      GLN  17  23.658   7.700   2.180
  123   HE22  GLN  17          HE22      GLN  17  24.430   9.244   2.108
  124    H    CYS  18           H        CYS  18  18.240   8.714   5.217
  125    HA   CYS  18           HA       CYS  18  17.726  10.550   7.247
  126    HB2  CYS  18           HB2      CYS  18  16.108   9.260   5.110
  127    HB3  CYS  18           HB3      CYS  18  15.232  10.067   6.406
  128    H    ARG  19           H        ARG  19  17.022   7.133   7.039
  129    HA   ARG  19           HA       ARG  19  15.102   6.892   9.044
  130    HB2  ARG  19           HB2      ARG  19  15.573   5.011   7.649
  131    HB3  ARG  19           HB3      ARG  19  17.265   4.999   8.130
  132    HG2  ARG  19           HG2      ARG  19  16.589   4.379  10.413
  133    HG3  ARG  19           HG3      ARG  19  14.908   4.329   9.879
  134    HD2  ARG  19           HD2      ARG  19  15.179   2.375   8.765
  135    HD3  ARG  19           HD3      ARG  19  16.837   2.750   8.296
  136    HE   ARG  19           HE       ARG  19  15.991   1.277  10.595
  137   HH11  ARG  19          HH11      ARG  19  18.479   3.361   9.336
  138   HH12  ARG  19          HH12      ARG  19  19.705   2.759  10.402
  139   HH21  ARG  19          HH21      ARG  19  17.595   0.477  12.005
  140   HH22  ARG  19          HH22      ARG  19  19.201   1.118  11.920
  141    H    ASP  20           H        ASP  20  18.606   7.127   9.251
  142    HA   ASP  20           HA       ASP  20  18.642   6.653  12.099
  143    HB2  ASP  20           HB2      ASP  20  20.517   6.000  10.558
  144    HB3  ASP  20           HB3      ASP  20  20.871   7.714  10.355
  145    H    LYS  21           H        LYS  21  19.200   9.430   9.951
  146    HA   LYS  21           HA       LYS  21  19.724  11.335  11.924
  147    HB2  LYS  21           HB2      LYS  21  18.375  11.739   9.247
  148    HB3  LYS  21           HB3      LYS  21  19.096  13.007  10.230
  149    HG2  LYS  21           HG2      LYS  21  20.677  10.663   9.220
  150    HG3  LYS  21           HG3      LYS  21  20.467  12.146   8.286
  151    HD2  LYS  21           HD2      LYS  21  21.651  13.431   9.836
  152    HD3  LYS  21           HD3      LYS  21  21.468  12.225  11.112
  153    HE2  LYS  21           HE2      LYS  21  22.834  10.735   9.415
  154    HE3  LYS  21           HE3      LYS  21  23.369  12.306   8.822
  155    HZ1  LYS  21           HZ1      LYS  21  24.919  11.661  10.442
  156    HZ2  LYS  21           HZ2      LYS  21  23.723  11.166  11.531
  157    HZ3  LYS  21           HZ3      LYS  21  23.944  12.812  11.208
  158    H    VAL  22           H        VAL  22  16.644  10.843  10.185
  159    HA   VAL  22           HA       VAL  22  15.076  12.545  11.706
  160    HB   VAL  22           HB       VAL  22  14.160   9.940  10.481
  161   HG11  VAL  22          HG11      VAL  22  12.793  12.188  11.767
  162   HG12  VAL  22          HG12      VAL  22  12.132  11.739  10.194
  163   HG13  VAL  22          HG13      VAL  22  12.243  10.538  11.481
  164   HG21  VAL  22          HG21      VAL  22  13.558  12.214   8.875
  165   HG22  VAL  22          HG22      VAL  22  15.285  12.217   9.231
  166   HG23  VAL  22          HG23      VAL  22  14.544  10.808   8.473
  167    H    LYS  23           H        LYS  23  16.247   9.359  12.451
  168    HA   LYS  23           HA       LYS  23  16.085   8.036  14.294
  169    HB2  LYS  23           HB2      LYS  23  15.547  10.754  15.469
  170    HB3  LYS  23           HB3      LYS  23  15.572   9.309  16.472
  171    HG2  LYS  23           HG2      LYS  23  17.852  10.248  14.744
  172    HG3  LYS  23           HG3      LYS  23  17.710  10.523  16.482
  173    HD2  LYS  23           HD2      LYS  23  17.535   7.998  16.714
  174    HD3  LYS  23           HD3      LYS  23  18.051   7.910  15.028
  175    HE2  LYS  23           HE2      LYS  23  20.090   9.148  15.601
  176    HE3  LYS  23           HE3      LYS  23  19.573   9.212  17.285
  177    HZ1  LYS  23           HZ1      LYS  23  19.821   6.903  17.510
  178    HZ2  LYS  23           HZ2      LYS  23  21.205   7.410  16.681
  179    HZ3  LYS  23           HZ3      LYS  23  19.945   6.655  15.841
  180    H    THR  24           H        THR  24  13.953   7.711  12.744
  181    HA   THR  24           HA       THR  24  11.754   7.433  14.674
  182    HB   THR  24           HB       THR  24  11.441   8.348  11.807
  183    HG1  THR  24           HG1      THR  24  10.961   9.650  14.299
  184   HG21  THR  24          HG21      THR  24   9.513   7.148  12.068
  185   HG22  THR  24          HG22      THR  24   9.003   8.659  12.821
  186   HG23  THR  24          HG23      THR  24   9.523   7.305  13.824
  187    H    ASP  25           H        ASP  25  11.358   5.342  14.917
  188    HA   ASP  25           HA       ASP  25  12.293   3.328  13.189
  189    HB2  ASP  25           HB2      ASP  25  10.014   3.012  15.141
  190    HB3  ASP  25           HB3      ASP  25  11.152   1.782  14.598
  191    H    GLY  26           H        GLY  26  11.480   2.466  11.386
  192    HA2  GLY  26           HA2      GLY  26   9.754   1.655   9.990
  193    HA3  GLY  26           HA3      GLY  26   8.612   2.680  10.846
  194    H    TYR  27           H        TYR  27  10.801   4.862  10.508
  195    HA   TYR  27           HA       TYR  27   9.608   6.299   8.477
  196    HB2  TYR  27           HB2      TYR  27  11.212   7.182  10.199
  197    HB3  TYR  27           HB3      TYR  27  12.525   6.505   9.243
  198    HD1  TYR  27           HD1      TYR  27   9.876   9.064   9.317
  199    HD2  TYR  27           HD2      TYR  27  13.274   7.574   7.236
  200    HE1  TYR  27           HE1      TYR  27   9.944  11.120   7.969
  201    HE2  TYR  27           HE2      TYR  27  13.353   9.627   5.883
  202    HH   TYR  27           HH       TYR  27  10.897  11.707   5.555
  203    H    PHE  28           H        PHE  28  12.447   4.182   8.296
  204    HA   PHE  28           HA       PHE  28  13.169   4.640   5.655
  205    HB2  PHE  28           HB2      PHE  28  14.613   3.354   7.072
  206    HB3  PHE  28           HB3      PHE  28  13.369   2.137   7.333
  207    HD1  PHE  28           HD1      PHE  28  15.877   3.430   5.014
  208    HD2  PHE  28           HD2      PHE  28  12.879   0.475   5.648
  209    HE1  PHE  28           HE1      PHE  28  16.755   2.136   3.114
  210    HE2  PHE  28           HE2      PHE  28  13.753  -0.823   3.750
  211    HZ   PHE  28           HZ       PHE  28  15.694   0.006   2.480
  212    H    TYR  29           H        TYR  29  10.834   2.318   6.968
  213    HA   TYR  29           HA       TYR  29  10.144   1.255   4.402
  214    HB2  TYR  29           HB2      TYR  29   9.872  -0.157   6.329
  215    HB3  TYR  29           HB3      TYR  29   8.829   1.025   7.113
  216    HD1  TYR  29           HD1      TYR  29   9.031  -1.263   4.193
  217    HD2  TYR  29           HD2      TYR  29   6.506   0.965   6.794
  218    HE1  TYR  29           HE1      TYR  29   7.061  -2.359   3.210
  219    HE2  TYR  29           HE2      TYR  29   4.529  -0.126   5.819
  220    HH   TYR  29           HH       TYR  29   4.128  -2.441   4.582
  221    H    GLU  30           H        GLU  30   9.111   3.939   6.313
  222    HA   GLU  30           HA       GLU  30   6.554   4.278   5.077
  223    HB2  GLU  30           HB2      GLU  30   6.936   5.189   7.283
  224    HB3  GLU  30           HB3      GLU  30   8.272   6.167   6.692
  225    HG2  GLU  30           HG2      GLU  30   6.735   7.473   5.332
  226    HG3  GLU  30           HG3      GLU  30   5.388   6.478   5.885
  227    H    CYS  31           H        CYS  31   9.643   6.035   4.793
  228    HA   CYS  31           HA       CYS  31   8.834   7.710   2.684
  229    HB2  CYS  31           HB2      CYS  31  11.260   8.091   2.333
  230    HB3  CYS  31           HB3      CYS  31  10.788   8.236   4.023
  231    H    CYS  32           H        CYS  32   9.974   4.429   2.750
  232    HA   CYS  32           HA       CYS  32  10.775   4.202   0.051
  233    HB2  CYS  32           HB2      CYS  32  10.077   2.309   2.238
  234    HB3  CYS  32           HB3      CYS  32  10.062   1.684   0.592
  235    H    THR  33           H        THR  33   7.681   4.262   1.580
  236    HA   THR  33           HA       THR  33   6.413   3.695  -1.019
  237    HB   THR  33           HB       THR  33   4.545   2.638   0.072
  238    HG1  THR  33           HG1      THR  33   5.786   2.729   2.591
  239   HG21  THR  33          HG21      THR  33   6.946   1.476  -0.195
  240   HG22  THR  33          HG22      THR  33   5.538   0.626   0.442
  241   HG23  THR  33          HG23      THR  33   6.737   1.299   1.546
  242    H    SER  34           H        SER  34   7.222   6.198   0.521
  243    HA   SER  34           HA       SER  34   4.624   7.546   0.258
  244    HB2  SER  34           HB2      SER  34   6.616   7.980   2.496
  245    HB3  SER  34           HB3      SER  34   5.176   8.959   2.219
  246    HG   SER  34           HG       SER  34   5.339   6.755   3.618
  247    H    ASP  35           H        ASP  35   4.942   8.712  -1.538
  248    HA   ASP  35           HA       ASP  35   7.429   9.776  -2.357
  249    HB2  ASP  35           HB2      ASP  35   4.587  10.143  -3.224
  250    HB3  ASP  35           HB3      ASP  35   5.822  11.236  -3.840
  251    H    SER  36           H        SER  36   4.741  11.095  -0.518
  252    HA   SER  36           HA       SER  36   5.642  13.792  -0.549
  253    HB2  SER  36           HB2      SER  36   3.661  12.267   1.125
  254    HB3  SER  36           HB3      SER  36   4.074  13.937   1.510
  255    HG   SER  36           HG       SER  36   3.502  14.400  -0.735
  256    H    THR  37           H        THR  37   5.964  11.136   1.776
  257    HA   THR  37           HA       THR  37   7.269  12.540   3.809
  258    HB   THR  37           HB       THR  37   7.704   9.639   3.078
  259    HG1  THR  37           HG1      THR  37   5.963   9.270   4.526
  260   HG21  THR  37          HG21      THR  37   8.783  11.294   5.134
  261   HG22  THR  37          HG22      THR  37   9.036   9.570   4.861
  262   HG23  THR  37          HG23      THR  37   7.699  10.117   5.872
  263    H    PHE  38           H        PHE  38   8.440  11.301   0.779
  264    HA   PHE  38           HA       PHE  38  11.205  11.302   1.399
  265    HB2  PHE  38           HB2      PHE  38   9.988  10.193  -0.590
  266    HB3  PHE  38           HB3      PHE  38  10.101  11.772  -1.360
  267    HD1  PHE  38           HD1      PHE  38  12.284   9.338   0.438
  268    HD2  PHE  38           HD2      PHE  38  11.905  12.171  -2.717
  269    HE1  PHE  38           HE1      PHE  38  14.565   8.803  -0.312
  270    HE2  PHE  38           HE2      PHE  38  14.185  11.640  -3.472
  271    HZ   PHE  38           HZ       PHE  38  15.519   9.954  -2.270
  272    H    LYS  39           H        LYS  39   8.972  13.758   0.302
  273    HA   LYS  39           HA       LYS  39  10.681  15.695  -0.670
  274    HB2  LYS  39           HB2      LYS  39   8.168  16.026   0.976
  275    HB3  LYS  39           HB3      LYS  39   8.973  17.345   0.136
  276    HG2  LYS  39           HG2      LYS  39   8.703  15.700  -1.924
  277    HG3  LYS  39           HG3      LYS  39   7.361  15.104  -0.943
  278    HD2  LYS  39           HD2      LYS  39   6.314  16.750  -2.160
  279    HD3  LYS  39           HD3      LYS  39   6.795  17.656  -0.724
  280    HE2  LYS  39           HE2      LYS  39   8.680  17.519  -3.024
  281    HE3  LYS  39           HE3      LYS  39   7.270  18.569  -3.153
  282    HZ1  LYS  39           HZ1      LYS  39   8.356  19.052  -0.662
  283    HZ2  LYS  39           HZ2      LYS  39   8.407  20.069  -2.012
  284    HZ3  LYS  39           HZ3      LYS  39   9.675  18.989  -1.720
  285    H    LYS  40           H        LYS  40   9.599  15.304   2.705
  286    HA   LYS  40           HA       LYS  40  11.155  17.359   3.794
  287    HB2  LYS  40           HB2      LYS  40  10.043  14.825   4.992
  288    HB3  LYS  40           HB3      LYS  40  10.913  16.017   5.949
  289    HG2  LYS  40           HG2      LYS  40   8.728  16.632   6.297
  290    HG3  LYS  40           HG3      LYS  40   9.188  17.687   4.960
  291    HD2  LYS  40           HD2      LYS  40   7.996  16.427   3.399
  292    HD3  LYS  40           HD3      LYS  40   7.932  15.012   4.452
  293    HE2  LYS  40           HE2      LYS  40   6.282  15.968   5.818
  294    HE3  LYS  40           HE3      LYS  40   6.580  17.589   5.191
  295    HZ1  LYS  40           HZ1      LYS  40   5.099  15.368   3.958
  296    HZ2  LYS  40           HZ2      LYS  40   5.824  16.531   2.968
  297    HZ3  LYS  40           HZ3      LYS  40   4.662  16.995   4.106
  298    H    CYS  41           H        CYS  41  11.827  13.866   3.608
  299    HA   CYS  41           HA       CYS  41  14.328  13.880   4.820
  300    HB2  CYS  41           HB2      CYS  41  13.220  11.795   4.374
  301    HB3  CYS  41           HB3      CYS  41  13.221  12.103   2.641
  302    H    GLN  42           H        GLN  42  13.403  14.670   1.530
  303    HA   GLN  42           HA       GLN  42  15.995  14.688   0.408
  304    HB2  GLN  42           HB2      GLN  42  13.345  15.827  -0.361
  305    HB3  GLN  42           HB3      GLN  42  14.779  16.392  -1.206
  306    HG2  GLN  42           HG2      GLN  42  15.265  13.852  -1.505
  307    HG3  GLN  42           HG3      GLN  42  13.540  13.682  -1.181
  308   HE21  GLN  42          HE21      GLN  42  12.050  14.611  -2.623
  309   HE22  GLN  42          HE22      GLN  42  12.494  15.005  -4.245
  310    H    ASP  43           H        ASP  43  14.136  17.073   2.175
  311    HA   ASP  43           HA       ASP  43  15.829  19.287   1.589
  312    HB2  ASP  43           HB2      ASP  43  13.416  19.353   2.437
  313    HB3  ASP  43           HB3      ASP  43  14.083  19.023   4.033
  314    H    LEU  44           H        LEU  44  15.635  16.980   4.265
  315    HA   LEU  44           HA       LEU  44  17.561  18.158   5.926
  316    HB2  LEU  44           HB2      LEU  44  17.028  15.207   5.663
  317    HB3  LEU  44           HB3      LEU  44  17.662  16.062   7.068
  318    HG   LEU  44           HG       LEU  44  14.850  16.182   5.984
  319   HD11  LEU  44          HD11      LEU  44  15.712  15.322   8.721
  320   HD12  LEU  44          HD12      LEU  44  15.688  14.187   7.372
  321   HD13  LEU  44          HD13      LEU  44  14.201  14.991   7.873
  322   HD21  LEU  44          HD21      LEU  44  16.323  17.927   7.875
  323   HD22  LEU  44          HD22      LEU  44  14.670  17.480   8.299
  324   HD23  LEU  44          HD23      LEU  44  14.998  18.307   6.775
  325    H    LEU  45           H        LEU  45  17.911  15.530   3.546
  326    HA   LEU  45           HA       LEU  45  20.691  15.227   3.838
  327    HB2  LEU  45           HB2      LEU  45  18.915  14.646   1.474
  328    HB3  LEU  45           HB3      LEU  45  20.585  14.105   1.633
  329    HG   LEU  45           HG       LEU  45  18.277  13.275   3.392
  330   HD11  LEU  45          HD11      LEU  45  18.747  11.040   2.353
  331   HD12  LEU  45          HD12      LEU  45  19.763  11.878   1.180
  332   HD13  LEU  45          HD13      LEU  45  18.039  12.239   1.270
  333   HD21  LEU  45          HD21      LEU  45  20.235  11.513   3.909
  334   HD22  LEU  45          HD22      LEU  45  19.965  12.973   4.861
  335   HD23  LEU  45          HD23      LEU  45  21.203  12.955   3.604
  336    H    HIS  46           H        HIS  46  18.776  17.530   2.098
  337    HA   HIS  46           HA       HIS  46  20.846  18.400   0.324
  338    HB2  HIS  46           HB2      HIS  46  18.116  19.365   1.057
  339    HB3  HIS  46           HB3      HIS  46  19.209  20.478   0.240
  340    HD1  HIS  46           HD1      HIS  46  17.092  20.141  -1.548
  341    HD2  HIS  46           HD2      HIS  46  19.880  17.081  -1.192
  342    HE1  HIS  46           HE1      HIS  46  16.852  18.765  -3.640
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  -0.461  -0.740  -1.138
    2    HA   ALA   1           HA       ALA   1   1.569   1.069  -2.125
    3    HB1  ALA   1           HB1      ALA   1   1.554   1.750  -0.016
    4    HB2  ALA   1           HB2      ALA   1   0.441   0.448   0.407
    5    HB3  ALA   1           HB3      ALA   1   2.182   0.183   0.497
    6    H    ASP   2           H        ASP   2   3.240   0.290  -3.227
    7    HA   ASP   2           HA       ASP   2   4.357  -2.319  -2.440
    8    HB2  ASP   2           HB2      ASP   2   4.773  -0.916  -5.082
    9    HB3  ASP   2           HB3      ASP   2   5.148  -2.590  -4.681
   10    H    ASN   3           H        ASN   3   6.630  -2.566  -2.344
   11    HA   ASN   3           HA       ASN   3   7.984  -0.259  -1.310
   12    HB2  ASN   3           HB2      ASN   3   8.568  -3.164  -1.556
   13    HB3  ASN   3           HB3      ASN   3   9.949  -2.079  -1.419
   14   HD21  ASN   3          HD21      ASN   3   7.937  -3.962   0.296
   15   HD22  ASN   3          HD22      ASN   3   8.015  -3.175   1.832
   16    H    LYS   4           H        LYS   4   8.916   1.223  -2.542
   17    HA   LYS   4           HA       LYS   4   9.628   0.661  -5.284
   18    HB2  LYS   4           HB2      LYS   4  10.055   3.197  -3.695
   19    HB3  LYS   4           HB3      LYS   4  10.124   3.030  -5.444
   20    HG2  LYS   4           HG2      LYS   4   7.667   2.594  -3.758
   21    HG3  LYS   4           HG3      LYS   4   8.035   4.060  -4.670
   22    HD2  LYS   4           HD2      LYS   4   7.861   1.347  -5.960
   23    HD3  LYS   4           HD3      LYS   4   6.459   2.401  -5.772
   24    HE2  LYS   4           HE2      LYS   4   7.704   4.171  -6.999
   25    HE3  LYS   4           HE3      LYS   4   8.997   3.006  -7.284
   26    HZ1  LYS   4           HZ1      LYS   4   7.084   1.589  -8.264
   27    HZ2  LYS   4           HZ2      LYS   4   7.758   2.831  -9.193
   28    HZ3  LYS   4           HZ3      LYS   4   6.279   3.070  -8.406
   29    H    CYS   5           H        CYS   5  11.322   1.535  -2.294
   30    HA   CYS   5           HA       CYS   5  13.904   1.735  -3.325
   31    HB2  CYS   5           HB2      CYS   5  14.655   1.220  -1.003
   32    HB3  CYS   5           HB3      CYS   5  13.416   2.468  -1.078
   33    H    GLU   6           H        GLU   6  11.945  -1.049  -2.677
   34    HA   GLU   6           HA       GLU   6  13.875  -3.033  -2.393
   35    HB2  GLU   6           HB2      GLU   6  11.055  -2.962  -3.337
   36    HB3  GLU   6           HB3      GLU   6  11.990  -4.406  -3.698
   37    HG2  GLU   6           HG2      GLU   6  11.513  -3.240  -0.965
   38    HG3  GLU   6           HG3      GLU   6  10.735  -4.670  -1.642
   39    H    ASN   7           H        ASN   7  12.868  -1.266  -5.203
   40    HA   ASN   7           HA       ASN   7  14.523  -3.005  -6.907
   41    HB2  ASN   7           HB2      ASN   7  12.307  -2.906  -7.782
   42    HB3  ASN   7           HB3      ASN   7  12.229  -1.159  -7.572
   43   HD21  ASN   7          HD21      ASN   7  13.968  -3.694  -9.310
   44   HD22  ASN   7          HD22      ASN   7  14.262  -2.761 -10.734
   45    H    SER   8           H        SER   8  14.034   0.249  -5.757
   46    HA   SER   8           HA       SER   8  16.154   1.280  -7.483
   47    HB2  SER   8           HB2      SER   8  14.182   2.602  -5.621
   48    HB3  SER   8           HB3      SER   8  15.531   3.483  -6.338
   49    HG   SER   8           HG       SER   8  14.700   2.833  -8.403
   50    H    LEU   9           H        LEU   9  18.181   1.154  -6.813
   51    HA   LEU   9           HA       LEU   9  18.905   0.521  -4.143
   52    HB2  LEU   9           HB2      LEU   9  21.133   0.548  -4.885
   53    HB3  LEU   9           HB3      LEU   9  20.181  -0.043  -6.246
   54    HG   LEU   9           HG       LEU   9  20.276   2.538  -6.910
   55   HD11  LEU   9          HD11      LEU   9  22.703   3.227  -6.444
   56   HD12  LEU   9          HD12      LEU   9  22.629   2.072  -5.114
   57   HD13  LEU   9          HD13      LEU   9  21.516   3.439  -5.157
   58   HD21  LEU   9          HD21      LEU   9  20.966   0.848  -8.413
   59   HD22  LEU   9          HD22      LEU   9  22.335   0.398  -7.396
   60   HD23  LEU   9          HD23      LEU   9  22.337   1.945  -8.245
   61    H    ARG  10           H        ARG  10  18.780   3.508  -5.992
   62    HA   ARG  10           HA       ARG  10  20.172   5.121  -4.124
   63    HB2  ARG  10           HB2      ARG  10  18.452   5.592  -6.500
   64    HB3  ARG  10           HB3      ARG  10  18.639   6.929  -5.373
   65    HG2  ARG  10           HG2      ARG  10  21.152   6.526  -5.588
   66    HG3  ARG  10           HG3      ARG  10  20.741   5.539  -6.993
   67    HD2  ARG  10           HD2      ARG  10  19.504   7.510  -7.910
   68    HD3  ARG  10           HD3      ARG  10  20.149   8.464  -6.574
   69    HE   ARG  10           HE       ARG  10  22.158   8.557  -7.663
   70   HH11  ARG  10          HH11      ARG  10  20.228   6.018  -9.058
   71   HH12  ARG  10          HH12      ARG  10  21.330   5.719 -10.361
   72   HH21  ARG  10          HH21      ARG  10  23.616   8.173  -9.374
   73   HH22  ARG  10          HH22      ARG  10  23.257   6.944 -10.540
   74    H    ARG  11           H        ARG  11  16.727   4.463  -4.646
   75    HA   ARG  11           HA       ARG  11  15.730   6.232  -2.707
   76    HB2  ARG  11           HB2      ARG  11  14.331   5.188  -4.443
   77    HB3  ARG  11           HB3      ARG  11  14.545   3.622  -3.670
   78    HG2  ARG  11           HG2      ARG  11  12.445   4.337  -2.964
   79    HG3  ARG  11           HG3      ARG  11  13.505   4.701  -1.602
   80    HD2  ARG  11           HD2      ARG  11  12.392   6.684  -1.744
   81    HD3  ARG  11           HD3      ARG  11  13.717   7.019  -2.858
   82    HE   ARG  11           HE       ARG  11  12.210   7.077  -4.579
   83   HH11  ARG  11          HH11      ARG  11  10.724   5.578  -1.810
   84   HH12  ARG  11          HH12      ARG  11   9.144   5.534  -2.518
   85   HH21  ARG  11          HH21      ARG  11  10.133   7.024  -5.522
   86   HH22  ARG  11          HH22      ARG  11   8.809   6.356  -4.630
   87    H    GLU  12           H        GLU  12  16.873   2.909  -2.490
   88    HA   GLU  12           HA       GLU  12  16.019   2.495   0.198
   89    HB2  GLU  12           HB2      GLU  12  16.643   0.749  -1.618
   90    HB3  GLU  12           HB3      GLU  12  18.296   1.013  -1.080
   91    HG2  GLU  12           HG2      GLU  12  17.233   0.569   1.288
   92    HG3  GLU  12           HG3      GLU  12  16.024  -0.280   0.325
   93    H    ILE  13           H        ILE  13  19.190   3.193  -1.260
   94    HA   ILE  13           HA       ILE  13  20.617   3.355   1.157
   95    HB   ILE  13           HB       ILE  13  21.201   4.736  -1.466
   96   HG12  ILE  13          HG12      ILE  13  22.518   2.234  -0.448
   97   HG13  ILE  13          HG13      ILE  13  20.994   2.148  -1.325
   98   HG21  ILE  13          HG21      ILE  13  23.596   4.236  -0.206
   99   HG22  ILE  13          HG22      ILE  13  22.778   5.795  -0.295
  100   HG23  ILE  13          HG23      ILE  13  22.548   4.759   1.113
  101   HD11  ILE  13          HD11      ILE  13  23.706   2.744  -2.291
  102   HD12  ILE  13          HD12      ILE  13  22.361   1.933  -3.093
  103   HD13  ILE  13          HD13      ILE  13  22.403   3.693  -3.004
  104    H    ALA  14           H        ALA  14  18.699   5.699  -0.600
  105    HA   ALA  14           HA       ALA  14  19.591   7.996   0.819
  106    HB1  ALA  14           HB1      ALA  14  18.566   8.275  -1.328
  107    HB2  ALA  14           HB2      ALA  14  17.084   7.492  -0.776
  108    HB3  ALA  14           HB3      ALA  14  17.548   9.063  -0.121
  109    H    CYS  15           H        CYS  15  16.891   5.751   1.239
  110    HA   CYS  15           HA       CYS  15  15.654   7.171   3.361
  111    HB2  CYS  15           HB2      CYS  15  15.388   4.481   2.134
  112    HB3  CYS  15           HB3      CYS  15  14.791   4.658   3.780
  113    H    GLY  16           H        GLY  16  18.069   4.600   3.231
  114    HA2  GLY  16           HA2      GLY  16  18.149   3.845   5.895
  115    HA3  GLY  16           HA3      GLY  16  19.539   3.837   4.820
  116    H    GLN  17           H        GLN  17  19.787   6.577   4.338
  117    HA   GLN  17           HA       GLN  17  21.244   7.382   6.621
  118    HB2  GLN  17           HB2      GLN  17  20.363   8.942   4.189
  119    HB3  GLN  17           HB3      GLN  17  21.477   9.555   5.404
  120    HG2  GLN  17           HG2      GLN  17  22.879   7.473   4.882
  121    HG3  GLN  17           HG3      GLN  17  21.882   7.340   3.434
  122   HE21  GLN  17          HE21      GLN  17  23.184   7.923   1.830
  123   HE22  GLN  17          HE22      GLN  17  24.077   9.399   1.750
  124    H    CYS  18           H        CYS  18  18.288   8.757   5.172
  125    HA   CYS  18           HA       CYS  18  17.765  10.638   7.158
  126    HB2  CYS  18           HB2      CYS  18  16.131   9.260   5.082
  127    HB3  CYS  18           HB3      CYS  18  15.275  10.129   6.352
  128    H    ARG  19           H        ARG  19  17.101   7.208   7.042
  129    HA   ARG  19           HA       ARG  19  15.194   6.981   9.052
  130    HB2  ARG  19           HB2      ARG  19  15.826   5.101   7.640
  131    HB3  ARG  19           HB3      ARG  19  17.439   5.087   8.340
  132    HG2  ARG  19           HG2      ARG  19  16.331   4.629  10.564
  133    HG3  ARG  19           HG3      ARG  19  14.843   4.350   9.656
  134    HD2  ARG  19           HD2      ARG  19  16.485   2.784   8.253
  135    HD3  ARG  19           HD3      ARG  19  17.319   2.728   9.805
  136    HE   ARG  19           HE       ARG  19  14.759   2.203  10.478
  137   HH11  ARG  19          HH11      ARG  19  16.912   0.864   8.092
  138   HH12  ARG  19          HH12      ARG  19  16.195  -0.712   8.140
  139   HH21  ARG  19          HH21      ARG  19  13.806   0.131  10.550
  140   HH22  ARG  19          HH22      ARG  19  14.428  -1.128   9.537
  141    H    ASP  20           H        ASP  20  18.689   7.316   9.267
  142    HA   ASP  20           HA       ASP  20  18.721   6.938  12.130
  143    HB2  ASP  20           HB2      ASP  20  20.635   6.241  10.740
  144    HB3  ASP  20           HB3      ASP  20  20.898   7.918  10.270
  145    H    LYS  21           H        LYS  21  19.197   9.654   9.889
  146    HA   LYS  21           HA       LYS  21  19.679  11.642  11.786
  147    HB2  LYS  21           HB2      LYS  21  18.257  11.948   9.135
  148    HB3  LYS  21           HB3      LYS  21  19.030  13.235  10.052
  149    HG2  LYS  21           HG2      LYS  21  21.190  12.338   9.656
  150    HG3  LYS  21           HG3      LYS  21  20.517  10.843   9.001
  151    HD2  LYS  21           HD2      LYS  21  19.897  11.842   7.010
  152    HD3  LYS  21           HD3      LYS  21  19.847  13.458   7.718
  153    HE2  LYS  21           HE2      LYS  21  22.350  11.848   7.228
  154    HE3  LYS  21           HE3      LYS  21  21.757  13.141   6.187
  155    HZ1  LYS  21           HZ1      LYS  21  23.235  14.269   7.486
  156    HZ2  LYS  21           HZ2      LYS  21  22.966  13.310   8.853
  157    HZ3  LYS  21           HZ3      LYS  21  21.832  14.484   8.407
  158    H    VAL  22           H        VAL  22  16.595  10.981  10.113
  159    HA   VAL  22           HA       VAL  22  14.990  12.691  11.585
  160    HB   VAL  22           HB       VAL  22  14.140  10.007  10.489
  161   HG11  VAL  22          HG11      VAL  22  12.720  12.314  11.636
  162   HG12  VAL  22          HG12      VAL  22  12.045  11.681  10.133
  163   HG13  VAL  22          HG13      VAL  22  12.239  10.621  11.529
  164   HG21  VAL  22          HG21      VAL  22  13.452  12.165   8.773
  165   HG22  VAL  22          HG22      VAL  22  15.178  12.267   9.122
  166   HG23  VAL  22          HG23      VAL  22  14.502  10.787   8.442
  167    H    LYS  23           H        LYS  23  16.280   9.581  12.443
  168    HA   LYS  23           HA       LYS  23  16.197   8.337  14.346
  169    HB2  LYS  23           HB2      LYS  23  15.473  11.044  15.464
  170    HB3  LYS  23           HB3      LYS  23  15.728   9.630  16.477
  171    HG2  LYS  23           HG2      LYS  23  17.794  10.681  14.563
  172    HG3  LYS  23           HG3      LYS  23  17.690  11.173  16.255
  173    HD2  LYS  23           HD2      LYS  23  17.880   8.286  15.440
  174    HD3  LYS  23           HD3      LYS  23  19.313   9.287  15.682
  175    HE2  LYS  23           HE2      LYS  23  17.161   8.948  17.759
  176    HE3  LYS  23           HE3      LYS  23  18.584   7.913  17.667
  177    HZ1  LYS  23           HZ1      LYS  23  18.958  10.821  17.740
  178    HZ2  LYS  23           HZ2      LYS  23  19.964   9.593  18.322
  179    HZ3  LYS  23           HZ3      LYS  23  18.569  10.020  19.178
  180    H    THR  24           H        THR  24  14.069   7.856  12.829
  181    HA   THR  24           HA       THR  24  11.902   7.553  14.790
  182    HB   THR  24           HB       THR  24  11.522   8.362  11.900
  183    HG1  THR  24           HG1      THR  24  11.413   9.715  14.357
  184   HG21  THR  24          HG21      THR  24   9.560   7.294  12.087
  185   HG22  THR  24          HG22      THR  24   9.096   8.591  13.189
  186   HG23  THR  24          HG23      THR  24   9.748   7.082  13.827
  187    H    ASP  25           H        ASP  25  11.600   5.456  15.106
  188    HA   ASP  25           HA       ASP  25  12.604   3.429  13.431
  189    HB2  ASP  25           HB2      ASP  25  10.428   3.206  15.522
  190    HB3  ASP  25           HB3      ASP  25  11.382   1.878  14.867
  191    H    GLY  26           H        GLY  26  11.831   2.560  11.622
  192    HA2  GLY  26           HA2      GLY  26  10.113   1.599  10.293
  193    HA3  GLY  26           HA3      GLY  26   8.940   2.603  11.131
  194    H    TYR  27           H        TYR  27  11.066   4.843  10.687
  195    HA   TYR  27           HA       TYR  27   9.786   6.180   8.637
  196    HB2  TYR  27           HB2      TYR  27  11.386   7.171  10.300
  197    HB3  TYR  27           HB3      TYR  27  12.706   6.504   9.347
  198    HD1  TYR  27           HD1      TYR  27   9.977   8.979   9.375
  199    HD2  TYR  27           HD2      TYR  27  13.396   7.530   7.297
  200    HE1  TYR  27           HE1      TYR  27   9.960  10.989   7.958
  201    HE2  TYR  27           HE2      TYR  27  13.389   9.537   5.875
  202    HH   TYR  27           HH       TYR  27  12.061  12.241   6.518
  203    H    PHE  28           H        PHE  28  12.706   4.171   8.468
  204    HA   PHE  28           HA       PHE  28  13.353   4.565   5.798
  205    HB2  PHE  28           HB2      PHE  28  14.878   3.389   7.227
  206    HB3  PHE  28           HB3      PHE  28  13.691   2.132   7.556
  207    HD1  PHE  28           HD1      PHE  28  13.217   0.408   5.921
  208    HD2  PHE  28           HD2      PHE  28  16.116   3.430   5.160
  209    HE1  PHE  28           HE1      PHE  28  14.105  -0.920   4.049
  210    HE2  PHE  28           HE2      PHE  28  17.008   2.107   3.287
  211    HZ   PHE  28           HZ       PHE  28  16.003  -0.071   2.730
  212    H    TYR  29           H        TYR  29  11.143   2.196   7.239
  213    HA   TYR  29           HA       TYR  29  10.447   1.018   4.726
  214    HB2  TYR  29           HB2      TYR  29  10.316  -0.221   6.865
  215    HB3  TYR  29           HB3      TYR  29   9.015   0.844   7.386
  216    HD1  TYR  29           HD1      TYR  29   6.798   0.696   6.350
  217    HD2  TYR  29           HD2      TYR  29   9.927  -1.971   5.254
  218    HE1  TYR  29           HE1      TYR  29   5.151  -0.792   5.290
  219    HE2  TYR  29           HE2      TYR  29   8.289  -3.466   4.190
  220    HH   TYR  29           HH       TYR  29   5.784  -3.935   4.450
  221    H    GLU  30           H        GLU  30   9.340   3.720   6.569
  222    HA   GLU  30           HA       GLU  30   6.747   3.911   5.377
  223    HB2  GLU  30           HB2      GLU  30   7.304   4.901   7.582
  224    HB3  GLU  30           HB3      GLU  30   8.366   6.047   6.775
  225    HG2  GLU  30           HG2      GLU  30   6.212   6.633   5.418
  226    HG3  GLU  30           HG3      GLU  30   5.394   5.914   6.804
  227    H    CYS  31           H        CYS  31   9.753   5.785   4.967
  228    HA   CYS  31           HA       CYS  31   8.832   7.350   2.821
  229    HB2  CYS  31           HB2      CYS  31  11.233   7.816   2.404
  230    HB3  CYS  31           HB3      CYS  31  10.790   8.002   4.098
  231    H    CYS  32           H        CYS  32  10.109   4.123   2.972
  232    HA   CYS  32           HA       CYS  32  10.917   3.800   0.306
  233    HB2  CYS  32           HB2      CYS  32  10.179   1.999   2.544
  234    HB3  CYS  32           HB3      CYS  32  10.107   1.306   0.927
  235    H    THR  33           H        THR  33   7.784   3.950   1.745
  236    HA   THR  33           HA       THR  33   6.581   3.409  -0.886
  237    HB   THR  33           HB       THR  33   4.666   2.328   0.177
  238    HG1  THR  33           HG1      THR  33   6.151   2.471   2.605
  239   HG21  THR  33          HG21      THR  33   5.756   0.409  -0.119
  240   HG22  THR  33          HG22      THR  33   6.520   0.592   1.460
  241   HG23  THR  33          HG23      THR  33   7.294   1.260   0.024
  242    H    SER  34           H        SER  34   7.303   5.855   0.784
  243    HA   SER  34           HA       SER  34   4.685   7.162   0.522
  244    HB2  SER  34           HB2      SER  34   5.095   6.728   2.918
  245    HB3  SER  34           HB3      SER  34   6.622   7.605   2.808
  246    HG   SER  34           HG       SER  34   4.186   8.813   2.058
  247    H    ASP  35           H        ASP  35   5.058   8.360  -1.253
  248    HA   ASP  35           HA       ASP  35   7.539   9.543  -1.916
  249    HB2  ASP  35           HB2      ASP  35   4.732   9.818  -2.920
  250    HB3  ASP  35           HB3      ASP  35   5.949  10.979  -3.442
  251    H    SER  36           H        SER  36   4.806  10.622  -0.038
  252    HA   SER  36           HA       SER  36   5.450  13.388  -0.023
  253    HB2  SER  36           HB2      SER  36   3.877  13.523   1.877
  254    HB3  SER  36           HB3      SER  36   3.202  12.595   0.537
  255    HG   SER  36           HG       SER  36   3.732  11.815   3.080
  256    H    THR  37           H        THR  37   6.233  10.687   2.114
  257    HA   THR  37           HA       THR  37   7.494  12.202   4.135
  258    HB   THR  37           HB       THR  37   7.971   9.319   3.353
  259    HG1  THR  37           HG1      THR  37   6.379  10.309   5.488
  260   HG21  THR  37          HG21      THR  37   8.996  11.025   5.551
  261   HG22  THR  37          HG22      THR  37   9.743   9.645   4.745
  262   HG23  THR  37          HG23      THR  37   8.503   9.385   5.971
  263    H    PHE  38           H        PHE  38   8.549  11.093   1.025
  264    HA   PHE  38           HA       PHE  38  11.348  11.258   1.493
  265    HB2  PHE  38           HB2      PHE  38   9.992  10.118  -0.452
  266    HB3  PHE  38           HB3      PHE  38  10.167  11.691  -1.224
  267    HD1  PHE  38           HD1      PHE  38  12.024   8.823   0.170
  268    HD2  PHE  38           HD2      PHE  38  12.211  12.360  -2.191
  269    HE1  PHE  38           HE1      PHE  38  14.278   8.193  -0.589
  270    HE2  PHE  38           HE2      PHE  38  14.465  11.736  -2.954
  271    HZ   PHE  38           HZ       PHE  38  15.502   9.651  -2.152
  272    H    LYS  39           H        LYS  39   8.890  13.552   0.544
  273    HA   LYS  39           HA       LYS  39  10.399  15.597  -0.537
  274    HB2  LYS  39           HB2      LYS  39   7.769  15.283   0.482
  275    HB3  LYS  39           HB3      LYS  39   8.437  16.739   1.209
  276    HG2  LYS  39           HG2      LYS  39   9.159  17.210  -1.295
  277    HG3  LYS  39           HG3      LYS  39   7.783  16.154  -1.622
  278    HD2  LYS  39           HD2      LYS  39   6.306  17.596  -0.406
  279    HD3  LYS  39           HD3      LYS  39   7.657  18.574   0.173
  280    HE2  LYS  39           HE2      LYS  39   8.126  18.951  -2.353
  281    HE3  LYS  39           HE3      LYS  39   6.456  18.429  -2.565
  282    HZ1  LYS  39           HZ1      LYS  39   5.809  20.187  -0.971
  283    HZ2  LYS  39           HZ2      LYS  39   6.504  20.794  -2.389
  284    HZ3  LYS  39           HZ3      LYS  39   7.409  20.737  -0.961
  285    H    LYS  40           H        LYS  40   9.583  15.116   2.899
  286    HA   LYS  40           HA       LYS  40  11.133  17.281   3.843
  287    HB2  LYS  40           HB2      LYS  40   9.861  14.883   5.094
  288    HB3  LYS  40           HB3      LYS  40  11.015  15.818   6.035
  289    HG2  LYS  40           HG2      LYS  40   9.089  16.863   6.638
  290    HG3  LYS  40           HG3      LYS  40   9.518  17.833   5.226
  291    HD2  LYS  40           HD2      LYS  40   8.007  16.548   3.840
  292    HD3  LYS  40           HD3      LYS  40   7.642  15.469   5.188
  293    HE2  LYS  40           HE2      LYS  40   6.357  17.037   6.271
  294    HE3  LYS  40           HE3      LYS  40   7.195  18.396   5.524
  295    HZ1  LYS  40           HZ1      LYS  40   5.622  18.493   3.992
  296    HZ2  LYS  40           HZ2      LYS  40   4.795  17.219   4.736
  297    HZ3  LYS  40           HZ3      LYS  40   5.925  16.897   3.519
  298    H    CYS  41           H        CYS  41  11.798  13.801   3.614
  299    HA   CYS  41           HA       CYS  41  14.307  13.778   4.816
  300    HB2  CYS  41           HB2      CYS  41  13.193  11.707   4.326
  301    HB3  CYS  41           HB3      CYS  41  13.179  12.060   2.601
  302    H    GLN  42           H        GLN  42  13.355  14.667   1.561
  303    HA   GLN  42           HA       GLN  42  15.892  14.674   0.361
  304    HB2  GLN  42           HB2      GLN  42  13.285  16.011  -0.215
  305    HB3  GLN  42           HB3      GLN  42  14.717  16.550  -1.082
  306    HG2  GLN  42           HG2      GLN  42  15.081  14.320  -1.940
  307    HG3  GLN  42           HG3      GLN  42  13.716  13.713  -1.003
  308   HE21  GLN  42          HE21      GLN  42  14.560  14.342  -3.999
  309   HE22  GLN  42          HE22      GLN  42  13.066  14.896  -4.667
  310    H    ASP  43           H        ASP  43  14.196  17.090   2.275
  311    HA   ASP  43           HA       ASP  43  16.042  19.201   1.801
  312    HB2  ASP  43           HB2      ASP  43  13.827  19.755   2.547
  313    HB3  ASP  43           HB3      ASP  43  14.002  18.752   3.984
  314    H    LEU  44           H        LEU  44  15.804  16.645   4.198
  315    HA   LEU  44           HA       LEU  44  17.757  17.630   5.983
  316    HB2  LEU  44           HB2      LEU  44  17.101  14.735   5.488
  317    HB3  LEU  44           HB3      LEU  44  17.754  15.454   6.958
  318    HG   LEU  44           HG       LEU  44  14.966  15.840   5.872
  319   HD11  LEU  44          HD11      LEU  44  14.601  14.757   8.267
  320   HD12  LEU  44          HD12      LEU  44  16.172  14.046   7.899
  321   HD13  LEU  44          HD13      LEU  44  14.808  13.779   6.813
  322   HD21  LEU  44          HD21      LEU  44  16.504  17.169   8.039
  323   HD22  LEU  44          HD22      LEU  44  14.801  16.811   8.327
  324   HD23  LEU  44          HD23      LEU  44  15.271  17.821   6.960
  325    H    LEU  45           H        LEU  45  17.977  15.188   3.398
  326    HA   LEU  45           HA       LEU  45  20.740  14.733   3.643
  327    HB2  LEU  45           HB2      LEU  45  19.017  14.472   1.183
  328    HB3  LEU  45           HB3      LEU  45  20.596  13.728   1.430
  329    HG   LEU  45           HG       LEU  45  18.038  13.069   2.888
  330   HD11  LEU  45          HD11      LEU  45  17.920  12.038   0.806
  331   HD12  LEU  45          HD12      LEU  45  18.613  10.792   1.845
  332   HD13  LEU  45          HD13      LEU  45  19.653  11.714   0.759
  333   HD21  LEU  45          HD21      LEU  45  19.632  11.150   3.703
  334   HD22  LEU  45          HD22      LEU  45  19.578  12.698   4.546
  335   HD23  LEU  45          HD23      LEU  45  20.884  12.357   3.411
  336    H    HIS  46           H        HIS  46  18.930  17.254   2.097
  337    HA   HIS  46           HA       HIS  46  21.432  18.355   0.995
  338    HB2  HIS  46           HB2      HIS  46  19.385  17.718  -0.540
  339    HB3  HIS  46           HB3      HIS  46  18.753  19.263   0.022
  340    HD1  HIS  46           HD1      HIS  46  22.078  18.054  -1.406
  341    HD2  HIS  46           HD2      HIS  46  19.425  21.240  -1.677
  342    HE1  HIS  46           HE1      HIS  46  23.066  19.608  -3.119
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1   0.578  -2.168  -1.416
    2    HA   ALA   1           HA       ALA   1   2.185   0.018  -0.264
    3    HB1  ALA   1           HB1      ALA   1   2.584  -1.770   1.577
    4    HB2  ALA   1           HB2      ALA   1   1.059  -0.884   1.542
    5    HB3  ALA   1           HB3      ALA   1   1.139  -2.527   0.906
    6    H    ASP   2           H        ASP   2   2.937  -1.025  -2.722
    7    HA   ASP   2           HA       ASP   2   4.911  -3.086  -2.375
    8    HB2  ASP   2           HB2      ASP   2   4.183  -1.282  -4.681
    9    HB3  ASP   2           HB3      ASP   2   5.526  -2.419  -4.761
   10    H    ASN   3           H        ASN   3   7.101  -2.887  -2.223
   11    HA   ASN   3           HA       ASN   3   8.098  -0.299  -1.378
   12    HB2  ASN   3           HB2      ASN   3   9.025  -3.115  -1.191
   13    HB3  ASN   3           HB3      ASN   3  10.271  -1.870  -1.214
   14   HD21  ASN   3          HD21      ASN   3  10.942  -1.583   0.783
   15   HD22  ASN   3          HD22      ASN   3   9.936  -1.393   2.175
   16    H    LYS   4           H        LYS   4   8.826   1.098  -2.829
   17    HA   LYS   4           HA       LYS   4   9.663   0.274  -5.454
   18    HB2  LYS   4           HB2      LYS   4   9.443   2.924  -4.051
   19    HB3  LYS   4           HB3      LYS   4  10.225   2.794  -5.621
   20    HG2  LYS   4           HG2      LYS   4   8.283   2.567  -6.709
   21    HG3  LYS   4           HG3      LYS   4   7.598   1.508  -5.473
   22    HD2  LYS   4           HD2      LYS   4   6.809   3.278  -4.210
   23    HD3  LYS   4           HD3      LYS   4   7.967   4.419  -4.898
   24    HE2  LYS   4           HE2      LYS   4   6.754   4.592  -6.909
   25    HE3  LYS   4           HE3      LYS   4   5.786   3.165  -6.542
   26    HZ1  LYS   4           HZ1      LYS   4   5.655   5.508  -4.768
   27    HZ2  LYS   4           HZ2      LYS   4   4.489   4.317  -5.055
   28    HZ3  LYS   4           HZ3      LYS   4   4.783   5.511  -6.218
   29    H    CYS   5           H        CYS   5  11.218   1.347  -2.495
   30    HA   CYS   5           HA       CYS   5  13.788   1.822  -3.524
   31    HB2  CYS   5           HB2      CYS   5  14.554   1.480  -1.179
   32    HB3  CYS   5           HB3      CYS   5  13.189   2.585  -1.309
   33    H    GLU   6           H        GLU   6  12.101  -1.112  -2.776
   34    HA   GLU   6           HA       GLU   6  14.188  -2.896  -2.386
   35    HB2  GLU   6           HB2      GLU   6  11.806  -3.474  -2.124
   36    HB3  GLU   6           HB3      GLU   6  11.601  -3.397  -3.868
   37    HG2  GLU   6           HG2      GLU   6  13.315  -5.215  -4.054
   38    HG3  GLU   6           HG3      GLU   6  13.238  -5.369  -2.300
   39    H    ASN   7           H        ASN   7  13.045  -1.395  -5.319
   40    HA   ASN   7           HA       ASN   7  14.906  -3.019  -6.909
   41    HB2  ASN   7           HB2      ASN   7  13.687  -2.013  -8.873
   42    HB3  ASN   7           HB3      ASN   7  12.700  -3.041  -7.838
   43   HD21  ASN   7          HD21      ASN   7  13.400   0.234  -8.799
   44   HD22  ASN   7          HD22      ASN   7  11.944   0.935  -8.186
   45    H    SER   8           H        SER   8  14.247   0.205  -5.791
   46    HA   SER   8           HA       SER   8  16.326   1.341  -7.500
   47    HB2  SER   8           HB2      SER   8  14.316   2.582  -5.617
   48    HB3  SER   8           HB3      SER   8  15.597   3.511  -6.395
   49    HG   SER   8           HG       SER   8  13.253   2.565  -7.428
   50    H    LEU   9           H        LEU   9  18.339   1.072  -6.792
   51    HA   LEU   9           HA       LEU   9  19.054   0.571  -4.110
   52    HB2  LEU   9           HB2      LEU   9  21.292   0.615  -4.836
   53    HB3  LEU   9           HB3      LEU   9  20.354  -0.041  -6.176
   54    HG   LEU   9           HG       LEU   9  20.411   2.519  -6.932
   55   HD11  LEU   9          HD11      LEU   9  23.009   2.999  -6.438
   56   HD12  LEU   9          HD12      LEU   9  22.547   2.224  -4.924
   57   HD13  LEU   9          HD13      LEU   9  21.691   3.664  -5.474
   58   HD21  LEU   9          HD21      LEU   9  22.705   1.785  -8.048
   59   HD22  LEU   9          HD22      LEU   9  21.161   1.078  -8.524
   60   HD23  LEU   9          HD23      LEU   9  22.219   0.216  -7.406
   61    H    ARG  10           H        ARG  10  18.927   3.511  -6.035
   62    HA   ARG  10           HA       ARG  10  20.301   5.191  -4.230
   63    HB2  ARG  10           HB2      ARG  10  18.541   5.560  -6.585
   64    HB3  ARG  10           HB3      ARG  10  18.662   6.925  -5.483
   65    HG2  ARG  10           HG2      ARG  10  21.149   6.775  -5.703
   66    HG3  ARG  10           HG3      ARG  10  20.897   5.572  -6.970
   67    HD2  ARG  10           HD2      ARG  10  19.341   7.393  -7.999
   68    HD3  ARG  10           HD3      ARG  10  20.257   8.491  -6.968
   69    HE   ARG  10           HE       ARG  10  22.177   7.086  -8.271
   70   HH11  ARG  10          HH11      ARG  10  19.404   8.920  -9.303
   71   HH12  ARG  10          HH12      ARG  10  20.115   9.395 -10.809
   72   HH21  ARG  10          HH21      ARG  10  23.125   7.705 -10.251
   73   HH22  ARG  10          HH22      ARG  10  22.232   8.703 -11.348
   74    H    ARG  11           H        ARG  11  16.858   4.451  -4.643
   75    HA   ARG  11           HA       ARG  11  15.876   6.242  -2.716
   76    HB2  ARG  11           HB2      ARG  11  14.451   5.135  -4.387
   77    HB3  ARG  11           HB3      ARG  11  14.723   3.589  -3.593
   78    HG2  ARG  11           HG2      ARG  11  12.663   4.200  -2.774
   79    HG3  ARG  11           HG3      ARG  11  13.746   4.778  -1.506
   80    HD2  ARG  11           HD2      ARG  11  13.436   6.984  -2.056
   81    HD3  ARG  11           HD3      ARG  11  13.052   6.620  -3.738
   82    HE   ARG  11           HE       ARG  11  11.084   5.677  -1.866
   83   HH11  ARG  11          HH11      ARG  11  12.153   8.375  -3.788
   84   HH12  ARG  11          HH12      ARG  11  10.589   9.118  -3.851
   85   HH21  ARG  11          HH21      ARG  11   9.020   6.645  -1.942
   86   HH22  ARG  11          HH22      ARG  11   8.808   8.133  -2.800
   87    H    GLU  12           H        GLU  12  17.166   2.989  -2.454
   88    HA   GLU  12           HA       GLU  12  16.360   2.568   0.248
   89    HB2  GLU  12           HB2      GLU  12  17.066   0.832  -1.547
   90    HB3  GLU  12           HB3      GLU  12  18.706   1.198  -1.032
   91    HG2  GLU  12           HG2      GLU  12  16.707   0.520   1.053
   92    HG3  GLU  12           HG3      GLU  12  17.317  -0.776   0.026
   93    H    ILE  13           H        ILE  13  19.458   3.456  -1.259
   94    HA   ILE  13           HA       ILE  13  20.919   3.711   1.126
   95    HB   ILE  13           HB       ILE  13  21.348   5.154  -1.493
   96   HG12  ILE  13          HG12      ILE  13  22.815   2.712  -0.520
   97   HG13  ILE  13          HG13      ILE  13  21.312   2.572  -1.425
   98   HG21  ILE  13          HG21      ILE  13  23.714   5.293  -0.689
   99   HG22  ILE  13          HG22      ILE  13  22.569   6.282   0.215
  100   HG23  ILE  13          HG23      ILE  13  23.144   4.758   0.892
  101   HD11  ILE  13          HD11      ILE  13  22.343   3.828  -3.271
  102   HD12  ILE  13          HD12      ILE  13  23.858   3.866  -2.367
  103   HD13  ILE  13          HD13      ILE  13  23.189   2.325  -2.905
  104    H    ALA  14           H        ALA  14  18.858   5.960  -0.613
  105    HA   ALA  14           HA       ALA  14  19.600   8.279   0.855
  106    HB1  ALA  14           HB1      ALA  14  18.606   8.661  -1.239
  107    HB2  ALA  14           HB2      ALA  14  17.236   7.612  -0.875
  108    HB3  ALA  14           HB3      ALA  14  17.397   9.166  -0.058
  109    H    CYS  15           H        CYS  15  16.982   5.914   1.178
  110    HA   CYS  15           HA       CYS  15  15.695   7.226   3.344
  111    HB2  CYS  15           HB2      CYS  15  15.485   4.586   2.002
  112    HB3  CYS  15           HB3      CYS  15  14.866   4.688   3.647
  113    H    GLY  16           H        GLY  16  18.137   4.684   3.124
  114    HA2  GLY  16           HA2      GLY  16  18.214   3.822   5.753
  115    HA3  GLY  16           HA3      GLY  16  19.613   3.880   4.690
  116    H    GLN  17           H        GLN  17  19.888   6.610   4.326
  117    HA   GLN  17           HA       GLN  17  21.281   7.342   6.667
  118    HB2  GLN  17           HB2      GLN  17  20.479   8.903   4.215
  119    HB3  GLN  17           HB3      GLN  17  21.437   9.602   5.514
  120    HG2  GLN  17           HG2      GLN  17  23.000   7.581   5.126
  121    HG3  GLN  17           HG3      GLN  17  22.170   7.452   3.576
  122   HE21  GLN  17          HE21      GLN  17  23.621   8.143   2.149
  123   HE22  GLN  17          HE22      GLN  17  24.433   9.666   2.206
  124    H    CYS  18           H        CYS  18  18.331   8.722   5.215
  125    HA   CYS  18           HA       CYS  18  17.759  10.553   7.234
  126    HB2  CYS  18           HB2      CYS  18  16.059   9.125   5.212
  127    HB3  CYS  18           HB3      CYS  18  15.318  10.182   6.410
  128    H    ARG  19           H        ARG  19  17.150   7.117   7.042
  129    HA   ARG  19           HA       ARG  19  15.243   6.863   9.073
  130    HB2  ARG  19           HB2      ARG  19  15.737   5.016   7.595
  131    HB3  ARG  19           HB3      ARG  19  17.399   4.950   8.168
  132    HG2  ARG  19           HG2      ARG  19  16.515   4.375  10.430
  133    HG3  ARG  19           HG3      ARG  19  14.910   4.256   9.706
  134    HD2  ARG  19           HD2      ARG  19  16.364   2.703   8.021
  135    HD3  ARG  19           HD3      ARG  19  17.202   2.424   9.547
  136    HE   ARG  19           HE       ARG  19  14.336   2.181   9.707
  137   HH11  ARG  19          HH11      ARG  19  17.338   0.540   9.063
  138   HH12  ARG  19          HH12      ARG  19  16.709  -1.032   9.431
  139   HH21  ARG  19          HH21      ARG  19  13.496   0.117  10.194
  140   HH22  ARG  19          HH22      ARG  19  14.523  -1.272  10.073
  141    H    ASP  20           H        ASP  20  18.752   7.085   9.201
  142    HA   ASP  20           HA       ASP  20  18.851   6.583  12.043
  143    HB2  ASP  20           HB2      ASP  20  20.895   7.305   9.959
  144    HB3  ASP  20           HB3      ASP  20  21.297   7.353  11.673
  145    H    LYS  21           H        LYS  21  19.448   9.378   9.923
  146    HA   LYS  21           HA       LYS  21  19.973  11.249  11.931
  147    HB2  LYS  21           HB2      LYS  21  18.778  11.606   9.179
  148    HB3  LYS  21           HB3      LYS  21  19.264  12.945  10.211
  149    HG2  LYS  21           HG2      LYS  21  21.139  10.766   9.328
  150    HG3  LYS  21           HG3      LYS  21  20.923  12.288   8.460
  151    HD2  LYS  21           HD2      LYS  21  21.756  13.550  10.286
  152    HD3  LYS  21           HD3      LYS  21  21.673  12.162  11.374
  153    HE2  LYS  21           HE2      LYS  21  23.517  11.127  10.379
  154    HE3  LYS  21           HE3      LYS  21  23.402  12.115   8.924
  155    HZ1  LYS  21           HZ1      LYS  21  25.164  13.065  10.023
  156    HZ2  LYS  21           HZ2      LYS  21  24.501  12.818  11.560
  157    HZ3  LYS  21           HZ3      LYS  21  23.890  14.039  10.562
  158    H    VAL  22           H        VAL  22  16.921  10.849  10.120
  159    HA   VAL  22           HA       VAL  22  15.348  12.558  11.611
  160    HB   VAL  22           HB       VAL  22  14.483   9.967  10.318
  161   HG11  VAL  22          HG11      VAL  22  12.370  11.688  10.157
  162   HG12  VAL  22          HG12      VAL  22  12.547  10.409  11.359
  163   HG13  VAL  22          HG13      VAL  22  13.025  12.061  11.750
  164   HG21  VAL  22          HG21      VAL  22  14.232  12.721   9.152
  165   HG22  VAL  22          HG22      VAL  22  15.680  11.744   8.910
  166   HG23  VAL  22          HG23      VAL  22  14.118  11.160   8.338
  167    H    LYS  23           H        LYS  23  16.423   9.332  12.371
  168    HA   LYS  23           HA       LYS  23  16.215   8.025  14.221
  169    HB2  LYS  23           HB2      LYS  23  15.721  10.754  15.396
  170    HB3  LYS  23           HB3      LYS  23  15.736   9.304  16.392
  171    HG2  LYS  23           HG2      LYS  23  18.057   8.933  15.182
  172    HG3  LYS  23           HG3      LYS  23  17.969  10.688  15.015
  173    HD2  LYS  23           HD2      LYS  23  17.565   9.268  17.639
  174    HD3  LYS  23           HD3      LYS  23  19.145   9.825  17.082
  175    HE2  LYS  23           HE2      LYS  23  18.504  11.641  18.310
  176    HE3  LYS  23           HE3      LYS  23  17.835  12.091  16.742
  177    HZ1  LYS  23           HZ1      LYS  23  15.716  11.732  17.436
  178    HZ2  LYS  23           HZ2      LYS  23  16.397  12.175  18.920
  179    HZ3  LYS  23           HZ3      LYS  23  16.145  10.541  18.559
  180    H    THR  24           H        THR  24  14.116   7.674  12.687
  181    HA   THR  24           HA       THR  24  11.876   7.515  14.581
  182    HB   THR  24           HB       THR  24  11.635   8.359  11.686
  183    HG1  THR  24           HG1      THR  24  10.564  10.193  12.955
  184   HG21  THR  24          HG21      THR  24   9.186   8.719  12.529
  185   HG22  THR  24          HG22      THR  24   9.624   7.498  13.725
  186   HG23  THR  24          HG23      THR  24   9.710   7.119  12.005
  187    H    ASP  25           H        ASP  25  11.430   5.441  14.878
  188    HA   ASP  25           HA       ASP  25  12.345   3.360  13.218
  189    HB2  ASP  25           HB2      ASP  25  10.081   3.223  15.218
  190    HB3  ASP  25           HB3      ASP  25  11.057   1.879  14.631
  191    H    GLY  26           H        GLY  26  11.491   2.371  11.487
  192    HA2  GLY  26           HA2      GLY  26   9.787   1.594  10.070
  193    HA3  GLY  26           HA3      GLY  26   8.647   2.641  10.902
  194    H    TYR  27           H        TYR  27  10.868   4.793  10.523
  195    HA   TYR  27           HA       TYR  27   9.685   6.206   8.468
  196    HB2  TYR  27           HB2      TYR  27  11.319   7.082  10.183
  197    HB3  TYR  27           HB3      TYR  27  12.611   6.405   9.197
  198    HD1  TYR  27           HD1      TYR  27   9.864   8.890   9.213
  199    HD2  TYR  27           HD2      TYR  27  13.415   7.549   7.291
  200    HE1  TYR  27           HE1      TYR  27   9.902  10.946   7.864
  201    HE2  TYR  27           HE2      TYR  27  13.464   9.602   5.937
  202    HH   TYR  27           HH       TYR  27  12.023  12.278   6.600
  203    H    PHE  28           H        PHE  28  12.485   4.038   8.324
  204    HA   PHE  28           HA       PHE  28  13.201   4.445   5.665
  205    HB2  PHE  28           HB2      PHE  28  14.656   3.196   7.104
  206    HB3  PHE  28           HB3      PHE  28  13.414   1.986   7.405
  207    HD1  PHE  28           HD1      PHE  28  12.892   0.297   5.747
  208    HD2  PHE  28           HD2      PHE  28  15.924   3.203   5.054
  209    HE1  PHE  28           HE1      PHE  28  13.750  -1.049   3.876
  210    HE2  PHE  28           HE2      PHE  28  16.786   1.861   3.181
  211    HZ   PHE  28           HZ       PHE  28  15.700  -0.269   2.590
  212    H    TYR  29           H        TYR  29  10.868   2.168   7.057
  213    HA   TYR  29           HA       TYR  29  10.161   1.033   4.526
  214    HB2  TYR  29           HB2      TYR  29   9.885  -0.335   6.473
  215    HB3  TYR  29           HB3      TYR  29   8.887   0.882   7.260
  216    HD1  TYR  29           HD1      TYR  29   8.976  -1.672   4.608
  217    HD2  TYR  29           HD2      TYR  29   6.548   1.071   6.772
  218    HE1  TYR  29           HE1      TYR  29   6.960  -2.746   3.697
  219    HE2  TYR  29           HE2      TYR  29   4.525   0.004   5.868
  220    HH   TYR  29           HH       TYR  29   4.738  -2.835   3.749
  221    H    GLU  30           H        GLU  30   9.145   3.773   6.366
  222    HA   GLU  30           HA       GLU  30   6.586   4.084   5.121
  223    HB2  GLU  30           HB2      GLU  30   7.186   5.019   7.362
  224    HB3  GLU  30           HB3      GLU  30   8.238   6.171   6.551
  225    HG2  GLU  30           HG2      GLU  30   6.390   7.212   5.468
  226    HG3  GLU  30           HG3      GLU  30   5.288   5.949   6.016
  227    H    CYS  31           H        CYS  31   9.676   5.836   4.810
  228    HA   CYS  31           HA       CYS  31   8.881   7.474   2.673
  229    HB2  CYS  31           HB2      CYS  31  11.296   7.847   2.316
  230    HB3  CYS  31           HB3      CYS  31  10.853   7.976   4.015
  231    H    CYS  32           H        CYS  32   9.984   4.182   2.787
  232    HA   CYS  32           HA       CYS  32  10.784   3.893   0.099
  233    HB2  CYS  32           HB2      CYS  32  10.030   2.054   2.312
  234    HB3  CYS  32           HB3      CYS  32   9.993   1.401   0.677
  235    H    THR  33           H        THR  33   7.681   4.060   1.600
  236    HA   THR  33           HA       THR  33   6.420   3.520  -1.006
  237    HB   THR  33           HB       THR  33   4.523   2.483   0.070
  238    HG1  THR  33           HG1      THR  33   5.874   2.644   2.560
  239   HG21  THR  33          HG21      THR  33   6.654   1.155  -0.418
  240   HG22  THR  33          HG22      THR  33   5.486   0.425   0.684
  241   HG23  THR  33          HG23      THR  33   6.936   1.198   1.322
  242    H    SER  34           H        SER  34   7.248   5.988   0.579
  243    HA   SER  34           HA       SER  34   4.668   7.370   0.322
  244    HB2  SER  34           HB2      SER  34   5.280   6.910   2.746
  245    HB3  SER  34           HB3      SER  34   6.644   8.005   2.517
  246    HG   SER  34           HG       SER  34   3.892   8.631   2.209
  247    H    ASP  35           H        ASP  35   5.011   8.561  -1.453
  248    HA   ASP  35           HA       ASP  35   7.516   9.610  -2.238
  249    HB2  ASP  35           HB2      ASP  35   4.682  10.114  -3.104
  250    HB3  ASP  35           HB3      ASP  35   6.007  11.074  -3.756
  251    H    SER  36           H        SER  36   4.856  10.904  -0.355
  252    HA   SER  36           HA       SER  36   5.706  13.607  -0.362
  253    HB2  SER  36           HB2      SER  36   4.034  12.167   1.711
  254    HB3  SER  36           HB3      SER  36   4.135  13.913   1.483
  255    HG   SER  36           HG       SER  36   2.327  12.592   0.454
  256    H    THR  37           H        THR  37   6.075  11.014   2.048
  257    HA   THR  37           HA       THR  37   7.523  12.423   3.950
  258    HB   THR  37           HB       THR  37   7.926   9.507   3.261
  259    HG1  THR  37           HG1      THR  37   6.038  10.701   5.036
  260   HG21  THR  37          HG21      THR  37   9.485   9.748   4.876
  261   HG22  THR  37          HG22      THR  37   8.096   9.721   5.962
  262   HG23  THR  37          HG23      THR  37   8.792  11.261   5.460
  263    H    PHE  38           H        PHE  38   8.522  11.180   0.873
  264    HA   PHE  38           HA       PHE  38  11.319  11.140   1.353
  265    HB2  PHE  38           HB2      PHE  38  10.014  10.022  -0.559
  266    HB3  PHE  38           HB3      PHE  38  10.054  11.599  -1.341
  267    HD1  PHE  38           HD1      PHE  38  12.389   9.219   0.335
  268    HD2  PHE  38           HD2      PHE  38  11.754  12.003  -2.822
  269    HE1  PHE  38           HE1      PHE  38  14.626   8.713  -0.557
  270    HE2  PHE  38           HE2      PHE  38  13.989  11.500  -3.719
  271    HZ   PHE  38           HZ       PHE  38  15.428   9.854  -2.587
  272    H    LYS  39           H        LYS  39   9.056  13.618   0.382
  273    HA   LYS  39           HA       LYS  39  10.741  15.532  -0.687
  274    HB2  LYS  39           HB2      LYS  39   8.281  15.852   1.033
  275    HB3  LYS  39           HB3      LYS  39   9.081  17.200   0.236
  276    HG2  LYS  39           HG2      LYS  39   8.658  16.193  -1.935
  277    HG3  LYS  39           HG3      LYS  39   7.896  14.805  -1.154
  278    HD2  LYS  39           HD2      LYS  39   6.101  16.158  -1.805
  279    HD3  LYS  39           HD3      LYS  39   6.311  16.514  -0.089
  280    HE2  LYS  39           HE2      LYS  39   7.866  18.418  -0.978
  281    HE3  LYS  39           HE3      LYS  39   6.960  18.192  -2.474
  282    HZ1  LYS  39           HZ1      LYS  39   5.013  18.302  -0.609
  283    HZ2  LYS  39           HZ2      LYS  39   5.519  19.607  -1.558
  284    HZ3  LYS  39           HZ3      LYS  39   6.139  19.406   0.003
  285    H    LYS  40           H        LYS  40   9.790  15.182   2.732
  286    HA   LYS  40           HA       LYS  40  11.451  17.218   3.721
  287    HB2  LYS  40           HB2      LYS  40  10.280  14.764   5.028
  288    HB3  LYS  40           HB3      LYS  40  11.203  15.967   5.920
  289    HG2  LYS  40           HG2      LYS  40   9.060  16.678   6.294
  290    HG3  LYS  40           HG3      LYS  40   9.491  17.636   4.876
  291    HD2  LYS  40           HD2      LYS  40   8.224  16.292   3.440
  292    HD3  LYS  40           HD3      LYS  40   8.145  14.968   4.604
  293    HE2  LYS  40           HE2      LYS  40   6.002  16.035   4.531
  294    HE3  LYS  40           HE3      LYS  40   6.763  16.425   6.073
  295    HZ1  LYS  40           HZ1      LYS  40   5.787  18.190   4.150
  296    HZ2  LYS  40           HZ2      LYS  40   7.467  18.383   4.186
  297    HZ3  LYS  40           HZ3      LYS  40   6.564  18.565   5.605
  298    H    CYS  41           H        CYS  41  11.964  13.699   3.568
  299    HA   CYS  41           HA       CYS  41  14.479  13.598   4.736
  300    HB2  CYS  41           HB2      CYS  41  13.281  11.565   4.296
  301    HB3  CYS  41           HB3      CYS  41  13.264  11.885   2.565
  302    H    GLN  42           H        GLN  42  13.558  14.378   1.433
  303    HA   GLN  42           HA       GLN  42  16.148  14.323   0.311
  304    HB2  GLN  42           HB2      GLN  42  13.539  15.564  -0.472
  305    HB3  GLN  42           HB3      GLN  42  15.000  16.002  -1.348
  306    HG2  GLN  42           HG2      GLN  42  15.379  13.575  -1.777
  307    HG3  GLN  42           HG3      GLN  42  13.796  13.262  -1.066
  308   HE21  GLN  42          HE21      GLN  42  11.989  14.560  -2.052
  309   HE22  GLN  42          HE22      GLN  42  11.996  14.724  -3.772
  310    H    ASP  43           H        ASP  43  14.352  16.777   2.050
  311    HA   ASP  43           HA       ASP  43  16.097  18.941   1.432
  312    HB2  ASP  43           HB2      ASP  43  13.654  18.963   2.362
  313    HB3  ASP  43           HB3      ASP  43  14.444  18.847   3.933
  314    H    LEU  44           H        LEU  44  15.880  16.636   4.100
  315    HA   LEU  44           HA       LEU  44  17.801  17.787   5.780
  316    HB2  LEU  44           HB2      LEU  44  17.236  14.846   5.458
  317    HB3  LEU  44           HB3      LEU  44  17.925  15.647   6.868
  318    HG   LEU  44           HG       LEU  44  15.090  15.864   5.864
  319   HD11  LEU  44          HD11      LEU  44  14.999  15.075   8.461
  320   HD12  LEU  44          HD12      LEU  44  16.456  14.256   7.897
  321   HD13  LEU  44          HD13      LEU  44  14.919  13.987   7.075
  322   HD21  LEU  44          HD21      LEU  44  15.832  18.019   6.705
  323   HD22  LEU  44          HD22      LEU  44  16.432  17.258   8.178
  324   HD23  LEU  44          HD23      LEU  44  14.702  17.273   7.835
  325    H    LEU  45           H        LEU  45  18.166  15.191   3.368
  326    HA   LEU  45           HA       LEU  45  20.937  14.867   3.661
  327    HB2  LEU  45           HB2      LEU  45  19.295  14.430   1.172
  328    HB3  LEU  45           HB3      LEU  45  20.871  13.726   1.527
  329    HG   LEU  45           HG       LEU  45  18.369  13.151   3.108
  330   HD11  LEU  45          HD11      LEU  45  17.813  12.133   1.144
  331   HD12  LEU  45          HD12      LEU  45  18.790  10.859   1.873
  332   HD13  LEU  45          HD13      LEU  45  19.492  11.917   0.649
  333   HD21  LEU  45          HD21      LEU  45  19.592  11.658   4.325
  334   HD22  LEU  45          HD22      LEU  45  20.839  12.862   3.998
  335   HD23  LEU  45          HD23      LEU  45  20.761  11.389   3.031
  336    H    HIS  46           H        HIS  46  19.063  17.250   1.986
  337    HA   HIS  46           HA       HIS  46  21.463  18.281   0.644
  338    HB2  HIS  46           HB2      HIS  46  18.518  18.723   0.200
  339    HB3  HIS  46           HB3      HIS  46  19.724  19.803  -0.493
  340    HD1  HIS  46           HD1      HIS  46  18.312  18.658  -2.658
  341    HD2  HIS  46           HD2      HIS  46  21.235  16.414  -0.739
  342    HE1  HIS  46           HE1      HIS  46  18.959  16.858  -4.292
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1   0.108  -1.408  -1.927
    2    HA   ALA   1           HA       ALA   1   2.048   0.565  -0.913
    3    HB1  ALA   1           HB1      ALA   1   1.303  -2.075   0.338
    4    HB2  ALA   1           HB2      ALA   1   2.369  -0.845   1.016
    5    HB3  ALA   1           HB3      ALA   1   0.649  -0.510   0.821
    6    H    ASP   2           H        ASP   2   3.372   0.351  -2.779
    7    HA   ASP   2           HA       ASP   2   4.733  -2.247  -3.032
    8    HB2  ASP   2           HB2      ASP   2   4.232  -0.030  -5.004
    9    HB3  ASP   2           HB3      ASP   2   5.509  -1.214  -5.271
   10    H    ASN   3           H        ASN   3   6.856  -2.402  -2.613
   11    HA   ASN   3           HA       ASN   3   8.195  -0.157  -1.420
   12    HB2  ASN   3           HB2      ASN   3   8.749  -3.059  -1.760
   13    HB3  ASN   3           HB3      ASN   3  10.138  -2.001  -1.529
   14   HD21  ASN   3          HD21      ASN   3   9.356  -4.000   0.267
   15   HD22  ASN   3          HD22      ASN   3   8.877  -3.245   1.745
   16    H    LYS   4           H        LYS   4   9.101   1.376  -2.613
   17    HA   LYS   4           HA       LYS   4   9.937   0.901  -5.327
   18    HB2  LYS   4           HB2      LYS   4   9.915   3.304  -3.521
   19    HB3  LYS   4           HB3      LYS   4  10.745   3.347  -5.071
   20    HG2  LYS   4           HG2      LYS   4   8.833   3.452  -6.241
   21    HG3  LYS   4           HG3      LYS   4   7.989   2.335  -5.164
   22    HD2  LYS   4           HD2      LYS   4   7.301   4.005  -3.750
   23    HD3  LYS   4           HD3      LYS   4   8.666   5.051  -4.147
   24    HE2  LYS   4           HE2      LYS   4   6.616   4.423  -6.229
   25    HE3  LYS   4           HE3      LYS   4   6.271   5.639  -5.000
   26    HZ1  LYS   4           HZ1      LYS   4   8.457   5.654  -6.999
   27    HZ2  LYS   4           HZ2      LYS   4   8.425   6.702  -5.672
   28    HZ3  LYS   4           HZ3      LYS   4   7.195   6.768  -6.832
   29    H    CYS   5           H        CYS   5  11.429   1.024  -2.203
   30    HA   CYS   5           HA       CYS   5  14.095   1.501  -3.073
   31    HB2  CYS   5           HB2      CYS   5  13.148   0.129  -0.548
   32    HB3  CYS   5           HB3      CYS   5  14.748   0.811  -0.826
   33    H    GLU   6           H        GLU   6  12.073  -1.307  -2.912
   34    HA   GLU   6           HA       GLU   6  14.060  -3.303  -2.876
   35    HB2  GLU   6           HB2      GLU   6  11.802  -3.917  -2.391
   36    HB3  GLU   6           HB3      GLU   6  11.235  -3.292  -3.933
   37    HG2  GLU   6           HG2      GLU   6  11.282  -5.693  -3.995
   38    HG3  GLU   6           HG3      GLU   6  12.503  -5.049  -5.090
   39    H    ASN   7           H        ASN   7  12.756  -1.320  -5.430
   40    HA   ASN   7           HA       ASN   7  14.297  -2.829  -7.425
   41    HB2  ASN   7           HB2      ASN   7  12.085  -0.793  -7.765
   42    HB3  ASN   7           HB3      ASN   7  12.964  -1.538  -9.097
   43   HD21  ASN   7          HD21      ASN   7  10.397  -1.869  -9.249
   44   HD22  ASN   7          HD22      ASN   7   9.897  -3.451  -8.766
   45    H    SER   8           H        SER   8  14.011   0.253  -5.837
   46    HA   SER   8           HA       SER   8  16.138   1.363  -7.535
   47    HB2  SER   8           HB2      SER   8  13.846   2.562  -6.982
   48    HB3  SER   8           HB3      SER   8  14.693   3.014  -5.503
   49    HG   SER   8           HG       SER   8  16.380   3.835  -6.906
   50    H    LEU   9           H        LEU   9  18.111   1.028  -6.762
   51    HA   LEU   9           HA       LEU   9  18.676   0.401  -4.059
   52    HB2  LEU   9           HB2      LEU   9  20.945   0.325  -4.694
   53    HB3  LEU   9           HB3      LEU   9  20.021  -0.266  -6.074
   54    HG   LEU   9           HG       LEU   9  20.258   2.307  -6.784
   55   HD11  LEU   9          HD11      LEU   9  22.923   2.473  -6.183
   56   HD12  LEU   9          HD12      LEU   9  22.227   1.881  -4.675
   57   HD13  LEU   9          HD13      LEU   9  21.634   3.380  -5.391
   58   HD21  LEU   9          HD21      LEU   9  22.442   1.489  -7.946
   59   HD22  LEU   9          HD22      LEU   9  20.898   0.735  -8.343
   60   HD23  LEU   9          HD23      LEU   9  22.013  -0.067  -7.235
   61    H    ARG  10           H        ARG  10  18.822   3.374  -5.934
   62    HA   ARG  10           HA       ARG  10  20.232   4.939  -4.067
   63    HB2  ARG  10           HB2      ARG  10  18.532   5.454  -6.439
   64    HB3  ARG  10           HB3      ARG  10  18.714   6.788  -5.308
   65    HG2  ARG  10           HG2      ARG  10  21.183   6.527  -5.500
   66    HG3  ARG  10           HG3      ARG  10  20.904   5.330  -6.767
   67    HD2  ARG  10           HD2      ARG  10  19.431   7.245  -7.800
   68    HD3  ARG  10           HD3      ARG  10  20.449   8.276  -6.796
   69    HE   ARG  10           HE       ARG  10  22.144   7.949  -8.284
   70   HH11  ARG  10          HH11      ARG  10  19.827   5.378  -8.661
   71   HH12  ARG  10          HH12      ARG  10  20.624   4.685 -10.034
   72   HH21  ARG  10          HH21      ARG  10  23.203   7.045 -10.090
   73   HH22  ARG  10          HH22      ARG  10  22.545   5.633 -10.845
   74    H    ARG  11           H        ARG  11  16.761   4.399  -4.547
   75    HA   ARG  11           HA       ARG  11  15.846   6.204  -2.600
   76    HB2  ARG  11           HB2      ARG  11  14.474   5.056  -4.390
   77    HB3  ARG  11           HB3      ARG  11  14.492   3.621  -3.375
   78    HG2  ARG  11           HG2      ARG  11  12.472   4.604  -2.843
   79    HG3  ARG  11           HG3      ARG  11  13.532   5.177  -1.554
   80    HD2  ARG  11           HD2      ARG  11  12.266   7.044  -2.310
   81    HD3  ARG  11           HD3      ARG  11  13.911   7.248  -2.912
   82    HE   ARG  11           HE       ARG  11  12.499   5.954  -4.906
   83   HH11  ARG  11          HH11      ARG  11  12.352   8.997  -3.222
   84   HH12  ARG  11          HH12      ARG  11  11.663   9.854  -4.561
   85   HH21  ARG  11          HH21      ARG  11  11.592   7.070  -6.676
   86   HH22  ARG  11          HH22      ARG  11  11.230   8.757  -6.525
   87    H    GLU  12           H        GLU  12  16.958   2.883  -2.384
   88    HA   GLU  12           HA       GLU  12  16.083   2.452   0.295
   89    HB2  GLU  12           HB2      GLU  12  16.735   0.718  -1.527
   90    HB3  GLU  12           HB3      GLU  12  18.379   0.986  -0.967
   91    HG2  GLU  12           HG2      GLU  12  17.497   0.449   1.361
   92    HG3  GLU  12           HG3      GLU  12  16.057  -0.155   0.544
   93    H    ILE  13           H        ILE  13  19.238   3.236  -1.146
   94    HA   ILE  13           HA       ILE  13  20.671   3.359   1.271
   95    HB   ILE  13           HB       ILE  13  21.222   4.828  -1.310
   96   HG12  ILE  13          HG12      ILE  13  22.520   2.282  -0.358
   97   HG13  ILE  13          HG13      ILE  13  21.047   2.260  -1.321
   98   HG21  ILE  13          HG21      ILE  13  23.638   4.381  -0.153
   99   HG22  ILE  13          HG22      ILE  13  22.733   5.888  -0.033
  100   HG23  ILE  13          HG23      ILE  13  22.629   4.693   1.259
  101   HD11  ILE  13          HD11      ILE  13  23.168   1.957  -2.601
  102   HD12  ILE  13          HD12      ILE  13  22.143   3.278  -3.162
  103   HD13  ILE  13          HD13      ILE  13  23.577   3.623  -2.195
  104    H    ALA  14           H        ALA  14  18.668   5.689  -0.394
  105    HA   ALA  14           HA       ALA  14  19.528   7.981   1.052
  106    HB1  ALA  14           HB1      ALA  14  18.371   8.920  -0.593
  107    HB2  ALA  14           HB2      ALA  14  17.615   7.380  -1.004
  108    HB3  ALA  14           HB3      ALA  14  16.889   8.420   0.222
  109    H    CYS  15           H        CYS  15  16.684   5.861   1.370
  110    HA   CYS  15           HA       CYS  15  15.567   7.145   3.600
  111    HB2  CYS  15           HB2      CYS  15  15.281   4.457   2.340
  112    HB3  CYS  15           HB3      CYS  15  14.634   4.680   3.962
  113    H    GLY  16           H        GLY  16  18.041   4.667   3.321
  114    HA2  GLY  16           HA2      GLY  16  18.136   3.770   5.958
  115    HA3  GLY  16           HA3      GLY  16  19.509   3.808   4.861
  116    H    GLN  17           H        GLN  17  19.790   6.541   4.478
  117    HA   GLN  17           HA       GLN  17  21.251   7.265   6.784
  118    HB2  GLN  17           HB2      GLN  17  20.415   8.824   4.342
  119    HB3  GLN  17           HB3      GLN  17  21.415   9.514   5.614
  120    HG2  GLN  17           HG2      GLN  17  22.954   7.496   5.204
  121    HG3  GLN  17           HG3      GLN  17  22.067   7.318   3.692
  122   HE21  GLN  17          HE21      GLN  17  22.636   8.532   2.008
  123   HE22  GLN  17          HE22      GLN  17  23.772   9.833   2.056
  124    H    CYS  18           H        CYS  18  18.321   8.731   5.372
  125    HA   CYS  18           HA       CYS  18  17.815  10.545   7.423
  126    HB2  CYS  18           HB2      CYS  18  16.160   9.262   5.299
  127    HB3  CYS  18           HB3      CYS  18  15.327  10.125   6.588
  128    H    ARG  19           H        ARG  19  17.101   7.133   7.179
  129    HA   ARG  19           HA       ARG  19  15.177   6.864   9.169
  130    HB2  ARG  19           HB2      ARG  19  15.782   5.026   7.693
  131    HB3  ARG  19           HB3      ARG  19  17.393   4.961   8.393
  132    HG2  ARG  19           HG2      ARG  19  16.267   4.444  10.599
  133    HG3  ARG  19           HG3      ARG  19  14.784   4.211   9.672
  134    HD2  ARG  19           HD2      ARG  19  15.491   2.080   9.534
  135    HD3  ARG  19           HD3      ARG  19  16.514   2.704   8.241
  136    HE   ARG  19           HE       ARG  19  17.859   3.000  10.683
  137   HH11  ARG  19          HH11      ARG  19  16.789   0.504   8.507
  138   HH12  ARG  19          HH12      ARG  19  18.051  -0.600   8.944
  139   HH21  ARG  19          HH21      ARG  19  19.526   1.557  11.267
  140   HH22  ARG  19          HH22      ARG  19  19.607   0.000  10.515
  141    H    ASP  20           H        ASP  20  18.676   7.133   9.412
  142    HA   ASP  20           HA       ASP  20  18.690   6.646  12.258
  143    HB2  ASP  20           HB2      ASP  20  20.819   7.479  10.289
  144    HB3  ASP  20           HB3      ASP  20  21.126   7.362  12.020
  145    H    LYS  21           H        LYS  21  19.245   9.440  10.132
  146    HA   LYS  21           HA       LYS  21  19.729  11.341  12.116
  147    HB2  LYS  21           HB2      LYS  21  18.338  11.814   9.474
  148    HB3  LYS  21           HB3      LYS  21  19.187  13.012  10.443
  149    HG2  LYS  21           HG2      LYS  21  21.287  11.782  10.081
  150    HG3  LYS  21           HG3      LYS  21  20.418  10.640   9.054
  151    HD2  LYS  21           HD2      LYS  21  19.942  12.319   7.444
  152    HD3  LYS  21           HD3      LYS  21  20.470  13.606   8.531
  153    HE2  LYS  21           HE2      LYS  21  22.749  12.353   8.470
  154    HE3  LYS  21           HE3      LYS  21  22.105  11.622   7.000
  155    HZ1  LYS  21           HZ1      LYS  21  22.980  14.347   7.485
  156    HZ2  LYS  21           HZ2      LYS  21  21.585  14.187   6.542
  157    HZ3  LYS  21           HZ3      LYS  21  23.021  13.433   6.062
  158    H    VAL  22           H        VAL  22  16.664  10.821  10.358
  159    HA   VAL  22           HA       VAL  22  15.065  12.497  11.868
  160    HB   VAL  22           HB       VAL  22  14.190   9.873  10.654
  161   HG11  VAL  22          HG11      VAL  22  12.132  11.612  10.339
  162   HG12  VAL  22          HG12      VAL  22  12.273  10.464  11.672
  163   HG13  VAL  22          HG13      VAL  22  12.786  12.138  11.889
  164   HG21  VAL  22          HG21      VAL  22  15.288  12.161   9.396
  165   HG22  VAL  22          HG22      VAL  22  14.583  10.730   8.643
  166   HG23  VAL  22          HG23      VAL  22  13.565  12.119   9.023
  167    H    LYS  23           H        LYS  23  16.265   9.321  12.622
  168    HA   LYS  23           HA       LYS  23  16.110   8.000  14.468
  169    HB2  LYS  23           HB2      LYS  23  15.636  10.739  15.598
  170    HB3  LYS  23           HB3      LYS  23  15.535   9.324  16.637
  171    HG2  LYS  23           HG2      LYS  23  17.879   8.783  15.582
  172    HG3  LYS  23           HG3      LYS  23  17.895  10.523  15.284
  173    HD2  LYS  23           HD2      LYS  23  17.192  10.682  17.787
  174    HD3  LYS  23           HD3      LYS  23  17.836   9.041  17.883
  175    HE2  LYS  23           HE2      LYS  23  19.680  10.324  18.430
  176    HE3  LYS  23           HE3      LYS  23  19.910  10.062  16.702
  177    HZ1  LYS  23           HZ1      LYS  23  18.463  12.313  16.717
  178    HZ2  LYS  23           HZ2      LYS  23  20.153  12.275  16.667
  179    HZ3  LYS  23           HZ3      LYS  23  19.356  12.510  18.140
  180    H    THR  24           H        THR  24  13.987   7.630  12.941
  181    HA   THR  24           HA       THR  24  11.793   7.357  14.874
  182    HB   THR  24           HB       THR  24  11.462   8.283  12.013
  183    HG1  THR  24           HG1      THR  24  10.932   9.576  14.501
  184   HG21  THR  24          HG21      THR  24   9.663   6.774  12.629
  185   HG22  THR  24          HG22      THR  24   9.061   8.430  12.583
  186   HG23  THR  24          HG23      THR  24   9.402   7.658  14.131
  187    H    ASP  25           H        ASP  25  11.407   5.264  15.113
  188    HA   ASP  25           HA       ASP  25  12.342   3.257  13.378
  189    HB2  ASP  25           HB2      ASP  25  11.184   1.704  14.778
  190    HB3  ASP  25           HB3      ASP  25  11.783   2.989  15.824
  191    H    GLY  26           H        GLY  26  11.517   2.356  11.596
  192    HA2  GLY  26           HA2      GLY  26   9.800   1.559  10.189
  193    HA3  GLY  26           HA3      GLY  26   8.654   2.577  11.049
  194    H    TYR  27           H        TYR  27  10.820   4.775  10.719
  195    HA   TYR  27           HA       TYR  27   9.619   6.196   8.677
  196    HB2  TYR  27           HB2      TYR  27  11.163   7.134  10.403
  197    HB3  TYR  27           HB3      TYR  27  12.515   6.441   9.515
  198    HD1  TYR  27           HD1      TYR  27   9.843   8.979   9.408
  199    HD2  TYR  27           HD2      TYR  27  13.356   7.480   7.535
  200    HE1  TYR  27           HE1      TYR  27   9.957  11.004   8.016
  201    HE2  TYR  27           HE2      TYR  27  13.481   9.501   6.138
  202    HH   TYR  27           HH       TYR  27  10.905  11.806   6.008
  203    H    PHE  28           H        PHE  28  12.524   4.162   8.529
  204    HA   PHE  28           HA       PHE  28  13.256   4.626   5.896
  205    HB2  PHE  28           HB2      PHE  28  14.714   3.375   7.331
  206    HB3  PHE  28           HB3      PHE  28  13.495   2.128   7.578
  207    HD1  PHE  28           HD1      PHE  28  13.015   0.496   5.838
  208    HD2  PHE  28           HD2      PHE  28  16.050   3.438   5.339
  209    HE1  PHE  28           HE1      PHE  28  13.940  -0.784   3.951
  210    HE2  PHE  28           HE2      PHE  28  16.979   2.164   3.450
  211    HZ   PHE  28           HZ       PHE  28  15.924   0.051   2.753
  212    H    TYR  29           H        TYR  29  10.962   2.249   7.185
  213    HA   TYR  29           HA       TYR  29  10.326   1.171   4.611
  214    HB2  TYR  29           HB2      TYR  29  10.091  -0.194   6.621
  215    HB3  TYR  29           HB3      TYR  29   8.894   0.924   7.265
  216    HD1  TYR  29           HD1      TYR  29   9.479  -1.143   4.203
  217    HD2  TYR  29           HD2      TYR  29   6.671   0.359   7.025
  218    HE1  TYR  29           HE1      TYR  29   7.695  -2.433   3.106
  219    HE2  TYR  29           HE2      TYR  29   4.879  -0.928   5.936
  220    HH   TYR  29           HH       TYR  29   5.511  -3.349   3.608
  221    H    GLU  30           H        GLU  30   9.201   3.823   6.518
  222    HA   GLU  30           HA       GLU  30   6.652   4.103   5.256
  223    HB2  GLU  30           HB2      GLU  30   7.231   5.012   7.519
  224    HB3  GLU  30           HB3      GLU  30   8.241   6.211   6.724
  225    HG2  GLU  30           HG2      GLU  30   6.107   6.836   5.431
  226    HG3  GLU  30           HG3      GLU  30   5.264   5.943   6.695
  227    H    CYS  31           H        CYS  31   9.701   5.932   4.991
  228    HA   CYS  31           HA       CYS  31   8.867   7.579   2.868
  229    HB2  CYS  31           HB2      CYS  31  11.290   8.014   2.537
  230    HB3  CYS  31           HB3      CYS  31  10.790   8.171   4.217
  231    H    CYS  32           H        CYS  32  10.094   4.330   2.960
  232    HA   CYS  32           HA       CYS  32  10.932   4.112   0.272
  233    HB2  CYS  32           HB2      CYS  32  10.285   2.227   2.473
  234    HB3  CYS  32           HB3      CYS  32  10.242   1.577   0.837
  235    H    THR  33           H        THR  33   7.817   4.094   1.765
  236    HA   THR  33           HA       THR  33   6.596   3.487  -0.847
  237    HB   THR  33           HB       THR  33   4.716   2.426   0.259
  238    HG1  THR  33           HG1      THR  33   4.720   2.154   2.516
  239   HG21  THR  33          HG21      THR  33   6.808   1.111  -0.278
  240   HG22  THR  33          HG22      THR  33   5.753   0.400   0.943
  241   HG23  THR  33          HG23      THR  33   7.226   1.239   1.430
  242    H    SER  34           H        SER  34   7.325   6.017   0.688
  243    HA   SER  34           HA       SER  34   4.699   7.300   0.385
  244    HB2  SER  34           HB2      SER  34   6.655   7.825   2.637
  245    HB3  SER  34           HB3      SER  34   5.165   8.723   2.348
  246    HG   SER  34           HG       SER  34   4.203   7.235   3.455
  247    H    ASP  35           H        ASP  35   5.009   8.465  -1.412
  248    HA   ASP  35           HA       ASP  35   7.480   9.584  -2.209
  249    HB2  ASP  35           HB2      ASP  35   4.634   9.996  -3.096
  250    HB3  ASP  35           HB3      ASP  35   5.949  10.950  -3.777
  251    H    SER  36           H        SER  36   4.783  10.811  -0.342
  252    HA   SER  36           HA       SER  36   5.600  13.544  -0.398
  253    HB2  SER  36           HB2      SER  36   3.906  13.895   1.306
  254    HB3  SER  36           HB3      SER  36   3.265  12.811   0.071
  255    HG   SER  36           HG       SER  36   3.309  12.363   2.617
  256    H    THR  37           H        THR  37   5.907  10.936   1.994
  257    HA   THR  37           HA       THR  37   7.191  12.374   4.003
  258    HB   THR  37           HB       THR  37   7.757   9.482   3.345
  259    HG1  THR  37           HG1      THR  37   5.613  10.585   4.872
  260   HG21  THR  37          HG21      THR  37   9.098   9.766   5.132
  261   HG22  THR  37          HG22      THR  37   7.597   9.711   6.056
  262   HG23  THR  37          HG23      THR  37   8.304  11.265   5.613
  263    H    PHE  38           H        PHE  38   8.396  11.171   0.983
  264    HA   PHE  38           HA       PHE  38  11.164  11.224   1.644
  265    HB2  PHE  38           HB2      PHE  38   9.988  10.027  -0.324
  266    HB3  PHE  38           HB3      PHE  38  10.089  11.583  -1.141
  267    HD1  PHE  38           HD1      PHE  38  12.222   9.122   0.664
  268    HD2  PHE  38           HD2      PHE  38  11.965  12.086  -2.380
  269    HE1  PHE  38           HE1      PHE  38  14.523   8.601  -0.033
  270    HE2  PHE  38           HE2      PHE  38  14.266  11.568  -3.083
  271    HZ   PHE  38           HZ       PHE  38  15.548   9.825  -1.908
  272    H    LYS  39           H        LYS  39   8.876  13.587   0.467
  273    HA   LYS  39           HA       LYS  39  10.542  15.538  -0.557
  274    HB2  LYS  39           HB2      LYS  39   8.055  15.948   1.115
  275    HB3  LYS  39           HB3      LYS  39   8.793  17.156   0.071
  276    HG2  LYS  39           HG2      LYS  39   8.459  15.262  -1.745
  277    HG3  LYS  39           HG3      LYS  39   7.185  14.765  -0.629
  278    HD2  LYS  39           HD2      LYS  39   6.104  16.882  -0.798
  279    HD3  LYS  39           HD3      LYS  39   7.471  17.578  -1.671
  280    HE2  LYS  39           HE2      LYS  39   6.948  15.630  -3.364
  281    HE3  LYS  39           HE3      LYS  39   5.350  15.714  -2.623
  282    HZ1  LYS  39           HZ1      LYS  39   4.932  17.720  -3.535
  283    HZ2  LYS  39           HZ2      LYS  39   6.058  17.204  -4.687
  284    HZ3  LYS  39           HZ3      LYS  39   6.538  18.243  -3.441
  285    H    LYS  40           H        LYS  40   9.645  14.960   2.824
  286    HA   LYS  40           HA       LYS  40  11.057  17.175   3.883
  287    HB2  LYS  40           HB2      LYS  40   9.918  14.654   5.036
  288    HB3  LYS  40           HB3      LYS  40  10.950  15.677   6.027
  289    HG2  LYS  40           HG2      LYS  40   8.904  16.519   6.567
  290    HG3  LYS  40           HG3      LYS  40   9.315  17.563   5.204
  291    HD2  LYS  40           HD2      LYS  40   8.118  15.661   3.826
  292    HD3  LYS  40           HD3      LYS  40   7.334  15.343   5.375
  293    HE2  LYS  40           HE2      LYS  40   7.456  18.137   4.330
  294    HE3  LYS  40           HE3      LYS  40   6.272  17.014   3.663
  295    HZ1  LYS  40           HZ1      LYS  40   5.561  16.598   6.010
  296    HZ2  LYS  40           HZ2      LYS  40   5.229  18.152   5.431
  297    HZ3  LYS  40           HZ3      LYS  40   6.533  17.901   6.479
  298    H    CYS  41           H        CYS  41  11.869  13.708   3.741
  299    HA   CYS  41           HA       CYS  41  14.391  13.858   4.906
  300    HB2  CYS  41           HB2      CYS  41  13.364  11.717   4.547
  301    HB3  CYS  41           HB3      CYS  41  13.309  11.975   2.806
  302    H    GLN  42           H        GLN  42  13.366  14.519   1.618
  303    HA   GLN  42           HA       GLN  42  15.819  14.528   0.315
  304    HB2  GLN  42           HB2      GLN  42  13.205  15.876  -0.118
  305    HB3  GLN  42           HB3      GLN  42  14.588  16.495  -1.011
  306    HG2  GLN  42           HG2      GLN  42  14.996  14.203  -1.864
  307    HG3  GLN  42           HG3      GLN  42  13.511  13.687  -1.067
  308   HE21  GLN  42          HE21      GLN  42  14.595  14.193  -3.960
  309   HE22  GLN  42          HE22      GLN  42  13.241  14.937  -4.734
  310    H    ASP  43           H        ASP  43  14.287  17.033   2.267
  311    HA   ASP  43           HA       ASP  43  16.228  19.042   1.714
  312    HB2  ASP  43           HB2      ASP  43  13.912  19.499   2.539
  313    HB3  ASP  43           HB3      ASP  43  14.386  18.844   4.104
  314    H    LEU  44           H        LEU  44  15.836  16.626   4.253
  315    HA   LEU  44           HA       LEU  44  17.824  17.505   6.003
  316    HB2  LEU  44           HB2      LEU  44  17.094  14.639   5.432
  317    HB3  LEU  44           HB3      LEU  44  17.829  15.274   6.902
  318    HG   LEU  44           HG       LEU  44  15.010  15.734   5.936
  319   HD11  LEU  44          HD11      LEU  44  15.840  14.517   8.539
  320   HD12  LEU  44          HD12      LEU  44  15.752  13.537   7.076
  321   HD13  LEU  44          HD13      LEU  44  14.313  14.366   7.669
  322   HD21  LEU  44          HD21      LEU  44  16.683  17.288   7.724
  323   HD22  LEU  44          HD22      LEU  44  15.230  16.687   8.524
  324   HD23  LEU  44          HD23      LEU  44  15.093  17.657   7.056
  325    H    LEU  45           H        LEU  45  18.055  15.107   3.378
  326    HA   LEU  45           HA       LEU  45  20.841  14.699   3.652
  327    HB2  LEU  45           HB2      LEU  45  19.029  14.249   1.286
  328    HB3  LEU  45           HB3      LEU  45  20.684  13.657   1.418
  329    HG   LEU  45           HG       LEU  45  18.365  12.829   3.163
  330   HD11  LEU  45          HD11      LEU  45  19.183  10.589   1.933
  331   HD12  LEU  45          HD12      LEU  45  19.532  11.769   0.670
  332   HD13  LEU  45          HD13      LEU  45  17.897  11.624   1.314
  333   HD21  LEU  45          HD21      LEU  45  20.495  11.029   3.381
  334   HD22  LEU  45          HD22      LEU  45  19.909  12.151   4.609
  335   HD23  LEU  45          HD23      LEU  45  21.213  12.634   3.523
  336    H    HIS  46           H        HIS  46  18.936  17.084   2.002
  337    HA   HIS  46           HA       HIS  46  21.340  18.135   0.675
  338    HB2  HIS  46           HB2      HIS  46  19.436  17.707  -0.811
  339    HB3  HIS  46           HB3      HIS  46  18.423  18.761   0.170
  340    HD1  HIS  46           HD1      HIS  46  18.211  21.052  -0.717
  341    HD2  HIS  46           HD2      HIS  46  21.778  19.272  -1.889
  342    HE1  HIS  46           HE1      HIS  46  19.338  22.727  -2.217
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1   1.387  -3.848  -0.272
    2    HA   ALA   1           HA       ALA   1   1.673  -1.023  -0.705
    3    HB1  ALA   1           HB1      ALA   1   3.695  -1.582   1.217
    4    HB2  ALA   1           HB2      ALA   1   2.409  -0.376   1.284
    5    HB3  ALA   1           HB3      ALA   1   2.128  -2.000   1.912
    6    H    ASP   2           H        ASP   2   3.472  -0.530  -1.909
    7    HA   ASP   2           HA       ASP   2   5.177  -2.814  -2.659
    8    HB2  ASP   2           HB2      ASP   2   4.122  -0.503  -4.274
    9    HB3  ASP   2           HB3      ASP   2   5.527  -1.425  -4.802
   10    H    ASN   3           H        ASN   3   7.246  -2.671  -2.122
   11    HA   ASN   3           HA       ASN   3   8.305  -0.243  -1.000
   12    HB2  ASN   3           HB2      ASN   3   9.213  -3.062  -1.269
   13    HB3  ASN   3           HB3      ASN   3  10.462  -1.833  -1.091
   14   HD21  ASN   3          HD21      ASN   3  11.137  -1.899   0.927
   15   HD22  ASN   3          HD22      ASN   3  10.132  -1.925   2.332
   16    H    LYS   4           H        LYS   4   8.505   1.294  -2.581
   17    HA   LYS   4           HA       LYS   4   9.452   0.903  -5.179
   18    HB2  LYS   4           HB2      LYS   4   9.703   3.395  -3.484
   19    HB3  LYS   4           HB3      LYS   4   9.813   3.322  -5.238
   20    HG2  LYS   4           HG2      LYS   4   7.351   2.342  -3.864
   21    HG3  LYS   4           HG3      LYS   4   7.603   4.073  -4.106
   22    HD2  LYS   4           HD2      LYS   4   8.206   3.076  -6.571
   23    HD3  LYS   4           HD3      LYS   4   6.936   1.971  -6.041
   24    HE2  LYS   4           HE2      LYS   4   5.716   4.184  -5.359
   25    HE3  LYS   4           HE3      LYS   4   6.818   4.914  -6.526
   26    HZ1  LYS   4           HZ1      LYS   4   5.576   4.169  -8.183
   27    HZ2  LYS   4           HZ2      LYS   4   4.432   3.633  -7.059
   28    HZ3  LYS   4           HZ3      LYS   4   5.636   2.579  -7.607
   29    H    CYS   5           H        CYS   5  11.146   1.262  -2.160
   30    HA   CYS   5           HA       CYS   5  13.702   1.843  -3.305
   31    HB2  CYS   5           HB2      CYS   5  14.564   1.362  -1.031
   32    HB3  CYS   5           HB3      CYS   5  13.223   2.504  -1.019
   33    H    GLU   6           H        GLU   6  11.886  -1.032  -2.677
   34    HA   GLU   6           HA       GLU   6  13.945  -2.920  -2.514
   35    HB2  GLU   6           HB2      GLU   6  11.606  -3.441  -1.992
   36    HB3  GLU   6           HB3      GLU   6  11.175  -3.238  -3.684
   37    HG2  GLU   6           HG2      GLU   6  11.425  -5.451  -3.791
   38    HG3  GLU   6           HG3      GLU   6  13.148  -5.087  -3.867
   39    H    ASN   7           H        ASN   7  12.481  -1.320  -5.262
   40    HA   ASN   7           HA       ASN   7  14.060  -2.952  -7.114
   41    HB2  ASN   7           HB2      ASN   7  11.689  -2.665  -7.660
   42    HB3  ASN   7           HB3      ASN   7  11.888  -0.915  -7.656
   43   HD21  ASN   7          HD21      ASN   7  11.737  -0.224  -9.661
   44   HD22  ASN   7          HD22      ASN   7  12.524  -0.914 -11.035
   45    H    SER   8           H        SER   8  13.821   0.244  -5.774
   46    HA   SER   8           HA       SER   8  15.879   1.232  -7.620
   47    HB2  SER   8           HB2      SER   8  13.807   2.549  -5.917
   48    HB3  SER   8           HB3      SER   8  15.286   3.439  -6.277
   49    HG   SER   8           HG       SER   8  13.370   3.570  -7.787
   50    H    LEU   9           H        LEU   9  17.909   1.056  -6.969
   51    HA   LEU   9           HA       LEU   9  18.650   0.458  -4.297
   52    HB2  LEU   9           HB2      LEU   9  20.867   0.412  -5.065
   53    HB3  LEU   9           HB3      LEU   9  19.886  -0.168  -6.410
   54    HG   LEU   9           HG       LEU   9  20.045   2.405  -7.102
   55   HD11  LEU   9          HD11      LEU   9  22.515   3.002  -6.672
   56   HD12  LEU   9          HD12      LEU   9  22.388   1.889  -5.310
   57   HD13  LEU   9          HD13      LEU   9  21.337   3.302  -5.394
   58   HD21  LEU   9          HD21      LEU   9  20.666   0.724  -8.621
   59   HD22  LEU   9          HD22      LEU   9  21.993   0.171  -7.598
   60   HD23  LEU   9          HD23      LEU   9  22.107   1.723  -8.429
   61    H    ARG  10           H        ARG  10  18.570   3.415  -6.195
   62    HA   ARG  10           HA       ARG  10  20.036   5.035  -4.404
   63    HB2  ARG  10           HB2      ARG  10  18.259   5.476  -6.731
   64    HB3  ARG  10           HB3      ARG  10  18.428   6.828  -5.620
   65    HG2  ARG  10           HG2      ARG  10  20.937   6.517  -5.862
   66    HG3  ARG  10           HG3      ARG  10  20.561   5.460  -7.224
   67    HD2  ARG  10           HD2      ARG  10  20.952   7.597  -8.148
   68    HD3  ARG  10           HD3      ARG  10  19.203   7.372  -8.166
   69    HE   ARG  10           HE       ARG  10  18.999   9.114  -6.694
   70   HH11  ARG  10          HH11      ARG  10  22.316   8.061  -6.767
   71   HH12  ARG  10          HH12      ARG  10  22.893   9.382  -5.807
   72   HH21  ARG  10          HH21      ARG  10  19.747  10.858  -5.428
   73   HH22  ARG  10          HH22      ARG  10  21.431  10.972  -5.045
   74    H    ARG  11           H        ARG  11  16.557   4.446  -4.784
   75    HA   ARG  11           HA       ARG  11  15.682   6.242  -2.810
   76    HB2  ARG  11           HB2      ARG  11  14.182   5.245  -4.479
   77    HB3  ARG  11           HB3      ARG  11  14.400   3.665  -3.737
   78    HG2  ARG  11           HG2      ARG  11  12.406   4.291  -2.820
   79    HG3  ARG  11           HG3      ARG  11  13.524   4.894  -1.595
   80    HD2  ARG  11           HD2      ARG  11  12.246   6.759  -1.871
   81    HD3  ARG  11           HD3      ARG  11  13.452   7.055  -3.123
   82    HE   ARG  11           HE       ARG  11  11.189   5.598  -4.093
   83   HH11  ARG  11          HH11      ARG  11  12.392   8.776  -3.337
   84   HH12  ARG  11          HH12      ARG  11  11.330   9.583  -4.442
   85   HH21  ARG  11          HH21      ARG  11   9.785   6.649  -5.551
   86   HH22  ARG  11          HH22      ARG  11   9.846   8.373  -5.700
   87    H    GLU  12           H        GLU  12  16.843   2.938  -2.627
   88    HA   GLU  12           HA       GLU  12  16.036   2.484   0.069
   89    HB2  GLU  12           HB2      GLU  12  16.709   0.783  -1.798
   90    HB3  GLU  12           HB3      GLU  12  18.342   1.057  -1.209
   91    HG2  GLU  12           HG2      GLU  12  16.242   0.404   0.780
   92    HG3  GLU  12           HG3      GLU  12  16.818  -0.885  -0.275
   93    H    ILE  13           H        ILE  13  19.120   3.384  -1.447
   94    HA   ILE  13           HA       ILE  13  20.600   3.520   0.956
   95    HB   ILE  13           HB       ILE  13  21.098   4.954  -1.655
   96   HG12  ILE  13          HG12      ILE  13  22.474   2.460  -0.686
   97   HG13  ILE  13          HG13      ILE  13  20.964   2.371  -1.586
   98   HG21  ILE  13          HG21      ILE  13  22.409   6.066  -0.075
   99   HG22  ILE  13          HG22      ILE  13  22.766   4.583   0.808
  100   HG23  ILE  13          HG23      ILE  13  23.501   4.868  -0.769
  101   HD11  ILE  13          HD11      ILE  13  22.288   3.921  -3.261
  102   HD12  ILE  13          HD12      ILE  13  23.674   3.146  -2.494
  103   HD13  ILE  13          HD13      ILE  13  22.445   2.165  -3.291
  104    H    ALA  14           H        ALA  14  18.587   5.826  -0.747
  105    HA   ALA  14           HA       ALA  14  19.426   8.130   0.692
  106    HB1  ALA  14           HB1      ALA  14  17.893   9.281  -0.538
  107    HB2  ALA  14           HB2      ALA  14  18.047   7.846  -1.552
  108    HB3  ALA  14           HB3      ALA  14  16.686   7.999  -0.441
  109    H    CYS  15           H        CYS  15  16.911   5.717   1.177
  110    HA   CYS  15           HA       CYS  15  15.637   7.103   3.330
  111    HB2  CYS  15           HB2      CYS  15  15.393   4.428   2.052
  112    HB3  CYS  15           HB3      CYS  15  14.792   4.591   3.699
  113    H    GLY  16           H        GLY  16  18.123   4.623   3.064
  114    HA2  GLY  16           HA2      GLY  16  18.254   3.777   5.711
  115    HA3  GLY  16           HA3      GLY  16  19.618   3.809   4.603
  116    H    GLN  17           H        GLN  17  19.896   6.528   4.178
  117    HA   GLN  17           HA       GLN  17  21.352   7.298   6.474
  118    HB2  GLN  17           HB2      GLN  17  20.489   8.918   4.073
  119    HB3  GLN  17           HB3      GLN  17  21.645   9.461   5.282
  120    HG2  GLN  17           HG2      GLN  17  23.004   7.404   4.694
  121    HG3  GLN  17           HG3      GLN  17  21.938   7.228   3.301
  122   HE21  GLN  17          HE21      GLN  17  24.159   7.444   2.303
  123   HE22  GLN  17          HE22      GLN  17  24.659   9.040   1.872
  124    H    CYS  18           H        CYS  18  18.404   8.695   5.030
  125    HA   CYS  18           HA       CYS  18  17.892  10.577   7.017
  126    HB2  CYS  18           HB2      CYS  18  16.211   9.179   4.979
  127    HB3  CYS  18           HB3      CYS  18  15.409  10.131   6.225
  128    H    ARG  19           H        ARG  19  17.221   7.149   6.906
  129    HA   ARG  19           HA       ARG  19  15.324   6.947   8.939
  130    HB2  ARG  19           HB2      ARG  19  15.859   5.059   7.519
  131    HB3  ARG  19           HB3      ARG  19  17.506   5.018   8.135
  132    HG2  ARG  19           HG2      ARG  19  16.540   4.535  10.400
  133    HG3  ARG  19           HG3      ARG  19  14.975   4.340   9.607
  134    HD2  ARG  19           HD2      ARG  19  16.484   2.746   8.054
  135    HD3  ARG  19           HD3      ARG  19  17.355   2.592   9.580
  136    HE   ARG  19           HE       ARG  19  14.792   1.495   8.941
  137   HH11  ARG  19          HH11      ARG  19  16.785   2.693  11.532
  138   HH12  ARG  19          HH12      ARG  19  15.978   1.769  12.755
  139   HH21  ARG  19          HH21      ARG  19  13.722   0.273  10.543
  140   HH22  ARG  19          HH22      ARG  19  14.236   0.392  12.191
  141    H    ASP  20           H        ASP  20  18.829   7.204   9.091
  142    HA   ASP  20           HA       ASP  20  18.911   6.792  11.947
  143    HB2  ASP  20           HB2      ASP  20  20.999   7.592   9.919
  144    HB3  ASP  20           HB3      ASP  20  21.339   7.476  11.643
  145    H    LYS  21           H        LYS  21  19.456   9.532   9.745
  146    HA   LYS  21           HA       LYS  21  19.962  11.474  11.685
  147    HB2  LYS  21           HB2      LYS  21  18.608  11.850   9.008
  148    HB3  LYS  21           HB3      LYS  21  19.371  13.113   9.965
  149    HG2  LYS  21           HG2      LYS  21  21.015  10.763   9.205
  150    HG3  LYS  21           HG3      LYS  21  20.610  11.939   7.952
  151    HD2  LYS  21           HD2      LYS  21  22.517  12.910   8.720
  152    HD3  LYS  21           HD3      LYS  21  21.381  13.631   9.863
  153    HE2  LYS  21           HE2      LYS  21  22.966  12.861  11.317
  154    HE3  LYS  21           HE3      LYS  21  21.915  11.447  11.240
  155    HZ1  LYS  21           HZ1      LYS  21  24.632  11.651  10.545
  156    HZ2  LYS  21           HZ2      LYS  21  23.753  11.233   9.162
  157    HZ3  LYS  21           HZ3      LYS  21  23.645  10.276  10.553
  158    H    VAL  22           H        VAL  22  16.893  10.954   9.934
  159    HA   VAL  22           HA       VAL  22  15.305  12.675  11.394
  160    HB   VAL  22           HB       VAL  22  14.447  10.019  10.237
  161   HG11  VAL  22          HG11      VAL  22  12.334  11.689   9.956
  162   HG12  VAL  22          HG12      VAL  22  12.539  10.562  11.299
  163   HG13  VAL  22          HG13      VAL  22  13.004  12.254  11.487
  164   HG21  VAL  22          HG21      VAL  22  15.522  12.243   8.930
  165   HG22  VAL  22          HG22      VAL  22  14.668  10.884   8.199
  166   HG23  VAL  22          HG23      VAL  22  13.781  12.336   8.663
  167    H    LYS  23           H        LYS  23  16.453   9.493  12.238
  168    HA   LYS  23           HA       LYS  23  16.293   8.238  14.128
  169    HB2  LYS  23           HB2      LYS  23  15.944  11.032  15.142
  170    HB3  LYS  23           HB3      LYS  23  15.717   9.685  16.250
  171    HG2  LYS  23           HG2      LYS  23  18.000   8.882  15.579
  172    HG3  LYS  23           HG3      LYS  23  18.201  10.412  14.722
  173    HD2  LYS  23           HD2      LYS  23  19.204  10.600  16.902
  174    HD3  LYS  23           HD3      LYS  23  17.753  11.604  16.854
  175    HE2  LYS  23           HE2      LYS  23  17.390   8.824  17.780
  176    HE3  LYS  23           HE3      LYS  23  18.314   9.882  18.845
  177    HZ1  LYS  23           HZ1      LYS  23  15.545   9.755  18.527
  178    HZ2  LYS  23           HZ2      LYS  23  16.044  11.265  17.952
  179    HZ3  LYS  23           HZ3      LYS  23  16.433  10.791  19.528
  180    H    THR  24           H        THR  24  14.194   7.738  12.699
  181    HA   THR  24           HA       THR  24  12.000   7.615  14.637
  182    HB   THR  24           HB       THR  24  11.650   8.452  11.752
  183    HG1  THR  24           HG1      THR  24  10.832   9.910  14.032
  184   HG21  THR  24          HG21      THR  24   9.851   7.149  13.572
  185   HG22  THR  24          HG22      THR  24   9.581   7.637  11.899
  186   HG23  THR  24          HG23      THR  24   9.267   8.773  13.211
  187    H    ASP  25           H        ASP  25  11.587   5.537  14.951
  188    HA   ASP  25           HA       ASP  25  12.475   3.459  13.280
  189    HB2  ASP  25           HB2      ASP  25  10.480   3.562  15.535
  190    HB3  ASP  25           HB3      ASP  25  10.825   2.065  14.672
  191    H    GLY  26           H        GLY  26  11.607   2.470  11.558
  192    HA2  GLY  26           HA2      GLY  26   9.883   1.672  10.174
  193    HA3  GLY  26           HA3      GLY  26   8.751   2.719  11.017
  194    H    TYR  27           H        TYR  27  10.968   4.872  10.591
  195    HA   TYR  27           HA       TYR  27   9.745   6.264   8.537
  196    HB2  TYR  27           HB2      TYR  27  11.353   7.200  10.222
  197    HB3  TYR  27           HB3      TYR  27  12.665   6.489   9.289
  198    HD1  TYR  27           HD1      TYR  27   9.990   9.032   9.241
  199    HD2  TYR  27           HD2      TYR  27  13.453   7.518   7.288
  200    HE1  TYR  27           HE1      TYR  27  10.064  11.043   7.827
  201    HE2  TYR  27           HE2      TYR  27  13.538   9.525   5.869
  202    HH   TYR  27           HH       TYR  27  12.025  12.299   6.517
  203    H    PHE  28           H        PHE  28  12.625   4.192   8.389
  204    HA   PHE  28           HA       PHE  28  13.299   4.571   5.726
  205    HB2  PHE  28           HB2      PHE  28  14.787   3.360   7.163
  206    HB3  PHE  28           HB3      PHE  28  13.569   2.129   7.483
  207    HD1  PHE  28           HD1      PHE  28  13.037   0.440   5.814
  208    HD2  PHE  28           HD2      PHE  28  16.069   3.349   5.134
  209    HE1  PHE  28           HE1      PHE  28  13.907  -0.908   3.949
  210    HE2  PHE  28           HE2      PHE  28  16.943   2.007   3.267
  211    HZ   PHE  28           HZ       PHE  28  15.862  -0.124   2.671
  212    H    TYR  29           H        TYR  29  11.022   2.254   7.145
  213    HA   TYR  29           HA       TYR  29  10.322   1.093   4.624
  214    HB2  TYR  29           HB2      TYR  29  10.127  -0.198   6.688
  215    HB3  TYR  29           HB3      TYR  29   8.943   0.945   7.313
  216    HD1  TYR  29           HD1      TYR  29   9.529  -1.743   4.875
  217    HD2  TYR  29           HD2      TYR  29   6.653   0.891   6.576
  218    HE1  TYR  29           HE1      TYR  29   7.723  -3.068   3.859
  219    HE2  TYR  29           HE2      TYR  29   4.839  -0.427   5.566
  220    HH   TYR  29           HH       TYR  29   5.488  -3.010   3.299
  221    H    GLU  30           H        GLU  30   9.281   3.833   6.439
  222    HA   GLU  30           HA       GLU  30   6.697   4.082   5.234
  223    HB2  GLU  30           HB2      GLU  30   7.131   5.075   7.409
  224    HB3  GLU  30           HB3      GLU  30   8.398   6.085   6.727
  225    HG2  GLU  30           HG2      GLU  30   6.792   7.313   5.428
  226    HG3  GLU  30           HG3      GLU  30   5.497   6.234   5.944
  227    H    CYS  31           H        CYS  31   9.751   5.878   4.841
  228    HA   CYS  31           HA       CYS  31   8.887   7.460   2.684
  229    HB2  CYS  31           HB2      CYS  31  11.308   7.851   2.279
  230    HB3  CYS  31           HB3      CYS  31  10.847   8.077   3.963
  231    H    CYS  32           H        CYS  32  10.079   4.202   2.854
  232    HA   CYS  32           HA       CYS  32  10.903   3.848   0.197
  233    HB2  CYS  32           HB2      CYS  32  10.066   2.065   2.421
  234    HB3  CYS  32           HB3      CYS  32  10.034   1.380   0.799
  235    H    THR  33           H        THR  33   7.759   4.091   1.602
  236    HA   THR  33           HA       THR  33   6.570   3.581  -1.041
  237    HB   THR  33           HB       THR  33   4.637   2.524  -0.034
  238    HG1  THR  33           HG1      THR  33   5.959   2.580   2.476
  239   HG21  THR  33          HG21      THR  33   5.581   0.470   0.177
  240   HG22  THR  33          HG22      THR  33   6.778   1.022   1.348
  241   HG23  THR  33          HG23      THR  33   7.019   1.329  -0.371
  242    H    SER  34           H        SER  34   7.344   6.007   0.634
  243    HA   SER  34           HA       SER  34   4.740   7.363   0.418
  244    HB2  SER  34           HB2      SER  34   6.811   7.717   2.596
  245    HB3  SER  34           HB3      SER  34   5.428   8.785   2.363
  246    HG   SER  34           HG       SER  34   5.366   6.012   2.964
  247    H    ASP  35           H        ASP  35   5.022   8.488  -1.422
  248    HA   ASP  35           HA       ASP  35   7.474   9.605  -2.277
  249    HB2  ASP  35           HB2      ASP  35   5.532   9.041  -3.762
  250    HB3  ASP  35           HB3      ASP  35   4.696  10.451  -3.118
  251    H    SER  36           H        SER  36   4.874  10.798  -0.283
  252    HA   SER  36           HA       SER  36   5.631  13.549  -0.401
  253    HB2  SER  36           HB2      SER  36   3.996  12.168   1.737
  254    HB3  SER  36           HB3      SER  36   4.013  13.891   1.361
  255    HG   SER  36           HG       SER  36   2.523  13.488  -0.047
  256    H    THR  37           H        THR  37   6.221  10.901   1.871
  257    HA   THR  37           HA       THR  37   7.565  12.397   3.835
  258    HB   THR  37           HB       THR  37   8.034   9.489   3.155
  259    HG1  THR  37           HG1      THR  37   5.985  10.806   4.587
  260   HG21  THR  37          HG21      THR  37   8.330   9.543   5.768
  261   HG22  THR  37          HG22      THR  37   8.711  11.240   5.475
  262   HG23  THR  37          HG23      THR  37   9.667   9.976   4.703
  263    H    PHE  38           H        PHE  38   8.591  11.142   0.766
  264    HA   PHE  38           HA       PHE  38  11.379  11.142   1.210
  265    HB2  PHE  38           HB2      PHE  38   9.968  10.154  -0.758
  266    HB3  PHE  38           HB3      PHE  38  10.193  11.745  -1.478
  267    HD1  PHE  38           HD1      PHE  38  12.196   9.063   0.167
  268    HD2  PHE  38           HD2      PHE  38  12.003  12.058  -2.851
  269    HE1  PHE  38           HE1      PHE  38  14.408   8.369  -0.658
  270    HE2  PHE  38           HE2      PHE  38  14.214  11.370  -3.681
  271    HZ   PHE  38           HZ       PHE  38  15.420   9.522  -2.585
  272    H    LYS  39           H        LYS  39   9.114  13.636   0.217
  273    HA   LYS  39           HA       LYS  39  10.823  15.588  -0.724
  274    HB2  LYS  39           HB2      LYS  39   8.249  15.755   0.824
  275    HB3  LYS  39           HB3      LYS  39   9.098  17.206   0.309
  276    HG2  LYS  39           HG2      LYS  39   8.995  16.313  -2.035
  277    HG3  LYS  39           HG3      LYS  39   7.920  15.052  -1.426
  278    HD2  LYS  39           HD2      LYS  39   7.245  17.854  -0.733
  279    HD3  LYS  39           HD3      LYS  39   7.022  17.366  -2.415
  280    HE2  LYS  39           HE2      LYS  39   5.824  15.303  -1.344
  281    HE3  LYS  39           HE3      LYS  39   5.668  16.367   0.053
  282    HZ1  LYS  39           HZ1      LYS  39   4.027  17.459  -0.931
  283    HZ2  LYS  39           HZ2      LYS  39   4.026  16.287  -2.150
  284    HZ3  LYS  39           HZ3      LYS  39   4.928  17.705  -2.342
  285    H    LYS  40           H        LYS  40   9.744  15.150   2.646
  286    HA   LYS  40           HA       LYS  40  11.323  17.173   3.762
  287    HB2  LYS  40           HB2      LYS  40   9.983  14.725   4.828
  288    HB3  LYS  40           HB3      LYS  40  11.121  15.581   5.861
  289    HG2  LYS  40           HG2      LYS  40   9.098  16.527   6.438
  290    HG3  LYS  40           HG3      LYS  40   9.734  17.675   5.258
  291    HD2  LYS  40           HD2      LYS  40   8.378  16.608   3.509
  292    HD3  LYS  40           HD3      LYS  40   7.727  15.488   4.708
  293    HE2  LYS  40           HE2      LYS  40   7.470  18.486   4.883
  294    HE3  LYS  40           HE3      LYS  40   6.246  17.434   4.175
  295    HZ1  LYS  40           HZ1      LYS  40   6.588  16.248   6.518
  296    HZ2  LYS  40           HZ2      LYS  40   5.455  17.479   6.270
  297    HZ3  LYS  40           HZ3      LYS  40   6.955  17.838   6.966
  298    H    CYS  41           H        CYS  41  11.969  13.697   3.404
  299    HA   CYS  41           HA       CYS  41  14.453  13.627   4.666
  300    HB2  CYS  41           HB2      CYS  41  13.335  11.574   4.121
  301    HB3  CYS  41           HB3      CYS  41  13.346  11.960   2.404
  302    H    GLN  42           H        GLN  42  13.588  14.472   1.359
  303    HA   GLN  42           HA       GLN  42  16.192  14.549   0.294
  304    HB2  GLN  42           HB2      GLN  42  13.567  15.758  -0.481
  305    HB3  GLN  42           HB3      GLN  42  15.029  16.278  -1.307
  306    HG2  GLN  42           HG2      GLN  42  15.480  13.856  -1.803
  307    HG3  GLN  42           HG3      GLN  42  13.860  13.513  -1.199
  308   HE21  GLN  42          HE21      GLN  42  12.073  14.213  -2.370
  309   HE22  GLN  42          HE22      GLN  42  12.192  14.700  -4.023
  310    H    ASP  43           H        ASP  43  14.343  16.843   2.167
  311    HA   ASP  43           HA       ASP  43  15.998  19.102   1.653
  312    HB2  ASP  43           HB2      ASP  43  13.572  18.966   2.633
  313    HB3  ASP  43           HB3      ASP  43  14.407  18.810   4.176
  314    H    LEU  44           H        LEU  44  15.928  16.618   4.158
  315    HA   LEU  44           HA       LEU  44  17.860  17.754   5.860
  316    HB2  LEU  44           HB2      LEU  44  17.377  14.812   5.458
  317    HB3  LEU  44           HB3      LEU  44  18.005  15.613   6.897
  318    HG   LEU  44           HG       LEU  44  15.185  15.832   5.843
  319   HD11  LEU  44          HD11      LEU  44  15.715  13.631   6.794
  320   HD12  LEU  44          HD12      LEU  44  14.566  14.526   7.788
  321   HD13  LEU  44          HD13      LEU  44  16.256  14.414   8.279
  322   HD21  LEU  44          HD21      LEU  44  15.381  17.813   6.943
  323   HD22  LEU  44          HD22      LEU  44  16.691  17.239   7.977
  324   HD23  LEU  44          HD23      LEU  44  15.025  16.773   8.322
  325    H    LEU  45           H        LEU  45  18.192  15.254   3.342
  326    HA   LEU  45           HA       LEU  45  20.982  14.982   3.555
  327    HB2  LEU  45           HB2      LEU  45  19.166  14.493   1.199
  328    HB3  LEU  45           HB3      LEU  45  20.843  13.962   1.307
  329    HG   LEU  45           HG       LEU  45  18.542  13.015   3.014
  330   HD11  LEU  45          HD11      LEU  45  20.192  11.250   1.283
  331   HD12  LEU  45          HD12      LEU  45  18.958  12.256   0.525
  332   HD13  LEU  45          HD13      LEU  45  18.505  11.099   1.776
  333   HD21  LEU  45          HD21      LEU  45  20.528  13.082   4.364
  334   HD22  LEU  45          HD22      LEU  45  21.475  12.317   3.087
  335   HD23  LEU  45          HD23      LEU  45  20.208  11.407   3.912
  336    H    HIS  46           H        HIS  46  18.992  17.335   1.972
  337    HA   HIS  46           HA       HIS  46  21.415  18.598   0.867
  338    HB2  HIS  46           HB2      HIS  46  18.680  18.270  -0.309
  339    HB3  HIS  46           HB3      HIS  46  19.640  19.682  -0.741
  340    HD1  HIS  46           HD1      HIS  46  21.269  19.374  -2.593
  341    HD2  HIS  46           HD2      HIS  46  20.062  15.753  -0.952
  342    HE1  HIS  46           HE1      HIS  46  22.297  17.600  -4.049
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1   1.577  -4.700   1.032
    2    HA   ALA   1           HA       ALA   1   1.272  -2.310  -0.517
    3    HB1  ALA   1           HB1      ALA   1   2.534  -3.054   1.920
    4    HB2  ALA   1           HB2      ALA   1   3.728  -2.262   0.891
    5    HB3  ALA   1           HB3      ALA   1   2.221  -1.437   1.287
    6    H    ASP   2           H        ASP   2   3.473  -1.280  -1.303
    7    HA   ASP   2           HA       ASP   2   4.970  -3.277  -2.856
    8    HB2  ASP   2           HB2      ASP   2   3.494  -0.874  -3.862
    9    HB3  ASP   2           HB3      ASP   2   4.965  -1.388  -4.684
   10    H    ASN   3           H        ASN   3   7.080  -3.091  -2.534
   11    HA   ASN   3           HA       ASN   3   8.131  -0.662  -1.314
   12    HB2  ASN   3           HB2      ASN   3   8.682  -2.915  -0.379
   13    HB3  ASN   3           HB3      ASN   3   9.554  -3.274  -1.866
   14   HD21  ASN   3          HD21      ASN   3  11.070  -3.548   0.172
   15   HD22  ASN   3          HD22      ASN   3  12.114  -2.199   0.446
   16    H    LYS   4           H        LYS   4   8.826   0.898  -2.607
   17    HA   LYS   4           HA       LYS   4   9.618   0.369  -5.329
   18    HB2  LYS   4           HB2      LYS   4   9.360   2.859  -3.662
   19    HB3  LYS   4           HB3      LYS   4  10.109   2.904  -5.252
   20    HG2  LYS   4           HG2      LYS   4   8.149   2.711  -6.323
   21    HG3  LYS   4           HG3      LYS   4   7.506   1.554  -5.155
   22    HD2  LYS   4           HD2      LYS   4   6.738   3.218  -3.737
   23    HD3  LYS   4           HD3      LYS   4   7.853   4.424  -4.383
   24    HE2  LYS   4           HE2      LYS   4   5.959   5.149  -5.400
   25    HE3  LYS   4           HE3      LYS   4   6.440   3.944  -6.593
   26    HZ1  LYS   4           HZ1      LYS   4   4.888   2.415  -5.761
   27    HZ2  LYS   4           HZ2      LYS   4   4.053   3.884  -5.836
   28    HZ3  LYS   4           HZ3      LYS   4   4.617   3.307  -4.349
   29    H    CYS   5           H        CYS   5  11.181   1.072  -2.282
   30    HA   CYS   5           HA       CYS   5  13.693   1.872  -3.113
   31    HB2  CYS   5           HB2      CYS   5  12.852   0.189  -0.752
   32    HB3  CYS   5           HB3      CYS   5  14.504   0.756  -0.979
   33    H    GLU   6           H        GLU   6  12.383  -1.400  -2.833
   34    HA   GLU   6           HA       GLU   6  14.716  -2.846  -3.309
   35    HB2  GLU   6           HB2      GLU   6  12.128  -3.507  -2.840
   36    HB3  GLU   6           HB3      GLU   6  12.252  -3.905  -4.547
   37    HG2  GLU   6           HG2      GLU   6  12.912  -5.891  -3.724
   38    HG3  GLU   6           HG3      GLU   6  14.481  -5.088  -3.681
   39    H    ASN   7           H        ASN   7  12.711  -1.025  -5.475
   40    HA   ASN   7           HA       ASN   7  14.008  -2.166  -7.830
   41    HB2  ASN   7           HB2      ASN   7  11.851  -0.050  -7.656
   42    HB3  ASN   7           HB3      ASN   7  12.404  -0.854  -9.122
   43   HD21  ASN   7          HD21      ASN   7  12.391  -3.373  -8.788
   44   HD22  ASN   7          HD22      ASN   7  10.890  -3.995  -8.197
   45    H    SER   8           H        SER   8  14.042   0.673  -5.834
   46    HA   SER   8           HA       SER   8  15.941   1.953  -7.687
   47    HB2  SER   8           HB2      SER   8  14.142   3.452  -7.425
   48    HB3  SER   8           HB3      SER   8  13.995   3.111  -5.701
   49    HG   SER   8           HG       SER   8  15.976   4.620  -7.037
   50    H    LEU   9           H        LEU   9  17.951   1.479  -7.074
   51    HA   LEU   9           HA       LEU   9  18.738   0.737  -4.482
   52    HB2  LEU   9           HB2      LEU   9  20.932   0.711  -5.289
   53    HB3  LEU   9           HB3      LEU   9  19.929   0.300  -6.678
   54    HG   LEU   9           HG       LEU   9  20.145   2.932  -7.087
   55   HD11  LEU   9          HD11      LEU   9  22.765   3.198  -6.619
   56   HD12  LEU   9          HD12      LEU   9  22.323   2.213  -5.225
   57   HD13  LEU   9          HD13      LEU   9  21.524   3.761  -5.499
   58   HD21  LEU   9          HD21      LEU   9  22.355   2.206  -8.362
   59   HD22  LEU   9          HD22      LEU   9  20.757   1.670  -8.878
   60   HD23  LEU   9          HD23      LEU   9  21.779   0.600  -7.918
   61    H    ARG  10           H        ARG  10  18.648   3.847  -6.112
   62    HA   ARG  10           HA       ARG  10  20.136   5.268  -4.147
   63    HB2  ARG  10           HB2      ARG  10  18.352   6.045  -6.424
   64    HB3  ARG  10           HB3      ARG  10  18.849   7.263  -5.257
   65    HG2  ARG  10           HG2      ARG  10  21.227   6.579  -5.729
   66    HG3  ARG  10           HG3      ARG  10  20.594   5.624  -7.071
   67    HD2  ARG  10           HD2      ARG  10  19.464   8.234  -7.200
   68    HD3  ARG  10           HD3      ARG  10  21.210   8.389  -7.006
   69    HE   ARG  10           HE       ARG  10  21.497   7.514  -9.111
   70   HH11  ARG  10          HH11      ARG  10  18.202   7.047  -8.089
   71   HH12  ARG  10          HH12      ARG  10  17.655   6.525  -9.647
   72   HH21  ARG  10          HH21      ARG  10  20.789   6.828 -11.168
   73   HH22  ARG  10          HH22      ARG  10  19.127   6.400 -11.398
   74    H    ARG  11           H        ARG  11  16.687   4.712  -4.691
   75    HA   ARG  11           HA       ARG  11  15.709   6.439  -2.706
   76    HB2  ARG  11           HB2      ARG  11  14.348   5.370  -4.512
   77    HB3  ARG  11           HB3      ARG  11  14.458   3.850  -3.634
   78    HG2  ARG  11           HG2      ARG  11  12.408   4.639  -2.963
   79    HG3  ARG  11           HG3      ARG  11  13.456   5.220  -1.667
   80    HD2  ARG  11           HD2      ARG  11  12.233   7.111  -2.155
   81    HD3  ARG  11           HD3      ARG  11  13.661   7.343  -3.163
   82    HE   ARG  11           HE       ARG  11  12.318   7.210  -5.001
   83   HH11  ARG  11          HH11      ARG  11  10.655   5.776  -2.299
   84   HH12  ARG  11          HH12      ARG  11   9.174   5.540  -3.168
   85   HH21  ARG  11          HH21      ARG  11  10.375   6.904  -6.156
   86   HH22  ARG  11          HH22      ARG  11   9.017   6.181  -5.362
   87    H    GLU  12           H        GLU  12  16.792   3.088  -2.578
   88    HA   GLU  12           HA       GLU  12  15.955   2.634   0.110
   89    HB2  GLU  12           HB2      GLU  12  16.396   0.851  -1.618
   90    HB3  GLU  12           HB3      GLU  12  18.113   1.160  -1.401
   91    HG2  GLU  12           HG2      GLU  12  16.517   0.585   1.024
   92    HG3  GLU  12           HG3      GLU  12  16.825  -0.748  -0.087
   93    H    ILE  13           H        ILE  13  19.126   3.290  -1.369
   94    HA   ILE  13           HA       ILE  13  20.616   3.333   0.998
   95    HB   ILE  13           HB       ILE  13  21.112   4.881  -1.548
   96   HG12  ILE  13          HG12      ILE  13  22.499   2.345  -0.744
   97   HG13  ILE  13          HG13      ILE  13  20.925   2.274  -1.528
   98   HG21  ILE  13          HG21      ILE  13  23.541   4.282  -0.352
   99   HG22  ILE  13          HG22      ILE  13  22.757   5.860  -0.413
  100   HG23  ILE  13          HG23      ILE  13  22.514   4.809   0.981
  101   HD11  ILE  13          HD11      ILE  13  23.388   3.585  -2.653
  102   HD12  ILE  13          HD12      ILE  13  22.738   2.015  -3.126
  103   HD13  ILE  13          HD13      ILE  13  21.813   3.483  -3.441
  104    H    ALA  14           H        ALA  14  18.690   5.815  -0.567
  105    HA   ALA  14           HA       ALA  14  19.617   7.990   1.012
  106    HB1  ALA  14           HB1      ALA  14  18.613   8.874  -0.799
  107    HB2  ALA  14           HB2      ALA  14  17.476   7.534  -0.956
  108    HB3  ALA  14           HB3      ALA  14  17.174   8.814   0.220
  109    H    CYS  15           H        CYS  15  16.767   5.879   1.216
  110    HA   CYS  15           HA       CYS  15  15.593   7.112   3.452
  111    HB2  CYS  15           HB2      CYS  15  15.318   4.497   2.069
  112    HB3  CYS  15           HB3      CYS  15  14.706   4.591   3.717
  113    H    GLY  16           H        GLY  16  17.962   4.502   3.175
  114    HA2  GLY  16           HA2      GLY  16  18.035   3.615   5.798
  115    HA3  GLY  16           HA3      GLY  16  19.420   3.626   4.717
  116    H    GLN  17           H        GLN  17  19.744   6.375   4.369
  117    HA   GLN  17           HA       GLN  17  21.209   7.030   6.699
  118    HB2  GLN  17           HB2      GLN  17  20.395   8.813   4.398
  119    HB3  GLN  17           HB3      GLN  17  21.640   9.175   5.586
  120    HG2  GLN  17           HG2      GLN  17  22.888   7.180   4.811
  121    HG3  GLN  17           HG3      GLN  17  21.677   6.962   3.549
  122   HE21  GLN  17          HE21      GLN  17  22.153   7.807   1.660
  123   HE22  GLN  17          HE22      GLN  17  23.234   9.124   1.373
  124    H    CYS  18           H        CYS  18  18.303   8.533   5.279
  125    HA   CYS  18           HA       CYS  18  17.820  10.370   7.314
  126    HB2  CYS  18           HB2      CYS  18  16.169   9.097   5.189
  127    HB3  CYS  18           HB3      CYS  18  15.319   9.931   6.486
  128    H    ARG  19           H        ARG  19  17.077   6.962   7.105
  129    HA   ARG  19           HA       ARG  19  15.166   6.749   9.126
  130    HB2  ARG  19           HB2      ARG  19  15.584   4.866   7.716
  131    HB3  ARG  19           HB3      ARG  19  17.280   4.819   8.177
  132    HG2  ARG  19           HG2      ARG  19  16.617   4.201  10.465
  133    HG3  ARG  19           HG3      ARG  19  14.930   4.183   9.947
  134    HD2  ARG  19           HD2      ARG  19  15.148   2.216   8.860
  135    HD3  ARG  19           HD3      ARG  19  16.783   2.584   8.310
  136    HE   ARG  19           HE       ARG  19  17.619   1.538  10.177
  137   HH11  ARG  19          HH11      ARG  19  14.194   2.034  10.551
  138   HH12  ARG  19          HH12      ARG  19  14.075   1.052  11.974
  139   HH21  ARG  19          HH21      ARG  19  17.476   0.243  12.049
  140   HH22  ARG  19          HH22      ARG  19  15.942   0.034  12.825
  141    H    ASP  20           H        ASP  20  18.675   6.915   9.294
  142    HA   ASP  20           HA       ASP  20  18.738   6.420  12.137
  143    HB2  ASP  20           HB2      ASP  20  20.904   7.350  10.239
  144    HB3  ASP  20           HB3      ASP  20  21.159   6.898  11.922
  145    H    LYS  21           H        LYS  21  19.357   9.207  10.015
  146    HA   LYS  21           HA       LYS  21  19.903  11.079  12.014
  147    HB2  LYS  21           HB2      LYS  21  18.851  11.299   9.211
  148    HB3  LYS  21           HB3      LYS  21  18.975  12.730  10.226
  149    HG2  LYS  21           HG2      LYS  21  21.308  10.904   9.749
  150    HG3  LYS  21           HG3      LYS  21  20.915  12.243   8.668
  151    HD2  LYS  21           HD2      LYS  21  20.914  13.672  10.825
  152    HD3  LYS  21           HD3      LYS  21  21.802  12.319  11.530
  153    HE2  LYS  21           HE2      LYS  21  23.604  12.591  10.061
  154    HE3  LYS  21           HE3      LYS  21  22.661  13.577   8.945
  155    HZ1  LYS  21           HZ1      LYS  21  22.602  14.954  11.308
  156    HZ2  LYS  21           HZ2      LYS  21  23.553  15.321   9.958
  157    HZ3  LYS  21           HZ3      LYS  21  24.192  14.381  11.211
  158    H    VAL  22           H        VAL  22  16.833  10.693  10.232
  159    HA   VAL  22           HA       VAL  22  15.285  12.408  11.747
  160    HB   VAL  22           HB       VAL  22  14.349   9.828  10.482
  161   HG11  VAL  22          HG11      VAL  22  12.425  10.395  11.480
  162   HG12  VAL  22          HG12      VAL  22  12.981  12.032  11.835
  163   HG13  VAL  22          HG13      VAL  22  12.325  11.647  10.243
  164   HG21  VAL  22          HG21      VAL  22  13.764  12.175   8.953
  165   HG22  VAL  22          HG22      VAL  22  15.496  12.102   9.278
  166   HG23  VAL  22          HG23      VAL  22  14.690  10.747   8.488
  167    H    LYS  23           H        LYS  23  16.352   9.175  12.476
  168    HA   LYS  23           HA       LYS  23  16.139   7.847  14.311
  169    HB2  LYS  23           HB2      LYS  23  15.684  10.569  15.520
  170    HB3  LYS  23           HB3      LYS  23  15.700   9.108  16.499
  171    HG2  LYS  23           HG2      LYS  23  18.000   8.694  15.348
  172    HG3  LYS  23           HG3      LYS  23  17.933  10.429  15.030
  173    HD2  LYS  23           HD2      LYS  23  17.485   9.295  17.777
  174    HD3  LYS  23           HD3      LYS  23  19.101   9.669  17.172
  175    HE2  LYS  23           HE2      LYS  23  18.244  11.992  16.682
  176    HE3  LYS  23           HE3      LYS  23  16.793  11.559  17.585
  177    HZ1  LYS  23           HZ1      LYS  23  18.969  10.861  19.161
  178    HZ2  LYS  23           HZ2      LYS  23  17.862  12.112  19.426
  179    HZ3  LYS  23           HZ3      LYS  23  19.290  12.414  18.570
  180    H    THR  24           H        THR  24  14.016   7.551  12.788
  181    HA   THR  24           HA       THR  24  11.799   7.377  14.707
  182    HB   THR  24           HB       THR  24  11.525   8.298  11.839
  183    HG1  THR  24           HG1      THR  24  10.740   9.703  14.172
  184   HG21  THR  24          HG21      THR  24   9.533   7.426  13.893
  185   HG22  THR  24          HG22      THR  24   9.588   7.074  12.166
  186   HG23  THR  24          HG23      THR  24   9.097   8.672  12.724
  187    H    ASP  25           H        ASP  25  11.329   5.302  14.955
  188    HA   ASP  25           HA       ASP  25  12.196   3.250  13.238
  189    HB2  ASP  25           HB2      ASP  25  10.062   3.251  15.380
  190    HB3  ASP  25           HB3      ASP  25  10.657   1.799  14.579
  191    H    GLY  26           H        GLY  26  11.328   2.334  11.477
  192    HA2  GLY  26           HA2      GLY  26   9.599   1.611  10.055
  193    HA3  GLY  26           HA3      GLY  26   8.485   2.668  10.910
  194    H    TYR  27           H        TYR  27  10.736   4.786  10.576
  195    HA   TYR  27           HA       TYR  27   9.586   6.249   8.534
  196    HB2  TYR  27           HB2      TYR  27  11.187   7.106  10.269
  197    HB3  TYR  27           HB3      TYR  27  12.498   6.393   9.335
  198    HD1  TYR  27           HD1      TYR  27   9.914   9.018   9.364
  199    HD2  TYR  27           HD2      TYR  27  13.297   7.431   7.329
  200    HE1  TYR  27           HE1      TYR  27  10.050  11.064   8.005
  201    HE2  TYR  27           HE2      TYR  27  13.443   9.473   5.965
  202    HH   TYR  27           HH       TYR  27  11.113  12.126   6.377
  203    H    PHE  28           H        PHE  28  12.405   4.099   8.383
  204    HA   PHE  28           HA       PHE  28  13.148   4.531   5.746
  205    HB2  PHE  28           HB2      PHE  28  14.570   3.233   7.169
  206    HB3  PHE  28           HB3      PHE  28  13.305   2.039   7.444
  207    HD1  PHE  28           HD1      PHE  28  15.825   3.268   5.100
  208    HD2  PHE  28           HD2      PHE  28  12.796   0.359   5.790
  209    HE1  PHE  28           HE1      PHE  28  16.680   1.936   3.216
  210    HE2  PHE  28           HE2      PHE  28  13.646  -0.978   3.908
  211    HZ   PHE  28           HZ       PHE  28  15.590  -0.189   2.617
  212    H    TYR  29           H        TYR  29  10.777   2.239   7.050
  213    HA   TYR  29           HA       TYR  29  10.090   1.181   4.480
  214    HB2  TYR  29           HB2      TYR  29   9.846  -0.025   6.696
  215    HB3  TYR  29           HB3      TYR  29   8.449   0.998   7.009
  216    HD1  TYR  29           HD1      TYR  29   9.791  -1.659   4.829
  217    HD2  TYR  29           HD2      TYR  29   6.351   0.580   5.952
  218    HE1  TYR  29           HE1      TYR  29   8.367  -3.237   3.591
  219    HE2  TYR  29           HE2      TYR  29   4.917  -0.993   4.718
  220    HH   TYR  29           HH       TYR  29   5.737  -3.934   3.850
  221    H    GLU  30           H        GLU  30   9.085   3.884   6.375
  222    HA   GLU  30           HA       GLU  30   6.535   4.248   5.130
  223    HB2  GLU  30           HB2      GLU  30   7.055   5.143   7.370
  224    HB3  GLU  30           HB3      GLU  30   8.238   6.228   6.653
  225    HG2  GLU  30           HG2      GLU  30   6.600   7.523   5.616
  226    HG3  GLU  30           HG3      GLU  30   5.367   6.278   5.805
  227    H    CYS  31           H        CYS  31   9.645   5.970   4.852
  228    HA   CYS  31           HA       CYS  31   8.864   7.645   2.734
  229    HB2  CYS  31           HB2      CYS  31  11.300   7.988   2.388
  230    HB3  CYS  31           HB3      CYS  31  10.817   8.162   4.072
  231    H    CYS  32           H        CYS  32   9.965   4.352   2.816
  232    HA   CYS  32           HA       CYS  32  10.774   4.106   0.121
  233    HB2  CYS  32           HB2      CYS  32  10.042   2.226   2.311
  234    HB3  CYS  32           HB3      CYS  32  10.035   1.598   0.666
  235    H    THR  33           H        THR  33   7.673   4.189   1.644
  236    HA   THR  33           HA       THR  33   6.409   3.626  -0.959
  237    HB   THR  33           HB       THR  33   4.528   2.597   0.129
  238    HG1  THR  33           HG1      THR  33   5.856   3.008   2.616
  239   HG21  THR  33          HG21      THR  33   5.573   0.628   0.256
  240   HG22  THR  33          HG22      THR  33   6.444   1.116   1.710
  241   HG23  THR  33          HG23      THR  33   7.094   1.508   0.119
  242    H    SER  34           H        SER  34   7.242   6.128   0.590
  243    HA   SER  34           HA       SER  34   4.669   7.513   0.279
  244    HB2  SER  34           HB2      SER  34   5.334   7.069   2.727
  245    HB3  SER  34           HB3      SER  34   6.604   8.263   2.465
  246    HG   SER  34           HG       SER  34   5.141   9.720   2.782
  247    H    ASP  35           H        ASP  35   5.043   8.662  -1.518
  248    HA   ASP  35           HA       ASP  35   7.560   9.695  -2.285
  249    HB2  ASP  35           HB2      ASP  35   5.354   9.239  -3.665
  250    HB3  ASP  35           HB3      ASP  35   5.027  10.928  -3.283
  251    H    SER  36           H        SER  36   4.870  11.028  -0.472
  252    HA   SER  36           HA       SER  36   5.735  13.729  -0.520
  253    HB2  SER  36           HB2      SER  36   4.140  12.646   1.769
  254    HB3  SER  36           HB3      SER  36   3.961  14.171   0.902
  255    HG   SER  36           HG       SER  36   3.211  12.900  -0.901
  256    H    THR  37           H        THR  37   6.133  11.109   1.839
  257    HA   THR  37           HA       THR  37   7.505  12.569   3.794
  258    HB   THR  37           HB       THR  37   7.879   9.637   3.161
  259    HG1  THR  37           HG1      THR  37   6.019  10.850   4.947
  260   HG21  THR  37          HG21      THR  37   9.539  10.272   4.709
  261   HG22  THR  37          HG22      THR  37   8.245   9.581   5.688
  262   HG23  THR  37          HG23      THR  37   8.434  11.331   5.584
  263    H    PHE  38           H        PHE  38   8.556  11.262   0.761
  264    HA   PHE  38           HA       PHE  38  11.334  11.169   1.281
  265    HB2  PHE  38           HB2      PHE  38  10.005  10.141  -0.682
  266    HB3  PHE  38           HB3      PHE  38  10.162  11.726  -1.433
  267    HD1  PHE  38           HD1      PHE  38  12.282   9.155   0.243
  268    HD2  PHE  38           HD2      PHE  38  11.948  12.086  -2.825
  269    HE1  PHE  38           HE1      PHE  38  14.514   8.535  -0.587
  270    HE2  PHE  38           HE2      PHE  38  14.179  11.470  -3.661
  271    HZ   PHE  38           HZ       PHE  38  15.465   9.694  -2.541
  272    H    LYS  39           H        LYS  39   9.162  13.721   0.274
  273    HA   LYS  39           HA       LYS  39  10.961  15.600  -0.688
  274    HB2  LYS  39           HB2      LYS  39   8.370  15.912   0.820
  275    HB3  LYS  39           HB3      LYS  39   9.268  17.294   0.205
  276    HG2  LYS  39           HG2      LYS  39   9.020  16.525  -2.053
  277    HG3  LYS  39           HG3      LYS  39   8.281  15.020  -1.502
  278    HD2  LYS  39           HD2      LYS  39   6.306  16.076  -0.873
  279    HD3  LYS  39           HD3      LYS  39   7.071  17.664  -0.780
  280    HE2  LYS  39           HE2      LYS  39   7.404  17.497  -3.285
  281    HE3  LYS  39           HE3      LYS  39   6.336  16.096  -3.242
  282    HZ1  LYS  39           HZ1      LYS  39   5.573  18.769  -2.209
  283    HZ2  LYS  39           HZ2      LYS  39   4.563  17.433  -2.441
  284    HZ3  LYS  39           HZ3      LYS  39   5.221  18.237  -3.776
  285    H    LYS  40           H        LYS  40   9.771  15.250   2.655
  286    HA   LYS  40           HA       LYS  40  11.343  17.248   3.801
  287    HB2  LYS  40           HB2      LYS  40   9.932  14.832   4.817
  288    HB3  LYS  40           HB3      LYS  40  11.111  15.589   5.879
  289    HG2  LYS  40           HG2      LYS  40   9.122  16.605   6.482
  290    HG3  LYS  40           HG3      LYS  40   9.845  17.773   5.373
  291    HD2  LYS  40           HD2      LYS  40   8.055  15.707   4.215
  292    HD3  LYS  40           HD3      LYS  40   7.307  16.990   5.169
  293    HE2  LYS  40           HE2      LYS  40   9.316  17.756   3.116
  294    HE3  LYS  40           HE3      LYS  40   7.724  17.238   2.564
  295    HZ1  LYS  40           HZ1      LYS  40   6.920  19.217   3.084
  296    HZ2  LYS  40           HZ2      LYS  40   8.461  19.734   3.553
  297    HZ3  LYS  40           HZ3      LYS  40   7.416  19.047   4.693
  298    H    CYS  41           H        CYS  41  11.975  13.746   3.612
  299    HA   CYS  41           HA       CYS  41  14.460  13.732   4.856
  300    HB2  CYS  41           HB2      CYS  41  13.333  11.659   4.404
  301    HB3  CYS  41           HB3      CYS  41  13.355  11.963   2.670
  302    H    GLN  42           H        GLN  42  13.622  14.342   1.481
  303    HA   GLN  42           HA       GLN  42  16.177  14.352   0.378
  304    HB2  GLN  42           HB2      GLN  42  13.577  15.616  -0.334
  305    HB3  GLN  42           HB3      GLN  42  15.020  16.196  -1.156
  306    HG2  GLN  42           HG2      GLN  42  14.365  13.277  -1.024
  307    HG3  GLN  42           HG3      GLN  42  13.667  14.328  -2.255
  308   HE21  GLN  42          HE21      GLN  42  14.781  14.623  -4.055
  309   HE22  GLN  42          HE22      GLN  42  16.450  14.241  -4.284
  310    H    ASP  43           H        ASP  43  14.457  16.840   2.164
  311    HA   ASP  43           HA       ASP  43  16.314  18.931   1.629
  312    HB2  ASP  43           HB2      ASP  43  13.918  19.218   2.400
  313    HB3  ASP  43           HB3      ASP  43  14.460  18.738   4.005
  314    H    LEU  44           H        LEU  44  15.893  16.639   4.294
  315    HA   LEU  44           HA       LEU  44  17.806  17.636   6.045
  316    HB2  LEU  44           HB2      LEU  44  17.150  14.735   5.555
  317    HB3  LEU  44           HB3      LEU  44  17.889  15.411   7.005
  318    HG   LEU  44           HG       LEU  44  15.065  15.877   6.048
  319   HD11  LEU  44          HD11      LEU  44  15.699  14.671   8.673
  320   HD12  LEU  44          HD12      LEU  44  15.954  13.666   7.247
  321   HD13  LEU  44          HD13      LEU  44  14.362  14.353   7.567
  322   HD21  LEU  44          HD21      LEU  44  15.184  16.791   8.604
  323   HD22  LEU  44          HD22      LEU  44  15.285  17.809   7.167
  324   HD23  LEU  44          HD23      LEU  44  16.759  17.286   7.984
  325    H    LEU  45           H        LEU  45  18.207  15.172   3.506
  326    HA   LEU  45           HA       LEU  45  20.993  14.857   3.893
  327    HB2  LEU  45           HB2      LEU  45  19.251  14.271   1.505
  328    HB3  LEU  45           HB3      LEU  45  20.937  13.779   1.652
  329    HG   LEU  45           HG       LEU  45  18.687  12.860   3.441
  330   HD11  LEU  45          HD11      LEU  45  20.189  11.175   1.471
  331   HD12  LEU  45          HD12      LEU  45  18.747  12.073   0.997
  332   HD13  LEU  45          HD13      LEU  45  18.648  10.852   2.266
  333   HD21  LEU  45          HD21      LEU  45  21.056  11.242   3.468
  334   HD22  LEU  45          HD22      LEU  45  20.232  12.041   4.808
  335   HD23  LEU  45          HD23      LEU  45  21.457  12.909   3.882
  336    H    HIS  46           H        HIS  46  19.082  17.151   2.135
  337    HA   HIS  46           HA       HIS  46  21.108  18.062   0.362
  338    HB2  HIS  46           HB2      HIS  46  18.582  18.428   0.174
  339    HB3  HIS  46           HB3      HIS  46  18.793  19.720   1.352
  340    HD1  HIS  46           HD1      HIS  46  20.364  21.738   0.572
  341    HD2  HIS  46           HD2      HIS  46  19.173  19.104  -2.412
  342    HE1  HIS  46           HE1      HIS  46  20.802  22.935  -1.596
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1   0.252  -1.947  -0.050
    2    HA   ALA   1           HA       ALA   1   1.511  -0.733  -2.090
    3    HB1  ALA   1           HB1      ALA   1   2.876   0.481  -0.476
    4    HB2  ALA   1           HB2      ALA   1   1.225   0.284   0.114
    5    HB3  ALA   1           HB3      ALA   1   2.517  -0.732   0.753
    6    H    ASP   2           H        ASP   2   3.454  -0.762  -3.137
    7    HA   ASP   2           HA       ASP   2   5.146  -3.108  -2.630
    8    HB2  ASP   2           HB2      ASP   2   4.823  -1.383  -5.092
    9    HB3  ASP   2           HB3      ASP   2   5.999  -2.686  -4.948
   10    H    ASN   3           H        ASN   3   7.313  -2.931  -2.257
   11    HA   ASN   3           HA       ASN   3   8.259  -0.421  -1.258
   12    HB2  ASN   3           HB2      ASN   3   9.289  -3.207  -1.392
   13    HB3  ASN   3           HB3      ASN   3  10.481  -1.921  -1.231
   14   HD21  ASN   3          HD21      ASN   3  11.114  -2.137   0.820
   15   HD22  ASN   3          HD22      ASN   3  10.068  -2.053   2.193
   16    H    LYS   4           H        LYS   4   8.723   1.140  -2.680
   17    HA   LYS   4           HA       LYS   4   9.673   0.670  -5.315
   18    HB2  LYS   4           HB2      LYS   4   9.744   3.218  -3.687
   19    HB3  LYS   4           HB3      LYS   4   9.960   3.102  -5.429
   20    HG2  LYS   4           HG2      LYS   4   7.458   2.120  -4.110
   21    HG3  LYS   4           HG3      LYS   4   7.674   3.822  -4.526
   22    HD2  LYS   4           HD2      LYS   4   8.440   2.508  -6.825
   23    HD3  LYS   4           HD3      LYS   4   7.090   1.535  -6.237
   24    HE2  LYS   4           HE2      LYS   4   5.682   3.514  -6.138
   25    HE3  LYS   4           HE3      LYS   4   7.034   4.524  -6.649
   26    HZ1  LYS   4           HZ1      LYS   4   6.487   4.121  -8.739
   27    HZ2  LYS   4           HZ2      LYS   4   5.207   3.130  -8.250
   28    HZ3  LYS   4           HZ3      LYS   4   6.739   2.463  -8.512
   29    H    CYS   5           H        CYS   5  11.224   1.231  -2.243
   30    HA   CYS   5           HA       CYS   5  13.804   1.843  -3.314
   31    HB2  CYS   5           HB2      CYS   5  14.586   1.512  -0.985
   32    HB3  CYS   5           HB3      CYS   5  13.208   2.604  -1.087
   33    H    GLU   6           H        GLU   6  12.097  -1.070  -2.453
   34    HA   GLU   6           HA       GLU   6  14.210  -2.857  -2.166
   35    HB2  GLU   6           HB2      GLU   6  11.352  -3.087  -2.952
   36    HB3  GLU   6           HB3      GLU   6  12.392  -4.461  -3.296
   37    HG2  GLU   6           HG2      GLU   6  12.042  -3.191  -0.590
   38    HG3  GLU   6           HG3      GLU   6  11.229  -4.654  -1.142
   39    H    ASN   7           H        ASN   7  12.939  -1.330  -5.001
   40    HA   ASN   7           HA       ASN   7  14.536  -3.083  -6.733
   41    HB2  ASN   7           HB2      ASN   7  12.031  -2.532  -7.162
   42    HB3  ASN   7           HB3      ASN   7  12.638  -0.982  -7.738
   43   HD21  ASN   7          HD21      ASN   7  11.371  -2.194  -9.587
   44   HD22  ASN   7          HD22      ASN   7  12.395  -3.009 -10.716
   45    H    SER   8           H        SER   8  14.203   0.196  -5.599
   46    HA   SER   8           HA       SER   8  16.332   1.102  -7.397
   47    HB2  SER   8           HB2      SER   8  14.220   2.477  -5.792
   48    HB3  SER   8           HB3      SER   8  15.707   3.356  -6.146
   49    HG   SER   8           HG       SER   8  13.627   2.940  -7.741
   50    H    LEU   9           H        LEU   9  18.350   0.988  -6.697
   51    HA   LEU   9           HA       LEU   9  19.045   0.446  -4.006
   52    HB2  LEU   9           HB2      LEU   9  21.292   0.488  -4.722
   53    HB3  LEU   9           HB3      LEU   9  20.355  -0.186  -6.054
   54    HG   LEU   9           HG       LEU   9  20.415   2.377  -6.827
   55   HD11  LEU   9          HD11      LEU   9  21.768   3.564  -5.506
   56   HD12  LEU   9          HD12      LEU   9  23.083   2.720  -6.323
   57   HD13  LEU   9          HD13      LEU   9  22.476   2.122  -4.779
   58   HD21  LEU   9          HD21      LEU   9  22.798   0.619  -7.315
   59   HD22  LEU   9          HD22      LEU   9  21.998   1.733  -8.424
   60   HD23  LEU   9          HD23      LEU   9  21.205   0.226  -7.964
   61    H    ARG  10           H        ARG  10  18.960   3.385  -5.937
   62    HA   ARG  10           HA       ARG  10  20.314   5.043  -4.080
   63    HB2  ARG  10           HB2      ARG  10  18.687   5.438  -6.525
   64    HB3  ARG  10           HB3      ARG  10  18.777   6.806  -5.423
   65    HG2  ARG  10           HG2      ARG  10  21.220   6.736  -5.540
   66    HG3  ARG  10           HG3      ARG  10  21.121   5.374  -6.658
   67    HD2  ARG  10           HD2      ARG  10  20.226   8.212  -7.092
   68    HD3  ARG  10           HD3      ARG  10  21.445   7.305  -7.986
   69    HE   ARG  10           HE       ARG  10  18.630   7.308  -8.448
   70   HH11  ARG  10          HH11      ARG  10  21.502   5.350  -8.643
   71   HH12  ARG  10          HH12      ARG  10  20.884   4.339  -9.907
   72   HH21  ARG  10          HH21      ARG  10  17.806   5.984 -10.111
   73   HH22  ARG  10          HH22      ARG  10  18.782   4.701 -10.742
   74    H    ARG  11           H        ARG  11  16.878   4.389  -4.670
   75    HA   ARG  11           HA       ARG  11  15.845   6.208  -2.797
   76    HB2  ARG  11           HB2      ARG  11  14.470   5.150  -4.530
   77    HB3  ARG  11           HB3      ARG  11  14.677   3.588  -3.751
   78    HG2  ARG  11           HG2      ARG  11  12.597   4.218  -3.008
   79    HG3  ARG  11           HG3      ARG  11  13.631   4.772  -1.690
   80    HD2  ARG  11           HD2      ARG  11  12.254   6.599  -2.065
   81    HD3  ARG  11           HD3      ARG  11  13.698   7.002  -2.993
   82    HE   ARG  11           HE       ARG  11  11.931   5.660  -4.685
   83   HH11  ARG  11          HH11      ARG  11  12.133   8.660  -2.931
   84   HH12  ARG  11          HH12      ARG  11  11.144   9.534  -4.054
   85   HH21  ARG  11          HH21      ARG  11  10.628   6.799  -6.171
   86   HH22  ARG  11          HH22      ARG  11  10.288   8.474  -5.896
   87    H    GLU  12           H        GLU  12  17.025   2.918  -2.468
   88    HA   GLU  12           HA       GLU  12  16.073   2.530   0.191
   89    HB2  GLU  12           HB2      GLU  12  16.813   0.768  -1.564
   90    HB3  GLU  12           HB3      GLU  12  18.436   1.085  -0.969
   91    HG2  GLU  12           HG2      GLU  12  17.440   0.612   1.357
   92    HG3  GLU  12           HG3      GLU  12  16.108  -0.123   0.466
   93    H    ILE  13           H        ILE  13  19.243   3.375  -1.175
   94    HA   ILE  13           HA       ILE  13  20.607   3.570   1.280
   95    HB   ILE  13           HB       ILE  13  21.187   4.998  -1.318
   96   HG12  ILE  13          HG12      ILE  13  22.627   2.572  -0.295
   97   HG13  ILE  13          HG13      ILE  13  21.108   2.391  -1.165
   98   HG21  ILE  13          HG21      ILE  13  23.563   4.569   0.054
   99   HG22  ILE  13          HG22      ILE  13  22.725   6.106  -0.154
  100   HG23  ILE  13          HG23      ILE  13  22.434   5.132   1.286
  101   HD11  ILE  13          HD11      ILE  13  23.696   3.527  -2.163
  102   HD12  ILE  13          HD12      ILE  13  22.803   2.129  -2.762
  103   HD13  ILE  13          HD13      ILE  13  22.168   3.755  -3.011
  104    H    ALA  14           H        ALA  14  18.580   5.812  -0.469
  105    HA   ALA  14           HA       ALA  14  19.343   8.154   0.951
  106    HB1  ALA  14           HB1      ALA  14  17.953   7.764  -1.296
  107    HB2  ALA  14           HB2      ALA  14  16.611   7.983  -0.171
  108    HB3  ALA  14           HB3      ALA  14  17.834   9.242  -0.342
  109    H    CYS  15           H        CYS  15  16.740   5.787   1.353
  110    HA   CYS  15           HA       CYS  15  15.492   7.136   3.526
  111    HB2  CYS  15           HB2      CYS  15  15.273   4.420   2.296
  112    HB3  CYS  15           HB3      CYS  15  14.561   4.690   3.883
  113    H    GLY  16           H        GLY  16  17.997   4.685   3.263
  114    HA2  GLY  16           HA2      GLY  16  18.084   3.805   5.910
  115    HA3  GLY  16           HA3      GLY  16  19.458   3.834   4.815
  116    H    GLN  17           H        GLN  17  19.814   6.522   4.404
  117    HA   GLN  17           HA       GLN  17  21.206   7.277   6.747
  118    HB2  GLN  17           HB2      GLN  17  20.469   8.942   4.333
  119    HB3  GLN  17           HB3      GLN  17  21.656   9.385   5.553
  120    HG2  GLN  17           HG2      GLN  17  23.000   7.430   4.941
  121    HG3  GLN  17           HG3      GLN  17  21.819   7.021   3.697
  122   HE21  GLN  17          HE21      GLN  17  22.248   7.716   1.735
  123   HE22  GLN  17          HE22      GLN  17  23.276   9.041   1.324
  124    H    CYS  18           H        CYS  18  18.344   8.718   5.179
  125    HA   CYS  18           HA       CYS  18  17.807  10.647   7.114
  126    HB2  CYS  18           HB2      CYS  18  16.214   9.278   5.004
  127    HB3  CYS  18           HB3      CYS  18  15.329  10.168   6.239
  128    H    ARG  19           H        ARG  19  17.072   7.232   7.044
  129    HA   ARG  19           HA       ARG  19  15.103   7.110   9.017
  130    HB2  ARG  19           HB2      ARG  19  15.630   5.182   7.655
  131    HB3  ARG  19           HB3      ARG  19  17.263   5.122   8.304
  132    HG2  ARG  19           HG2      ARG  19  16.256   4.691  10.556
  133    HG3  ARG  19           HG3      ARG  19  14.695   4.529   9.749
  134    HD2  ARG  19           HD2      ARG  19  16.336   2.901   8.259
  135    HD3  ARG  19           HD3      ARG  19  16.931   2.664   9.902
  136    HE   ARG  19           HE       ARG  19  14.175   2.474  10.030
  137   HH11  ARG  19          HH11      ARG  19  16.790   0.801   8.454
  138   HH12  ARG  19          HH12      ARG  19  15.975  -0.728   8.436
  139   HH21  ARG  19          HH21      ARG  19  13.091   0.467  10.012
  140   HH22  ARG  19          HH22      ARG  19  13.870  -0.916   9.321
  141    H    ASP  20           H        ASP  20  18.607   7.290   9.278
  142    HA   ASP  20           HA       ASP  20  18.583   6.935  12.144
  143    HB2  ASP  20           HB2      ASP  20  20.479   6.140  10.775
  144    HB3  ASP  20           HB3      ASP  20  20.831   7.803  10.314
  145    H    LYS  21           H        LYS  21  19.031   9.601   9.862
  146    HA   LYS  21           HA       LYS  21  19.642  11.592  11.752
  147    HB2  LYS  21           HB2      LYS  21  18.360  11.791   9.023
  148    HB3  LYS  21           HB3      LYS  21  18.888  13.181   9.962
  149    HG2  LYS  21           HG2      LYS  21  21.178  11.942   9.995
  150    HG3  LYS  21           HG3      LYS  21  20.516  11.086   8.600
  151    HD2  LYS  21           HD2      LYS  21  20.304  13.071   7.351
  152    HD3  LYS  21           HD3      LYS  21  20.513  14.087   8.780
  153    HE2  LYS  21           HE2      LYS  21  22.632  12.307   7.578
  154    HE3  LYS  21           HE3      LYS  21  22.514  14.050   7.341
  155    HZ1  LYS  21           HZ1      LYS  21  23.440  12.551   9.649
  156    HZ2  LYS  21           HZ2      LYS  21  22.496  13.912   9.995
  157    HZ3  LYS  21           HZ3      LYS  21  23.913  14.075   9.085
  158    H    VAL  22           H        VAL  22  16.546  10.953  10.094
  159    HA   VAL  22           HA       VAL  22  14.983  12.761  11.503
  160    HB   VAL  22           HB       VAL  22  14.085  10.070  10.464
  161   HG11  VAL  22          HG11      VAL  22  11.990  11.717  10.103
  162   HG12  VAL  22          HG12      VAL  22  12.213  10.726  11.547
  163   HG13  VAL  22          HG13      VAL  22  12.687  12.426  11.560
  164   HG21  VAL  22          HG21      VAL  22  14.415  10.823   8.402
  165   HG22  VAL  22          HG22      VAL  22  13.412  12.234   8.737
  166   HG23  VAL  22          HG23      VAL  22  15.145  12.287   9.061
  167    H    LYS  23           H        LYS  23  16.250   9.695  12.489
  168    HA   LYS  23           HA       LYS  23  16.154   8.527  14.438
  169    HB2  LYS  23           HB2      LYS  23  15.484  11.309  15.339
  170    HB3  LYS  23           HB3      LYS  23  15.441   9.976  16.486
  171    HG2  LYS  23           HG2      LYS  23  17.868  10.341  14.802
  172    HG3  LYS  23           HG3      LYS  23  17.601  11.422  16.172
  173    HD2  LYS  23           HD2      LYS  23  18.808   9.738  17.171
  174    HD3  LYS  23           HD3      LYS  23  17.158   9.181  17.459
  175    HE2  LYS  23           HE2      LYS  23  17.288   7.565  15.775
  176    HE3  LYS  23           HE3      LYS  23  18.687   8.330  15.023
  177    HZ1  LYS  23           HZ1      LYS  23  18.593   6.378  17.102
  178    HZ2  LYS  23           HZ2      LYS  23  19.512   7.722  17.558
  179    HZ3  LYS  23           HZ3      LYS  23  19.901   6.870  16.149
  180    H    THR  24           H        THR  24  13.967   8.205  12.773
  181    HA   THR  24           HA       THR  24  11.815   7.773  14.734
  182    HB   THR  24           HB       THR  24  11.451   8.658  11.865
  183    HG1  THR  24           HG1      THR  24  10.378  10.448  13.041
  184   HG21  THR  24          HG21      THR  24   9.002   8.831  12.790
  185   HG22  THR  24          HG22      THR  24   9.560   7.597  13.919
  186   HG23  THR  24          HG23      THR  24   9.618   7.296  12.182
  187    H    ASP  25           H        ASP  25  11.523   5.666  14.992
  188    HA   ASP  25           HA       ASP  25  12.549   3.692  13.266
  189    HB2  ASP  25           HB2      ASP  25  11.636   3.687  15.819
  190    HB3  ASP  25           HB3      ASP  25  10.280   2.920  14.996
  191    H    GLY  26           H        GLY  26  11.693   2.583  11.591
  192    HA2  GLY  26           HA2      GLY  26  10.001   1.730  10.206
  193    HA3  GLY  26           HA3      GLY  26   8.836   2.747  11.040
  194    H    TYR  27           H        TYR  27  11.011   4.952  10.579
  195    HA   TYR  27           HA       TYR  27   9.737   6.305   8.534
  196    HB2  TYR  27           HB2      TYR  27  11.367   7.268  10.192
  197    HB3  TYR  27           HB3      TYR  27  12.667   6.589   9.219
  198    HD1  TYR  27           HD1      TYR  27   9.886   9.031   9.198
  199    HD2  TYR  27           HD2      TYR  27  13.424   7.682   7.258
  200    HE1  TYR  27           HE1      TYR  27   9.876  11.047   7.789
  201    HE2  TYR  27           HE2      TYR  27  13.424   9.694   5.845
  202    HH   TYR  27           HH       TYR  27  11.111  12.299   6.359
  203    H    PHE  28           H        PHE  28  12.660   4.296   8.353
  204    HA   PHE  28           HA       PHE  28  13.299   4.657   5.688
  205    HB2  PHE  28           HB2      PHE  28  14.803   3.445   7.097
  206    HB3  PHE  28           HB3      PHE  28  13.586   2.224   7.452
  207    HD1  PHE  28           HD1      PHE  28  13.023   0.515   5.818
  208    HD2  PHE  28           HD2      PHE  28  16.044   3.411   5.041
  209    HE1  PHE  28           HE1      PHE  28  13.853  -0.857   3.952
  210    HE2  PHE  28           HE2      PHE  28  16.878   2.044   3.173
  211    HZ   PHE  28           HZ       PHE  28  15.782  -0.093   2.626
  212    H    TYR  29           H        TYR  29  11.048   2.317   7.117
  213    HA   TYR  29           HA       TYR  29  10.323   1.178   4.593
  214    HB2  TYR  29           HB2      TYR  29  10.180   0.116   6.956
  215    HB3  TYR  29           HB3      TYR  29   8.647   0.972   7.080
  216    HD1  TYR  29           HD1      TYR  29   6.851   0.485   5.363
  217    HD2  TYR  29           HD2      TYR  29  10.339  -1.916   5.778
  218    HE1  TYR  29           HE1      TYR  29   5.728  -1.344   4.163
  219    HE2  TYR  29           HE2      TYR  29   9.225  -3.752   4.578
  220    HH   TYR  29           HH       TYR  29   5.932  -3.861   4.033
  221    H    GLU  30           H        GLU  30   9.295   3.898   6.442
  222    HA   GLU  30           HA       GLU  30   6.688   4.140   5.286
  223    HB2  GLU  30           HB2      GLU  30   7.279   5.118   7.482
  224    HB3  GLU  30           HB3      GLU  30   8.374   6.231   6.674
  225    HG2  GLU  30           HG2      GLU  30   6.286   6.950   5.338
  226    HG3  GLU  30           HG3      GLU  30   5.388   6.164   6.635
  227    H    CYS  31           H        CYS  31   9.726   5.954   4.841
  228    HA   CYS  31           HA       CYS  31   8.809   7.533   2.702
  229    HB2  CYS  31           HB2      CYS  31  11.237   7.917   2.248
  230    HB3  CYS  31           HB3      CYS  31  10.775   8.194   3.924
  231    H    CYS  32           H        CYS  32  10.036   4.287   2.848
  232    HA   CYS  32           HA       CYS  32  10.817   3.947   0.175
  233    HB2  CYS  32           HB2      CYS  32  10.041   2.149   2.411
  234    HB3  CYS  32           HB3      CYS  32   9.998   1.467   0.788
  235    H    THR  33           H        THR  33   7.701   4.169   1.633
  236    HA   THR  33           HA       THR  33   6.467   3.639  -0.985
  237    HB   THR  33           HB       THR  33   4.579   2.539   0.039
  238    HG1  THR  33           HG1      THR  33   4.220   2.626   2.136
  239   HG21  THR  33          HG21      THR  33   6.858   1.324  -0.383
  240   HG22  THR  33          HG22      THR  33   5.556   0.488   0.464
  241   HG23  THR  33          HG23      THR  33   6.890   1.195   1.375
  242    H    SER  34           H        SER  34   7.243   6.073   0.678
  243    HA   SER  34           HA       SER  34   4.636   7.415   0.458
  244    HB2  SER  34           HB2      SER  34   5.104   7.006   2.844
  245    HB3  SER  34           HB3      SER  34   6.646   7.848   2.683
  246    HG   SER  34           HG       SER  34   4.872   9.145   3.507
  247    H    ASP  35           H        ASP  35   4.959   8.608  -1.327
  248    HA   ASP  35           HA       ASP  35   7.434   9.740  -2.091
  249    HB2  ASP  35           HB2      ASP  35   6.162  10.921  -3.802
  250    HB3  ASP  35           HB3      ASP  35   5.612   9.252  -3.686
  251    H    SER  36           H        SER  36   4.726  10.937  -0.213
  252    HA   SER  36           HA       SER  36   5.510  13.665  -0.199
  253    HB2  SER  36           HB2      SER  36   3.211  12.756   0.368
  254    HB3  SER  36           HB3      SER  36   3.877  12.270   1.927
  255    HG   SER  36           HG       SER  36   3.385  14.233   2.492
  256    H    THR  37           H        THR  37   5.931  11.031   2.152
  257    HA   THR  37           HA       THR  37   7.312  12.489   4.097
  258    HB   THR  37           HB       THR  37   7.570   9.552   3.420
  259    HG1  THR  37           HG1      THR  37   6.122  10.546   5.611
  260   HG21  THR  37          HG21      THR  37   8.267   9.392   5.843
  261   HG22  THR  37          HG22      THR  37   8.456  11.146   5.821
  262   HG23  THR  37          HG23      THR  37   9.444  10.139   4.763
  263    H    PHE  38           H        PHE  38   8.358  11.197   1.056
  264    HA   PHE  38           HA       PHE  38  11.138  11.111   1.561
  265    HB2  PHE  38           HB2      PHE  38   9.799  10.103  -0.409
  266    HB3  PHE  38           HB3      PHE  38   9.956  11.695  -1.143
  267    HD1  PHE  38           HD1      PHE  38  12.117   9.172   0.560
  268    HD2  PHE  38           HD2      PHE  38  11.699  11.999  -2.594
  269    HE1  PHE  38           HE1      PHE  38  14.347   8.558  -0.281
  270    HE2  PHE  38           HE2      PHE  38  13.927  11.389  -3.442
  271    HZ   PHE  38           HZ       PHE  38  15.253   9.666  -2.285
  272    H    LYS  39           H        LYS  39   8.958  13.667   0.571
  273    HA   LYS  39           HA       LYS  39  10.753  15.559  -0.370
  274    HB2  LYS  39           HB2      LYS  39   8.158  15.848   1.134
  275    HB3  LYS  39           HB3      LYS  39   9.054  17.241   0.543
  276    HG2  LYS  39           HG2      LYS  39   8.942  16.148  -1.748
  277    HG3  LYS  39           HG3      LYS  39   7.746  15.056  -1.045
  278    HD2  LYS  39           HD2      LYS  39   6.479  16.774  -2.014
  279    HD3  LYS  39           HD3      LYS  39   6.520  17.172  -0.294
  280    HE2  LYS  39           HE2      LYS  39   6.913  19.172  -1.574
  281    HE3  LYS  39           HE3      LYS  39   8.402  18.718  -0.744
  282    HZ1  LYS  39           HZ1      LYS  39   8.558  17.450  -3.156
  283    HZ2  LYS  39           HZ2      LYS  39   9.366  18.872  -2.725
  284    HZ3  LYS  39           HZ3      LYS  39   7.888  18.955  -3.544
  285    H    LYS  40           H        LYS  40   9.561  15.177   2.969
  286    HA   LYS  40           HA       LYS  40  11.107  17.170   4.145
  287    HB2  LYS  40           HB2      LYS  40   9.817  14.667   5.152
  288    HB3  LYS  40           HB3      LYS  40  10.910  15.546   6.214
  289    HG2  LYS  40           HG2      LYS  40   8.661  16.245   6.651
  290    HG3  LYS  40           HG3      LYS  40   9.533  17.575   5.883
  291    HD2  LYS  40           HD2      LYS  40   8.520  16.998   3.732
  292    HD3  LYS  40           HD3      LYS  40   7.658  15.659   4.494
  293    HE2  LYS  40           HE2      LYS  40   7.347  18.574   5.207
  294    HE3  LYS  40           HE3      LYS  40   6.237  17.647   4.199
  295    HZ1  LYS  40           HZ1      LYS  40   5.248  17.533   6.255
  296    HZ2  LYS  40           HZ2      LYS  40   6.714  17.450   7.095
  297    HZ3  LYS  40           HZ3      LYS  40   6.145  16.099   6.250
  298    H    CYS  41           H        CYS  41  11.895  13.823   3.392
  299    HA   CYS  41           HA       CYS  41  14.381  13.790   4.779
  300    HB2  CYS  41           HB2      CYS  41  13.319  11.694   4.318
  301    HB3  CYS  41           HB3      CYS  41  13.246  12.043   2.593
  302    H    GLN  42           H        GLN  42  13.398  14.587   1.501
  303    HA   GLN  42           HA       GLN  42  15.907  14.644   0.276
  304    HB2  GLN  42           HB2      GLN  42  13.336  16.109  -0.246
  305    HB3  GLN  42           HB3      GLN  42  14.770  16.435  -1.211
  306    HG2  GLN  42           HG2      GLN  42  13.318  13.816  -0.937
  307    HG3  GLN  42           HG3      GLN  42  13.409  14.848  -2.363
  308   HE21  GLN  42          HE21      GLN  42  15.024  12.499  -0.417
  309   HE22  GLN  42          HE22      GLN  42  16.360  12.227  -1.476
  310    H    ASP  43           H        ASP  43  14.294  16.986   2.321
  311    HA   ASP  43           HA       ASP  43  16.075  19.144   1.795
  312    HB2  ASP  43           HB2      ASP  43  13.764  19.384   2.742
  313    HB3  ASP  43           HB3      ASP  43  14.371  18.720   4.256
  314    H    LEU  44           H        LEU  44  15.912  16.640   4.287
  315    HA   LEU  44           HA       LEU  44  17.933  17.555   5.966
  316    HB2  LEU  44           HB2      LEU  44  17.315  14.679   5.314
  317    HB3  LEU  44           HB3      LEU  44  18.114  15.284   6.764
  318    HG   LEU  44           HG       LEU  44  15.222  15.648   5.994
  319   HD11  LEU  44          HD11      LEU  44  16.218  14.408   8.517
  320   HD12  LEU  44          HD12      LEU  44  16.193  13.459   7.032
  321   HD13  LEU  44          HD13      LEU  44  14.698  14.153   7.659
  322   HD21  LEU  44          HD21      LEU  44  15.065  16.742   8.252
  323   HD22  LEU  44          HD22      LEU  44  15.889  17.687   7.011
  324   HD23  LEU  44          HD23      LEU  44  16.825  16.842   8.245
  325    H    LEU  45           H        LEU  45  18.183  15.266   3.247
  326    HA   LEU  45           HA       LEU  45  21.012  15.057   3.393
  327    HB2  LEU  45           HB2      LEU  45  19.151  14.466   1.096
  328    HB3  LEU  45           HB3      LEU  45  20.835  13.959   1.209
  329    HG   LEU  45           HG       LEU  45  18.598  13.047   3.019
  330   HD11  LEU  45          HD11      LEU  45  18.120  11.801   1.202
  331   HD12  LEU  45          HD12      LEU  45  19.477  10.832   1.777
  332   HD13  LEU  45          HD13      LEU  45  19.721  12.019   0.495
  333   HD21  LEU  45          HD21      LEU  45  20.958  11.423   3.054
  334   HD22  LEU  45          HD22      LEU  45  20.147  12.243   4.389
  335   HD23  LEU  45          HD23      LEU  45  21.375  13.091   3.447
  336    H    HIS  46           H        HIS  46  18.839  17.291   1.884
  337    HA   HIS  46           HA       HIS  46  20.655  18.337  -0.043
  338    HB2  HIS  46           HB2      HIS  46  18.216  18.615  -0.240
  339    HB3  HIS  46           HB3      HIS  46  18.216  19.625   1.203
  340    HD1  HIS  46           HD1      HIS  46  20.714  19.908  -1.617
  341    HD2  HIS  46           HD2      HIS  46  17.517  21.998   0.017
  342    HE1  HIS  46           HE1      HIS  46  20.699  22.135  -2.784
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1   1.060  -3.229   0.880
    2    HA   ALA   1           HA       ALA   1   1.067  -0.565  -0.328
    3    HB1  ALA   1           HB1      ALA   1   2.251  -0.157   1.519
    4    HB2  ALA   1           HB2      ALA   1   2.552  -1.871   1.809
    5    HB3  ALA   1           HB3      ALA   1   3.585  -0.969   0.700
    6    H    ASP   2           H        ASP   2   3.396  -0.084  -1.320
    7    HA   ASP   2           HA       ASP   2   4.122  -2.280  -3.132
    8    HB2  ASP   2           HB2      ASP   2   3.270   0.503  -3.852
    9    HB3  ASP   2           HB3      ASP   2   4.418  -0.353  -4.878
   10    H    ASN   3           H        ASN   3   6.103  -2.721  -2.324
   11    HA   ASN   3           HA       ASN   3   7.906  -0.842  -1.275
   12    HB2  ASN   3           HB2      ASN   3   7.849  -3.468  -1.134
   13    HB3  ASN   3           HB3      ASN   3   8.884  -3.367  -2.555
   14   HD21  ASN   3          HD21      ASN   3   9.540  -4.389   0.050
   15   HD22  ASN   3          HD22      ASN   3  10.851  -3.434   0.646
   16    H    LYS   4           H        LYS   4   8.716   0.811  -2.384
   17    HA   LYS   4           HA       LYS   4   9.271   0.549  -5.231
   18    HB2  LYS   4           HB2      LYS   4   9.694   2.999  -3.526
   19    HB3  LYS   4           HB3      LYS   4   9.490   2.918  -5.271
   20    HG2  LYS   4           HG2      LYS   4   7.362   2.252  -3.247
   21    HG3  LYS   4           HG3      LYS   4   7.502   3.781  -4.118
   22    HD2  LYS   4           HD2      LYS   4   7.268   1.131  -5.524
   23    HD3  LYS   4           HD3      LYS   4   5.859   2.085  -5.054
   24    HE2  LYS   4           HE2      LYS   4   7.181   4.001  -6.299
   25    HE3  LYS   4           HE3      LYS   4   7.932   2.633  -7.120
   26    HZ1  LYS   4           HZ1      LYS   4   6.150   2.456  -8.395
   27    HZ2  LYS   4           HZ2      LYS   4   5.441   3.785  -7.626
   28    HZ3  LYS   4           HZ3      LYS   4   5.159   2.222  -7.044
   29    H    CYS   5           H        CYS   5  10.947   0.768  -2.186
   30    HA   CYS   5           HA       CYS   5  13.501   1.472  -3.150
   31    HB2  CYS   5           HB2      CYS   5  12.549   0.053  -0.672
   32    HB3  CYS   5           HB3      CYS   5  14.264   0.296  -0.987
   33    H    GLU   6           H        GLU   6  11.762  -1.538  -3.070
   34    HA   GLU   6           HA       GLU   6  13.874  -3.351  -3.303
   35    HB2  GLU   6           HB2      GLU   6  11.278  -3.701  -3.045
   36    HB3  GLU   6           HB3      GLU   6  11.324  -3.800  -4.799
   37    HG2  GLU   6           HG2      GLU   6  13.167  -5.550  -4.450
   38    HG3  GLU   6           HG3      GLU   6  12.597  -5.607  -2.783
   39    H    ASN   7           H        ASN   7  12.283  -1.344  -5.704
   40    HA   ASN   7           HA       ASN   7  13.892  -2.526  -7.840
   41    HB2  ASN   7           HB2      ASN   7  12.505  -1.012  -9.314
   42    HB3  ASN   7           HB3      ASN   7  11.599  -2.247  -8.445
   43   HD21  ASN   7          HD21      ASN   7  12.300   1.141  -8.714
   44   HD22  ASN   7          HD22      ASN   7  10.999   1.697  -7.722
   45    H    SER   8           H        SER   8  13.643   0.319  -5.879
   46    HA   SER   8           HA       SER   8  15.676   1.675  -7.515
   47    HB2  SER   8           HB2      SER   8  13.553   2.910  -6.991
   48    HB3  SER   8           HB3      SER   8  14.003   2.858  -5.287
   49    HG   SER   8           HG       SER   8  15.455   4.089  -7.393
   50    H    LEU   9           H        LEU   9  17.629   0.985  -6.859
   51    HA   LEU   9           HA       LEU   9  18.266   0.235  -4.205
   52    HB2  LEU   9           HB2      LEU   9  20.495  -0.004  -4.957
   53    HB3  LEU   9           HB3      LEU   9  19.449  -0.506  -6.283
   54    HG   LEU   9           HG       LEU   9  19.841   2.026  -7.020
   55   HD11  LEU   9          HD11      LEU   9  22.591   1.810  -6.373
   56   HD12  LEU   9          HD12      LEU   9  21.669   1.684  -4.875
   57   HD13  LEU   9          HD13      LEU   9  21.452   3.082  -5.929
   58   HD21  LEU   9          HD21      LEU   9  21.847   1.129  -8.326
   59   HD22  LEU   9          HD22      LEU   9  20.306   0.295  -8.526
   60   HD23  LEU   9          HD23      LEU   9  21.554  -0.395  -7.488
   61    H    ARG  10           H        ARG  10  18.594   3.236  -6.011
   62    HA   ARG  10           HA       ARG  10  20.202   4.596  -4.117
   63    HB2  ARG  10           HB2      ARG  10  18.565   5.362  -6.478
   64    HB3  ARG  10           HB3      ARG  10  18.973   6.635  -5.335
   65    HG2  ARG  10           HG2      ARG  10  21.370   5.989  -5.586
   66    HG3  ARG  10           HG3      ARG  10  20.876   4.886  -6.872
   67    HD2  ARG  10           HD2      ARG  10  19.758   6.946  -7.926
   68    HD3  ARG  10           HD3      ARG  10  20.750   7.882  -6.808
   69    HE   ARG  10           HE       ARG  10  22.549   6.266  -8.008
   70   HH11  ARG  10          HH11      ARG  10  20.084   8.402  -9.224
   71   HH12  ARG  10          HH12      ARG  10  20.943   8.774 -10.682
   72   HH21  ARG  10          HH21      ARG  10  23.689   6.748  -9.924
   73   HH22  ARG  10          HH22      ARG  10  22.993   7.832 -11.079
   74    H    ARG  11           H        ARG  11  16.762   4.076  -4.424
   75    HA   ARG  11           HA       ARG  11  15.906   6.091  -2.633
   76    HB2  ARG  11           HB2      ARG  11  14.522   4.715  -4.319
   77    HB3  ARG  11           HB3      ARG  11  14.455   3.492  -3.058
   78    HG2  ARG  11           HG2      ARG  11  12.471   4.741  -2.869
   79    HG3  ARG  11           HG3      ARG  11  13.510   5.277  -1.546
   80    HD2  ARG  11           HD2      ARG  11  12.700   7.274  -2.398
   81    HD3  ARG  11           HD3      ARG  11  14.262   7.116  -3.200
   82    HE   ARG  11           HE       ARG  11  12.050   6.022  -4.688
   83   HH11  ARG  11          HH11      ARG  11  13.953   8.860  -4.018
   84   HH12  ARG  11          HH12      ARG  11  13.562   9.635  -5.518
   85   HH21  ARG  11          HH21      ARG  11  11.529   7.032  -6.666
   86   HH22  ARG  11          HH22      ARG  11  12.183   8.595  -7.023
   87    H    GLU  12           H        GLU  12  16.922   2.750  -2.197
   88    HA   GLU  12           HA       GLU  12  16.137   2.535   0.523
   89    HB2  GLU  12           HB2      GLU  12  16.479   0.520  -0.711
   90    HB3  GLU  12           HB3      GLU  12  18.113   0.994  -1.155
   91    HG2  GLU  12           HG2      GLU  12  18.989   0.371   0.837
   92    HG3  GLU  12           HG3      GLU  12  17.523   0.764   1.732
   93    H    ILE  13           H        ILE  13  19.306   3.098  -1.003
   94    HA   ILE  13           HA       ILE  13  20.805   3.390   1.322
   95    HB   ILE  13           HB       ILE  13  21.225   4.823  -1.303
   96   HG12  ILE  13          HG12      ILE  13  22.495   2.250  -0.362
   97   HG13  ILE  13          HG13      ILE  13  21.053   2.291  -1.371
   98   HG21  ILE  13          HG21      ILE  13  22.604   5.897   0.248
   99   HG22  ILE  13          HG22      ILE  13  22.974   4.396   1.095
  100   HG23  ILE  13          HG23      ILE  13  23.655   4.697  -0.503
  101   HD11  ILE  13          HD11      ILE  13  22.525   2.163  -3.049
  102   HD12  ILE  13          HD12      ILE  13  22.715   3.895  -2.779
  103   HD13  ILE  13          HD13      ILE  13  23.858   2.760  -2.062
  104    H    ALA  14           H        ALA  14  18.837   5.731  -0.421
  105    HA   ALA  14           HA       ALA  14  19.679   8.006   1.061
  106    HB1  ALA  14           HB1      ALA  14  18.728   8.660  -0.906
  107    HB2  ALA  14           HB2      ALA  14  17.487   7.408  -0.853
  108    HB3  ALA  14           HB3      ALA  14  17.336   8.841   0.163
  109    H    CYS  15           H        CYS  15  16.876   5.840   1.312
  110    HA   CYS  15           HA       CYS  15  15.615   7.173   3.444
  111    HB2  CYS  15           HB2      CYS  15  15.428   4.478   2.205
  112    HB3  CYS  15           HB3      CYS  15  14.760   4.660   3.824
  113    H    GLY  16           H        GLY  16  18.026   4.587   3.372
  114    HA2  GLY  16           HA2      GLY  16  18.049   3.847   6.039
  115    HA3  GLY  16           HA3      GLY  16  19.463   3.829   4.995
  116    H    GLN  17           H        GLN  17  19.769   6.548   4.510
  117    HA   GLN  17           HA       GLN  17  21.171   7.359   6.817
  118    HB2  GLN  17           HB2      GLN  17  20.330   8.928   4.375
  119    HB3  GLN  17           HB3      GLN  17  21.432   9.530   5.606
  120    HG2  GLN  17           HG2      GLN  17  22.843   7.464   5.099
  121    HG3  GLN  17           HG3      GLN  17  21.850   7.300   3.652
  122   HE21  GLN  17          HE21      GLN  17  23.495   7.695   2.223
  123   HE22  GLN  17          HE22      GLN  17  24.245   9.241   2.049
  124    H    CYS  18           H        CYS  18  18.242   8.744   5.323
  125    HA   CYS  18           HA       CYS  18  17.693  10.623   7.304
  126    HB2  CYS  18           HB2      CYS  18  16.158   9.311   5.140
  127    HB3  CYS  18           HB3      CYS  18  15.202  10.022   6.436
  128    H    ARG  19           H        ARG  19  17.021   7.196   7.170
  129    HA   ARG  19           HA       ARG  19  15.090   7.000   9.177
  130    HB2  ARG  19           HB2      ARG  19  15.651   5.127   7.723
  131    HB3  ARG  19           HB3      ARG  19  17.264   5.042   8.419
  132    HG2  ARG  19           HG2      ARG  19  16.116   4.603  10.642
  133    HG3  ARG  19           HG3      ARG  19  14.643   4.351   9.704
  134    HD2  ARG  19           HD2      ARG  19  15.327   2.220   9.581
  135    HD3  ARG  19           HD3      ARG  19  16.435   2.813   8.345
  136    HE   ARG  19           HE       ARG  19  18.173   2.441   9.782
  137   HH11  ARG  19          HH11      ARG  19  15.195   2.459  11.586
  138   HH12  ARG  19          HH12      ARG  19  15.936   1.944  13.065
  139   HH21  ARG  19          HH21      ARG  19  19.160   1.762  11.723
  140   HH22  ARG  19          HH22      ARG  19  18.191   1.549  13.142
  141    H    ASP  20           H        ASP  20  18.596   7.213   9.367
  142    HA   ASP  20           HA       ASP  20  18.640   6.782  12.222
  143    HB2  ASP  20           HB2      ASP  20  20.494   6.165  10.551
  144    HB3  ASP  20           HB3      ASP  20  20.914   7.875  10.577
  145    H    LYS  21           H        LYS  21  19.365   9.522  10.062
  146    HA   LYS  21           HA       LYS  21  19.841  11.439  12.016
  147    HB2  LYS  21           HB2      LYS  21  18.875  11.567   9.184
  148    HB3  LYS  21           HB3      LYS  21  18.898  13.032  10.157
  149    HG2  LYS  21           HG2      LYS  21  21.344  11.330   9.973
  150    HG3  LYS  21           HG3      LYS  21  20.932  12.440   8.664
  151    HD2  LYS  21           HD2      LYS  21  20.929  14.309  10.214
  152    HD3  LYS  21           HD3      LYS  21  21.245  13.217  11.564
  153    HE2  LYS  21           HE2      LYS  21  23.431  12.868  10.945
  154    HE3  LYS  21           HE3      LYS  21  23.119  13.223   9.247
  155    HZ1  LYS  21           HZ1      LYS  21  24.101  15.158   9.753
  156    HZ2  LYS  21           HZ2      LYS  21  23.806  15.016  11.413
  157    HZ3  LYS  21           HZ3      LYS  21  22.589  15.582  10.383
  158    H    VAL  22           H        VAL  22  16.790  10.910  10.239
  159    HA   VAL  22           HA       VAL  22  15.218  12.692  11.680
  160    HB   VAL  22           HB       VAL  22  14.354  10.093  10.404
  161   HG11  VAL  22          HG11      VAL  22  12.892  12.203  11.810
  162   HG12  VAL  22          HG12      VAL  22  12.244  11.813  10.216
  163   HG13  VAL  22          HG13      VAL  22  12.415  10.547  11.433
  164   HG21  VAL  22          HG21      VAL  22  13.985  11.284   8.417
  165   HG22  VAL  22          HG22      VAL  22  14.136  12.846   9.221
  166   HG23  VAL  22          HG23      VAL  22  15.562  11.837   8.980
  167    H    LYS  23           H        LYS  23  16.383   9.551  12.544
  168    HA   LYS  23           HA       LYS  23  16.149   8.254  14.399
  169    HB2  LYS  23           HB2      LYS  23  15.616  11.008  15.478
  170    HB3  LYS  23           HB3      LYS  23  15.536   9.599  16.528
  171    HG2  LYS  23           HG2      LYS  23  17.937  10.396  14.894
  172    HG3  LYS  23           HG3      LYS  23  17.712  10.743  16.610
  173    HD2  LYS  23           HD2      LYS  23  17.473   8.264  16.970
  174    HD3  LYS  23           HD3      LYS  23  17.979   8.046  15.293
  175    HE2  LYS  23           HE2      LYS  23  20.054   9.328  15.838
  176    HE3  LYS  23           HE3      LYS  23  19.555   9.312  17.529
  177    HZ1  LYS  23           HZ1      LYS  23  21.158   7.515  16.746
  178    HZ2  LYS  23           HZ2      LYS  23  19.823   6.807  15.987
  179    HZ3  LYS  23           HZ3      LYS  23  19.827   7.020  17.665
  180    H    THR  24           H        THR  24  14.083   7.839  12.821
  181    HA   THR  24           HA       THR  24  11.819   7.630  14.680
  182    HB   THR  24           HB       THR  24  11.597   8.461  11.781
  183    HG1  THR  24           HG1      THR  24  11.010   9.829  14.214
  184   HG21  THR  24          HG21      THR  24   9.703   7.214  13.595
  185   HG22  THR  24          HG22      THR  24   9.573   7.514  11.861
  186   HG23  THR  24          HG23      THR  24   9.132   8.776  13.011
  187    H    ASP  25           H        ASP  25  11.420   5.546  14.974
  188    HA   ASP  25           HA       ASP  25  12.411   3.487  13.328
  189    HB2  ASP  25           HB2      ASP  25  10.201   3.402  15.393
  190    HB3  ASP  25           HB3      ASP  25  10.992   1.991  14.696
  191    H    GLY  26           H        GLY  26  11.604   2.477  11.587
  192    HA2  GLY  26           HA2      GLY  26   9.938   1.655  10.150
  193    HA3  GLY  26           HA3      GLY  26   8.761   2.670  10.970
  194    H    TYR  27           H        TYR  27  10.951   4.869  10.606
  195    HA   TYR  27           HA       TYR  27   9.747   6.262   8.547
  196    HB2  TYR  27           HB2      TYR  27  11.346   7.176  10.269
  197    HB3  TYR  27           HB3      TYR  27  12.661   6.518   9.302
  198    HD1  TYR  27           HD1      TYR  27  10.043   9.082   9.470
  199    HD2  TYR  27           HD2      TYR  27  13.298   7.540   7.205
  200    HE1  TYR  27           HE1      TYR  27  10.061  11.132   8.112
  201    HE2  TYR  27           HE2      TYR  27  13.326   9.587   5.841
  202    HH   TYR  27           HH       TYR  27  12.043  12.359   6.660
  203    H    PHE  28           H        PHE  28  12.642   4.212   8.415
  204    HA   PHE  28           HA       PHE  28  13.355   4.618   5.769
  205    HB2  PHE  28           HB2      PHE  28  14.815   3.383   7.216
  206    HB3  PHE  28           HB3      PHE  28  13.589   2.151   7.496
  207    HD1  PHE  28           HD1      PHE  28  13.084   0.487   5.794
  208    HD2  PHE  28           HD2      PHE  28  16.133   3.400   5.210
  209    HE1  PHE  28           HE1      PHE  28  13.985  -0.835   3.924
  210    HE2  PHE  28           HE2      PHE  28  17.037   2.083   3.339
  211    HZ   PHE  28           HZ       PHE  28  15.964  -0.038   2.694
  212    H    TYR  29           H        TYR  29  11.056   2.279   7.117
  213    HA   TYR  29           HA       TYR  29  10.392   1.160   4.568
  214    HB2  TYR  29           HB2      TYR  29  10.185   0.037   6.865
  215    HB3  TYR  29           HB3      TYR  29   8.701   0.965   7.055
  216    HD1  TYR  29           HD1      TYR  29   6.788   0.559   5.519
  217    HD2  TYR  29           HD2      TYR  29  10.263  -1.896   5.474
  218    HE1  TYR  29           HE1      TYR  29   5.544  -1.170   4.290
  219    HE2  TYR  29           HE2      TYR  29   9.028  -3.631   4.243
  220    HH   TYR  29           HH       TYR  29   5.935  -3.940   4.109
  221    H    GLU  30           H        GLU  30   9.294   3.849   6.442
  222    HA   GLU  30           HA       GLU  30   6.738   4.125   5.197
  223    HB2  GLU  30           HB2      GLU  30   7.219   5.078   7.410
  224    HB3  GLU  30           HB3      GLU  30   8.402   6.161   6.689
  225    HG2  GLU  30           HG2      GLU  30   6.679   7.296   5.451
  226    HG3  GLU  30           HG3      GLU  30   5.468   6.150   6.022
  227    H    CYS  31           H        CYS  31   9.798   5.926   4.864
  228    HA   CYS  31           HA       CYS  31   8.951   7.533   2.714
  229    HB2  CYS  31           HB2      CYS  31  11.374   7.951   2.355
  230    HB3  CYS  31           HB3      CYS  31  10.884   8.151   4.035
  231    H    CYS  32           H        CYS  32  10.170   4.283   2.867
  232    HA   CYS  32           HA       CYS  32  10.997   3.999   0.186
  233    HB2  CYS  32           HB2      CYS  32  10.308   2.160   2.417
  234    HB3  CYS  32           HB3      CYS  32  10.284   1.485   0.791
  235    H    THR  33           H        THR  33   7.879   4.046   1.675
  236    HA   THR  33           HA       THR  33   6.655   3.415  -0.930
  237    HB   THR  33           HB       THR  33   4.717   2.460   0.262
  238    HG1  THR  33           HG1      THR  33   6.277   2.392   2.618
  239   HG21  THR  33          HG21      THR  33   5.863   0.603  -0.257
  240   HG22  THR  33          HG22      THR  33   6.351   0.579   1.438
  241   HG23  THR  33          HG23      THR  33   7.401   1.316   0.228
  242    H    SER  34           H        SER  34   7.406   5.957   0.576
  243    HA   SER  34           HA       SER  34   4.793   7.260   0.255
  244    HB2  SER  34           HB2      SER  34   6.745   7.723   2.521
  245    HB3  SER  34           HB3      SER  34   5.336   8.732   2.195
  246    HG   SER  34           HG       SER  34   5.249   5.945   2.726
  247    H    ASP  35           H        ASP  35   5.157   8.341  -1.596
  248    HA   ASP  35           HA       ASP  35   7.637   9.465  -2.354
  249    HB2  ASP  35           HB2      ASP  35   6.442  10.463  -4.194
  250    HB3  ASP  35           HB3      ASP  35   5.802   8.843  -3.933
  251    H    SER  36           H        SER  36   4.907  10.690  -0.553
  252    HA   SER  36           HA       SER  36   5.688  13.440  -0.687
  253    HB2  SER  36           HB2      SER  36   3.934  13.826   0.948
  254    HB3  SER  36           HB3      SER  36   3.344  12.702  -0.276
  255    HG   SER  36           HG       SER  36   2.976  11.372   1.293
  256    H    THR  37           H        THR  37   6.000  10.869   1.733
  257    HA   THR  37           HA       THR  37   7.183  12.383   3.764
  258    HB   THR  37           HB       THR  37   7.687   9.465   3.152
  259    HG1  THR  37           HG1      THR  37   5.411  10.367   3.532
  260   HG21  THR  37          HG21      THR  37   7.708   9.800   5.880
  261   HG22  THR  37          HG22      THR  37   8.523  11.254   5.305
  262   HG23  THR  37          HG23      THR  37   9.135   9.663   4.854
  263    H    PHE  38           H        PHE  38   8.497  11.087   0.823
  264    HA   PHE  38           HA       PHE  38  11.238  11.176   1.553
  265    HB2  PHE  38           HB2      PHE  38  10.062   9.996  -0.462
  266    HB3  PHE  38           HB3      PHE  38  10.308  11.539  -1.275
  267    HD1  PHE  38           HD1      PHE  38  11.990   8.660   0.274
  268    HD2  PHE  38           HD2      PHE  38  12.466  12.223  -2.005
  269    HE1  PHE  38           HE1      PHE  38  14.293   7.994  -0.278
  270    HE2  PHE  38           HE2      PHE  38  14.770  11.562  -2.562
  271    HZ   PHE  38           HZ       PHE  38  15.686   9.445  -1.699
  272    H    LYS  39           H        LYS  39   8.982  13.527   0.292
  273    HA   LYS  39           HA       LYS  39  10.668  15.471  -0.706
  274    HB2  LYS  39           HB2      LYS  39   8.124  15.843   0.885
  275    HB3  LYS  39           HB3      LYS  39   8.902  17.100  -0.069
  276    HG2  LYS  39           HG2      LYS  39   8.639  15.547  -2.058
  277    HG3  LYS  39           HG3      LYS  39   7.566  14.591  -1.032
  278    HD2  LYS  39           HD2      LYS  39   6.089  15.997  -2.137
  279    HD3  LYS  39           HD3      LYS  39   6.361  16.849  -0.615
  280    HE2  LYS  39           HE2      LYS  39   8.167  18.147  -1.812
  281    HE3  LYS  39           HE3      LYS  39   7.570  17.435  -3.309
  282    HZ1  LYS  39           HZ1      LYS  39   6.343  19.320  -3.286
  283    HZ2  LYS  39           HZ2      LYS  39   6.351  19.462  -1.601
  284    HZ3  LYS  39           HZ3      LYS  39   5.306  18.364  -2.351
  285    H    LYS  40           H        LYS  40   9.510  15.168   2.651
  286    HA   LYS  40           HA       LYS  40  10.987  17.305   3.699
  287    HB2  LYS  40           HB2      LYS  40   9.723  14.860   4.875
  288    HB3  LYS  40           HB3      LYS  40  10.763  15.858   5.881
  289    HG2  LYS  40           HG2      LYS  40   8.481  16.518   6.202
  290    HG3  LYS  40           HG3      LYS  40   9.341  17.808   5.357
  291    HD2  LYS  40           HD2      LYS  40   8.285  17.349   3.330
  292    HD3  LYS  40           HD3      LYS  40   7.817  15.723   3.834
  293    HE2  LYS  40           HE2      LYS  40   6.254  16.705   5.463
  294    HE3  LYS  40           HE3      LYS  40   6.699  18.315   4.900
  295    HZ1  LYS  40           HZ1      LYS  40   5.485  18.095   3.034
  296    HZ2  LYS  40           HZ2      LYS  40   4.632  16.954   3.945
  297    HZ3  LYS  40           HZ3      LYS  40   5.822  16.447   2.855
  298    H    CYS  41           H        CYS  41  11.759  13.847   3.493
  299    HA   CYS  41           HA       CYS  41  14.201  13.913   4.847
  300    HB2  CYS  41           HB2      CYS  41  13.163  11.802   4.361
  301    HB3  CYS  41           HB3      CYS  41  13.222  12.111   2.629
  302    H    GLN  42           H        GLN  42  13.434  14.503   1.452
  303    HA   GLN  42           HA       GLN  42  15.997  14.595   0.396
  304    HB2  GLN  42           HB2      GLN  42  13.385  15.814  -0.328
  305    HB3  GLN  42           HB3      GLN  42  14.821  16.474  -1.100
  306    HG2  GLN  42           HG2      GLN  42  15.338  13.948  -1.576
  307    HG3  GLN  42           HG3      GLN  42  13.598  13.775  -1.353
  308   HE21  GLN  42          HE21      GLN  42  12.570  13.755  -3.206
  309   HE22  GLN  42          HE22      GLN  42  12.952  14.700  -4.601
  310    H    ASP  43           H        ASP  43  14.223  17.017   2.217
  311    HA   ASP  43           HA       ASP  43  16.042  19.153   1.749
  312    HB2  ASP  43           HB2      ASP  43  13.613  19.291   2.574
  313    HB3  ASP  43           HB3      ASP  43  14.261  18.908   4.166
  314    H    LEU  44           H        LEU  44  15.683  16.763   4.334
  315    HA   LEU  44           HA       LEU  44  17.609  17.766   6.090
  316    HB2  LEU  44           HB2      LEU  44  17.029  14.849   5.634
  317    HB3  LEU  44           HB3      LEU  44  17.622  15.611   7.109
  318    HG   LEU  44           HG       LEU  44  14.864  15.955   5.931
  319   HD11  LEU  44          HD11      LEU  44  15.212  14.758   8.586
  320   HD12  LEU  44          HD12      LEU  44  15.798  13.774   7.245
  321   HD13  LEU  44          HD13      LEU  44  14.121  14.318   7.272
  322   HD21  LEU  44          HD21      LEU  44  14.720  16.835   8.483
  323   HD22  LEU  44          HD22      LEU  44  14.972  17.883   7.086
  324   HD23  LEU  44          HD23      LEU  44  16.350  17.351   8.051
  325    H    LEU  45           H        LEU  45  17.956  15.289   3.553
  326    HA   LEU  45           HA       LEU  45  20.746  14.960   3.899
  327    HB2  LEU  45           HB2      LEU  45  19.097  14.425   1.433
  328    HB3  LEU  45           HB3      LEU  45  20.688  13.759   1.797
  329    HG   LEU  45           HG       LEU  45  18.174  13.175   3.360
  330   HD11  LEU  45          HD11      LEU  45  19.568  11.681   1.158
  331   HD12  LEU  45          HD12      LEU  45  17.875  12.163   1.258
  332   HD13  LEU  45          HD13      LEU  45  18.492  10.889   2.310
  333   HD21  LEU  45          HD21      LEU  45  19.894  12.812   4.855
  334   HD22  LEU  45          HD22      LEU  45  21.029  12.324   3.596
  335   HD23  LEU  45          HD23      LEU  45  19.737  11.229   4.092
  336    H    HIS  46           H        HIS  46  18.823  17.258   2.160
  337    HA   HIS  46           HA       HIS  46  21.207  18.300   0.796
  338    HB2  HIS  46           HB2      HIS  46  19.044  17.784  -0.479
  339    HB3  HIS  46           HB3      HIS  46  18.371  19.201   0.322
  340    HD1  HIS  46           HD1      HIS  46  21.413  18.378  -1.817
  341    HD2  HIS  46           HD2      HIS  46  18.732  21.469  -1.098
  342    HE1  HIS  46           HE1      HIS  46  22.028  20.193  -3.445
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1  -0.180  -1.493   0.183
    2    HA   ALA   1           HA       ALA   1   1.855   0.208  -0.439
    3    HB1  ALA   1           HB1      ALA   1   0.986  -1.196   1.929
    4    HB2  ALA   1           HB2      ALA   1   2.738  -0.996   1.909
    5    HB3  ALA   1           HB3      ALA   1   1.689   0.414   1.768
    6    H    ASP   2           H        ASP   2   3.015  -0.645  -2.223
    7    HA   ASP   2           HA       ASP   2   4.720  -2.965  -1.713
    8    HB2  ASP   2           HB2      ASP   2   4.665  -1.409  -4.284
    9    HB3  ASP   2           HB3      ASP   2   5.062  -3.106  -4.027
   10    H    ASN   3           H        ASN   3   6.923  -2.880  -1.607
   11    HA   ASN   3           HA       ASN   3   8.081  -0.329  -0.942
   12    HB2  ASN   3           HB2      ASN   3   8.919  -3.176  -0.788
   13    HB3  ASN   3           HB3      ASN   3  10.203  -1.975  -0.896
   14   HD21  ASN   3          HD21      ASN   3  10.698  -2.867   1.250
   15   HD22  ASN   3          HD22      ASN   3   9.904  -2.182   2.623
   16    H    LYS   4           H        LYS   4   8.741   1.030  -2.462
   17    HA   LYS   4           HA       LYS   4   9.414   0.140  -5.114
   18    HB2  LYS   4           HB2      LYS   4   9.301   2.821  -3.760
   19    HB3  LYS   4           HB3      LYS   4   9.995   2.649  -5.367
   20    HG2  LYS   4           HG2      LYS   4   7.994   2.409  -6.344
   21    HG3  LYS   4           HG3      LYS   4   7.361   1.406  -5.036
   22    HD2  LYS   4           HD2      LYS   4   6.619   3.213  -3.829
   23    HD3  LYS   4           HD3      LYS   4   7.821   4.305  -4.520
   24    HE2  LYS   4           HE2      LYS   4   5.730   4.959  -5.416
   25    HE3  LYS   4           HE3      LYS   4   6.575   4.101  -6.703
   26    HZ1  LYS   4           HZ1      LYS   4   4.460   3.211  -6.770
   27    HZ2  LYS   4           HZ2      LYS   4   4.277   3.209  -5.089
   28    HZ3  LYS   4           HZ3      LYS   4   5.288   2.074  -5.830
   29    H    CYS   5           H        CYS   5  11.124   0.949  -2.213
   30    HA   CYS   5           HA       CYS   5  13.623   1.655  -3.185
   31    HB2  CYS   5           HB2      CYS   5  12.831   0.115  -0.712
   32    HB3  CYS   5           HB3      CYS   5  14.488   0.616  -1.033
   33    H    GLU   6           H        GLU   6  12.066  -1.455  -3.083
   34    HA   GLU   6           HA       GLU   6  14.347  -3.084  -3.402
   35    HB2  GLU   6           HB2      GLU   6  11.418  -3.419  -3.827
   36    HB3  GLU   6           HB3      GLU   6  12.492  -4.597  -4.568
   37    HG2  GLU   6           HG2      GLU   6  12.464  -3.900  -1.641
   38    HG3  GLU   6           HG3      GLU   6  11.650  -5.290  -2.359
   39    H    ASN   7           H        ASN   7  12.503  -1.153  -5.619
   40    HA   ASN   7           HA       ASN   7  13.775  -2.380  -7.941
   41    HB2  ASN   7           HB2      ASN   7  11.699  -0.188  -7.732
   42    HB3  ASN   7           HB3      ASN   7  12.317  -0.843  -9.245
   43   HD21  ASN   7          HD21      ASN   7   9.675  -0.915  -8.838
   44   HD22  ASN   7          HD22      ASN   7   9.143  -2.528  -8.521
   45    H    SER   8           H        SER   8  13.903   0.504  -5.991
   46    HA   SER   8           HA       SER   8  15.982   1.595  -7.771
   47    HB2  SER   8           HB2      SER   8  13.982   3.044  -7.494
   48    HB3  SER   8           HB3      SER   8  14.288   3.094  -5.758
   49    HG   SER   8           HG       SER   8  15.221   4.757  -7.455
   50    H    LEU   9           H        LEU   9  17.961   1.241  -7.035
   51    HA   LEU   9           HA       LEU   9  18.536   0.482  -4.365
   52    HB2  LEU   9           HB2      LEU   9  20.789   0.360  -5.029
   53    HB3  LEU   9           HB3      LEU   9  19.840  -0.131  -6.430
   54    HG   LEU   9           HG       LEU   9  20.148   2.439  -7.050
   55   HD11  LEU   9          HD11      LEU   9  21.510   3.477  -5.625
   56   HD12  LEU   9          HD12      LEU   9  22.810   2.542  -6.362
   57   HD13  LEU   9          HD13      LEU   9  22.034   1.963  -4.888
   58   HD21  LEU   9          HD21      LEU   9  20.845   0.985  -8.665
   59   HD22  LEU   9          HD22      LEU   9  21.826   0.035  -7.548
   60   HD23  LEU   9          HD23      LEU   9  22.408   1.598  -8.125
   61    H    ARG  10           H        ARG  10  18.728   3.522  -6.121
   62    HA   ARG  10           HA       ARG  10  20.182   4.963  -4.170
   63    HB2  ARG  10           HB2      ARG  10  18.504   5.674  -6.530
   64    HB3  ARG  10           HB3      ARG  10  18.881   6.941  -5.371
   65    HG2  ARG  10           HG2      ARG  10  21.278   6.473  -5.673
   66    HG3  ARG  10           HG3      ARG  10  20.866   5.258  -6.885
   67    HD2  ARG  10           HD2      ARG  10  21.374   7.164  -8.136
   68    HD3  ARG  10           HD3      ARG  10  19.612   7.145  -8.076
   69    HE   ARG  10           HE       ARG  10  20.630   8.684  -5.942
   70   HH11  ARG  10          HH11      ARG  10  20.214   8.765  -9.398
   71   HH12  ARG  10          HH12      ARG  10  20.122  10.493  -9.477
   72   HH21  ARG  10          HH21      ARG  10  20.512  10.960  -6.034
   73   HH22  ARG  10          HH22      ARG  10  20.293  11.741  -7.564
   74    H    ARG  11           H        ARG  11  16.764   4.304  -4.625
   75    HA   ARG  11           HA       ARG  11  15.749   6.188  -2.795
   76    HB2  ARG  11           HB2      ARG  11  14.475   4.808  -4.534
   77    HB3  ARG  11           HB3      ARG  11  14.499   3.505  -3.353
   78    HG2  ARG  11           HG2      ARG  11  12.439   4.509  -3.013
   79    HG3  ARG  11           HG3      ARG  11  13.449   5.217  -1.750
   80    HD2  ARG  11           HD2      ARG  11  12.228   7.005  -2.700
   81    HD3  ARG  11           HD3      ARG  11  13.869   7.137  -3.332
   82    HE   ARG  11           HE       ARG  11  12.580   5.687  -5.224
   83   HH11  ARG  11          HH11      ARG  11  11.928   8.731  -3.665
   84   HH12  ARG  11          HH12      ARG  11  11.106   9.405  -5.034
   85   HH21  ARG  11          HH21      ARG  11  11.501   6.563  -7.032
   86   HH22  ARG  11          HH22      ARG  11  10.863   8.170  -6.948
   87    H    GLU  12           H        GLU  12  16.967   2.912  -2.395
   88    HA   GLU  12           HA       GLU  12  16.138   2.624   0.314
   89    HB2  GLU  12           HB2      GLU  12  16.556   0.636  -0.940
   90    HB3  GLU  12           HB3      GLU  12  18.177   1.168  -1.364
   91    HG2  GLU  12           HG2      GLU  12  18.961   0.838   0.846
   92    HG3  GLU  12           HG3      GLU  12  17.325   0.608   1.461
   93    H    ILE  13           H        ILE  13  19.300   3.308  -1.177
   94    HA   ILE  13           HA       ILE  13  20.770   3.619   1.164
   95    HB   ILE  13           HB       ILE  13  21.156   5.086  -1.448
   96   HG12  ILE  13          HG12      ILE  13  22.484   2.550  -0.477
   97   HG13  ILE  13          HG13      ILE  13  21.103   2.571  -1.568
   98   HG21  ILE  13          HG21      ILE  13  23.630   4.744  -0.356
   99   HG22  ILE  13          HG22      ILE  13  22.676   6.222  -0.257
  100   HG23  ILE  13          HG23      ILE  13  22.645   5.063   1.071
  101   HD11  ILE  13          HD11      ILE  13  22.664   4.148  -2.974
  102   HD12  ILE  13          HD12      ILE  13  23.929   3.318  -2.067
  103   HD13  ILE  13          HD13      ILE  13  22.806   2.393  -3.064
  104    H    ALA  14           H        ALA  14  18.701   5.895  -0.538
  105    HA   ALA  14           HA       ALA  14  19.466   8.194   0.948
  106    HB1  ALA  14           HB1      ALA  14  17.110   8.969   0.089
  107    HB2  ALA  14           HB2      ALA  14  18.462   8.780  -1.028
  108    HB3  ALA  14           HB3      ALA  14  17.236   7.518  -0.907
  109    H    CYS  15           H        CYS  15  16.916   5.779   1.312
  110    HA   CYS  15           HA       CYS  15  15.629   7.099   3.492
  111    HB2  CYS  15           HB2      CYS  15  15.397   4.456   2.142
  112    HB3  CYS  15           HB3      CYS  15  14.759   4.588   3.778
  113    H    GLY  16           H        GLY  16  18.076   4.576   3.201
  114    HA2  GLY  16           HA2      GLY  16  18.169   3.671   5.824
  115    HA3  GLY  16           HA3      GLY  16  19.550   3.720   4.738
  116    H    GLN  17           H        GLN  17  19.824   6.465   4.393
  117    HA   GLN  17           HA       GLN  17  21.267   7.155   6.727
  118    HB2  GLN  17           HB2      GLN  17  20.502   8.679   4.247
  119    HB3  GLN  17           HB3      GLN  17  21.389   9.442   5.560
  120    HG2  GLN  17           HG2      GLN  17  22.975   7.371   5.259
  121    HG3  GLN  17           HG3      GLN  17  22.262   7.343   3.647
  122   HE21  GLN  17          HE21      GLN  17  24.002   7.989   2.495
  123   HE22  GLN  17          HE22      GLN  17  24.751   9.537   2.656
  124    H    CYS  18           H        CYS  18  18.335   8.596   5.296
  125    HA   CYS  18           HA       CYS  18  17.809  10.427   7.327
  126    HB2  CYS  18           HB2      CYS  18  16.226   9.147   5.169
  127    HB3  CYS  18           HB3      CYS  18  15.312   9.883   6.481
  128    H    ARG  19           H        ARG  19  17.133   7.004   7.120
  129    HA   ARG  19           HA       ARG  19  15.222   6.757   9.137
  130    HB2  ARG  19           HB2      ARG  19  15.679   4.883   7.727
  131    HB3  ARG  19           HB3      ARG  19  17.374   4.865   8.196
  132    HG2  ARG  19           HG2      ARG  19  16.709   4.237  10.482
  133    HG3  ARG  19           HG3      ARG  19  15.026   4.190   9.955
  134    HD2  ARG  19           HD2      ARG  19  15.280   2.218   8.893
  135    HD3  ARG  19           HD3      ARG  19  16.895   2.624   8.313
  136    HE   ARG  19           HE       ARG  19  16.832   2.122  11.127
  137   HH11  ARG  19          HH11      ARG  19  16.964   0.614   7.992
  138   HH12  ARG  19          HH12      ARG  19  17.741  -0.822   8.572
  139   HH21  ARG  19          HH21      ARG  19  17.854   0.236  11.902
  140   HH22  ARG  19          HH22      ARG  19  18.245  -1.037  10.796
  141    H    ASP  20           H        ASP  20  18.728   6.987   9.311
  142    HA   ASP  20           HA       ASP  20  18.792   6.498  12.156
  143    HB2  ASP  20           HB2      ASP  20  20.928   7.400  10.215
  144    HB3  ASP  20           HB3      ASP  20  21.217   7.073  11.921
  145    H    LYS  21           H        LYS  21  19.386   9.286  10.026
  146    HA   LYS  21           HA       LYS  21  19.905  11.174  12.013
  147    HB2  LYS  21           HB2      LYS  21  18.601  11.573   9.314
  148    HB3  LYS  21           HB3      LYS  21  19.255  12.861  10.318
  149    HG2  LYS  21           HG2      LYS  21  21.034  10.600   9.567
  150    HG3  LYS  21           HG3      LYS  21  20.647  11.821   8.353
  151    HD2  LYS  21           HD2      LYS  21  22.583  12.654   9.331
  152    HD3  LYS  21           HD3      LYS  21  21.306  13.518  10.190
  153    HE2  LYS  21           HE2      LYS  21  21.587  12.267  12.123
  154    HE3  LYS  21           HE3      LYS  21  22.366  10.937  11.268
  155    HZ1  LYS  21           HZ1      LYS  21  23.700  13.547  11.309
  156    HZ2  LYS  21           HZ2      LYS  21  24.371  11.995  11.256
  157    HZ3  LYS  21           HZ3      LYS  21  23.749  12.598  12.709
  158    H    VAL  22           H        VAL  22  16.830  10.702  10.260
  159    HA   VAL  22           HA       VAL  22  15.267  12.410  11.782
  160    HB   VAL  22           HB       VAL  22  14.361   9.826  10.505
  161   HG11  VAL  22          HG11      VAL  22  12.967  12.011  11.867
  162   HG12  VAL  22          HG12      VAL  22  12.306  11.605  10.282
  163   HG13  VAL  22          HG13      VAL  22  12.439  10.363  11.528
  164   HG21  VAL  22          HG21      VAL  22  15.487  12.098   9.304
  165   HG22  VAL  22          HG22      VAL  22  14.652  10.763   8.510
  166   HG23  VAL  22          HG23      VAL  22  13.752  12.196   9.004
  167    H    LYS  23           H        LYS  23  16.426   9.222  12.517
  168    HA   LYS  23           HA       LYS  23  16.230   7.876  14.341
  169    HB2  LYS  23           HB2      LYS  23  15.762  10.600  15.524
  170    HB3  LYS  23           HB3      LYS  23  15.712   9.157  16.528
  171    HG2  LYS  23           HG2      LYS  23  18.013   8.615  15.739
  172    HG3  LYS  23           HG3      LYS  23  18.043  10.181  14.925
  173    HD2  LYS  23           HD2      LYS  23  17.313  10.103  17.809
  174    HD3  LYS  23           HD3      LYS  23  19.007   9.869  17.368
  175    HE2  LYS  23           HE2      LYS  23  18.803  12.176  17.709
  176    HE3  LYS  23           HE3      LYS  23  18.747  11.983  15.958
  177    HZ1  LYS  23           HZ1      LYS  23  16.225  11.996  17.457
  178    HZ2  LYS  23           HZ2      LYS  23  16.539  12.510  15.877
  179    HZ3  LYS  23           HZ3      LYS  23  17.014  13.469  17.188
  180    H    THR  24           H        THR  24  14.118   7.524  12.822
  181    HA   THR  24           HA       THR  24  11.904   7.301  14.738
  182    HB   THR  24           HB       THR  24  11.610   8.212  11.869
  183    HG1  THR  24           HG1      THR  24  10.718   9.628  14.140
  184   HG21  THR  24          HG21      THR  24   9.772   6.880  13.637
  185   HG22  THR  24          HG22      THR  24   9.544   7.381  11.961
  186   HG23  THR  24          HG23      THR  24   9.199   8.507  13.273
  187    H    ASP  25           H        ASP  25  11.484   5.215  14.988
  188    HA   ASP  25           HA       ASP  25  12.399   3.185  13.267
  189    HB2  ASP  25           HB2      ASP  25  10.870   1.704  14.612
  190    HB3  ASP  25           HB3      ASP  25  12.003   2.656  15.567
  191    H    GLY  26           H        GLY  26  11.571   2.312  11.474
  192    HA2  GLY  26           HA2      GLY  26   9.844   1.524  10.072
  193    HA3  GLY  26           HA3      GLY  26   8.708   2.553  10.932
  194    H    TYR  27           H        TYR  27  10.944   4.704  10.580
  195    HA   TYR  27           HA       TYR  27   9.744   6.163   8.561
  196    HB2  TYR  27           HB2      TYR  27  11.371   7.019  10.282
  197    HB3  TYR  27           HB3      TYR  27  12.669   6.343   9.304
  198    HD1  TYR  27           HD1      TYR  27  10.070   8.940   9.471
  199    HD2  TYR  27           HD2      TYR  27  13.363   7.403   7.259
  200    HE1  TYR  27           HE1      TYR  27  10.133  11.007   8.141
  201    HE2  TYR  27           HE2      TYR  27  13.436   9.467   5.923
  202    HH   TYR  27           HH       TYR  27  11.372  12.219   6.678
  203    H    PHE  28           H        PHE  28  12.611   4.076   8.361
  204    HA   PHE  28           HA       PHE  28  13.307   4.515   5.720
  205    HB2  PHE  28           HB2      PHE  28  14.749   3.217   7.129
  206    HB3  PHE  28           HB3      PHE  28  13.499   2.006   7.390
  207    HD1  PHE  28           HD1      PHE  28  12.950   0.390   5.656
  208    HD2  PHE  28           HD2      PHE  28  16.052   3.254   5.114
  209    HE1  PHE  28           HE1      PHE  28  13.810  -0.908   3.751
  210    HE2  PHE  28           HE2      PHE  28  16.917   1.961   3.207
  211    HZ   PHE  28           HZ       PHE  28  15.797  -0.123   2.524
  212    H    TYR  29           H        TYR  29  10.969   2.195   7.034
  213    HA   TYR  29           HA       TYR  29  10.262   1.149   4.465
  214    HB2  TYR  29           HB2      TYR  29  10.051  -0.110   6.628
  215    HB3  TYR  29           HB3      TYR  29   8.700   0.937   7.045
  216    HD1  TYR  29           HD1      TYR  29   6.579   0.776   5.823
  217    HD2  TYR  29           HD2      TYR  29   9.813  -1.859   4.989
  218    HE1  TYR  29           HE1      TYR  29   5.041  -0.722   4.622
  219    HE2  TYR  29           HE2      TYR  29   8.285  -3.363   3.785
  220    HH   TYR  29           HH       TYR  29   5.870  -3.879   3.736
  221    H    GLU  30           H        GLU  30   9.240   3.819   6.406
  222    HA   GLU  30           HA       GLU  30   6.678   4.175   5.193
  223    HB2  GLU  30           HB2      GLU  30   7.304   5.064   7.440
  224    HB3  GLU  30           HB3      GLU  30   8.366   6.218   6.645
  225    HG2  GLU  30           HG2      GLU  30   6.542   7.530   6.898
  226    HG3  GLU  30           HG3      GLU  30   6.145   6.809   5.339
  227    H    CYS  31           H        CYS  31   9.771   5.917   4.866
  228    HA   CYS  31           HA       CYS  31   8.936   7.585   2.758
  229    HB2  CYS  31           HB2      CYS  31  11.372   7.950   2.379
  230    HB3  CYS  31           HB3      CYS  31  10.891   8.149   4.061
  231    H    CYS  32           H        CYS  32  10.092   4.310   2.834
  232    HA   CYS  32           HA       CYS  32  10.881   4.069   0.134
  233    HB2  CYS  32           HB2      CYS  32  10.202   2.192   2.338
  234    HB3  CYS  32           HB3      CYS  32  10.158   1.552   0.698
  235    H    THR  33           H        THR  33   7.790   4.127   1.674
  236    HA   THR  33           HA       THR  33   6.515   3.544  -0.918
  237    HB   THR  33           HB       THR  33   4.682   2.455   0.148
  238    HG1  THR  33           HG1      THR  33   5.825   3.522   2.493
  239   HG21  THR  33          HG21      THR  33   5.793   0.572   1.332
  240   HG22  THR  33          HG22      THR  33   7.289   1.507   1.341
  241   HG23  THR  33          HG23      THR  33   6.576   0.997  -0.189
  242    H    SER  34           H        SER  34   7.331   6.061   0.596
  243    HA   SER  34           HA       SER  34   4.735   7.409   0.326
  244    HB2  SER  34           HB2      SER  34   5.158   7.123   2.724
  245    HB3  SER  34           HB3      SER  34   6.737   7.887   2.548
  246    HG   SER  34           HG       SER  34   4.414   9.240   1.723
  247    H    ASP  35           H        ASP  35   5.075   8.519  -1.509
  248    HA   ASP  35           HA       ASP  35   7.562   9.596  -2.312
  249    HB2  ASP  35           HB2      ASP  35   4.727   9.936  -3.229
  250    HB3  ASP  35           HB3      ASP  35   5.985  10.989  -3.869
  251    H    SER  36           H        SER  36   4.923  10.844  -0.403
  252    HA   SER  36           HA       SER  36   5.714  13.585  -0.534
  253    HB2  SER  36           HB2      SER  36   3.926  12.119   1.419
  254    HB3  SER  36           HB3      SER  36   4.130  13.870   1.375
  255    HG   SER  36           HG       SER  36   3.047  13.972  -0.484
  256    H    THR  37           H        THR  37   6.077  11.038   1.920
  257    HA   THR  37           HA       THR  37   7.436  12.527   3.841
  258    HB   THR  37           HB       THR  37   7.757   9.586   3.210
  259    HG1  THR  37           HG1      THR  37   6.188   9.369   4.880
  260   HG21  THR  37          HG21      THR  37   9.583  10.205   4.591
  261   HG22  THR  37          HG22      THR  37   8.381   9.491   5.666
  262   HG23  THR  37          HG23      THR  37   8.567  11.242   5.591
  263    H    PHE  38           H        PHE  38   8.536  11.207   0.830
  264    HA   PHE  38           HA       PHE  38  11.316  11.202   1.388
  265    HB2  PHE  38           HB2      PHE  38  10.051  10.050  -0.544
  266    HB3  PHE  38           HB3      PHE  38  10.146  11.610  -1.355
  267    HD1  PHE  38           HD1      PHE  38  12.389   9.251   0.473
  268    HD2  PHE  38           HD2      PHE  38  11.897  11.935  -2.793
  269    HE1  PHE  38           HE1      PHE  38  14.650   8.693  -0.321
  270    HE2  PHE  38           HE2      PHE  38  14.157  11.381  -3.593
  271    HZ   PHE  38           HZ       PHE  38  15.537   9.760  -2.356
  272    H    LYS  39           H        LYS  39   9.071  13.641   0.270
  273    HA   LYS  39           HA       LYS  39  10.800  15.542  -0.763
  274    HB2  LYS  39           HB2      LYS  39   8.237  15.871   0.796
  275    HB3  LYS  39           HB3      LYS  39   9.073  17.217   0.033
  276    HG2  LYS  39           HG2      LYS  39   8.876  15.970  -2.140
  277    HG3  LYS  39           HG3      LYS  39   7.813  14.836  -1.302
  278    HD2  LYS  39           HD2      LYS  39   6.151  16.428  -0.993
  279    HD3  LYS  39           HD3      LYS  39   7.269  17.779  -1.195
  280    HE2  LYS  39           HE2      LYS  39   7.430  17.365  -3.554
  281    HE3  LYS  39           HE3      LYS  39   6.498  15.876  -3.403
  282    HZ1  LYS  39           HZ1      LYS  39   5.107  17.633  -4.235
  283    HZ2  LYS  39           HZ2      LYS  39   5.498  18.632  -2.928
  284    HZ3  LYS  39           HZ3      LYS  39   4.597  17.222  -2.675
  285    H    LYS  40           H        LYS  40   9.724  15.169   2.610
  286    HA   LYS  40           HA       LYS  40  11.246  17.286   3.661
  287    HB2  LYS  40           HB2      LYS  40  10.015  14.822   4.858
  288    HB3  LYS  40           HB3      LYS  40  11.010  15.891   5.838
  289    HG2  LYS  40           HG2      LYS  40   8.767  16.540   6.184
  290    HG3  LYS  40           HG3      LYS  40   9.490  17.769   5.144
  291    HD2  LYS  40           HD2      LYS  40   8.442  16.819   3.200
  292    HD3  LYS  40           HD3      LYS  40   7.853  15.443   4.137
  293    HE2  LYS  40           HE2      LYS  40   6.097  17.117   3.712
  294    HE3  LYS  40           HE3      LYS  40   6.416  16.896   5.432
  295    HZ1  LYS  40           HZ1      LYS  40   7.351  18.954   5.619
  296    HZ2  LYS  40           HZ2      LYS  40   6.222  19.272   4.400
  297    HZ3  LYS  40           HZ3      LYS  40   7.847  19.019   4.003
  298    H    CYS  41           H        CYS  41  11.910  13.785   3.607
  299    HA   CYS  41           HA       CYS  41  14.396  13.832   4.839
  300    HB2  CYS  41           HB2      CYS  41  13.292  11.736   4.445
  301    HB3  CYS  41           HB3      CYS  41  13.309  11.992   2.703
  302    H    GLN  42           H        GLN  42  13.532  14.429   1.479
  303    HA   GLN  42           HA       GLN  42  16.075  14.394   0.340
  304    HB2  GLN  42           HB2      GLN  42  13.486  15.702  -0.343
  305    HB3  GLN  42           HB3      GLN  42  14.929  16.235  -1.196
  306    HG2  GLN  42           HG2      GLN  42  14.298  13.325  -1.013
  307    HG3  GLN  42           HG3      GLN  42  13.460  14.342  -2.184
  308   HE21  GLN  42          HE21      GLN  42  14.346  14.377  -4.109
  309   HE22  GLN  42          HE22      GLN  42  16.021  14.157  -4.471
  310    H    ASP  43           H        ASP  43  14.418  16.896   2.158
  311    HA   ASP  43           HA       ASP  43  16.275  18.976   1.582
  312    HB2  ASP  43           HB2      ASP  43  13.911  19.295   2.407
  313    HB3  ASP  43           HB3      ASP  43  14.468  18.774   3.995
  314    H    LEU  44           H        LEU  44  15.978  16.579   4.150
  315    HA   LEU  44           HA       LEU  44  17.951  17.599   5.868
  316    HB2  LEU  44           HB2      LEU  44  17.330  14.682   5.492
  317    HB3  LEU  44           HB3      LEU  44  17.920  15.487   6.945
  318    HG   LEU  44           HG       LEU  44  15.157  15.684   5.754
  319   HD11  LEU  44          HD11      LEU  44  15.556  14.871   8.542
  320   HD12  LEU  44          HD12      LEU  44  16.177  13.737   7.344
  321   HD13  LEU  44          HD13      LEU  44  14.481  14.216   7.307
  322   HD21  LEU  44          HD21      LEU  44  15.490  17.822   6.588
  323   HD22  LEU  44          HD22      LEU  44  16.521  17.259   7.904
  324   HD23  LEU  44          HD23      LEU  44  14.780  16.975   7.962
  325    H    LEU  45           H        LEU  45  18.175  15.064   3.374
  326    HA   LEU  45           HA       LEU  45  20.974  14.709   3.648
  327    HB2  LEU  45           HB2      LEU  45  19.231  14.086   1.271
  328    HB3  LEU  45           HB3      LEU  45  20.831  13.425   1.598
  329    HG   LEU  45           HG       LEU  45  18.545  12.956   3.484
  330   HD11  LEU  45          HD11      LEU  45  18.174  10.810   2.304
  331   HD12  LEU  45          HD12      LEU  45  19.225  11.379   1.007
  332   HD13  LEU  45          HD13      LEU  45  17.715  12.222   1.352
  333   HD21  LEU  45          HD21      LEU  45  20.550  10.886   3.009
  334   HD22  LEU  45          HD22      LEU  45  19.947  11.558   4.525
  335   HD23  LEU  45          HD23      LEU  45  21.220  12.393   3.633
  336    H    HIS  46           H        HIS  46  19.011  16.956   1.892
  337    HA   HIS  46           HA       HIS  46  21.346  17.909   0.388
  338    HB2  HIS  46           HB2      HIS  46  19.198  17.397  -0.833
  339    HB3  HIS  46           HB3      HIS  46  18.464  18.745   0.031
  340    HD1  HIS  46           HD1      HIS  46  18.069  20.055  -2.155
  341    HD2  HIS  46           HD2      HIS  46  22.061  19.186  -1.402
  342    HE1  HIS  46           HE1      HIS  46  19.381  21.473  -3.765
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1   0.937  -3.450  -1.228
    2    HA   ALA   1           HA       ALA   1   1.639  -0.683  -1.694
    3    HB1  ALA   1           HB1      ALA   1   2.972  -0.632   0.489
    4    HB2  ALA   1           HB2      ALA   1   1.227  -0.393   0.590
    5    HB3  ALA   1           HB3      ALA   1   1.929  -1.956   1.008
    6    H    ASP   2           H        ASP   2   3.298  -0.810  -3.042
    7    HA   ASP   2           HA       ASP   2   5.117  -3.103  -2.867
    8    HB2  ASP   2           HB2      ASP   2   5.128  -1.096  -5.102
    9    HB3  ASP   2           HB3      ASP   2   5.624  -2.786  -5.129
   10    H    ASN   3           H        ASN   3   7.271  -2.889  -2.495
   11    HA   ASN   3           HA       ASN   3   8.157  -0.412  -1.322
   12    HB2  ASN   3           HB2      ASN   3   9.210  -3.186  -1.533
   13    HB3  ASN   3           HB3      ASN   3  10.386  -1.897  -1.296
   14   HD21  ASN   3          HD21      ASN   3  10.881  -1.558   0.734
   15   HD22  ASN   3          HD22      ASN   3   9.837  -1.777   2.093
   16    H    LYS   4           H        LYS   4   8.506   1.172  -2.783
   17    HA   LYS   4           HA       LYS   4   9.543   0.810  -5.375
   18    HB2  LYS   4           HB2      LYS   4   9.629   3.305  -3.669
   19    HB3  LYS   4           HB3      LYS   4   9.808   3.236  -5.418
   20    HG2  LYS   4           HG2      LYS   4   7.332   2.151  -4.162
   21    HG3  LYS   4           HG3      LYS   4   7.527   3.896  -4.340
   22    HD2  LYS   4           HD2      LYS   4   7.842   1.937  -6.609
   23    HD3  LYS   4           HD3      LYS   4   6.329   2.764  -6.232
   24    HE2  LYS   4           HE2      LYS   4   7.039   4.405  -7.562
   25    HE3  LYS   4           HE3      LYS   4   8.198   4.801  -6.293
   26    HZ1  LYS   4           HZ1      LYS   4   9.153   2.667  -7.899
   27    HZ2  LYS   4           HZ2      LYS   4   9.863   4.171  -7.591
   28    HZ3  LYS   4           HZ3      LYS   4   8.766   3.999  -8.867
   29    H    CYS   5           H        CYS   5  11.065   1.148  -2.277
   30    HA   CYS   5           HA       CYS   5  13.671   1.753  -3.371
   31    HB2  CYS   5           HB2      CYS   5  14.437   1.572  -1.030
   32    HB3  CYS   5           HB3      CYS   5  13.068   2.666  -1.195
   33    H    GLU   6           H        GLU   6  11.855  -1.049  -2.434
   34    HA   GLU   6           HA       GLU   6  13.883  -2.890  -1.954
   35    HB2  GLU   6           HB2      GLU   6  11.620  -3.505  -1.505
   36    HB3  GLU   6           HB3      GLU   6  11.147  -3.234  -3.176
   37    HG2  GLU   6           HG2      GLU   6  11.280  -5.594  -2.734
   38    HG3  GLU   6           HG3      GLU   6  12.547  -5.126  -3.866
   39    H    ASN   7           H        ASN   7  12.715  -1.547  -4.952
   40    HA   ASN   7           HA       ASN   7  14.415  -3.381  -6.487
   41    HB2  ASN   7           HB2      ASN   7  13.216  -2.537  -8.467
   42    HB3  ASN   7           HB3      ASN   7  12.103  -3.182  -7.264
   43   HD21  ASN   7          HD21      ASN   7  10.430  -1.973  -6.747
   44   HD22  ASN   7          HD22      ASN   7  10.282  -0.274  -7.022
   45    H    SER   8           H        SER   8  14.099  -0.083  -5.480
   46    HA   SER   8           HA       SER   8  16.216   0.781  -7.309
   47    HB2  SER   8           HB2      SER   8  14.439   2.363  -5.436
   48    HB3  SER   8           HB3      SER   8  15.677   3.066  -6.477
   49    HG   SER   8           HG       SER   8  13.489   3.061  -7.346
   50    H    LEU   9           H        LEU   9  18.237   0.584  -6.633
   51    HA   LEU   9           HA       LEU   9  18.952   0.106  -3.932
   52    HB2  LEU   9           HB2      LEU   9  21.180   0.007  -4.683
   53    HB3  LEU   9           HB3      LEU   9  20.195  -0.652  -5.987
   54    HG   LEU   9           HG       LEU   9  20.379   1.893  -6.816
   55   HD11  LEU   9          HD11      LEU   9  22.159   3.048  -6.089
   56   HD12  LEU   9          HD12      LEU   9  23.169   1.608  -5.956
   57   HD13  LEU   9          HD13      LEU   9  22.031   2.008  -4.669
   58   HD21  LEU   9          HD21      LEU   9  20.995   0.422  -8.418
   59   HD22  LEU   9          HD22      LEU   9  21.940  -0.567  -7.304
   60   HD23  LEU   9          HD23      LEU   9  22.614   0.934  -7.942
   61    H    ARG  10           H        ARG  10  18.946   2.970  -5.973
   62    HA   ARG  10           HA       ARG  10  20.403   4.637  -4.197
   63    HB2  ARG  10           HB2      ARG  10  18.779   5.005  -6.647
   64    HB3  ARG  10           HB3      ARG  10  18.933   6.411  -5.601
   65    HG2  ARG  10           HG2      ARG  10  21.455   5.936  -5.675
   66    HG3  ARG  10           HG3      ARG  10  21.072   4.911  -7.059
   67    HD2  ARG  10           HD2      ARG  10  20.129   6.767  -8.248
   68    HD3  ARG  10           HD3      ARG  10  20.270   7.806  -6.831
   69    HE   ARG  10           HE       ARG  10  22.824   6.925  -7.400
   70   HH11  ARG  10          HH11      ARG  10  20.340   8.761  -9.007
   71   HH12  ARG  10          HH12      ARG  10  21.457   9.707  -9.934
   72   HH21  ARG  10          HH21      ARG  10  24.304   8.164  -8.615
   73   HH22  ARG  10          HH22      ARG  10  23.712   9.366  -9.711
   74    H    ARG  11           H        ARG  11  16.932   4.144  -4.755
   75    HA   ARG  11           HA       ARG  11  16.010   6.072  -2.933
   76    HB2  ARG  11           HB2      ARG  11  14.644   4.906  -4.694
   77    HB3  ARG  11           HB3      ARG  11  14.624   3.488  -3.655
   78    HG2  ARG  11           HG2      ARG  11  12.587   4.573  -3.266
   79    HG3  ARG  11           HG3      ARG  11  13.601   4.985  -1.881
   80    HD2  ARG  11           HD2      ARG  11  13.793   7.171  -2.497
   81    HD3  ARG  11           HD3      ARG  11  13.659   6.810  -4.217
   82    HE   ARG  11           HE       ARG  11  11.405   7.136  -4.063
   83   HH11  ARG  11          HH11      ARG  11  12.687   6.617  -0.868
   84   HH12  ARG  11          HH12      ARG  11  11.191   6.973  -0.069
   85   HH21  ARG  11          HH21      ARG  11   9.430   7.606  -3.022
   86   HH22  ARG  11          HH22      ARG  11   9.339   7.534  -1.295
   87    H    GLU  12           H        GLU  12  17.035   2.745  -2.510
   88    HA   GLU  12           HA       GLU  12  16.054   2.458   0.149
   89    HB2  GLU  12           HB2      GLU  12  16.770   0.637  -1.569
   90    HB3  GLU  12           HB3      GLU  12  18.384   0.905  -0.927
   91    HG2  GLU  12           HG2      GLU  12  17.124   0.573   1.375
   92    HG3  GLU  12           HG3      GLU  12  16.012  -0.331   0.348
   93    H    ILE  13           H        ILE  13  19.254   3.186  -1.210
   94    HA   ILE  13           HA       ILE  13  20.594   3.400   1.265
   95    HB   ILE  13           HB       ILE  13  21.271   4.707  -1.373
   96   HG12  ILE  13          HG12      ILE  13  22.579   2.257  -0.231
   97   HG13  ILE  13          HG13      ILE  13  21.083   2.119  -1.148
   98   HG21  ILE  13          HG21      ILE  13  22.593   5.876   0.091
   99   HG22  ILE  13          HG22      ILE  13  22.691   4.542   1.239
  100   HG23  ILE  13          HG23      ILE  13  23.635   4.495  -0.250
  101   HD11  ILE  13          HD11      ILE  13  22.189   3.237  -3.046
  102   HD12  ILE  13          HD12      ILE  13  23.693   3.248  -2.124
  103   HD13  ILE  13          HD13      ILE  13  22.955   1.716  -2.591
  104    H    ALA  14           H        ALA  14  18.597   5.603  -0.531
  105    HA   ALA  14           HA       ALA  14  19.454   8.002   0.731
  106    HB1  ALA  14           HB1      ALA  14  17.772   7.359  -1.371
  107    HB2  ALA  14           HB2      ALA  14  16.698   8.059  -0.160
  108    HB3  ALA  14           HB3      ALA  14  18.091   8.974  -0.736
  109    H    CYS  15           H        CYS  15  16.602   5.923   1.230
  110    HA   CYS  15           HA       CYS  15  15.624   7.361   3.461
  111    HB2  CYS  15           HB2      CYS  15  15.067   4.704   2.226
  112    HB3  CYS  15           HB3      CYS  15  14.489   4.990   3.864
  113    H    GLY  16           H        GLY  16  17.962   4.793   3.106
  114    HA2  GLY  16           HA2      GLY  16  18.042   3.791   5.705
  115    HA3  GLY  16           HA3      GLY  16  19.413   3.838   4.606
  116    H    GLN  17           H        GLN  17  19.777   6.568   4.331
  117    HA   GLN  17           HA       GLN  17  21.232   7.162   6.685
  118    HB2  GLN  17           HB2      GLN  17  20.496   8.874   4.309
  119    HB3  GLN  17           HB3      GLN  17  21.577   9.398   5.593
  120    HG2  GLN  17           HG2      GLN  17  23.069   7.508   5.064
  121    HG3  GLN  17           HG3      GLN  17  22.007   7.079   3.725
  122   HE21  GLN  17          HE21      GLN  17  21.498   9.103   2.307
  123   HE22  GLN  17          HE22      GLN  17  22.888  10.006   1.821
  124    H    CYS  18           H        CYS  18  18.366   8.736   5.260
  125    HA   CYS  18           HA       CYS  18  17.892  10.548   7.321
  126    HB2  CYS  18           HB2      CYS  18  16.152   9.281   5.234
  127    HB3  CYS  18           HB3      CYS  18  15.424  10.291   6.480
  128    H    ARG  19           H        ARG  19  17.098   7.156   7.049
  129    HA   ARG  19           HA       ARG  19  15.157   6.932   9.034
  130    HB2  ARG  19           HB2      ARG  19  15.617   5.072   7.587
  131    HB3  ARG  19           HB3      ARG  19  17.284   4.987   8.139
  132    HG2  ARG  19           HG2      ARG  19  16.463   4.375  10.391
  133    HG3  ARG  19           HG3      ARG  19  14.821   4.350   9.745
  134    HD2  ARG  19           HD2      ARG  19  15.118   2.361   8.751
  135    HD3  ARG  19           HD3      ARG  19  16.736   2.779   8.190
  136    HE   ARG  19           HE       ARG  19  16.086   1.234  10.474
  137   HH11  ARG  19          HH11      ARG  19  18.341   3.622   9.319
  138   HH12  ARG  19          HH12      ARG  19  19.616   3.121  10.380
  139   HH21  ARG  19          HH21      ARG  19  17.756   0.565  11.875
  140   HH22  ARG  19          HH22      ARG  19  19.282   1.381  11.833
  141    H    ASP  20           H        ASP  20  18.663   7.076   9.271
  142    HA   ASP  20           HA       ASP  20  18.666   6.549  12.110
  143    HB2  ASP  20           HB2      ASP  20  20.530   6.056  10.316
  144    HB3  ASP  20           HB3      ASP  20  21.020   7.710  10.672
  145    H    LYS  21           H        LYS  21  19.555   9.342  10.077
  146    HA   LYS  21           HA       LYS  21  19.997  11.177  12.107
  147    HB2  LYS  21           HB2      LYS  21  18.921  11.598   9.316
  148    HB3  LYS  21           HB3      LYS  21  19.404  12.912  10.380
  149    HG2  LYS  21           HG2      LYS  21  21.333  10.715   9.793
  150    HG3  LYS  21           HG3      LYS  21  21.058  11.984   8.598
  151    HD2  LYS  21           HD2      LYS  21  21.746  12.564  11.471
  152    HD3  LYS  21           HD3      LYS  21  22.969  12.366  10.214
  153    HE2  LYS  21           HE2      LYS  21  20.746  14.406  10.235
  154    HE3  LYS  21           HE3      LYS  21  22.449  14.721  10.566
  155    HZ1  LYS  21           HZ1      LYS  21  22.613  15.141   8.402
  156    HZ2  LYS  21           HZ2      LYS  21  21.102  14.466   8.054
  157    HZ3  LYS  21           HZ3      LYS  21  22.470  13.475   8.146
  158    H    VAL  22           H        VAL  22  16.994  10.805  10.212
  159    HA   VAL  22           HA       VAL  22  15.420  12.576  11.657
  160    HB   VAL  22           HB       VAL  22  14.537  10.033  10.285
  161   HG11  VAL  22          HG11      VAL  22  12.591  10.506  11.303
  162   HG12  VAL  22          HG12      VAL  22  13.074  12.161  11.682
  163   HG13  VAL  22          HG13      VAL  22  12.459  11.766  10.077
  164   HG21  VAL  22          HG21      VAL  22  14.203  11.324   8.332
  165   HG22  VAL  22          HG22      VAL  22  14.464  12.838   9.197
  166   HG23  VAL  22          HG23      VAL  22  15.814  11.738   8.918
  167    H    LYS  23           H        LYS  23  16.462   9.371  12.459
  168    HA   LYS  23           HA       LYS  23  16.110   8.016  14.255
  169    HB2  LYS  23           HB2      LYS  23  15.654  10.735  15.476
  170    HB3  LYS  23           HB3      LYS  23  15.654   9.259  16.433
  171    HG2  LYS  23           HG2      LYS  23  17.951  10.238  14.749
  172    HG3  LYS  23           HG3      LYS  23  17.810  10.420  16.499
  173    HD2  LYS  23           HD2      LYS  23  17.701   7.947  16.693
  174    HD3  LYS  23           HD3      LYS  23  17.982   7.832  14.954
  175    HE2  LYS  23           HE2      LYS  23  20.097   7.534  15.910
  176    HE3  LYS  23           HE3      LYS  23  20.086   9.217  15.386
  177    HZ1  LYS  23           HZ1      LYS  23  20.537   8.210  17.955
  178    HZ2  LYS  23           HZ2      LYS  23  19.101   9.101  18.003
  179    HZ3  LYS  23           HZ3      LYS  23  20.528   9.825  17.452
  180    H    THR  24           H        THR  24  14.062   7.686  12.700
  181    HA   THR  24           HA       THR  24  11.757   7.633  14.516
  182    HB   THR  24           HB       THR  24  11.638   8.472  11.613
  183    HG1  THR  24           HG1      THR  24  12.262  10.043  13.331
  184   HG21  THR  24          HG21      THR  24   9.181   8.873  12.262
  185   HG22  THR  24          HG22      THR  24   9.500   7.772  13.603
  186   HG23  THR  24          HG23      THR  24   9.689   7.216  11.940
  187    H    ASP  25           H        ASP  25  11.233   5.578  14.812
  188    HA   ASP  25           HA       ASP  25  12.111   3.471  13.139
  189    HB2  ASP  25           HB2      ASP  25  10.299   3.691  15.504
  190    HB3  ASP  25           HB3      ASP  25  10.265   2.208  14.553
  191    H    GLY  26           H        GLY  26  11.209   2.538  11.407
  192    HA2  GLY  26           HA2      GLY  26   9.455   1.790  10.032
  193    HA3  GLY  26           HA3      GLY  26   8.352   2.845  10.902
  194    H    TYR  27           H        TYR  27  10.542   4.998  10.508
  195    HA   TYR  27           HA       TYR  27   9.333   6.395   8.444
  196    HB2  TYR  27           HB2      TYR  27  10.827   7.413  10.128
  197    HB3  TYR  27           HB3      TYR  27  12.207   6.633   9.362
  198    HD1  TYR  27           HD1      TYR  27   9.476   9.077   8.733
  199    HD2  TYR  27           HD2      TYR  27  13.328   7.677   7.591
  200    HE1  TYR  27           HE1      TYR  27   9.726  11.008   7.231
  201    HE2  TYR  27           HE2      TYR  27  13.589   9.605   6.086
  202    HH   TYR  27           HH       TYR  27  10.973  11.957   5.644
  203    H    PHE  28           H        PHE  28  12.247   4.370   8.341
  204    HA   PHE  28           HA       PHE  28  13.006   4.786   5.716
  205    HB2  PHE  28           HB2      PHE  28  14.426   3.521   7.176
  206    HB3  PHE  28           HB3      PHE  28  13.184   2.298   7.419
  207    HD1  PHE  28           HD1      PHE  28  15.673   3.634   5.082
  208    HD2  PHE  28           HD2      PHE  28  12.807   0.571   5.803
  209    HE1  PHE  28           HE1      PHE  28  16.602   2.329   3.214
  210    HE2  PHE  28           HE2      PHE  28  13.731  -0.739   3.938
  211    HZ   PHE  28           HZ       PHE  28  15.632   0.139   2.641
  212    H    TYR  29           H        TYR  29  10.699   2.402   6.982
  213    HA   TYR  29           HA       TYR  29  10.060   1.365   4.391
  214    HB2  TYR  29           HB2      TYR  29   9.839  -0.036   6.377
  215    HB3  TYR  29           HB3      TYR  29   8.639   1.065   7.046
  216    HD1  TYR  29           HD1      TYR  29   9.281  -1.382   4.351
  217    HD2  TYR  29           HD2      TYR  29   6.357   0.936   6.394
  218    HE1  TYR  29           HE1      TYR  29   7.499  -2.661   3.239
  219    HE2  TYR  29           HE2      TYR  29   4.566  -0.338   5.289
  220    HH   TYR  29           HH       TYR  29   4.185  -2.393   4.178
  221    H    GLU  30           H        GLU  30   8.989   4.023   6.291
  222    HA   GLU  30           HA       GLU  30   6.407   4.303   5.087
  223    HB2  GLU  30           HB2      GLU  30   6.877   5.223   7.306
  224    HB3  GLU  30           HB3      GLU  30   8.088   6.295   6.619
  225    HG2  GLU  30           HG2      GLU  30   6.209   7.638   6.924
  226    HG3  GLU  30           HG3      GLU  30   6.208   7.255   5.204
  227    H    CYS  31           H        CYS  31   9.457   6.123   4.762
  228    HA   CYS  31           HA       CYS  31   8.588   7.761   2.646
  229    HB2  CYS  31           HB2      CYS  31  11.025   8.164   2.264
  230    HB3  CYS  31           HB3      CYS  31  10.522   8.391   3.936
  231    H    CYS  32           H        CYS  32   9.852   4.521   2.733
  232    HA   CYS  32           HA       CYS  32  10.686   4.256   0.071
  233    HB2  CYS  32           HB2      CYS  32   9.853   2.385   2.230
  234    HB3  CYS  32           HB3      CYS  32   9.890   1.757   0.586
  235    H    THR  33           H        THR  33   7.537   4.431   1.459
  236    HA   THR  33           HA       THR  33   6.367   3.951  -1.197
  237    HB   THR  33           HB       THR  33   4.482   2.798  -0.269
  238    HG1  THR  33           HG1      THR  33   4.111   2.652   1.881
  239   HG21  THR  33          HG21      THR  33   6.468   1.336   1.306
  240   HG22  THR  33          HG22      THR  33   7.012   1.742  -0.322
  241   HG23  THR  33          HG23      THR  33   5.527   0.818  -0.093
  242    H    SER  34           H        SER  34   7.097   6.354   0.529
  243    HA   SER  34           HA       SER  34   4.495   7.696   0.270
  244    HB2  SER  34           HB2      SER  34   5.130   7.136   2.688
  245    HB3  SER  34           HB3      SER  34   6.413   8.333   2.510
  246    HG   SER  34           HG       SER  34   4.973   9.900   2.510
  247    H    ASP  35           H        ASP  35   4.856   8.943  -1.467
  248    HA   ASP  35           HA       ASP  35   7.350  10.086  -2.149
  249    HB2  ASP  35           HB2      ASP  35   6.066  11.381  -3.814
  250    HB3  ASP  35           HB3      ASP  35   5.637   9.673  -3.834
  251    H    SER  36           H        SER  36   4.537  11.317  -0.417
  252    HA   SER  36           HA       SER  36   5.366  14.011  -0.274
  253    HB2  SER  36           HB2      SER  36   3.496  12.375   1.444
  254    HB3  SER  36           HB3      SER  36   3.763  14.100   1.696
  255    HG   SER  36           HG       SER  36   1.942  13.373   0.269
  256    H    THR  37           H        THR  37   6.269  11.179   1.494
  257    HA   THR  37           HA       THR  37   7.436  12.633   3.703
  258    HB   THR  37           HB       THR  37   7.794   9.714   3.005
  259    HG1  THR  37           HG1      THR  37   5.810  11.040   4.559
  260   HG21  THR  37          HG21      THR  37   8.096   9.620   5.550
  261   HG22  THR  37          HG22      THR  37   8.326  11.366   5.459
  262   HG23  THR  37          HG23      THR  37   9.421  10.286   4.597
  263    H    PHE  38           H        PHE  38   8.442  11.390   0.629
  264    HA   PHE  38           HA       PHE  38  11.218  11.220   1.107
  265    HB2  PHE  38           HB2      PHE  38   9.858  10.318  -0.888
  266    HB3  PHE  38           HB3      PHE  38  10.018  11.938  -1.559
  267    HD1  PHE  38           HD1      PHE  38  12.189   9.341   0.017
  268    HD2  PHE  38           HD2      PHE  38  11.735  12.275  -3.033
  269    HE1  PHE  38           HE1      PHE  38  14.400   8.743  -0.882
  270    HE2  PHE  38           HE2      PHE  38  13.944  11.681  -3.938
  271    HZ   PHE  38           HZ       PHE  38  15.280   9.913  -2.863
  272    H    LYS  39           H        LYS  39   9.186  13.835  -0.164
  273    HA   LYS  39           HA       LYS  39  11.127  15.683  -0.818
  274    HB2  LYS  39           HB2      LYS  39   9.448  17.340  -0.707
  275    HB3  LYS  39           HB3      LYS  39   8.607  15.855  -1.134
  276    HG2  LYS  39           HG2      LYS  39   8.322  15.703   1.496
  277    HG3  LYS  39           HG3      LYS  39   8.496  17.454   1.358
  278    HD2  LYS  39           HD2      LYS  39   6.718  17.268  -0.497
  279    HD3  LYS  39           HD3      LYS  39   6.395  15.668   0.174
  280    HE2  LYS  39           HE2      LYS  39   4.868  17.098   1.240
  281    HE3  LYS  39           HE3      LYS  39   6.150  16.837   2.421
  282    HZ1  LYS  39           HZ1      LYS  39   5.202  19.250   1.619
  283    HZ2  LYS  39           HZ2      LYS  39   6.632  19.100   0.727
  284    HZ3  LYS  39           HZ3      LYS  39   6.672  18.987   2.415
  285    H    LYS  40           H        LYS  40   9.941  14.754   2.334
  286    HA   LYS  40           HA       LYS  40  11.100  16.935   3.761
  287    HB2  LYS  40           HB2      LYS  40   9.836  14.334   4.482
  288    HB3  LYS  40           HB3      LYS  40  10.834  15.127   5.693
  289    HG2  LYS  40           HG2      LYS  40   8.807  16.013   6.217
  290    HG3  LYS  40           HG3      LYS  40   9.361  17.214   5.048
  291    HD2  LYS  40           HD2      LYS  40   7.897  16.514   3.431
  292    HD3  LYS  40           HD3      LYS  40   7.847  14.858   4.041
  293    HE2  LYS  40           HE2      LYS  40   6.670  15.932   6.094
  294    HE3  LYS  40           HE3      LYS  40   6.370  17.279   4.997
  295    HZ1  LYS  40           HZ1      LYS  40   5.034  14.790   5.165
  296    HZ2  LYS  40           HZ2      LYS  40   5.679  14.990   3.614
  297    HZ3  LYS  40           HZ3      LYS  40   4.630  16.155   4.250
  298    H    CYS  41           H        CYS  41  12.092  13.591   3.125
  299    HA   CYS  41           HA       CYS  41  14.506  13.759   4.625
  300    HB2  CYS  41           HB2      CYS  41  13.568  11.590   4.241
  301    HB3  CYS  41           HB3      CYS  41  13.558  11.836   2.498
  302    H    GLN  42           H        GLN  42  13.610  14.502   1.338
  303    HA   GLN  42           HA       GLN  42  16.177  14.547   0.187
  304    HB2  GLN  42           HB2      GLN  42  13.536  15.765  -0.494
  305    HB3  GLN  42           HB3      GLN  42  14.968  16.322  -1.350
  306    HG2  GLN  42           HG2      GLN  42  15.424  13.873  -1.855
  307    HG3  GLN  42           HG3      GLN  42  13.778  13.571  -1.303
  308   HE21  GLN  42          HE21      GLN  42  15.751  14.594  -3.867
  309   HE22  GLN  42          HE22      GLN  42  14.499  15.011  -4.982
  310    H    ASP  43           H        ASP  43  14.423  16.869   2.119
  311    HA   ASP  43           HA       ASP  43  16.104  19.098   1.559
  312    HB2  ASP  43           HB2      ASP  43  13.842  19.417   2.415
  313    HB3  ASP  43           HB3      ASP  43  14.260  18.564   3.898
  314    H    LEU  44           H        LEU  44  16.020  16.664   4.126
  315    HA   LEU  44           HA       LEU  44  17.992  17.728   5.785
  316    HB2  LEU  44           HB2      LEU  44  17.608  14.788   5.298
  317    HB3  LEU  44           HB3      LEU  44  18.158  15.584   6.771
  318    HG   LEU  44           HG       LEU  44  15.362  15.575   5.642
  319   HD11  LEU  44          HD11      LEU  44  16.200  14.623   8.349
  320   HD12  LEU  44          HD12      LEU  44  16.363  13.573   6.942
  321   HD13  LEU  44          HD13      LEU  44  14.777  14.193   7.401
  322   HD21  LEU  44          HD21      LEU  44  15.079  17.530   6.667
  323   HD22  LEU  44          HD22      LEU  44  16.678  17.456   7.407
  324   HD23  LEU  44          HD23      LEU  44  15.307  16.669   8.190
  325    H    LEU  45           H        LEU  45  18.335  15.330   3.172
  326    HA   LEU  45           HA       LEU  45  21.159  15.186   3.346
  327    HB2  LEU  45           HB2      LEU  45  19.477  14.575   0.927
  328    HB3  LEU  45           HB3      LEU  45  21.069  13.929   1.319
  329    HG   LEU  45           HG       LEU  45  18.486  13.311   2.751
  330   HD11  LEU  45          HD11      LEU  45  19.294  10.959   1.880
  331   HD12  LEU  45          HD12      LEU  45  20.081  11.944   0.648
  332   HD13  LEU  45          HD13      LEU  45  18.333  12.035   0.865
  333   HD21  LEU  45          HD21      LEU  45  21.277  12.990   3.518
  334   HD22  LEU  45          HD22      LEU  45  20.377  11.473   3.534
  335   HD23  LEU  45          HD23      LEU  45  19.810  12.845   4.487
  336    H    HIS  46           H        HIS  46  18.974  17.356   1.761
  337    HA   HIS  46           HA       HIS  46  21.086  18.489   0.098
  338    HB2  HIS  46           HB2      HIS  46  18.121  18.994   0.302
  339    HB3  HIS  46           HB3      HIS  46  19.185  20.026  -0.650
  340    HD1  HIS  46           HD1      HIS  46  20.888  17.324  -1.508
  341    HD2  HIS  46           HD2      HIS  46  16.871  18.192  -2.119
  342    HE1  HIS  46           HE1      HIS  46  20.182  15.904  -3.460
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1   4.401  -4.192   2.585
    2    HA   ALA   1           HA       ALA   1   2.372  -3.848   0.489
    3    HB1  ALA   1           HB1      ALA   1   2.127  -1.689   1.125
    4    HB2  ALA   1           HB2      ALA   1   2.742  -2.322   2.652
    5    HB3  ALA   1           HB3      ALA   1   3.832  -1.500   1.536
    6    H    ASP   2           H        ASP   2   2.915  -2.690  -1.442
    7    HA   ASP   2           HA       ASP   2   5.183  -3.589  -2.752
    8    HB2  ASP   2           HB2      ASP   2   4.684  -1.855  -4.456
    9    HB3  ASP   2           HB3      ASP   2   3.254  -2.762  -3.970
   10    H    ASN   3           H        ASN   3   7.253  -3.135  -2.458
   11    HA   ASN   3           HA       ASN   3   7.992  -0.587  -1.209
   12    HB2  ASN   3           HB2      ASN   3   9.154  -3.311  -1.244
   13    HB3  ASN   3           HB3      ASN   3  10.309  -1.981  -1.258
   14   HD21  ASN   3          HD21      ASN   3   9.253  -0.120   0.307
   15   HD22  ASN   3          HD22      ASN   3   9.013  -0.707   1.914
   16    H    LYS   4           H        LYS   4   8.308   0.950  -2.695
   17    HA   LYS   4           HA       LYS   4   9.125   0.503  -5.355
   18    HB2  LYS   4           HB2      LYS   4   9.431   3.071  -3.794
   19    HB3  LYS   4           HB3      LYS   4   9.306   2.896  -5.539
   20    HG2  LYS   4           HG2      LYS   4   7.131   2.254  -3.557
   21    HG3  LYS   4           HG3      LYS   4   7.228   3.712  -4.547
   22    HD2  LYS   4           HD2      LYS   4   5.889   2.504  -5.918
   23    HD3  LYS   4           HD3      LYS   4   7.436   1.859  -6.473
   24    HE2  LYS   4           HE2      LYS   4   7.137  -0.146  -5.404
   25    HE3  LYS   4           HE3      LYS   4   6.100   0.549  -4.159
   26    HZ1  LYS   4           HZ1      LYS   4   4.983   0.684  -6.808
   27    HZ2  LYS   4           HZ2      LYS   4   4.278   0.158  -5.363
   28    HZ3  LYS   4           HZ3      LYS   4   5.240  -0.899  -6.268
   29    H    CYS   5           H        CYS   5  10.918   1.562  -2.481
   30    HA   CYS   5           HA       CYS   5  13.388   2.015  -3.699
   31    HB2  CYS   5           HB2      CYS   5  14.349   1.648  -1.434
   32    HB3  CYS   5           HB3      CYS   5  12.969   2.741  -1.431
   33    H    GLU   6           H        GLU   6  11.791  -0.943  -2.831
   34    HA   GLU   6           HA       GLU   6  13.894  -2.724  -2.636
   35    HB2  GLU   6           HB2      GLU   6  11.473  -3.247  -2.278
   36    HB3  GLU   6           HB3      GLU   6  11.267  -3.270  -4.024
   37    HG2  GLU   6           HG2      GLU   6  12.450  -5.226  -4.278
   38    HG3  GLU   6           HG3      GLU   6  13.332  -5.013  -2.767
   39    H    ASN   7           H        ASN   7  12.542  -1.195  -5.470
   40    HA   ASN   7           HA       ASN   7  14.232  -2.813  -7.229
   41    HB2  ASN   7           HB2      ASN   7  11.710  -2.172  -7.636
   42    HB3  ASN   7           HB3      ASN   7  12.404  -0.670  -8.240
   43   HD21  ASN   7          HD21      ASN   7  10.944  -2.751  -9.656
   44   HD22  ASN   7          HD22      ASN   7  11.990  -3.297 -10.918
   45    H    SER   8           H        SER   8  13.884   0.405  -5.947
   46    HA   SER   8           HA       SER   8  16.000   1.423  -7.692
   47    HB2  SER   8           HB2      SER   8  14.004   2.829  -7.396
   48    HB3  SER   8           HB3      SER   8  14.284   2.866  -5.656
   49    HG   SER   8           HG       SER   8  15.464   4.317  -7.645
   50    H    LEU   9           H        LEU   9  18.002   1.015  -7.027
   51    HA   LEU   9           HA       LEU   9  18.718   0.406  -4.365
   52    HB2  LEU   9           HB2      LEU   9  20.939   0.286  -5.130
   53    HB3  LEU   9           HB3      LEU   9  19.932  -0.267  -6.467
   54    HG   LEU   9           HG       LEU   9  20.177   2.285  -7.187
   55   HD11  LEU   9          HD11      LEU   9  21.956   2.094  -5.011
   56   HD12  LEU   9          HD12      LEU   9  21.742   3.440  -6.129
   57   HD13  LEU   9          HD13      LEU   9  22.937   2.191  -6.473
   58   HD21  LEU   9          HD21      LEU   9  21.651   1.561  -8.814
   59   HD22  LEU   9          HD22      LEU   9  20.900   0.052  -8.295
   60   HD23  LEU   9          HD23      LEU   9  22.507   0.485  -7.710
   61    H    ARG  10           H        ARG  10  18.779   3.378  -6.242
   62    HA   ARG  10           HA       ARG  10  20.282   4.902  -4.376
   63    HB2  ARG  10           HB2      ARG  10  18.635   5.480  -6.783
   64    HB3  ARG  10           HB3      ARG  10  18.932   6.811  -5.673
   65    HG2  ARG  10           HG2      ARG  10  21.416   6.058  -5.867
   66    HG3  ARG  10           HG3      ARG  10  20.861   5.278  -7.349
   67    HD2  ARG  10           HD2      ARG  10  21.621   7.410  -8.002
   68    HD3  ARG  10           HD3      ARG  10  19.861   7.518  -7.985
   69    HE   ARG  10           HE       ARG  10  20.019   9.081  -6.328
   70   HH11  ARG  10          HH11      ARG  10  23.026   7.337  -6.519
   71   HH12  ARG  10          HH12      ARG  10  23.841   8.358  -5.382
   72   HH21  ARG  10          HH21      ARG  10  21.082  10.433  -4.828
   73   HH22  ARG  10          HH22      ARG  10  22.734  10.118  -4.420
   74    H    ARG  11           H        ARG  11  16.856   4.249  -4.801
   75    HA   ARG  11           HA       ARG  11  15.887   6.209  -3.012
   76    HB2  ARG  11           HB2      ARG  11  14.453   5.090  -4.660
   77    HB3  ARG  11           HB3      ARG  11  14.660   3.564  -3.811
   78    HG2  ARG  11           HG2      ARG  11  12.607   4.265  -3.051
   79    HG3  ARG  11           HG3      ARG  11  13.685   4.855  -1.783
   80    HD2  ARG  11           HD2      ARG  11  12.305   6.679  -2.216
   81    HD3  ARG  11           HD3      ARG  11  13.758   7.031  -3.150
   82    HE   ARG  11           HE       ARG  11  11.832   5.639  -4.711
   83   HH11  ARG  11          HH11      ARG  11  12.617   8.771  -3.409
   84   HH12  ARG  11          HH12      ARG  11  11.777   9.641  -4.648
   85   HH21  ARG  11          HH21      ARG  11  10.722   6.774  -6.348
   86   HH22  ARG  11          HH22      ARG  11  10.698   8.505  -6.320
   87    H    GLU  12           H        GLU  12  16.894   2.853  -2.580
   88    HA   GLU  12           HA       GLU  12  16.061   2.620   0.118
   89    HB2  GLU  12           HB2      GLU  12  16.450   0.616  -1.121
   90    HB3  GLU  12           HB3      GLU  12  18.090   1.106  -1.522
   91    HG2  GLU  12           HG2      GLU  12  18.904   0.594   0.565
   92    HG3  GLU  12           HG3      GLU  12  17.327   0.755   1.336
   93    H    ILE  13           H        ILE  13  19.265   3.218  -1.320
   94    HA   ILE  13           HA       ILE  13  20.687   3.512   1.060
   95    HB   ILE  13           HB       ILE  13  21.196   4.904  -1.573
   96   HG12  ILE  13          HG12      ILE  13  22.534   2.406  -0.550
   97   HG13  ILE  13          HG13      ILE  13  21.055   2.336  -1.502
   98   HG21  ILE  13          HG21      ILE  13  23.604   4.788  -0.653
   99   HG22  ILE  13          HG22      ILE  13  22.524   6.041  -0.045
  100   HG23  ILE  13          HG23      ILE  13  22.827   4.595   0.918
  101   HD11  ILE  13          HD11      ILE  13  23.679   3.523  -2.372
  102   HD12  ILE  13          HD12      ILE  13  22.984   1.993  -2.909
  103   HD13  ILE  13          HD13      ILE  13  22.195   3.515  -3.324
  104    H    ALA  14           H        ALA  14  18.721   5.806  -0.729
  105    HA   ALA  14           HA       ALA  14  19.534   8.119   0.710
  106    HB1  ALA  14           HB1      ALA  14  17.268   8.989  -0.211
  107    HB2  ALA  14           HB2      ALA  14  18.580   8.624  -1.332
  108    HB3  ALA  14           HB3      ALA  14  17.259   7.476  -1.117
  109    H    CYS  15           H        CYS  15  16.877   5.816   1.074
  110    HA   CYS  15           HA       CYS  15  15.619   7.222   3.215
  111    HB2  CYS  15           HB2      CYS  15  15.281   4.595   1.874
  112    HB3  CYS  15           HB3      CYS  15  14.666   4.727   3.518
  113    H    GLY  16           H        GLY  16  17.924   4.552   3.008
  114    HA2  GLY  16           HA2      GLY  16  17.948   3.714   5.651
  115    HA3  GLY  16           HA3      GLY  16  19.340   3.661   4.580
  116    H    GLN  17           H        GLN  17  19.740   6.394   4.176
  117    HA   GLN  17           HA       GLN  17  21.221   7.055   6.492
  118    HB2  GLN  17           HB2      GLN  17  20.473   8.677   4.059
  119    HB3  GLN  17           HB3      GLN  17  21.547   9.265   5.321
  120    HG2  GLN  17           HG2      GLN  17  22.853   7.058   4.829
  121    HG3  GLN  17           HG3      GLN  17  21.995   7.135   3.291
  122   HE21  GLN  17          HE21      GLN  17  24.439   7.246   2.783
  123   HE22  GLN  17          HE22      GLN  17  25.074   8.839   2.574
  124    H    CYS  18           H        CYS  18  18.364   8.630   5.048
  125    HA   CYS  18           HA       CYS  18  17.928  10.494   7.070
  126    HB2  CYS  18           HB2      CYS  18  16.250   9.262   4.942
  127    HB3  CYS  18           HB3      CYS  18  15.419  10.131   6.229
  128    H    ARG  19           H        ARG  19  17.077   7.111   6.876
  129    HA   ARG  19           HA       ARG  19  15.138   6.946   8.860
  130    HB2  ARG  19           HB2      ARG  19  15.676   5.060   7.425
  131    HB3  ARG  19           HB3      ARG  19  17.286   4.953   8.123
  132    HG2  ARG  19           HG2      ARG  19  16.173   4.496  10.335
  133    HG3  ARG  19           HG3      ARG  19  14.659   4.337   9.442
  134    HD2  ARG  19           HD2      ARG  19  16.270   2.725   7.987
  135    HD3  ARG  19           HD3      ARG  19  16.978   2.527   9.590
  136    HE   ARG  19           HE       ARG  19  14.508   1.460   8.678
  137   HH11  ARG  19          HH11      ARG  19  16.096   2.769  11.486
  138   HH12  ARG  19          HH12      ARG  19  15.104   1.903  12.612
  139   HH21  ARG  19          HH21      ARG  19  13.195   0.315  10.151
  140   HH22  ARG  19          HH22      ARG  19  13.455   0.507  11.852
  141    H    ASP  20           H        ASP  20  18.643   7.092   9.121
  142    HA   ASP  20           HA       ASP  20  18.622   6.655  11.975
  143    HB2  ASP  20           HB2      ASP  20  20.713   7.144   9.901
  144    HB3  ASP  20           HB3      ASP  20  21.110   7.487  11.583
  145    H    LYS  21           H        LYS  21  19.069   9.385   9.771
  146    HA   LYS  21           HA       LYS  21  19.706  11.320  11.708
  147    HB2  LYS  21           HB2      LYS  21  18.667  11.387   8.911
  148    HB3  LYS  21           HB3      LYS  21  18.590  12.864   9.863
  149    HG2  LYS  21           HG2      LYS  21  21.118  11.284   9.475
  150    HG3  LYS  21           HG3      LYS  21  20.622  12.606   8.416
  151    HD2  LYS  21           HD2      LYS  21  20.862  12.946  11.394
  152    HD3  LYS  21           HD3      LYS  21  22.238  13.170  10.310
  153    HE2  LYS  21           HE2      LYS  21  20.981  14.880   9.083
  154    HE3  LYS  21           HE3      LYS  21  19.616  14.658  10.177
  155    HZ1  LYS  21           HZ1      LYS  21  21.317  15.218  11.993
  156    HZ2  LYS  21           HZ2      LYS  21  20.713  16.482  11.045
  157    HZ3  LYS  21           HZ3      LYS  21  22.253  15.854  10.735
  158    H    VAL  22           H        VAL  22  16.586  10.822  10.042
  159    HA   VAL  22           HA       VAL  22  15.064  12.558  11.572
  160    HB   VAL  22           HB       VAL  22  14.101   9.949  10.394
  161   HG11  VAL  22          HG11      VAL  22  12.058  11.683  10.118
  162   HG12  VAL  22          HG12      VAL  22  12.243  10.599  11.498
  163   HG13  VAL  22          HG13      VAL  22  12.772  12.278  11.616
  164   HG21  VAL  22          HG21      VAL  22  13.418  12.044   8.694
  165   HG22  VAL  22          HG22      VAL  22  15.098  12.352   9.136
  166   HG23  VAL  22          HG23      VAL  22  14.645  10.808   8.412
  167    H    LYS  23           H        LYS  23  16.245   9.389  12.343
  168    HA   LYS  23           HA       LYS  23  16.131   8.102  14.214
  169    HB2  LYS  23           HB2      LYS  23  15.609  10.849  15.299
  170    HB3  LYS  23           HB3      LYS  23  15.511   9.452  16.363
  171    HG2  LYS  23           HG2      LYS  23  17.925  10.080  14.685
  172    HG3  LYS  23           HG3      LYS  23  17.713  10.647  16.343
  173    HD2  LYS  23           HD2      LYS  23  17.787   8.473  17.215
  174    HD3  LYS  23           HD3      LYS  23  17.484   7.737  15.639
  175    HE2  LYS  23           HE2      LYS  23  19.837   7.523  16.435
  176    HE3  LYS  23           HE3      LYS  23  19.672   8.320  14.871
  177    HZ1  LYS  23           HZ1      LYS  23  21.182   9.304  16.765
  178    HZ2  LYS  23           HZ2      LYS  23  19.725  10.002  17.264
  179    HZ3  LYS  23           HZ3      LYS  23  20.323  10.313  15.713
  180    H    THR  24           H        THR  24  13.997   7.724  12.663
  181    HA   THR  24           HA       THR  24  11.813   7.406  14.605
  182    HB   THR  24           HB       THR  24  11.469   8.303  11.737
  183    HG1  THR  24           HG1      THR  24  10.920   9.606  14.215
  184   HG21  THR  24          HG21      THR  24   9.565   7.072  11.997
  185   HG22  THR  24          HG22      THR  24   9.028   8.561  12.775
  186   HG23  THR  24          HG23      THR  24   9.587   7.207  13.755
  187    H    ASP  25           H        ASP  25  11.465   5.308  14.859
  188    HA   ASP  25           HA       ASP  25  12.435   3.309  13.131
  189    HB2  ASP  25           HB2      ASP  25  10.268   3.103  15.234
  190    HB3  ASP  25           HB3      ASP  25  11.131   1.748  14.510
  191    H    GLY  26           H        GLY  26  11.673   2.591  11.258
  192    HA2  GLY  26           HA2      GLY  26   9.930   1.675   9.909
  193    HA3  GLY  26           HA3      GLY  26   8.777   2.685  10.770
  194    H    TYR  27           H        TYR  27  10.984   4.870  10.393
  195    HA   TYR  27           HA       TYR  27   9.746   6.311   8.388
  196    HB2  TYR  27           HB2      TYR  27  11.390   7.189  10.077
  197    HB3  TYR  27           HB3      TYR  27  12.680   6.513   9.088
  198    HD1  TYR  27           HD1      TYR  27   9.963   9.022   9.148
  199    HD2  TYR  27           HD2      TYR  27  13.455   7.639   7.149
  200    HE1  TYR  27           HE1      TYR  27  10.000  11.079   7.801
  201    HE2  TYR  27           HE2      TYR  27  13.503   9.693   5.798
  202    HH   TYR  27           HH       TYR  27  11.366  11.494   5.112
  203    H    PHE  28           H        PHE  28  12.611   4.228   8.147
  204    HA   PHE  28           HA       PHE  28  13.267   4.670   5.494
  205    HB2  PHE  28           HB2      PHE  28  14.738   3.382   6.881
  206    HB3  PHE  28           HB3      PHE  28  13.497   2.167   7.168
  207    HD1  PHE  28           HD1      PHE  28  12.922   0.545   5.448
  208    HD2  PHE  28           HD2      PHE  28  16.009   3.412   4.845
  209    HE1  PHE  28           HE1      PHE  28  13.753  -0.758   3.533
  210    HE2  PHE  28           HE2      PHE  28  16.844   2.115   2.929
  211    HZ   PHE  28           HZ       PHE  28  15.716   0.027   2.270
  212    H    TYR  29           H        TYR  29  10.963   2.339   6.849
  213    HA   TYR  29           HA       TYR  29  10.219   1.289   4.292
  214    HB2  TYR  29           HB2      TYR  29  10.053   0.034   6.466
  215    HB3  TYR  29           HB3      TYR  29   8.693   1.067   6.892
  216    HD1  TYR  29           HD1      TYR  29   9.852  -1.594   4.630
  217    HD2  TYR  29           HD2      TYR  29   6.532   0.747   5.896
  218    HE1  TYR  29           HE1      TYR  29   8.331  -3.121   3.445
  219    HE2  TYR  29           HE2      TYR  29   5.002  -0.774   4.716
  220    HH   TYR  29           HH       TYR  29   6.230  -3.580   2.913
  221    H    GLU  30           H        GLU  30   9.228   3.963   6.236
  222    HA   GLU  30           HA       GLU  30   6.639   4.301   5.072
  223    HB2  GLU  30           HB2      GLU  30   7.276   5.194   7.306
  224    HB3  GLU  30           HB3      GLU  30   8.348   6.338   6.510
  225    HG2  GLU  30           HG2      GLU  30   6.431   7.570   6.951
  226    HG3  GLU  30           HG3      GLU  30   6.273   7.132   5.251
  227    H    CYS  31           H        CYS  31   9.716   6.061   4.696
  228    HA   CYS  31           HA       CYS  31   8.841   7.727   2.605
  229    HB2  CYS  31           HB2      CYS  31  11.267   8.098   2.182
  230    HB3  CYS  31           HB3      CYS  31  10.820   8.291   3.874
  231    H    CYS  32           H        CYS  32  10.002   4.454   2.653
  232    HA   CYS  32           HA       CYS  32  10.779   4.191  -0.034
  233    HB2  CYS  32           HB2      CYS  32  10.009   2.336   2.154
  234    HB3  CYS  32           HB3      CYS  32   9.933   1.701   0.514
  235    H    THR  33           H        THR  33   7.672   4.393   1.449
  236    HA   THR  33           HA       THR  33   6.419   3.935  -1.175
  237    HB   THR  33           HB       THR  33   4.533   2.832  -0.177
  238    HG1  THR  33           HG1      THR  33   5.851   3.283   2.313
  239   HG21  THR  33          HG21      THR  33   6.848   1.501   1.182
  240   HG22  THR  33          HG22      THR  33   6.776   1.584  -0.578
  241   HG23  THR  33          HG23      THR  33   5.492   0.775   0.320
  242    H    SER  34           H        SER  34   7.243   6.332   0.517
  243    HA   SER  34           HA       SER  34   4.665   7.727   0.310
  244    HB2  SER  34           HB2      SER  34   6.632   7.931   2.600
  245    HB3  SER  34           HB3      SER  34   5.288   9.045   2.351
  246    HG   SER  34           HG       SER  34   3.912   7.551   2.980
  247    H    ASP  35           H        ASP  35   5.022   8.978  -1.423
  248    HA   ASP  35           HA       ASP  35   7.530  10.063  -2.146
  249    HB2  ASP  35           HB2      ASP  35   6.318  11.302  -3.839
  250    HB3  ASP  35           HB3      ASP  35   5.663   9.670  -3.739
  251    H    SER  36           H        SER  36   4.870  11.258  -0.209
  252    HA   SER  36           HA       SER  36   5.697  13.970  -0.118
  253    HB2  SER  36           HB2      SER  36   4.074  12.511   1.974
  254    HB3  SER  36           HB3      SER  36   4.076  14.241   1.634
  255    HG   SER  36           HG       SER  36   2.317  12.835   0.719
  256    H    THR  37           H        THR  37   6.050  11.304   2.217
  257    HA   THR  37           HA       THR  37   7.502  12.655   4.158
  258    HB   THR  37           HB       THR  37   7.830   9.750   3.380
  259    HG1  THR  37           HG1      THR  37   5.982  11.079   5.088
  260   HG21  THR  37          HG21      THR  37   8.930  11.405   5.523
  261   HG22  THR  37          HG22      THR  37   9.434   9.815   4.948
  262   HG23  THR  37          HG23      THR  37   8.110   9.957   6.105
  263    H    PHE  38           H        PHE  38   8.503  11.483   1.053
  264    HA   PHE  38           HA       PHE  38  11.300  11.422   1.548
  265    HB2  PHE  38           HB2      PHE  38   9.907  10.396  -0.414
  266    HB3  PHE  38           HB3      PHE  38  10.150  11.968  -1.168
  267    HD1  PHE  38           HD1      PHE  38  11.953   9.086   0.310
  268    HD2  PHE  38           HD2      PHE  38  12.144  12.466  -2.270
  269    HE1  PHE  38           HE1      PHE  38  14.171   8.361  -0.470
  270    HE2  PHE  38           HE2      PHE  38  14.362  11.746  -3.055
  271    HZ   PHE  38           HZ       PHE  38  15.378   9.691  -2.156
  272    H    LYS  39           H        LYS  39   9.044  13.918   0.604
  273    HA   LYS  39           HA       LYS  39  10.721  15.847  -0.438
  274    HB2  LYS  39           HB2      LYS  39   8.347  16.256   1.390
  275    HB3  LYS  39           HB3      LYS  39   9.081  17.503   0.389
  276    HG2  LYS  39           HG2      LYS  39   8.584  15.820  -1.549
  277    HG3  LYS  39           HG3      LYS  39   7.404  15.174  -0.406
  278    HD2  LYS  39           HD2      LYS  39   6.202  16.757  -1.641
  279    HD3  LYS  39           HD3      LYS  39   6.615  17.599  -0.146
  280    HE2  LYS  39           HE2      LYS  39   7.151  19.176  -1.743
  281    HE3  LYS  39           HE3      LYS  39   8.704  18.384  -1.482
  282    HZ1  LYS  39           HZ1      LYS  39   7.204  17.062  -3.501
  283    HZ2  LYS  39           HZ2      LYS  39   8.755  17.730  -3.586
  284    HZ3  LYS  39           HZ3      LYS  39   7.400  18.699  -3.880
  285    H    LYS  40           H        LYS  40   9.815  15.436   2.986
  286    HA   LYS  40           HA       LYS  40  11.466  17.453   4.006
  287    HB2  LYS  40           HB2      LYS  40  10.182  15.011   5.162
  288    HB3  LYS  40           HB3      LYS  40  11.357  15.895   6.127
  289    HG2  LYS  40           HG2      LYS  40   9.395  16.873   6.792
  290    HG3  LYS  40           HG3      LYS  40   9.899  17.963   5.498
  291    HD2  LYS  40           HD2      LYS  40   8.464  16.571   3.947
  292    HD3  LYS  40           HD3      LYS  40   7.816  15.789   5.391
  293    HE2  LYS  40           HE2      LYS  40   7.824  18.773   5.160
  294    HE3  LYS  40           HE3      LYS  40   6.571  17.825   4.361
  295    HZ1  LYS  40           HZ1      LYS  40   6.534  16.757   6.800
  296    HZ2  LYS  40           HZ2      LYS  40   5.549  18.050   6.332
  297    HZ3  LYS  40           HZ3      LYS  40   6.981  18.343   7.184
  298    H    CYS  41           H        CYS  41  12.056  13.954   3.724
  299    HA   CYS  41           HA       CYS  41  14.601  13.876   4.828
  300    HB2  CYS  41           HB2      CYS  41  13.442  11.829   4.352
  301    HB3  CYS  41           HB3      CYS  41  13.369  12.204   2.634
  302    H    GLN  42           H        GLN  42  13.607  14.602   1.515
  303    HA   GLN  42           HA       GLN  42  16.108  14.653   0.298
  304    HB2  GLN  42           HB2      GLN  42  13.524  16.072  -0.243
  305    HB3  GLN  42           HB3      GLN  42  14.954  16.463  -1.189
  306    HG2  GLN  42           HG2      GLN  42  15.146  14.078  -1.808
  307    HG3  GLN  42           HG3      GLN  42  13.638  13.769  -0.948
  308   HE21  GLN  42          HE21      GLN  42  14.536  13.658  -3.849
  309   HE22  GLN  42          HE22      GLN  42  13.298  14.515  -4.697
  310    H    ASP  43           H        ASP  43  14.513  17.037   2.307
  311    HA   ASP  43           HA       ASP  43  16.305  19.177   1.740
  312    HB2  ASP  43           HB2      ASP  43  14.069  19.598   2.635
  313    HB3  ASP  43           HB3      ASP  43  14.480  18.729   4.111
  314    H    LEU  44           H        LEU  44  16.157  16.682   4.233
  315    HA   LEU  44           HA       LEU  44  18.192  17.631   5.896
  316    HB2  LEU  44           HB2      LEU  44  17.558  14.741   5.336
  317    HB3  LEU  44           HB3      LEU  44  18.325  15.402   6.778
  318    HG   LEU  44           HG       LEU  44  15.462  15.865   5.942
  319   HD11  LEU  44          HD11      LEU  44  15.467  13.678   6.675
  320   HD12  LEU  44          HD12      LEU  44  15.148  14.561   8.167
  321   HD13  LEU  44          HD13      LEU  44  16.770  13.955   7.831
  322   HD21  LEU  44          HD21      LEU  44  15.548  17.616   7.307
  323   HD22  LEU  44          HD22      LEU  44  17.197  17.229   7.798
  324   HD23  LEU  44          HD23      LEU  44  15.831  16.489   8.634
  325    H    LEU  45           H        LEU  45  18.379  15.268   3.237
  326    HA   LEU  45           HA       LEU  45  21.195  14.981   3.364
  327    HB2  LEU  45           HB2      LEU  45  19.469  14.510   0.946
  328    HB3  LEU  45           HB3      LEU  45  21.016  13.758   1.331
  329    HG   LEU  45           HG       LEU  45  18.366  13.265   2.684
  330   HD11  LEU  45          HD11      LEU  45  19.222  10.868   1.887
  331   HD12  LEU  45          HD12      LEU  45  19.988  11.861   0.647
  332   HD13  LEU  45          HD13      LEU  45  18.239  11.920   0.867
  333   HD21  LEU  45          HD21      LEU  45  19.642  11.543   3.967
  334   HD22  LEU  45          HD22      LEU  45  20.039  13.210   4.387
  335   HD23  LEU  45          HD23      LEU  45  21.129  12.274   3.363
  336    H    HIS  46           H        HIS  46  19.094  17.274   1.827
  337    HA   HIS  46           HA       HIS  46  21.219  18.330   0.143
  338    HB2  HIS  46           HB2      HIS  46  18.294  18.953   0.460
  339    HB3  HIS  46           HB3      HIS  46  19.362  20.037  -0.427
  340    HD1  HIS  46           HD1      HIS  46  21.012  17.479  -1.616
  341    HD2  HIS  46           HD2      HIS  46  16.946  18.280  -1.917
  342    HE1  HIS  46           HE1      HIS  46  20.225  16.215  -3.643
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1  -0.198  -0.970   0.347
    2    HA   ALA   1           HA       ALA   1   0.747  -0.501  -2.060
    3    HB1  ALA   1           HB1      ALA   1   1.562   1.290  -1.039
    4    HB2  ALA   1           HB2      ALA   1   1.428   0.475   0.520
    5    HB3  ALA   1           HB3      ALA   1   2.909   0.330  -0.427
    6    H    ASP   2           H        ASP   2   3.286  -0.308  -2.613
    7    HA   ASP   2           HA       ASP   2   4.435  -3.003  -2.308
    8    HB2  ASP   2           HB2      ASP   2   5.362  -2.602  -4.676
    9    HB3  ASP   2           HB3      ASP   2   3.657  -3.019  -4.525
   10    H    ASN   3           H        ASN   3   6.699  -3.147  -2.272
   11    HA   ASN   3           HA       ASN   3   8.001  -0.842  -1.158
   12    HB2  ASN   3           HB2      ASN   3   8.357  -3.292  -0.483
   13    HB3  ASN   3           HB3      ASN   3   9.354  -3.424  -1.929
   14   HD21  ASN   3          HD21      ASN   3  10.801  -4.012   0.010
   15   HD22  ASN   3          HD22      ASN   3  11.764  -2.718   0.630
   16    H    LYS   4           H        LYS   4   8.607   0.753  -2.474
   17    HA   LYS   4           HA       LYS   4   9.371   0.293  -5.206
   18    HB2  LYS   4           HB2      LYS   4   9.524   2.806  -3.530
   19    HB3  LYS   4           HB3      LYS   4   9.748   2.726  -5.273
   20    HG2  LYS   4           HG2      LYS   4   7.213   1.867  -3.907
   21    HG3  LYS   4           HG3      LYS   4   7.494   3.510  -4.487
   22    HD2  LYS   4           HD2      LYS   4   7.940   1.236  -6.360
   23    HD3  LYS   4           HD3      LYS   4   6.282   1.717  -5.992
   24    HE2  LYS   4           HE2      LYS   4   6.677   3.936  -6.780
   25    HE3  LYS   4           HE3      LYS   4   8.409   3.638  -6.922
   26    HZ1  LYS   4           HZ1      LYS   4   6.355   3.143  -8.808
   27    HZ2  LYS   4           HZ2      LYS   4   7.172   1.705  -8.455
   28    HZ3  LYS   4           HZ3      LYS   4   8.032   3.051  -9.010
   29    H    CYS   5           H        CYS   5  11.013   0.876  -2.167
   30    HA   CYS   5           HA       CYS   5  13.551   1.547  -3.110
   31    HB2  CYS   5           HB2      CYS   5  12.630   0.131  -0.615
   32    HB3  CYS   5           HB3      CYS   5  14.331   0.475  -0.912
   33    H    GLU   6           H        GLU   6  11.897  -1.498  -3.044
   34    HA   GLU   6           HA       GLU   6  14.134  -3.210  -3.242
   35    HB2  GLU   6           HB2      GLU   6  12.021  -4.146  -2.628
   36    HB3  GLU   6           HB3      GLU   6  11.258  -3.539  -4.091
   37    HG2  GLU   6           HG2      GLU   6  11.619  -5.905  -4.287
   38    HG3  GLU   6           HG3      GLU   6  12.659  -5.053  -5.427
   39    H    ASN   7           H        ASN   7  12.379  -1.307  -5.576
   40    HA   ASN   7           HA       ASN   7  13.764  -2.573  -7.811
   41    HB2  ASN   7           HB2      ASN   7  11.717  -0.343  -7.809
   42    HB3  ASN   7           HB3      ASN   7  12.334  -1.178  -9.231
   43   HD21  ASN   7          HD21      ASN   7   9.880  -1.051  -7.018
   44   HD22  ASN   7          HD22      ASN   7   9.204  -2.622  -7.263
   45    H    SER   8           H        SER   8  13.827   0.318  -5.887
   46    HA   SER   8           HA       SER   8  15.927   1.428  -7.631
   47    HB2  SER   8           HB2      SER   8  13.903   2.754  -5.841
   48    HB3  SER   8           HB3      SER   8  15.375   3.595  -6.329
   49    HG   SER   8           HG       SER   8  13.694   4.036  -7.779
   50    H    LEU   9           H        LEU   9  17.873   0.936  -6.866
   51    HA   LEU   9           HA       LEU   9  18.403   0.246  -4.172
   52    HB2  LEU   9           HB2      LEU   9  20.663   0.040  -4.813
   53    HB3  LEU   9           HB3      LEU   9  19.701  -0.482  -6.195
   54    HG   LEU   9           HG       LEU   9  20.084   2.050  -6.920
   55   HD11  LEU   9          HD11      LEU   9  21.877   3.107  -6.058
   56   HD12  LEU   9          HD12      LEU   9  22.773   1.610  -5.799
   57   HD13  LEU   9          HD13      LEU   9  21.527   2.102  -4.651
   58   HD21  LEU   9          HD21      LEU   9  20.871  -0.328  -7.845
   59   HD22  LEU   9          HD22      LEU   9  22.442   0.320  -7.372
   60   HD23  LEU   9          HD23      LEU   9  21.437   1.198  -8.526
   61    H    ARG  10           H        ARG  10  18.732   3.226  -6.013
   62    HA   ARG  10           HA       ARG  10  20.215   4.665  -4.081
   63    HB2  ARG  10           HB2      ARG  10  18.639   5.345  -6.509
   64    HB3  ARG  10           HB3      ARG  10  18.967   6.645  -5.371
   65    HG2  ARG  10           HG2      ARG  10  21.379   6.132  -5.539
   66    HG3  ARG  10           HG3      ARG  10  21.002   4.919  -6.763
   67    HD2  ARG  10           HD2      ARG  10  20.022   6.653  -8.181
   68    HD3  ARG  10           HD3      ARG  10  20.386   7.865  -6.954
   69    HE   ARG  10           HE       ARG  10  22.739   6.488  -7.697
   70   HH11  ARG  10          HH11      ARG  10  20.482   8.869  -8.862
   71   HH12  ARG  10          HH12      ARG  10  21.643   9.665  -9.871
   72   HH21  ARG  10          HH21      ARG  10  24.277   7.528  -9.022
   73   HH22  ARG  10          HH22      ARG  10  23.801   8.902  -9.962
   74    H    ARG  11           H        ARG  11  16.823   3.975  -4.463
   75    HA   ARG  11           HA       ARG  11  15.830   6.003  -2.746
   76    HB2  ARG  11           HB2      ARG  11  14.548   4.566  -4.455
   77    HB3  ARG  11           HB3      ARG  11  14.493   3.345  -3.191
   78    HG2  ARG  11           HG2      ARG  11  12.454   4.526  -3.084
   79    HG3  ARG  11           HG3      ARG  11  13.422   5.075  -1.715
   80    HD2  ARG  11           HD2      ARG  11  13.856   7.139  -2.688
   81    HD3  ARG  11           HD3      ARG  11  13.489   6.559  -4.312
   82    HE   ARG  11           HE       ARG  11  11.207   6.479  -2.600
   83   HH11  ARG  11          HH11      ARG  11  13.166   8.578  -4.570
   84   HH12  ARG  11          HH12      ARG  11  11.887   9.708  -4.867
   85   HH21  ARG  11          HH21      ARG  11   9.515   7.959  -2.985
   86   HH22  ARG  11          HH22      ARG  11   9.811   9.355  -3.965
   87    H    GLU  12           H        GLU  12  17.010   2.738  -2.225
   88    HA   GLU  12           HA       GLU  12  16.128   2.534   0.478
   89    HB2  GLU  12           HB2      GLU  12  16.548   0.506  -0.709
   90    HB3  GLU  12           HB3      GLU  12  18.179   1.012  -1.126
   91    HG2  GLU  12           HG2      GLU  12  19.025   0.459   0.903
   92    HG3  GLU  12           HG3      GLU  12  17.521   0.812   1.751
   93    H    ILE  13           H        ILE  13  19.319   3.146  -0.983
   94    HA   ILE  13           HA       ILE  13  20.736   3.532   1.389
   95    HB   ILE  13           HB       ILE  13  21.231   4.841  -1.287
   96   HG12  ILE  13          HG12      ILE  13  22.532   2.365  -0.151
   97   HG13  ILE  13          HG13      ILE  13  21.125   2.303  -1.207
   98   HG21  ILE  13          HG21      ILE  13  22.495   6.031   0.304
   99   HG22  ILE  13          HG22      ILE  13  22.930   4.561   1.174
  100   HG23  ILE  13          HG23      ILE  13  23.615   4.877  -0.419
  101   HD11  ILE  13          HD11      ILE  13  23.176   1.918  -2.443
  102   HD12  ILE  13          HD12      ILE  13  22.399   3.412  -2.965
  103   HD13  ILE  13          HD13      ILE  13  23.807   3.474  -1.906
  104    H    ALA  14           H        ALA  14  18.733   5.733  -0.470
  105    HA   ALA  14           HA       ALA  14  19.518   8.108   0.883
  106    HB1  ALA  14           HB1      ALA  14  17.266   8.939  -0.064
  107    HB2  ALA  14           HB2      ALA  14  18.545   8.487  -1.192
  108    HB3  ALA  14           HB3      ALA  14  17.211   7.376  -0.881
  109    H    CYS  15           H        CYS  15  16.925   5.758   1.359
  110    HA   CYS  15           HA       CYS  15  15.655   7.228   3.458
  111    HB2  CYS  15           HB2      CYS  15  15.333   4.549   2.209
  112    HB3  CYS  15           HB3      CYS  15  14.708   4.750   3.842
  113    H    GLY  16           H        GLY  16  17.967   4.558   3.310
  114    HA2  GLY  16           HA2      GLY  16  18.022   3.792   5.969
  115    HA3  GLY  16           HA3      GLY  16  19.410   3.732   4.894
  116    H    GLN  17           H        GLN  17  19.745   6.476   4.427
  117    HA   GLN  17           HA       GLN  17  21.233   7.206   6.724
  118    HB2  GLN  17           HB2      GLN  17  20.469   8.732   4.236
  119    HB3  GLN  17           HB3      GLN  17  21.501   9.404   5.492
  120    HG2  GLN  17           HG2      GLN  17  22.956   7.325   5.132
  121    HG3  GLN  17           HG3      GLN  17  22.048   7.122   3.635
  122   HE21  GLN  17          HE21      GLN  17  24.804   7.541   3.727
  123   HE22  GLN  17          HE22      GLN  17  25.153   9.072   3.008
  124    H    CYS  18           H        CYS  18  18.345   8.692   5.249
  125    HA   CYS  18           HA       CYS  18  17.888  10.608   7.217
  126    HB2  CYS  18           HB2      CYS  18  16.244   9.301   5.116
  127    HB3  CYS  18           HB3      CYS  18  15.374  10.140   6.397
  128    H    ARG  19           H        ARG  19  17.095   7.206   7.129
  129    HA   ARG  19           HA       ARG  19  15.171   7.068   9.131
  130    HB2  ARG  19           HB2      ARG  19  15.668   5.134   7.795
  131    HB3  ARG  19           HB3      ARG  19  17.333   5.108   8.360
  132    HG2  ARG  19           HG2      ARG  19  16.532   4.594  10.629
  133    HG3  ARG  19           HG3      ARG  19  14.879   4.556  10.014
  134    HD2  ARG  19           HD2      ARG  19  15.143   2.530   9.068
  135    HD3  ARG  19           HD3      ARG  19  16.787   2.883   8.537
  136    HE   ARG  19           HE       ARG  19  16.034   1.456  10.865
  137   HH11  ARG  19          HH11      ARG  19  18.381   3.735   9.676
  138   HH12  ARG  19          HH12      ARG  19  19.612   3.250  10.794
  139   HH21  ARG  19          HH21      ARG  19  17.646   0.808  12.343
  140   HH22  ARG  19          HH22      ARG  19  19.193   1.584  12.310
  141    H    ASP  20           H        ASP  20  18.675   7.280   9.362
  142    HA   ASP  20           HA       ASP  20  18.698   6.907  12.220
  143    HB2  ASP  20           HB2      ASP  20  20.577   6.349  10.512
  144    HB3  ASP  20           HB3      ASP  20  20.982   8.058  10.646
  145    H    LYS  21           H        LYS  21  18.938   9.613   9.969
  146    HA   LYS  21           HA       LYS  21  19.537  11.601  11.884
  147    HB2  LYS  21           HB2      LYS  21  18.128  11.887   9.223
  148    HB3  LYS  21           HB3      LYS  21  18.838  13.200  10.153
  149    HG2  LYS  21           HG2      LYS  21  20.592  10.924   9.424
  150    HG3  LYS  21           HG3      LYS  21  20.111  12.042   8.146
  151    HD2  LYS  21           HD2      LYS  21  21.948  13.163   8.856
  152    HD3  LYS  21           HD3      LYS  21  20.808  13.809  10.039
  153    HE2  LYS  21           HE2      LYS  21  22.836  13.093  11.150
  154    HE3  LYS  21           HE3      LYS  21  21.492  12.053  11.622
  155    HZ1  LYS  21           HZ1      LYS  21  23.106  11.196   9.347
  156    HZ2  LYS  21           HZ2      LYS  21  22.373  10.275  10.561
  157    HZ3  LYS  21           HZ3      LYS  21  23.821  11.090  10.876
  158    H    VAL  22           H        VAL  22  16.448  11.019  10.188
  159    HA   VAL  22           HA       VAL  22  14.858  12.696  11.702
  160    HB   VAL  22           HB       VAL  22  13.978  10.045  10.552
  161   HG11  VAL  22          HG11      VAL  22  12.095  10.680  11.624
  162   HG12  VAL  22          HG12      VAL  22  12.583  12.375  11.704
  163   HG13  VAL  22          HG13      VAL  22  11.900  11.721  10.214
  164   HG21  VAL  22          HG21      VAL  22  13.315  12.211   8.856
  165   HG22  VAL  22          HG22      VAL  22  15.033  12.340   9.234
  166   HG23  VAL  22          HG23      VAL  22  14.395  10.856   8.527
  167    H    LYS  23           H        LYS  23  16.105   9.546  12.486
  168    HA   LYS  23           HA       LYS  23  16.012   8.263  14.362
  169    HB2  LYS  23           HB2      LYS  23  15.442  11.002  15.453
  170    HB3  LYS  23           HB3      LYS  23  15.410   9.598  16.512
  171    HG2  LYS  23           HG2      LYS  23  17.766  10.341  14.795
  172    HG3  LYS  23           HG3      LYS  23  17.571  10.843  16.476
  173    HD2  LYS  23           HD2      LYS  23  17.536   8.529  17.196
  174    HD3  LYS  23           HD3      LYS  23  17.616   7.980  15.520
  175    HE2  LYS  23           HE2      LYS  23  19.807   7.818  16.486
  176    HE3  LYS  23           HE3      LYS  23  19.807   9.130  15.308
  177    HZ1  LYS  23           HZ1      LYS  23  20.209   9.220  18.164
  178    HZ2  LYS  23           HZ2      LYS  23  19.160  10.411  17.580
  179    HZ3  LYS  23           HZ3      LYS  23  20.731  10.291  16.963
  180    H    THR  24           H        THR  24  13.881   7.842  12.829
  181    HA   THR  24           HA       THR  24  11.706   7.518  14.778
  182    HB   THR  24           HB       THR  24  11.342   8.378  11.901
  183    HG1  THR  24           HG1      THR  24  10.374   9.804  14.121
  184   HG21  THR  24          HG21      THR  24   9.345   7.385  12.053
  185   HG22  THR  24          HG22      THR  24   8.925   8.608  13.252
  186   HG23  THR  24          HG23      THR  24   9.566   7.049  13.769
  187    H    ASP  25           H        ASP  25  11.384   5.419  15.055
  188    HA   ASP  25           HA       ASP  25  12.377   3.412  13.352
  189    HB2  ASP  25           HB2      ASP  25  10.305   3.323  15.550
  190    HB3  ASP  25           HB3      ASP  25  10.899   1.886  14.722
  191    H    GLY  26           H        GLY  26  11.623   2.630  11.500
  192    HA2  GLY  26           HA2      GLY  26   9.896   1.691  10.152
  193    HA3  GLY  26           HA3      GLY  26   8.732   2.706  10.990
  194    H    TYR  27           H        TYR  27  10.891   4.918  10.604
  195    HA   TYR  27           HA       TYR  27   9.659   6.294   8.549
  196    HB2  TYR  27           HB2      TYR  27  11.233   7.255  10.250
  197    HB3  TYR  27           HB3      TYR  27  12.568   6.577   9.325
  198    HD1  TYR  27           HD1      TYR  27   9.812   9.040   9.233
  199    HD2  TYR  27           HD2      TYR  27  13.378   7.655   7.370
  200    HE1  TYR  27           HE1      TYR  27   9.857  11.060   7.831
  201    HE2  TYR  27           HE2      TYR  27  13.433   9.673   5.964
  202    HH   TYR  27           HH       TYR  27  10.777  11.905   5.848
  203    H    PHE  28           H        PHE  28  12.587   4.290   8.406
  204    HA   PHE  28           HA       PHE  28  13.295   4.699   5.766
  205    HB2  PHE  28           HB2      PHE  28  14.753   3.457   7.207
  206    HB3  PHE  28           HB3      PHE  28  13.528   2.223   7.479
  207    HD1  PHE  28           HD1      PHE  28  13.026   0.568   5.767
  208    HD2  PHE  28           HD2      PHE  28  16.076   3.484   5.205
  209    HE1  PHE  28           HE1      PHE  28  13.931  -0.744   3.892
  210    HE2  PHE  28           HE2      PHE  28  16.984   2.177   3.329
  211    HZ   PHE  28           HZ       PHE  28  15.911   0.060   2.670
  212    H    TYR  29           H        TYR  29  11.010   2.331   7.092
  213    HA   TYR  29           HA       TYR  29  10.347   1.244   4.528
  214    HB2  TYR  29           HB2      TYR  29  10.134  -0.128   6.526
  215    HB3  TYR  29           HB3      TYR  29   8.966   0.998   7.209
  216    HD1  TYR  29           HD1      TYR  29   9.434  -1.016   4.090
  217    HD2  TYR  29           HD2      TYR  29   6.743   0.418   7.057
  218    HE1  TYR  29           HE1      TYR  29   7.607  -2.281   3.036
  219    HE2  TYR  29           HE2      TYR  29   4.908  -0.844   6.012
  220    HH   TYR  29           HH       TYR  29   4.283  -1.941   4.101
  221    H    GLU  30           H        GLU  30   9.259   3.914   6.421
  222    HA   GLU  30           HA       GLU  30   6.685   4.182   5.209
  223    HB2  GLU  30           HB2      GLU  30   7.143   5.127   7.414
  224    HB3  GLU  30           HB3      GLU  30   8.365   6.186   6.725
  225    HG2  GLU  30           HG2      GLU  30   6.294   7.381   7.159
  226    HG3  GLU  30           HG3      GLU  30   6.667   7.345   5.436
  227    H    CYS  31           H        CYS  31   9.730   6.002   4.858
  228    HA   CYS  31           HA       CYS  31   8.853   7.617   2.726
  229    HB2  CYS  31           HB2      CYS  31  11.284   8.031   2.339
  230    HB3  CYS  31           HB3      CYS  31  10.789   8.259   4.014
  231    H    CYS  32           H        CYS  32  10.094   4.375   2.848
  232    HA   CYS  32           HA       CYS  32  10.912   4.102   0.169
  233    HB2  CYS  32           HB2      CYS  32  10.192   2.247   2.379
  234    HB3  CYS  32           HB3      CYS  32  10.183   1.589   0.746
  235    H    THR  33           H        THR  33   7.792   4.195   1.636
  236    HA   THR  33           HA       THR  33   6.573   3.613  -0.981
  237    HB   THR  33           HB       THR  33   4.678   2.546   0.100
  238    HG1  THR  33           HG1      THR  33   6.112   3.083   2.504
  239   HG21  THR  33          HG21      THR  33   5.803   0.527   1.003
  240   HG22  THR  33          HG22      THR  33   7.328   1.413   1.000
  241   HG23  THR  33          HG23      THR  33   6.498   1.081  -0.519
  242    H    SER  34           H        SER  34   7.314   6.104   0.612
  243    HA   SER  34           HA       SER  34   4.698   7.411   0.329
  244    HB2  SER  34           HB2      SER  34   5.317   6.965   2.761
  245    HB3  SER  34           HB3      SER  34   6.632   8.119   2.539
  246    HG   SER  34           HG       SER  34   4.820   9.179   3.354
  247    H    ASP  35           H        ASP  35   5.015   8.623  -1.434
  248    HA   ASP  35           HA       ASP  35   7.497   9.736  -2.206
  249    HB2  ASP  35           HB2      ASP  35   5.543   9.239  -3.725
  250    HB3  ASP  35           HB3      ASP  35   4.763  10.680  -3.079
  251    H    SER  36           H        SER  36   4.812  10.947  -0.308
  252    HA   SER  36           HA       SER  36   5.620  13.673  -0.303
  253    HB2  SER  36           HB2      SER  36   3.818  12.097   1.544
  254    HB3  SER  36           HB3      SER  36   4.067  13.838   1.680
  255    HG   SER  36           HG       SER  36   2.708  12.373  -0.269
  256    H    THR  37           H        THR  37   5.943  11.072   2.108
  257    HA   THR  37           HA       THR  37   7.330  12.483   4.052
  258    HB   THR  37           HB       THR  37   7.814   9.578   3.373
  259    HG1  THR  37           HG1      THR  37   5.741  10.793   4.909
  260   HG21  THR  37          HG21      THR  37   7.701  10.128   6.160
  261   HG22  THR  37          HG22      THR  37   8.797  11.294   5.418
  262   HG23  THR  37          HG23      THR  37   9.074   9.565   5.209
  263    H    PHE  38           H        PHE  38   8.422  11.258   0.998
  264    HA   PHE  38           HA       PHE  38  11.206  11.246   1.556
  265    HB2  PHE  38           HB2      PHE  38   9.913  10.146  -0.407
  266    HB3  PHE  38           HB3      PHE  38  10.066  11.718  -1.184
  267    HD1  PHE  38           HD1      PHE  38  12.086   9.051   0.436
  268    HD2  PHE  38           HD2      PHE  38  11.973  12.230  -2.392
  269    HE1  PHE  38           HE1      PHE  38  14.343   8.443  -0.332
  270    HE2  PHE  38           HE2      PHE  38  14.229  11.627  -3.165
  271    HZ   PHE  38           HZ       PHE  38  15.417   9.731  -2.136
  272    H    LYS  39           H        LYS  39   8.944  13.700   0.523
  273    HA   LYS  39           HA       LYS  39  10.631  15.633  -0.504
  274    HB2  LYS  39           HB2      LYS  39   8.137  15.933   1.172
  275    HB3  LYS  39           HB3      LYS  39   8.937  17.284   0.378
  276    HG2  LYS  39           HG2      LYS  39   8.524  16.321  -1.787
  277    HG3  LYS  39           HG3      LYS  39   7.857  14.862  -1.049
  278    HD2  LYS  39           HD2      LYS  39   6.156  16.423   0.057
  279    HD3  LYS  39           HD3      LYS  39   6.702  17.636  -1.104
  280    HE2  LYS  39           HE2      LYS  39   6.003  16.312  -2.944
  281    HE3  LYS  39           HE3      LYS  39   5.751  14.900  -1.920
  282    HZ1  LYS  39           HZ1      LYS  39   4.110  16.664  -0.776
  283    HZ2  LYS  39           HZ2      LYS  39   3.628  15.583  -1.984
  284    HZ3  LYS  39           HZ3      LYS  39   4.022  17.178  -2.386
  285    H    LYS  40           H        LYS  40   9.619  15.264   2.895
  286    HA   LYS  40           HA       LYS  40  11.183  17.321   3.949
  287    HB2  LYS  40           HB2      LYS  40   9.942  14.846   5.073
  288    HB3  LYS  40           HB3      LYS  40  11.084  15.742   6.066
  289    HG2  LYS  40           HG2      LYS  40   9.131  16.718   6.713
  290    HG3  LYS  40           HG3      LYS  40   9.577  17.784   5.379
  291    HD2  LYS  40           HD2      LYS  40   8.187  16.072   3.958
  292    HD3  LYS  40           HD3      LYS  40   7.450  15.693   5.517
  293    HE2  LYS  40           HE2      LYS  40   7.608  18.430   4.256
  294    HE3  LYS  40           HE3      LYS  40   6.180  17.398   4.297
  295    HZ1  LYS  40           HZ1      LYS  40   6.656  17.471   6.856
  296    HZ2  LYS  40           HZ2      LYS  40   5.795  18.714   6.098
  297    HZ3  LYS  40           HZ3      LYS  40   7.435  18.920   6.462
  298    H    CYS  41           H        CYS  41  11.901  13.837   3.752
  299    HA   CYS  41           HA       CYS  41  14.433  13.883   4.888
  300    HB2  CYS  41           HB2      CYS  41  13.355  11.782   4.462
  301    HB3  CYS  41           HB3      CYS  41  13.289  12.103   2.732
  302    H    GLN  42           H        GLN  42  13.457  14.474   1.543
  303    HA   GLN  42           HA       GLN  42  15.971  14.579   0.357
  304    HB2  GLN  42           HB2      GLN  42  13.322  15.811  -0.263
  305    HB3  GLN  42           HB3      GLN  42  14.734  16.346  -1.165
  306    HG2  GLN  42           HG2      GLN  42  15.164  13.932  -1.714
  307    HG3  GLN  42           HG3      GLN  42  13.583  13.576  -1.022
  308   HE21  GLN  42          HE21      GLN  42  14.749  13.436  -3.798
  309   HE22  GLN  42          HE22      GLN  42  13.601  14.270  -4.784
  310    H    ASP  43           H        ASP  43  14.271  16.952   2.285
  311    HA   ASP  43           HA       ASP  43  15.975  19.148   1.666
  312    HB2  ASP  43           HB2      ASP  43  13.698  19.453   2.557
  313    HB3  ASP  43           HB3      ASP  43  14.197  18.710   4.075
  314    H    LEU  44           H        LEU  44  15.978  16.644   4.134
  315    HA   LEU  44           HA       LEU  44  17.963  17.749   5.799
  316    HB2  LEU  44           HB2      LEU  44  17.440  14.819   5.351
  317    HB3  LEU  44           HB3      LEU  44  18.148  15.576   6.777
  318    HG   LEU  44           HG       LEU  44  15.284  15.855   5.868
  319   HD11  LEU  44          HD11      LEU  44  16.675  13.989   7.666
  320   HD12  LEU  44          HD12      LEU  44  15.154  13.809   6.792
  321   HD13  LEU  44          HD13      LEU  44  15.199  14.707   8.309
  322   HD21  LEU  44          HD21      LEU  44  15.637  17.826   6.985
  323   HD22  LEU  44          HD22      LEU  44  16.892  17.145   8.020
  324   HD23  LEU  44          HD23      LEU  44  15.196  16.770   8.326
  325    H    LEU  45           H        LEU  45  18.206  15.300   3.223
  326    HA   LEU  45           HA       LEU  45  21.054  15.186   3.341
  327    HB2  LEU  45           HB2      LEU  45  19.235  14.309   1.106
  328    HB3  LEU  45           HB3      LEU  45  20.902  13.801   1.369
  329    HG   LEU  45           HG       LEU  45  18.671  13.195   3.300
  330   HD11  LEU  45          HD11      LEU  45  17.967  12.062   1.394
  331   HD12  LEU  45          HD12      LEU  45  18.919  10.857   2.261
  332   HD13  LEU  45          HD13      LEU  45  19.615  11.704   0.879
  333   HD21  LEU  45          HD21      LEU  45  20.671  12.934   4.438
  334   HD22  LEU  45          HD22      LEU  45  21.533  12.374   3.005
  335   HD23  LEU  45          HD23      LEU  45  20.376  11.313   3.809
  336    H    HIS  46           H        HIS  46  18.751  17.152   1.659
  337    HA   HIS  46           HA       HIS  46  20.964  18.463   0.220
  338    HB2  HIS  46           HB2      HIS  46  19.067  17.175  -1.093
  339    HB3  HIS  46           HB3      HIS  46  18.157  18.652  -0.791
  340    HD1  HIS  46           HD1      HIS  46  20.138  20.823  -1.318
  341    HD2  HIS  46           HD2      HIS  46  19.947  17.380  -3.636
  342    HE1  HIS  46           HE1      HIS  46  21.189  21.436  -3.519
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1   0.552  -3.444  -1.223
    2    HA   ALA   1           HA       ALA   1   0.814  -0.669  -2.038
    3    HB1  ALA   1           HB1      ALA   1   2.694  -0.402  -0.292
    4    HB2  ALA   1           HB2      ALA   1   1.020  -0.220   0.232
    5    HB3  ALA   1           HB3      ALA   1   1.885  -1.723   0.552
    6    H    ASP   2           H        ASP   2   3.321  -0.211  -2.282
    7    HA   ASP   2           HA       ASP   2   4.717  -2.597  -3.241
    8    HB2  ASP   2           HB2      ASP   2   3.941  -0.220  -4.910
    9    HB3  ASP   2           HB3      ASP   2   5.371  -1.168  -5.307
   10    H    ASN   3           H        ASN   3   6.905  -2.513  -3.025
   11    HA   ASN   3           HA       ASN   3   7.968  -0.186  -1.611
   12    HB2  ASN   3           HB2      ASN   3   8.649  -3.069  -1.739
   13    HB3  ASN   3           HB3      ASN   3  10.000  -1.958  -1.535
   14   HD21  ASN   3          HD21      ASN   3   8.381  -3.943   0.198
   15   HD22  ASN   3          HD22      ASN   3   8.148  -3.065   1.668
   16    H    LYS   4           H        LYS   4   8.896   1.333  -2.805
   17    HA   LYS   4           HA       LYS   4   9.839   0.863  -5.459
   18    HB2  LYS   4           HB2      LYS   4  10.423   3.295  -3.776
   19    HB3  LYS   4           HB3      LYS   4  10.340   3.188  -5.530
   20    HG2  LYS   4           HG2      LYS   4   8.008   2.848  -3.655
   21    HG3  LYS   4           HG3      LYS   4   8.387   4.310  -4.567
   22    HD2  LYS   4           HD2      LYS   4   6.933   3.402  -6.047
   23    HD3  LYS   4           HD3      LYS   4   8.373   2.527  -6.572
   24    HE2  LYS   4           HE2      LYS   4   7.728   0.571  -5.498
   25    HE3  LYS   4           HE3      LYS   4   6.629   1.415  -4.409
   26    HZ1  LYS   4           HZ1      LYS   4   5.954   0.117  -6.726
   27    HZ2  LYS   4           HZ2      LYS   4   5.872   1.756  -7.133
   28    HZ3  LYS   4           HZ3      LYS   4   4.965   1.161  -5.834
   29    H    CYS   5           H        CYS   5  11.431   1.568  -2.363
   30    HA   CYS   5           HA       CYS   5  14.062   1.647  -3.260
   31    HB2  CYS   5           HB2      CYS   5  14.654   0.966  -0.910
   32    HB3  CYS   5           HB3      CYS   5  13.565   2.344  -1.026
   33    H    GLU   6           H        GLU   6  11.973  -1.078  -2.613
   34    HA   GLU   6           HA       GLU   6  13.882  -3.114  -2.453
   35    HB2  GLU   6           HB2      GLU   6  10.992  -2.946  -3.034
   36    HB3  GLU   6           HB3      GLU   6  11.801  -4.380  -3.649
   37    HG2  GLU   6           HG2      GLU   6  10.750  -4.521  -1.341
   38    HG3  GLU   6           HG3      GLU   6  12.405  -5.102  -1.517
   39    H    ASN   7           H        ASN   7  12.705  -1.307  -5.161
   40    HA   ASN   7           HA       ASN   7  14.079  -3.126  -7.019
   41    HB2  ASN   7           HB2      ASN   7  12.075  -0.941  -7.629
   42    HB3  ASN   7           HB3      ASN   7  12.778  -2.057  -8.796
   43   HD21  ASN   7          HD21      ASN   7  10.145  -1.966  -8.743
   44   HD22  ASN   7          HD22      ASN   7   9.470  -3.356  -7.970
   45    H    SER   8           H        SER   8  14.082   0.068  -5.683
   46    HA   SER   8           HA       SER   8  16.214   0.882  -7.538
   47    HB2  SER   8           HB2      SER   8  14.314   2.476  -5.821
   48    HB3  SER   8           HB3      SER   8  15.748   3.198  -6.551
   49    HG   SER   8           HG       SER   8  14.879   2.340  -8.593
   50    H    LEU   9           H        LEU   9  18.223   0.744  -6.817
   51    HA   LEU   9           HA       LEU   9  18.852   0.156  -4.113
   52    HB2  LEU   9           HB2      LEU   9  21.097   0.065  -4.797
   53    HB3  LEU   9           HB3      LEU   9  20.153  -0.525  -6.164
   54    HG   LEU   9           HG       LEU   9  20.381   2.044  -6.881
   55   HD11  LEU   9          HD11      LEU   9  21.755   3.117  -5.482
   56   HD12  LEU   9          HD12      LEU   9  23.042   2.244  -6.313
   57   HD13  LEU   9          HD13      LEU   9  22.389   1.620  -4.799
   58   HD21  LEU   9          HD21      LEU   9  21.013   0.462  -8.437
   59   HD22  LEU   9          HD22      LEU   9  22.149  -0.322  -7.338
   60   HD23  LEU   9          HD23      LEU   9  22.555   1.234  -8.065
   61    H    ARG  10           H        ARG  10  18.905   3.090  -6.047
   62    HA   ARG  10           HA       ARG  10  20.320   4.694  -4.189
   63    HB2  ARG  10           HB2      ARG  10  18.729   5.146  -6.643
   64    HB3  ARG  10           HB3      ARG  10  18.849   6.511  -5.543
   65    HG2  ARG  10           HG2      ARG  10  21.365   6.120  -5.593
   66    HG3  ARG  10           HG3      ARG  10  21.052   5.071  -6.977
   67    HD2  ARG  10           HD2      ARG  10  19.876   6.986  -8.064
   68    HD3  ARG  10           HD3      ARG  10  20.409   8.005  -6.727
   69    HE   ARG  10           HE       ARG  10  22.612   6.672  -7.907
   70   HH11  ARG  10          HH11      ARG  10  20.376   9.288  -8.437
   71   HH12  ARG  10          HH12      ARG  10  21.470  10.194  -9.429
   72   HH21  ARG  10          HH21      ARG  10  24.060   7.856  -9.212
   73   HH22  ARG  10          HH22      ARG  10  23.565   9.378  -9.870
   74    H    ARG  11           H        ARG  11  16.863   4.176  -4.785
   75    HA   ARG  11           HA       ARG  11  15.898   6.041  -2.921
   76    HB2  ARG  11           HB2      ARG  11  14.485   5.034  -4.654
   77    HB3  ARG  11           HB3      ARG  11  14.630   3.466  -3.871
   78    HG2  ARG  11           HG2      ARG  11  12.565   4.200  -3.157
   79    HG3  ARG  11           HG3      ARG  11  13.617   4.663  -1.817
   80    HD2  ARG  11           HD2      ARG  11  12.467   6.616  -2.101
   81    HD3  ARG  11           HD3      ARG  11  13.816   6.899  -3.200
   82    HE   ARG  11           HE       ARG  11  11.531   5.666  -4.442
   83   HH11  ARG  11          HH11      ARG  11  13.043   8.671  -3.543
   84   HH12  ARG  11          HH12      ARG  11  12.205   9.601  -4.741
   85   HH21  ARG  11          HH21      ARG  11  10.422   6.881  -6.023
   86   HH22  ARG  11          HH22      ARG  11  10.714   8.582  -6.150
   87    H    GLU  12           H        GLU  12  16.969   2.719  -2.577
   88    HA   GLU  12           HA       GLU  12  15.985   2.362   0.075
   89    HB2  GLU  12           HB2      GLU  12  16.683   0.573  -1.665
   90    HB3  GLU  12           HB3      GLU  12  18.315   0.852  -1.073
   91    HG2  GLU  12           HG2      GLU  12  17.216   0.448   1.263
   92    HG3  GLU  12           HG3      GLU  12  15.980  -0.370   0.309
   93    H    ILE  13           H        ILE  13  19.233   3.003  -1.236
   94    HA   ILE  13           HA       ILE  13  20.549   3.209   1.231
   95    HB   ILE  13           HB       ILE  13  21.236   4.580  -1.371
   96   HG12  ILE  13          HG12      ILE  13  22.500   2.077  -0.285
   97   HG13  ILE  13          HG13      ILE  13  21.030   1.998  -1.249
   98   HG21  ILE  13          HG21      ILE  13  22.776   5.640  -0.157
   99   HG22  ILE  13          HG22      ILE  13  22.463   4.637   1.258
  100   HG23  ILE  13          HG23      ILE  13  23.574   4.077   0.008
  101   HD11  ILE  13          HD11      ILE  13  23.679   3.133  -2.110
  102   HD12  ILE  13          HD12      ILE  13  22.951   1.617  -2.643
  103   HD13  ILE  13          HD13      ILE  13  22.203   3.155  -3.076
  104    H    ALA  14           H        ALA  14  18.703   5.537  -0.624
  105    HA   ALA  14           HA       ALA  14  19.522   7.844   0.822
  106    HB1  ALA  14           HB1      ALA  14  17.171   8.631  -0.152
  107    HB2  ALA  14           HB2      ALA  14  18.616   8.497  -1.154
  108    HB3  ALA  14           HB3      ALA  14  17.416   7.204  -1.159
  109    H    CYS  15           H        CYS  15  16.773   5.629   1.105
  110    HA   CYS  15           HA       CYS  15  15.424   7.035   3.145
  111    HB2  CYS  15           HB2      CYS  15  15.287   4.329   1.953
  112    HB3  CYS  15           HB3      CYS  15  14.646   4.481   3.586
  113    H    GLY  16           H        GLY  16  17.839   4.445   3.233
  114    HA2  GLY  16           HA2      GLY  16  17.804   3.880   5.955
  115    HA3  GLY  16           HA3      GLY  16  19.217   3.725   4.921
  116    H    GLN  17           H        GLN  17  19.624   6.392   4.234
  117    HA   GLN  17           HA       GLN  17  21.120   7.313   6.412
  118    HB2  GLN  17           HB2      GLN  17  20.188   8.616   3.868
  119    HB3  GLN  17           HB3      GLN  17  21.110   9.517   5.064
  120    HG2  GLN  17           HG2      GLN  17  22.772   7.522   4.878
  121    HG3  GLN  17           HG3      GLN  17  21.959   7.240   3.339
  122   HE21  GLN  17          HE21      GLN  17  22.540   8.414   1.630
  123   HE22  GLN  17          HE22      GLN  17  23.615   9.765   1.668
  124    H    CYS  18           H        CYS  18  18.125   8.699   5.051
  125    HA   CYS  18           HA       CYS  18  17.729  10.600   7.070
  126    HB2  CYS  18           HB2      CYS  18  15.977   9.324   5.010
  127    HB3  CYS  18           HB3      CYS  18  15.229  10.293   6.276
  128    H    ARG  19           H        ARG  19  16.874   7.213   6.870
  129    HA   ARG  19           HA       ARG  19  14.984   7.054   8.910
  130    HB2  ARG  19           HB2      ARG  19  15.485   5.192   7.398
  131    HB3  ARG  19           HB3      ARG  19  17.077   5.019   8.124
  132    HG2  ARG  19           HG2      ARG  19  15.508   4.808  10.314
  133    HG3  ARG  19           HG3      ARG  19  14.454   4.115   9.079
  134    HD2  ARG  19           HD2      ARG  19  16.541   2.758   8.391
  135    HD3  ARG  19           HD3      ARG  19  17.165   3.207   9.978
  136    HE   ARG  19           HE       ARG  19  14.552   2.115  10.177
  137   HH11  ARG  19          HH11      ARG  19  17.888   1.242   9.696
  138   HH12  ARG  19          HH12      ARG  19  17.702  -0.348  10.357
  139   HH21  ARG  19          HH21      ARG  19  14.295   0.024  11.049
  140   HH22  ARG  19          HH22      ARG  19  15.658  -1.041  11.125
  141    H    ASP  20           H        ASP  20  18.499   7.132   9.054
  142    HA   ASP  20           HA       ASP  20  18.559   6.660  11.903
  143    HB2  ASP  20           HB2      ASP  20  20.364   6.084  10.068
  144    HB3  ASP  20           HB3      ASP  20  20.910   7.727  10.393
  145    H    LYS  21           H        LYS  21  19.418   9.386   9.773
  146    HA   LYS  21           HA       LYS  21  19.998  11.259  11.732
  147    HB2  LYS  21           HB2      LYS  21  18.745  11.674   9.013
  148    HB3  LYS  21           HB3      LYS  21  19.392  12.967  10.013
  149    HG2  LYS  21           HG2      LYS  21  21.129  10.652   9.295
  150    HG3  LYS  21           HG3      LYS  21  20.834  11.930   8.115
  151    HD2  LYS  21           HD2      LYS  21  22.706  12.758   9.142
  152    HD3  LYS  21           HD3      LYS  21  21.455  13.485  10.153
  153    HE2  LYS  21           HE2      LYS  21  21.877  12.081  11.920
  154    HE3  LYS  21           HE3      LYS  21  22.512  10.799  10.889
  155    HZ1  LYS  21           HZ1      LYS  21  24.516  11.507  11.478
  156    HZ2  LYS  21           HZ2      LYS  21  23.904  12.901  12.213
  157    HZ3  LYS  21           HZ3      LYS  21  24.242  12.898  10.556
  158    H    VAL  22           H        VAL  22  16.884  10.846  10.036
  159    HA   VAL  22           HA       VAL  22  15.412  12.696  11.488
  160    HB   VAL  22           HB       VAL  22  14.452  10.101  10.275
  161   HG11  VAL  22          HG11      VAL  22  12.361  11.873  10.183
  162   HG12  VAL  22          HG12      VAL  22  12.546  10.563  11.351
  163   HG13  VAL  22          HG13      VAL  22  13.070  12.195  11.765
  164   HG21  VAL  22          HG21      VAL  22  13.897  11.391   8.336
  165   HG22  VAL  22          HG22      VAL  22  14.348  12.893   9.142
  166   HG23  VAL  22          HG23      VAL  22  15.586  11.705   8.734
  167    H    LYS  23           H        LYS  23  16.511   9.543  12.391
  168    HA   LYS  23           HA       LYS  23  16.337   8.324  14.304
  169    HB2  LYS  23           HB2      LYS  23  15.832  11.115  15.268
  170    HB3  LYS  23           HB3      LYS  23  15.660   9.766  16.383
  171    HG2  LYS  23           HG2      LYS  23  17.905   9.265  16.339
  172    HG3  LYS  23           HG3      LYS  23  18.151  10.022  14.764
  173    HD2  LYS  23           HD2      LYS  23  19.160  11.509  16.249
  174    HD3  LYS  23           HD3      LYS  23  17.569  12.222  15.970
  175    HE2  LYS  23           HE2      LYS  23  17.941  12.336  18.301
  176    HE3  LYS  23           HE3      LYS  23  16.803  11.013  18.051
  177    HZ1  LYS  23           HZ1      LYS  23  18.746  10.624  19.626
  178    HZ2  LYS  23           HZ2      LYS  23  19.711  10.524  18.240
  179    HZ3  LYS  23           HZ3      LYS  23  18.439   9.430  18.467
  180    H    THR  24           H        THR  24  14.227   7.946  12.696
  181    HA   THR  24           HA       THR  24  12.002   7.684  14.599
  182    HB   THR  24           HB       THR  24  11.726   8.536  11.710
  183    HG1  THR  24           HG1      THR  24  10.745   9.988  13.910
  184   HG21  THR  24          HG21      THR  24   9.744   7.483  11.860
  185   HG22  THR  24          HG22      THR  24   9.272   8.841  12.881
  186   HG23  THR  24          HG23      THR  24   9.845   7.343  13.614
  187    H    ASP  25           H        ASP  25  11.623   5.595  14.882
  188    HA   ASP  25           HA       ASP  25  12.597   3.562  13.185
  189    HB2  ASP  25           HB2      ASP  25  11.654   3.636  15.742
  190    HB3  ASP  25           HB3      ASP  25  10.311   2.859  14.909
  191    H    GLY  26           H        GLY  26  11.722   2.507  11.495
  192    HA2  GLY  26           HA2      GLY  26  10.001   1.682  10.125
  193    HA3  GLY  26           HA3      GLY  26   8.864   2.732  10.957
  194    H    TYR  27           H        TYR  27  11.047   4.904  10.505
  195    HA   TYR  27           HA       TYR  27   9.817   6.266   8.444
  196    HB2  TYR  27           HB2      TYR  27  11.488   7.170  10.123
  197    HB3  TYR  27           HB3      TYR  27  12.756   6.516   9.093
  198    HD1  TYR  27           HD1      TYR  27  13.186   7.485   6.883
  199    HD2  TYR  27           HD2      TYR  27  10.247   9.135   9.480
  200    HE1  TYR  27           HE1      TYR  27  13.146   9.536   5.525
  201    HE2  TYR  27           HE2      TYR  27  10.198  11.190   8.129
  202    HH   TYR  27           HH       TYR  27  11.574  12.398   6.565
  203    H    PHE  28           H        PHE  28  12.677   4.171   8.284
  204    HA   PHE  28           HA       PHE  28  13.355   4.520   5.626
  205    HB2  PHE  28           HB2      PHE  28  14.807   3.259   7.047
  206    HB3  PHE  28           HB3      PHE  28  13.548   2.076   7.387
  207    HD1  PHE  28           HD1      PHE  28  12.947   0.390   5.741
  208    HD2  PHE  28           HD2      PHE  28  16.067   3.190   5.004
  209    HE1  PHE  28           HE1      PHE  28  13.753  -1.003   3.880
  210    HE2  PHE  28           HE2      PHE  28  16.877   1.803   3.141
  211    HZ   PHE  28           HZ       PHE  28  15.721  -0.297   2.577
  212    H    TYR  29           H        TYR  29  11.050   2.209   7.023
  213    HA   TYR  29           HA       TYR  29  10.298   1.134   4.478
  214    HB2  TYR  29           HB2      TYR  29  10.154  -0.058   6.722
  215    HB3  TYR  29           HB3      TYR  29   8.726   0.919   7.046
  216    HD1  TYR  29           HD1      TYR  29   6.660   0.556   5.796
  217    HD2  TYR  29           HD2      TYR  29  10.098  -1.854   5.103
  218    HE1  TYR  29           HE1      TYR  29   5.265  -1.079   4.599
  219    HE2  TYR  29           HE2      TYR  29   8.713  -3.495   3.904
  220    HH   TYR  29           HH       TYR  29   5.849  -3.991   4.119
  221    H    GLU  30           H        GLU  30   9.348   3.850   6.360
  222    HA   GLU  30           HA       GLU  30   6.728   4.156   5.249
  223    HB2  GLU  30           HB2      GLU  30   7.249   5.122   7.415
  224    HB3  GLU  30           HB3      GLU  30   8.518   6.108   6.704
  225    HG2  GLU  30           HG2      GLU  30   6.550   7.439   7.133
  226    HG3  GLU  30           HG3      GLU  30   6.846   7.321   5.399
  227    H    CYS  31           H        CYS  31   9.797   5.908   4.766
  228    HA   CYS  31           HA       CYS  31   8.878   7.515   2.647
  229    HB2  CYS  31           HB2      CYS  31  11.303   7.868   2.167
  230    HB3  CYS  31           HB3      CYS  31  10.871   8.133   3.853
  231    H    CYS  32           H        CYS  32  10.048   4.247   2.765
  232    HA   CYS  32           HA       CYS  32  10.785   3.911   0.076
  233    HB2  CYS  32           HB2      CYS  32  10.017   2.105   2.313
  234    HB3  CYS  32           HB3      CYS  32   9.972   1.437   0.684
  235    H    THR  33           H        THR  33   7.708   4.223   1.570
  236    HA   THR  33           HA       THR  33   6.418   3.694  -1.018
  237    HB   THR  33           HB       THR  33   4.555   2.583   0.007
  238    HG1  THR  33           HG1      THR  33   5.877   3.152   2.467
  239   HG21  THR  33          HG21      THR  33   5.534   0.540   0.524
  240   HG22  THR  33          HG22      THR  33   6.890   1.289   1.368
  241   HG23  THR  33          HG23      THR  33   6.805   1.349  -0.392
  242    H    SER  34           H        SER  34   7.251   6.109   0.642
  243    HA   SER  34           HA       SER  34   4.657   7.482   0.477
  244    HB2  SER  34           HB2      SER  34   5.165   7.046   2.853
  245    HB3  SER  34           HB3      SER  34   6.706   7.884   2.672
  246    HG   SER  34           HG       SER  34   4.139   9.031   2.268
  247    H    ASP  35           H        ASP  35   4.981   8.664  -1.320
  248    HA   ASP  35           HA       ASP  35   7.457   9.786  -2.095
  249    HB2  ASP  35           HB2      ASP  35   5.325   9.287  -3.506
  250    HB3  ASP  35           HB3      ASP  35   4.818  10.897  -3.001
  251    H    SER  36           H        SER  36   4.879  10.901  -0.050
  252    HA   SER  36           HA       SER  36   5.582  13.665  -0.094
  253    HB2  SER  36           HB2      SER  36   4.216  13.558   2.162
  254    HB3  SER  36           HB3      SER  36   3.398  13.371   0.611
  255    HG   SER  36           HG       SER  36   2.885  11.758   2.253
  256    H    THR  37           H        THR  37   6.161  11.034   2.228
  257    HA   THR  37           HA       THR  37   7.576  12.466   4.139
  258    HB   THR  37           HB       THR  37   7.986   9.586   3.309
  259    HG1  THR  37           HG1      THR  37   6.399  10.735   5.383
  260   HG21  THR  37          HG21      THR  37   8.676   9.507   5.836
  261   HG22  THR  37          HG22      THR  37   9.034  11.215   5.584
  262   HG23  THR  37          HG23      THR  37   9.849   9.991   4.611
  263    H    PHE  38           H        PHE  38   8.573  11.330   1.009
  264    HA   PHE  38           HA       PHE  38  11.376  11.478   1.420
  265    HB2  PHE  38           HB2      PHE  38   9.950  10.387  -0.516
  266    HB3  PHE  38           HB3      PHE  38  10.174  11.959  -1.275
  267    HD1  PHE  38           HD1      PHE  38  11.857   8.931  -0.075
  268    HD2  PHE  38           HD2      PHE  38  12.315  12.649  -2.095
  269    HE1  PHE  38           HE1      PHE  38  14.083   8.229  -0.856
  270    HE2  PHE  38           HE2      PHE  38  14.540  11.953  -2.880
  271    HZ   PHE  38           HZ       PHE  38  15.427   9.740  -2.262
  272    H    LYS  39           H        LYS  39   8.929  13.810   0.537
  273    HA   LYS  39           HA       LYS  39  10.433  15.847  -0.557
  274    HB2  LYS  39           HB2      LYS  39   8.063  16.019   1.309
  275    HB3  LYS  39           HB3      LYS  39   8.717  17.392   0.425
  276    HG2  LYS  39           HG2      LYS  39   7.999  16.587  -1.620
  277    HG3  LYS  39           HG3      LYS  39   7.884  14.924  -1.039
  278    HD2  LYS  39           HD2      LYS  39   5.663  15.509  -1.116
  279    HD3  LYS  39           HD3      LYS  39   6.058  15.937   0.551
  280    HE2  LYS  39           HE2      LYS  39   6.404  17.992  -1.577
  281    HE3  LYS  39           HE3      LYS  39   4.772  17.610  -1.030
  282    HZ1  LYS  39           HZ1      LYS  39   6.168  17.890   1.281
  283    HZ2  LYS  39           HZ2      LYS  39   5.172  19.067   0.585
  284    HZ3  LYS  39           HZ3      LYS  39   6.838  19.091   0.295
  285    H    LYS  40           H        LYS  40   9.693  15.360   2.896
  286    HA   LYS  40           HA       LYS  40  11.319  17.488   3.806
  287    HB2  LYS  40           HB2      LYS  40  10.166  15.057   5.162
  288    HB3  LYS  40           HB3      LYS  40  11.162  16.220   6.027
  289    HG2  LYS  40           HG2      LYS  40   8.972  16.880   6.469
  290    HG3  LYS  40           HG3      LYS  40   9.515  17.986   5.204
  291    HD2  LYS  40           HD2      LYS  40   8.272  16.867   3.548
  292    HD3  LYS  40           HD3      LYS  40   8.022  15.454   4.575
  293    HE2  LYS  40           HE2      LYS  40   6.992  18.065   5.541
  294    HE3  LYS  40           HE3      LYS  40   6.141  17.297   4.202
  295    HZ1  LYS  40           HZ1      LYS  40   5.131  16.011   5.672
  296    HZ2  LYS  40           HZ2      LYS  40   6.027  16.673   6.945
  297    HZ3  LYS  40           HZ3      LYS  40   6.618  15.329   6.104
  298    H    CYS  41           H        CYS  41  11.873  13.982   3.615
  299    HA   CYS  41           HA       CYS  41  14.406  13.896   4.751
  300    HB2  CYS  41           HB2      CYS  41  13.242  11.850   4.311
  301    HB3  CYS  41           HB3      CYS  41  13.163  12.197   2.586
  302    H    GLN  42           H        GLN  42  13.404  14.907   1.568
  303    HA   GLN  42           HA       GLN  42  15.948  14.811   0.325
  304    HB2  GLN  42           HB2      GLN  42  13.364  16.205  -0.282
  305    HB3  GLN  42           HB3      GLN  42  14.808  16.584  -1.212
  306    HG2  GLN  42           HG2      GLN  42  14.007  13.736  -0.879
  307    HG3  GLN  42           HG3      GLN  42  13.128  14.754  -2.020
  308   HE21  GLN  42          HE21      GLN  42  14.176  15.530  -3.843
  309   HE22  GLN  42          HE22      GLN  42  15.680  14.881  -4.390
  310    H    ASP  43           H        ASP  43  14.277  17.227   2.241
  311    HA   ASP  43           HA       ASP  43  16.058  19.371   1.686
  312    HB2  ASP  43           HB2      ASP  43  13.672  19.444   2.694
  313    HB3  ASP  43           HB3      ASP  43  14.475  19.132   4.230
  314    H    LEU  44           H        LEU  44  16.032  16.763   4.014
  315    HA   LEU  44           HA       LEU  44  18.037  17.823   5.729
  316    HB2  LEU  44           HB2      LEU  44  17.491  14.898   5.352
  317    HB3  LEU  44           HB3      LEU  44  18.029  15.740   6.805
  318    HG   LEU  44           HG       LEU  44  15.270  15.883   5.590
  319   HD11  LEU  44          HD11      LEU  44  14.535  14.552   7.394
  320   HD12  LEU  44          HD12      LEU  44  16.088  14.677   8.219
  321   HD13  LEU  44          HD13      LEU  44  15.952  13.736   6.734
  322   HD21  LEU  44          HD21      LEU  44  14.948  16.924   8.006
  323   HD22  LEU  44          HD22      LEU  44  15.383  17.914   6.613
  324   HD23  LEU  44          HD23      LEU  44  16.628  17.397   7.752
  325    H    LEU  45           H        LEU  45  18.134  15.360   3.157
  326    HA   LEU  45           HA       LEU  45  20.946  15.006   3.275
  327    HB2  LEU  45           HB2      LEU  45  19.012  14.416   1.039
  328    HB3  LEU  45           HB3      LEU  45  20.673  13.836   1.131
  329    HG   LEU  45           HG       LEU  45  18.456  13.107   3.045
  330   HD11  LEU  45          HD11      LEU  45  19.700  11.618   0.743
  331   HD12  LEU  45          HD12      LEU  45  18.012  12.090   0.937
  332   HD13  LEU  45          HD13      LEU  45  18.709  10.857   1.988
  333   HD21  LEU  45          HD21      LEU  45  20.698  13.121   4.060
  334   HD22  LEU  45          HD22      LEU  45  21.263  12.029   2.796
  335   HD23  LEU  45          HD23      LEU  45  20.028  11.494   3.937
  336    H    HIS  46           H        HIS  46  18.871  17.258   1.635
  337    HA   HIS  46           HA       HIS  46  20.944  18.170  -0.169
  338    HB2  HIS  46           HB2      HIS  46  18.566  18.160  -0.859
  339    HB3  HIS  46           HB3      HIS  46  18.213  19.347   0.394
  340    HD1  HIS  46           HD1      HIS  46  17.515  21.214  -1.177
  341    HD2  HIS  46           HD2      HIS  46  21.313  19.733  -1.981
  342    HE1  HIS  46           HE1      HIS  46  18.526  22.817  -2.829
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1  -0.117   0.816  -0.424
    2    HA   ALA   1           HA       ALA   1   2.360   0.768   0.508
    3    HB1  ALA   1           HB1      ALA   1   0.623  -1.660   0.889
    4    HB2  ALA   1           HB2      ALA   1   1.795  -0.973   2.014
    5    HB3  ALA   1           HB3      ALA   1   0.299  -0.108   1.662
    6    H    ASP   2           H        ASP   2   3.164   0.455  -1.951
    7    HA   ASP   2           HA       ASP   2   4.087  -2.330  -2.208
    8    HB2  ASP   2           HB2      ASP   2   2.726  -1.065  -4.081
    9    HB3  ASP   2           HB3      ASP   2   4.300  -0.369  -4.456
   10    H    ASN   3           H        ASN   3   6.205  -2.771  -2.090
   11    HA   ASN   3           HA       ASN   3   8.020  -0.776  -1.199
   12    HB2  ASN   3           HB2      ASN   3   8.136  -3.687  -1.766
   13    HB3  ASN   3           HB3      ASN   3   9.666  -2.816  -1.806
   14   HD21  ASN   3          HD21      ASN   3  10.486  -1.934   0.072
   15   HD22  ASN   3          HD22      ASN   3   9.869  -2.339   1.634
   16    H    LYS   4           H        LYS   4   8.790   0.756  -2.492
   17    HA   LYS   4           HA       LYS   4   9.321   0.144  -5.305
   18    HB2  LYS   4           HB2      LYS   4   9.483   2.852  -3.991
   19    HB3  LYS   4           HB3      LYS   4   9.316   2.489  -5.704
   20    HG2  LYS   4           HG2      LYS   4   7.229   1.959  -3.598
   21    HG3  LYS   4           HG3      LYS   4   7.234   3.319  -4.723
   22    HD2  LYS   4           HD2      LYS   4   7.233   0.435  -5.597
   23    HD3  LYS   4           HD3      LYS   4   5.764   1.389  -5.381
   24    HE2  LYS   4           HE2      LYS   4   6.869   3.073  -6.975
   25    HE3  LYS   4           HE3      LYS   4   7.974   1.759  -7.377
   26    HZ1  LYS   4           HZ1      LYS   4   5.017   1.663  -7.637
   27    HZ2  LYS   4           HZ2      LYS   4   6.084   0.413  -8.037
   28    HZ3  LYS   4           HZ3      LYS   4   6.110   1.860  -8.913
   29    H    CYS   5           H        CYS   5  10.912   1.166  -2.348
   30    HA   CYS   5           HA       CYS   5  13.424   1.789  -3.500
   31    HB2  CYS   5           HB2      CYS   5  14.282   1.691  -1.212
   32    HB3  CYS   5           HB3      CYS   5  12.757   2.570  -1.264
   33    H    GLU   6           H        GLU   6  11.882  -1.182  -2.634
   34    HA   GLU   6           HA       GLU   6  14.063  -2.858  -2.225
   35    HB2  GLU   6           HB2      GLU   6  11.863  -3.680  -1.791
   36    HB3  GLU   6           HB3      GLU   6  11.360  -3.392  -3.451
   37    HG2  GLU   6           HG2      GLU   6  11.696  -5.746  -3.094
   38    HG3  GLU   6           HG3      GLU   6  12.915  -5.132  -4.210
   39    H    ASN   7           H        ASN   7  12.765  -1.519  -5.171
   40    HA   ASN   7           HA       ASN   7  14.565  -3.168  -6.790
   41    HB2  ASN   7           HB2      ASN   7  12.143  -1.511  -7.387
   42    HB3  ASN   7           HB3      ASN   7  13.301  -1.836  -8.674
   43   HD21  ASN   7          HD21      ASN   7  10.761  -2.720  -8.923
   44   HD22  ASN   7          HD22      ASN   7  10.706  -4.440  -8.771
   45    H    SER   8           H        SER   8  14.037   0.102  -5.709
   46    HA   SER   8           HA       SER   8  16.139   1.130  -7.455
   47    HB2  SER   8           HB2      SER   8  14.107   2.480  -7.222
   48    HB3  SER   8           HB3      SER   8  14.345   2.559  -5.476
   49    HG   SER   8           HG       SER   8  15.530   4.006  -7.472
   50    H    LEU   9           H        LEU   9  18.169   0.961  -6.796
   51    HA   LEU   9           HA       LEU   9  18.922   0.384  -4.129
   52    HB2  LEU   9           HB2      LEU   9  21.151   0.438  -4.891
   53    HB3  LEU   9           HB3      LEU   9  20.188  -0.209  -6.218
   54    HG   LEU   9           HG       LEU   9  20.232   2.362  -6.950
   55   HD11  LEU   9          HD11      LEU   9  22.326   2.086  -4.935
   56   HD12  LEU   9          HD12      LEU   9  21.590   3.534  -5.619
   57   HD13  LEU   9          HD13      LEU   9  22.900   2.722  -6.476
   58   HD21  LEU   9          HD21      LEU   9  22.449   1.660  -8.173
   59   HD22  LEU   9          HD22      LEU   9  20.917   0.871  -8.549
   60   HD23  LEU   9          HD23      LEU   9  22.076   0.083  -7.477
   61    H    ARG  10           H        ARG  10  18.784   3.352  -6.012
   62    HA   ARG  10           HA       ARG  10  20.174   4.985  -4.158
   63    HB2  ARG  10           HB2      ARG  10  18.494   5.416  -6.562
   64    HB3  ARG  10           HB3      ARG  10  18.616   6.767  -5.443
   65    HG2  ARG  10           HG2      ARG  10  21.134   6.459  -5.586
   66    HG3  ARG  10           HG3      ARG  10  20.812   5.406  -6.965
   67    HD2  ARG  10           HD2      ARG  10  19.923   7.148  -8.240
   68    HD3  ARG  10           HD3      ARG  10  19.662   8.169  -6.826
   69    HE   ARG  10           HE       ARG  10  22.095   7.889  -8.344
   70   HH11  ARG  10          HH11      ARG  10  20.685   8.826  -5.302
   71   HH12  ARG  10          HH12      ARG  10  22.002   9.863  -4.862
   72   HH21  ARG  10          HH21      ARG  10  23.834   9.251  -7.776
   73   HH22  ARG  10          HH22      ARG  10  23.792  10.105  -6.271
   74    H    ARG  11           H        ARG  11  16.729   4.329  -4.691
   75    HA   ARG  11           HA       ARG  11  15.727   6.119  -2.774
   76    HB2  ARG  11           HB2      ARG  11  14.412   4.933  -4.572
   77    HB3  ARG  11           HB3      ARG  11  14.474   3.490  -3.567
   78    HG2  ARG  11           HG2      ARG  11  12.415   4.385  -3.043
   79    HG3  ARG  11           HG3      ARG  11  13.439   5.003  -1.745
   80    HD2  ARG  11           HD2      ARG  11  12.157   6.842  -2.466
   81    HD3  ARG  11           HD3      ARG  11  13.754   7.072  -3.177
   82    HE   ARG  11           HE       ARG  11  12.401   5.769  -5.119
   83   HH11  ARG  11          HH11      ARG  11  11.721   8.616  -3.235
   84   HH12  ARG  11          HH12      ARG  11  10.790   9.378  -4.482
   85   HH21  ARG  11          HH21      ARG  11  11.178   6.762  -6.769
   86   HH22  ARG  11          HH22      ARG  11  10.481   8.322  -6.491
   87    H    GLU  12           H        GLU  12  16.884   2.809  -2.517
   88    HA   GLU  12           HA       GLU  12  16.002   2.407   0.164
   89    HB2  GLU  12           HB2      GLU  12  16.663   0.652  -1.630
   90    HB3  GLU  12           HB3      GLU  12  18.308   0.937  -1.078
   91    HG2  GLU  12           HG2      GLU  12  17.262   0.490   1.281
   92    HG3  GLU  12           HG3      GLU  12  16.023  -0.337   0.339
   93    H    ILE  13           H        ILE  13  19.186   3.119  -1.262
   94    HA   ILE  13           HA       ILE  13  20.576   3.318   1.175
   95    HB   ILE  13           HB       ILE  13  21.196   4.665  -1.456
   96   HG12  ILE  13          HG12      ILE  13  22.482   2.169  -0.377
   97   HG13  ILE  13          HG13      ILE  13  20.992   2.087  -1.311
   98   HG21  ILE  13          HG21      ILE  13  23.565   4.159  -0.115
   99   HG22  ILE  13          HG22      ILE  13  22.782   5.727  -0.310
  100   HG23  ILE  13          HG23      ILE  13  22.481   4.765   1.137
  101   HD11  ILE  13          HD11      ILE  13  22.177   3.309  -3.139
  102   HD12  ILE  13          HD12      ILE  13  23.665   3.115  -2.212
  103   HD13  ILE  13          HD13      ILE  13  22.797   1.695  -2.793
  104    H    ALA  14           H        ALA  14  18.653   5.614  -0.630
  105    HA   ALA  14           HA       ALA  14  19.520   7.946   0.747
  106    HB1  ALA  14           HB1      ALA  14  17.279   8.851  -0.157
  107    HB2  ALA  14           HB2      ALA  14  18.531   8.384  -1.308
  108    HB3  ALA  14           HB3      ALA  14  17.172   7.304  -0.997
  109    H    CYS  15           H        CYS  15  16.946   5.603   1.271
  110    HA   CYS  15           HA       CYS  15  15.699   7.087   3.381
  111    HB2  CYS  15           HB2      CYS  15  15.358   4.388   2.164
  112    HB3  CYS  15           HB3      CYS  15  14.714   4.645   3.782
  113    H    GLY  16           H        GLY  16  18.002   4.414   3.190
  114    HA2  GLY  16           HA2      GLY  16  18.089   3.644   5.852
  115    HA3  GLY  16           HA3      GLY  16  19.457   3.568   4.752
  116    H    GLN  17           H        GLN  17  19.843   6.290   4.271
  117    HA   GLN  17           HA       GLN  17  21.356   7.012   6.554
  118    HB2  GLN  17           HB2      GLN  17  20.603   8.557   4.072
  119    HB3  GLN  17           HB3      GLN  17  21.692   9.177   5.306
  120    HG2  GLN  17           HG2      GLN  17  22.987   6.958   4.882
  121    HG3  GLN  17           HG3      GLN  17  22.103   6.962   3.356
  122   HE21  GLN  17          HE21      GLN  17  23.145   7.862   1.744
  123   HE22  GLN  17          HE22      GLN  17  24.315   9.127   1.858
  124    H    CYS  18           H        CYS  18  18.482   8.527   5.082
  125    HA   CYS  18           HA       CYS  18  18.072  10.480   7.023
  126    HB2  CYS  18           HB2      CYS  18  16.390   9.166   4.958
  127    HB3  CYS  18           HB3      CYS  18  15.544  10.035   6.234
  128    H    ARG  19           H        ARG  19  17.231   7.089   6.999
  129    HA   ARG  19           HA       ARG  19  15.325   7.015   9.023
  130    HB2  ARG  19           HB2      ARG  19  15.777   5.055   7.704
  131    HB3  ARG  19           HB3      ARG  19  17.444   5.003   8.262
  132    HG2  ARG  19           HG2      ARG  19  16.674   4.503  10.526
  133    HG3  ARG  19           HG3      ARG  19  15.001   4.556   9.965
  134    HD2  ARG  19           HD2      ARG  19  15.111   2.492   9.110
  135    HD3  ARG  19           HD3      ARG  19  16.685   2.791   8.374
  136    HE   ARG  19           HE       ARG  19  16.168   1.485  10.867
  137   HH11  ARG  19          HH11      ARG  19  18.483   3.388   9.096
  138   HH12  ARG  19          HH12      ARG  19  19.845   2.804   9.994
  139   HH21  ARG  19          HH21      ARG  19  17.953   0.709  12.056
  140   HH22  ARG  19          HH22      ARG  19  19.543   1.280  11.677
  141    H    ASP  20           H        ASP  20  18.834   7.170   9.208
  142    HA   ASP  20           HA       ASP  20  18.879   6.845  12.074
  143    HB2  ASP  20           HB2      ASP  20  20.992   7.500  10.025
  144    HB3  ASP  20           HB3      ASP  20  21.330   7.496  11.754
  145    H    LYS  21           H        LYS  21  18.902   9.476   9.774
  146    HA   LYS  21           HA       LYS  21  19.670  11.505  11.627
  147    HB2  LYS  21           HB2      LYS  21  18.476  11.502   8.873
  148    HB3  LYS  21           HB3      LYS  21  18.579  12.999   9.791
  149    HG2  LYS  21           HG2      LYS  21  20.958  11.240   9.262
  150    HG3  LYS  21           HG3      LYS  21  20.465  12.551   8.187
  151    HD2  LYS  21           HD2      LYS  21  20.649  14.123  10.095
  152    HD3  LYS  21           HD3      LYS  21  21.253  12.796  11.090
  153    HE2  LYS  21           HE2      LYS  21  23.236  13.701  10.408
  154    HE3  LYS  21           HE3      LYS  21  22.969  12.550   9.099
  155    HZ1  LYS  21           HZ1      LYS  21  23.431  15.201   8.793
  156    HZ2  LYS  21           HZ2      LYS  21  21.750  15.107   8.629
  157    HZ3  LYS  21           HZ3      LYS  21  22.751  14.186   7.623
  158    H    VAL  22           H        VAL  22  16.534  10.868  10.040
  159    HA   VAL  22           HA       VAL  22  14.982  12.617  11.506
  160    HB   VAL  22           HB       VAL  22  14.079   9.899  10.549
  161   HG11  VAL  22          HG11      VAL  22  12.717  12.275  11.622
  162   HG12  VAL  22          HG12      VAL  22  11.996  11.581  10.168
  163   HG13  VAL  22          HG13      VAL  22  12.214  10.585  11.608
  164   HG21  VAL  22          HG21      VAL  22  14.513  10.590   8.482
  165   HG22  VAL  22          HG22      VAL  22  13.331  11.878   8.710
  166   HG23  VAL  22          HG23      VAL  22  15.032  12.170   9.069
  167    H    LYS  23           H        LYS  23  16.253   9.510  12.427
  168    HA   LYS  23           HA       LYS  23  16.224   8.341  14.378
  169    HB2  LYS  23           HB2      LYS  23  15.729  11.147  15.310
  170    HB3  LYS  23           HB3      LYS  23  15.681   9.820  16.462
  171    HG2  LYS  23           HG2      LYS  23  18.034   9.952  14.678
  172    HG3  LYS  23           HG3      LYS  23  17.896  11.194  15.925
  173    HD2  LYS  23           HD2      LYS  23  19.134   9.446  16.908
  174    HD3  LYS  23           HD3      LYS  23  17.502   9.293  17.564
  175    HE2  LYS  23           HE2      LYS  23  18.145   7.788  15.087
  176    HE3  LYS  23           HE3      LYS  23  18.850   7.215  16.597
  177    HZ1  LYS  23           HZ1      LYS  23  16.276   6.780  15.654
  178    HZ2  LYS  23           HZ2      LYS  23  16.122   7.804  16.991
  179    HZ3  LYS  23           HZ3      LYS  23  16.918   6.320  17.150
  180    H    THR  24           H        THR  24  14.031   7.860  12.941
  181    HA   THR  24           HA       THR  24  11.995   7.476  15.000
  182    HB   THR  24           HB       THR  24  11.351   8.652  12.288
  183    HG1  THR  24           HG1      THR  24  10.851  10.499  13.436
  184   HG21  THR  24          HG21      THR  24   9.619   7.704  14.561
  185   HG22  THR  24          HG22      THR  24   9.563   7.216  12.867
  186   HG23  THR  24          HG23      THR  24   9.042   8.833  13.337
  187    H    ASP  25           H        ASP  25  11.461   5.402  15.030
  188    HA   ASP  25           HA       ASP  25  12.311   3.548  13.087
  189    HB2  ASP  25           HB2      ASP  25  12.012   2.661  15.235
  190    HB3  ASP  25           HB3      ASP  25  10.423   3.397  15.420
  191    H    GLY  26           H        GLY  26  11.215   2.439  11.484
  192    HA2  GLY  26           HA2      GLY  26   9.435   1.904  10.074
  193    HA3  GLY  26           HA3      GLY  26   8.419   3.024  10.969
  194    H    TYR  27           H        TYR  27  11.015   4.827  10.446
  195    HA   TYR  27           HA       TYR  27   9.816   6.409   8.448
  196    HB2  TYR  27           HB2      TYR  27  11.480   7.163  10.207
  197    HB3  TYR  27           HB3      TYR  27  12.739   6.455   9.202
  198    HD1  TYR  27           HD1      TYR  27  10.234   9.140   9.434
  199    HD2  TYR  27           HD2      TYR  27  13.462   7.529   7.178
  200    HE1  TYR  27           HE1      TYR  27  10.360  11.225   8.137
  201    HE2  TYR  27           HE2      TYR  27  13.598   9.611   5.875
  202    HH   TYR  27           HH       TYR  27  11.686  11.568   5.329
  203    H    PHE  28           H        PHE  28  12.678   4.294   8.319
  204    HA   PHE  28           HA       PHE  28  13.342   4.630   5.657
  205    HB2  PHE  28           HB2      PHE  28  14.818   3.410   7.094
  206    HB3  PHE  28           HB3      PHE  28  13.584   2.200   7.433
  207    HD1  PHE  28           HD1      PHE  28  13.023   0.500   5.785
  208    HD2  PHE  28           HD2      PHE  28  16.090   3.361   5.060
  209    HE1  PHE  28           HE1      PHE  28  13.867  -0.879   3.930
  210    HE2  PHE  28           HE2      PHE  28  16.937   1.987   3.203
  211    HZ   PHE  28           HZ       PHE  28  15.827  -0.136   2.637
  212    H    TYR  29           H        TYR  29  11.053   2.326   7.083
  213    HA   TYR  29           HA       TYR  29  10.334   1.180   4.560
  214    HB2  TYR  29           HB2      TYR  29  10.161  -0.083   6.672
  215    HB3  TYR  29           HB3      TYR  29   8.912   1.027   7.227
  216    HD1  TYR  29           HD1      TYR  29   9.691  -1.716   4.920
  217    HD2  TYR  29           HD2      TYR  29   6.662   0.910   6.345
  218    HE1  TYR  29           HE1      TYR  29   7.977  -3.126   3.858
  219    HE2  TYR  29           HE2      TYR  29   4.940  -0.493   5.288
  220    HH   TYR  29           HH       TYR  29   4.537  -2.256   4.000
  221    H    GLU  30           H        GLU  30   9.326   3.922   6.385
  222    HA   GLU  30           HA       GLU  30   6.728   4.185   5.212
  223    HB2  GLU  30           HB2      GLU  30   7.246   5.172   7.393
  224    HB3  GLU  30           HB3      GLU  30   8.447   6.217   6.646
  225    HG2  GLU  30           HG2      GLU  30   6.618   7.605   6.896
  226    HG3  GLU  30           HG3      GLU  30   6.499   7.087   5.216
  227    H    CYS  31           H        CYS  31   9.786   5.968   4.781
  228    HA   CYS  31           HA       CYS  31   8.904   7.549   2.631
  229    HB2  CYS  31           HB2      CYS  31  11.339   7.899   2.188
  230    HB3  CYS  31           HB3      CYS  31  10.875   8.184   3.862
  231    H    CYS  32           H        CYS  32  10.083   4.285   2.793
  232    HA   CYS  32           HA       CYS  32  10.858   3.936   0.114
  233    HB2  CYS  32           HB2      CYS  32  10.098   2.147   2.363
  234    HB3  CYS  32           HB3      CYS  32  10.047   1.459   0.743
  235    H    THR  33           H        THR  33   7.759   4.200   1.584
  236    HA   THR  33           HA       THR  33   6.502   3.642  -1.016
  237    HB   THR  33           HB       THR  33   4.661   2.500  -0.023
  238    HG1  THR  33           HG1      THR  33   4.156   3.143   1.930
  239   HG21  THR  33          HG21      THR  33   7.166   1.450   1.299
  240   HG22  THR  33          HG22      THR  33   6.710   1.154  -0.379
  241   HG23  THR  33          HG23      THR  33   5.705   0.534   0.931
  242    H    SER  34           H        SER  34   7.300   6.087   0.619
  243    HA   SER  34           HA       SER  34   4.703   7.443   0.388
  244    HB2  SER  34           HB2      SER  34   6.679   7.749   2.661
  245    HB3  SER  34           HB3      SER  34   5.292   8.806   2.398
  246    HG   SER  34           HG       SER  34   3.965   7.256   3.031
  247    H    ASP  35           H        ASP  35   5.034   8.663  -1.370
  248    HA   ASP  35           HA       ASP  35   7.526   9.761  -2.132
  249    HB2  ASP  35           HB2      ASP  35   5.588   9.303  -3.668
  250    HB3  ASP  35           HB3      ASP  35   4.789  10.718  -2.987
  251    H    SER  36           H        SER  36   4.869  10.963  -0.196
  252    HA   SER  36           HA       SER  36   5.663  13.687  -0.170
  253    HB2  SER  36           HB2      SER  36   3.380  12.939   0.423
  254    HB3  SER  36           HB3      SER  36   4.022  12.170   1.874
  255    HG   SER  36           HG       SER  36   3.508  14.822   1.363
  256    H    THR  37           H        THR  37   6.052  11.084   2.232
  257    HA   THR  37           HA       THR  37   7.516  12.498   4.119
  258    HB   THR  37           HB       THR  37   7.768   9.567   3.415
  259    HG1  THR  37           HG1      THR  37   6.306  10.632   5.586
  260   HG21  THR  37          HG21      THR  37   9.117  11.230   5.381
  261   HG22  THR  37          HG22      THR  37   9.453   9.570   4.887
  262   HG23  THR  37          HG23      THR  37   8.239   9.894   6.125
  263    H    PHE  38           H        PHE  38   8.493  11.230   1.045
  264    HA   PHE  38           HA       PHE  38  11.291  11.175   1.511
  265    HB2  PHE  38           HB2      PHE  38   9.946  10.072  -0.396
  266    HB3  PHE  38           HB3      PHE  38  10.039  11.644  -1.185
  267    HD1  PHE  38           HD1      PHE  38  12.256   9.143   0.469
  268    HD2  PHE  38           HD2      PHE  38  11.795  12.047  -2.608
  269    HE1  PHE  38           HE1      PHE  38  14.483   8.565  -0.405
  270    HE2  PHE  38           HE2      PHE  38  14.020  11.473  -3.488
  271    HZ   PHE  38           HZ       PHE  38  15.367   9.730  -2.387
  272    H    LYS  39           H        LYS  39   9.040  13.665   0.543
  273    HA   LYS  39           HA       LYS  39  10.736  15.563  -0.541
  274    HB2  LYS  39           HB2      LYS  39   8.280  15.903   1.182
  275    HB3  LYS  39           HB3      LYS  39   9.088  17.246   0.384
  276    HG2  LYS  39           HG2      LYS  39   8.706  16.111  -1.790
  277    HG3  LYS  39           HG3      LYS  39   7.770  14.883  -0.935
  278    HD2  LYS  39           HD2      LYS  39   6.212  16.450  -1.805
  279    HD3  LYS  39           HD3      LYS  39   6.319  16.752  -0.069
  280    HE2  LYS  39           HE2      LYS  39   7.894  18.592  -0.513
  281    HE3  LYS  39           HE3      LYS  39   7.720  18.305  -2.243
  282    HZ1  LYS  39           HZ1      LYS  39   5.840  19.458  -2.285
  283    HZ2  LYS  39           HZ2      LYS  39   6.184  19.971  -0.710
  284    HZ3  LYS  39           HZ3      LYS  39   5.193  18.623  -0.962
  285    H    LYS  40           H        LYS  40   9.791  15.233   2.881
  286    HA   LYS  40           HA       LYS  40  11.418  17.268   3.887
  287    HB2  LYS  40           HB2      LYS  40  10.193  14.806   5.073
  288    HB3  LYS  40           HB3      LYS  40  11.323  15.757   6.029
  289    HG2  LYS  40           HG2      LYS  40   9.261  16.612   6.635
  290    HG3  LYS  40           HG3      LYS  40   9.825  17.757   5.415
  291    HD2  LYS  40           HD2      LYS  40   8.499  16.502   3.720
  292    HD3  LYS  40           HD3      LYS  40   7.849  15.510   5.028
  293    HE2  LYS  40           HE2      LYS  40   7.097  17.688   6.098
  294    HE3  LYS  40           HE3      LYS  40   7.474  18.457   4.557
  295    HZ1  LYS  40           HZ1      LYS  40   5.107  17.307   5.209
  296    HZ2  LYS  40           HZ2      LYS  40   5.851  16.106   4.279
  297    HZ3  LYS  40           HZ3      LYS  40   5.627  17.654   3.637
  298    H    CYS  41           H        CYS  41  12.061  13.768   3.706
  299    HA   CYS  41           HA       CYS  41  14.617  13.774   4.787
  300    HB2  CYS  41           HB2      CYS  41  13.510  11.687   4.417
  301    HB3  CYS  41           HB3      CYS  41  13.370  11.997   2.689
  302    H    GLN  42           H        GLN  42  13.581  14.355   1.459
  303    HA   GLN  42           HA       GLN  42  16.073  14.397   0.220
  304    HB2  GLN  42           HB2      GLN  42  13.442  15.695  -0.361
  305    HB3  GLN  42           HB3      GLN  42  14.850  16.149  -1.312
  306    HG2  GLN  42           HG2      GLN  42  15.156  13.642  -1.712
  307    HG3  GLN  42           HG3      GLN  42  13.506  13.481  -1.112
  308   HE21  GLN  42          HE21      GLN  42  11.812  14.173  -2.357
  309   HE22  GLN  42          HE22      GLN  42  11.986  14.663  -4.004
  310    H    ASP  43           H        ASP  43  14.395  16.887   2.050
  311    HA   ASP  43           HA       ASP  43  16.203  18.991   1.409
  312    HB2  ASP  43           HB2      ASP  43  13.809  19.188   2.315
  313    HB3  ASP  43           HB3      ASP  43  14.511  18.867   3.899
  314    H    LEU  44           H        LEU  44  15.922  16.730   4.118
  315    HA   LEU  44           HA       LEU  44  17.872  17.771   5.792
  316    HB2  LEU  44           HB2      LEU  44  17.324  14.844   5.334
  317    HB3  LEU  44           HB3      LEU  44  18.028  15.577   6.774
  318    HG   LEU  44           HG       LEU  44  15.179  15.820   5.815
  319   HD11  LEU  44          HD11      LEU  44  16.526  13.986   7.530
  320   HD12  LEU  44          HD12      LEU  44  14.818  14.051   7.097
  321   HD13  LEU  44          HD13      LEU  44  15.409  14.955   8.491
  322   HD21  LEU  44          HD21      LEU  44  16.665  17.255   7.997
  323   HD22  LEU  44          HD22      LEU  44  14.913  17.054   8.024
  324   HD23  LEU  44          HD23      LEU  44  15.680  17.938   6.704
  325    H    LEU  45           H        LEU  45  18.259  15.291   3.262
  326    HA   LEU  45           HA       LEU  45  21.091  15.160   3.545
  327    HB2  LEU  45           HB2      LEU  45  19.399  14.305   1.203
  328    HB3  LEU  45           HB3      LEU  45  21.045  13.786   1.557
  329    HG   LEU  45           HG       LEU  45  18.751  13.200   3.410
  330   HD11  LEU  45          HD11      LEU  45  19.522  11.875   0.870
  331   HD12  LEU  45          HD12      LEU  45  17.938  12.046   1.625
  332   HD13  LEU  45          HD13      LEU  45  19.082  10.851   2.237
  333   HD21  LEU  45          HD21      LEU  45  21.381  13.004   3.862
  334   HD22  LEU  45          HD22      LEU  45  21.105  11.438   3.099
  335   HD23  LEU  45          HD23      LEU  45  20.202  11.886   4.547
  336    H    HIS  46           H        HIS  46  18.917  17.161   1.741
  337    HA   HIS  46           HA       HIS  46  20.927  18.108  -0.103
  338    HB2  HIS  46           HB2      HIS  46  18.566  17.985  -0.781
  339    HB3  HIS  46           HB3      HIS  46  18.145  19.155   0.466
  340    HD1  HIS  46           HD1      HIS  46  19.108  21.617   0.110
  341    HD2  HIS  46           HD2      HIS  46  19.411  19.065  -3.154
  342    HE1  HIS  46           HE1      HIS  46  19.555  23.105  -1.867
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1   0.929  -1.014   1.135
    2    HA   ALA   1           HA       ALA   1   1.361   0.149  -1.470
    3    HB1  ALA   1           HB1      ALA   1   1.475   1.403   0.724
    4    HB2  ALA   1           HB2      ALA   1   3.027   0.609   0.990
    5    HB3  ALA   1           HB3      ALA   1   2.808   1.675  -0.398
    6    H    ASP   2           H        ASP   2   3.257   0.039  -2.693
    7    HA   ASP   2           HA       ASP   2   4.740  -2.448  -2.354
    8    HB2  ASP   2           HB2      ASP   2   4.425  -0.497  -4.623
    9    HB3  ASP   2           HB3      ASP   2   5.688  -1.725  -4.646
   10    H    ASN   3           H        ASN   3   7.017  -2.554  -2.352
   11    HA   ASN   3           HA       ASN   3   8.268  -0.397  -0.927
   12    HB2  ASN   3           HB2      ASN   3   9.004  -3.170  -1.708
   13    HB3  ASN   3           HB3      ASN   3  10.326  -2.047  -1.404
   14   HD21  ASN   3          HD21      ASN   3  10.647  -3.748   0.303
   15   HD22  ASN   3          HD22      ASN   3   9.886  -3.472   1.830
   16    H    LYS   4           H        LYS   4   8.481   1.373  -2.238
   17    HA   LYS   4           HA       LYS   4   9.289   1.360  -4.920
   18    HB2  LYS   4           HB2      LYS   4   9.705   3.552  -2.879
   19    HB3  LYS   4           HB3      LYS   4   9.725   3.745  -4.627
   20    HG2  LYS   4           HG2      LYS   4   7.295   2.609  -3.338
   21    HG3  LYS   4           HG3      LYS   4   7.598   4.344  -3.223
   22    HD2  LYS   4           HD2      LYS   4   7.588   2.818  -5.822
   23    HD3  LYS   4           HD3      LYS   4   6.170   3.637  -5.164
   24    HE2  LYS   4           HE2      LYS   4   6.877   5.452  -6.250
   25    HE3  LYS   4           HE3      LYS   4   8.150   5.559  -5.035
   26    HZ1  LYS   4           HZ1      LYS   4   8.639   5.426  -7.630
   27    HZ2  LYS   4           HZ2      LYS   4   8.646   3.772  -7.278
   28    HZ3  LYS   4           HZ3      LYS   4   9.705   4.813  -6.468
   29    H    CYS   5           H        CYS   5  11.100   1.072  -1.987
   30    HA   CYS   5           HA       CYS   5  13.636   1.787  -3.134
   31    HB2  CYS   5           HB2      CYS   5  12.867   0.450  -0.536
   32    HB3  CYS   5           HB3      CYS   5  14.534   0.797  -0.985
   33    H    GLU   6           H        GLU   6  11.778  -1.134  -2.716
   34    HA   GLU   6           HA       GLU   6  13.783  -3.051  -3.027
   35    HB2  GLU   6           HB2      GLU   6  11.602  -3.749  -2.348
   36    HB3  GLU   6           HB3      GLU   6  10.867  -3.078  -3.797
   37    HG2  GLU   6           HG2      GLU   6  10.965  -5.475  -3.963
   38    HG3  GLU   6           HG3      GLU   6  12.046  -4.750  -5.152
   39    H    ASN   7           H        ASN   7  12.182  -1.016  -5.362
   40    HA   ASN   7           HA       ASN   7  13.454  -2.442  -7.580
   41    HB2  ASN   7           HB2      ASN   7  11.992  -1.242  -9.040
   42    HB3  ASN   7           HB3      ASN   7  11.016  -1.788  -7.680
   43   HD21  ASN   7          HD21      ASN   7  12.615   0.962  -9.132
   44   HD22  ASN   7          HD22      ASN   7  11.688   2.173  -8.320
   45    H    SER   8           H        SER   8  13.649   0.484  -5.738
   46    HA   SER   8           HA       SER   8  15.712   1.512  -7.573
   47    HB2  SER   8           HB2      SER   8  13.838   2.931  -5.684
   48    HB3  SER   8           HB3      SER   8  15.279   3.715  -6.331
   49    HG   SER   8           HG       SER   8  14.070   4.139  -7.989
   50    H    LEU   9           H        LEU   9  17.684   1.026  -6.885
   51    HA   LEU   9           HA       LEU   9  18.303   0.327  -4.209
   52    HB2  LEU   9           HB2      LEU   9  20.516   0.039  -4.938
   53    HB3  LEU   9           HB3      LEU   9  19.500  -0.419  -6.303
   54    HG   LEU   9           HG       LEU   9  19.955   2.118  -6.981
   55   HD11  LEU   9          HD11      LEU   9  22.210   1.350  -5.160
   56   HD12  LEU   9          HD12      LEU   9  21.287   2.851  -5.213
   57   HD13  LEU   9          HD13      LEU   9  22.444   2.483  -6.492
   58   HD21  LEU   9          HD21      LEU   9  22.117   0.101  -7.471
   59   HD22  LEU   9          HD22      LEU   9  21.453   1.310  -8.570
   60   HD23  LEU   9          HD23      LEU   9  20.501  -0.113  -8.143
   61    H    ARG  10           H        ARG  10  18.596   3.291  -6.075
   62    HA   ARG  10           HA       ARG  10  20.193   4.712  -4.219
   63    HB2  ARG  10           HB2      ARG  10  18.546   5.394  -6.593
   64    HB3  ARG  10           HB3      ARG  10  18.899   6.702  -5.472
   65    HG2  ARG  10           HG2      ARG  10  21.256   6.393  -5.754
   66    HG3  ARG  10           HG3      ARG  10  20.994   4.937  -6.717
   67    HD2  ARG  10           HD2      ARG  10  19.837   7.570  -7.558
   68    HD3  ARG  10           HD3      ARG  10  21.512   7.160  -7.926
   69    HE   ARG  10           HE       ARG  10  19.666   5.116  -8.711
   70   HH11  ARG  10          HH11      ARG  10  21.110   8.143  -9.645
   71   HH12  ARG  10          HH12      ARG  10  20.887   7.876 -11.342
   72   HH21  ARG  10          HH21      ARG  10  19.366   4.753 -10.943
   73   HH22  ARG  10          HH22      ARG  10  19.893   5.948 -12.079
   74    H    ARG  11           H        ARG  11  16.739   4.205  -4.539
   75    HA   ARG  11           HA       ARG  11  15.893   6.217  -2.746
   76    HB2  ARG  11           HB2      ARG  11  14.501   4.849  -4.427
   77    HB3  ARG  11           HB3      ARG  11  14.438   3.618  -3.173
   78    HG2  ARG  11           HG2      ARG  11  12.471   4.800  -2.868
   79    HG3  ARG  11           HG3      ARG  11  13.553   5.499  -1.662
   80    HD2  ARG  11           HD2      ARG  11  12.666   7.399  -2.596
   81    HD3  ARG  11           HD3      ARG  11  14.108   7.186  -3.587
   82    HE   ARG  11           HE       ARG  11  11.964   5.838  -4.795
   83   HH11  ARG  11          HH11      ARG  11  13.050   9.074  -4.112
   84   HH12  ARG  11          HH12      ARG  11  12.246   9.772  -5.479
   85   HH21  ARG  11          HH21      ARG  11  10.901   6.745  -6.598
   86   HH22  ARG  11          HH22      ARG  11  11.023   8.447  -6.891
   87    H    GLU  12           H        GLU  12  16.969   2.908  -2.296
   88    HA   GLU  12           HA       GLU  12  16.156   2.682   0.421
   89    HB2  GLU  12           HB2      GLU  12  16.522   0.667  -0.807
   90    HB3  GLU  12           HB3      GLU  12  18.153   1.156  -1.246
   91    HG2  GLU  12           HG2      GLU  12  18.999   0.700   0.856
   92    HG3  GLU  12           HG3      GLU  12  17.417   0.800   1.626
   93    H    ILE  13           H        ILE  13  19.325   3.272  -1.094
   94    HA   ILE  13           HA       ILE  13  20.819   3.578   1.229
   95    HB   ILE  13           HB       ILE  13  21.209   5.019  -1.398
   96   HG12  ILE  13          HG12      ILE  13  22.589   2.509  -0.453
   97   HG13  ILE  13          HG13      ILE  13  21.106   2.463  -1.401
   98   HG21  ILE  13          HG21      ILE  13  22.632   5.139   1.105
   99   HG22  ILE  13          HG22      ILE  13  23.672   4.535  -0.184
  100   HG23  ILE  13          HG23      ILE  13  22.859   6.090  -0.363
  101   HD11  ILE  13          HD11      ILE  13  22.701   2.240  -3.027
  102   HD12  ILE  13          HD12      ILE  13  22.453   3.987  -3.034
  103   HD13  ILE  13          HD13      ILE  13  23.847   3.297  -2.202
  104    H    ALA  14           H        ALA  14  18.772   5.878  -0.465
  105    HA   ALA  14           HA       ALA  14  19.596   8.173   0.996
  106    HB1  ALA  14           HB1      ALA  14  17.194   8.931   0.159
  107    HB2  ALA  14           HB2      ALA  14  18.578   8.826  -0.930
  108    HB3  ALA  14           HB3      ALA  14  17.394   7.520  -0.880
  109    H    CYS  15           H        CYS  15  16.801   5.992   1.285
  110    HA   CYS  15           HA       CYS  15  15.642   7.295   3.505
  111    HB2  CYS  15           HB2      CYS  15  15.319   4.647   2.179
  112    HB3  CYS  15           HB3      CYS  15  14.673   4.829   3.806
  113    H    GLY  16           H        GLY  16  17.976   4.660   3.228
  114    HA2  GLY  16           HA2      GLY  16  18.048   3.763   5.845
  115    HA3  GLY  16           HA3      GLY  16  19.436   3.779   4.767
  116    H    GLN  17           H        GLN  17  19.761   6.530   4.436
  117    HA   GLN  17           HA       GLN  17  21.229   7.170   6.767
  118    HB2  GLN  17           HB2      GLN  17  20.432   8.844   4.384
  119    HB3  GLN  17           HB3      GLN  17  21.507   9.410   5.655
  120    HG2  GLN  17           HG2      GLN  17  23.045   7.555   5.137
  121    HG3  GLN  17           HG3      GLN  17  21.985   7.080   3.812
  122   HE21  GLN  17          HE21      GLN  17  23.514   7.418   2.234
  123   HE22  GLN  17          HE22      GLN  17  24.061   8.993   1.779
  124    H    CYS  18           H        CYS  18  18.315   8.681   5.371
  125    HA   CYS  18           HA       CYS  18  17.834  10.496   7.427
  126    HB2  CYS  18           HB2      CYS  18  16.206   9.264   5.271
  127    HB3  CYS  18           HB3      CYS  18  15.325  10.025   6.593
  128    H    ARG  19           H        ARG  19  17.096   7.089   7.184
  129    HA   ARG  19           HA       ARG  19  15.191   6.853   9.208
  130    HB2  ARG  19           HB2      ARG  19  15.621   4.994   7.757
  131    HB3  ARG  19           HB3      ARG  19  17.307   4.926   8.252
  132    HG2  ARG  19           HG2      ARG  19  16.596   4.280  10.515
  133    HG3  ARG  19           HG3      ARG  19  14.918   4.292   9.970
  134    HD2  ARG  19           HD2      ARG  19  15.133   2.347   8.835
  135    HD3  ARG  19           HD3      ARG  19  16.795   2.688   8.356
  136    HE   ARG  19           HE       ARG  19  17.516   1.522  10.183
  137   HH11  ARG  19          HH11      ARG  19  14.163   2.351  10.624
  138   HH12  ARG  19          HH12      ARG  19  13.986   1.412  12.069
  139   HH21  ARG  19          HH21      ARG  19  17.295   0.282  12.084
  140   HH22  ARG  19          HH22      ARG  19  15.768   0.236  12.899
  141    H    ASP  20           H        ASP  20  18.702   7.016   9.364
  142    HA   ASP  20           HA       ASP  20  18.772   6.491  12.202
  143    HB2  ASP  20           HB2      ASP  20  20.599   5.908  10.486
  144    HB3  ASP  20           HB3      ASP  20  21.043   7.611  10.572
  145    H    LYS  21           H        LYS  21  19.579   9.288  10.142
  146    HA   LYS  21           HA       LYS  21  20.069  11.128  12.159
  147    HB2  LYS  21           HB2      LYS  21  19.112  11.377   9.331
  148    HB3  LYS  21           HB3      LYS  21  19.175  12.805  10.355
  149    HG2  LYS  21           HG2      LYS  21  21.563  11.029  10.056
  150    HG3  LYS  21           HG3      LYS  21  21.189  12.266   8.854
  151    HD2  LYS  21           HD2      LYS  21  21.122  13.929  10.736
  152    HD3  LYS  21           HD3      LYS  21  21.751  12.659  11.789
  153    HE2  LYS  21           HE2      LYS  21  23.737  12.465  10.412
  154    HE3  LYS  21           HE3      LYS  21  23.098  13.655   9.280
  155    HZ1  LYS  21           HZ1      LYS  21  23.189  15.322  11.006
  156    HZ2  LYS  21           HZ2      LYS  21  24.714  14.618  10.813
  157    HZ3  LYS  21           HZ3      LYS  21  23.744  14.186  12.130
  158    H    VAL  22           H        VAL  22  17.016  10.717  10.354
  159    HA   VAL  22           HA       VAL  22  15.474  12.481  11.852
  160    HB   VAL  22           HB       VAL  22  14.566   9.953  10.468
  161   HG11  VAL  22          HG11      VAL  22  13.133  12.051  11.935
  162   HG12  VAL  22          HG12      VAL  22  12.478  11.687  10.337
  163   HG13  VAL  22          HG13      VAL  22  12.643  10.405  11.537
  164   HG21  VAL  22          HG21      VAL  22  15.811  11.728   9.122
  165   HG22  VAL  22          HG22      VAL  22  14.224  11.235   8.531
  166   HG23  VAL  22          HG23      VAL  22  14.406  12.757   9.403
  167    H    LYS  23           H        LYS  23  16.579   9.295  12.608
  168    HA   LYS  23           HA       LYS  23  16.261   7.906  14.386
  169    HB2  LYS  23           HB2      LYS  23  15.900  10.629  15.615
  170    HB3  LYS  23           HB3      LYS  23  15.808   9.167  16.588
  171    HG2  LYS  23           HG2      LYS  23  18.111   8.626  15.503
  172    HG3  LYS  23           HG3      LYS  23  18.151  10.361  15.182
  173    HD2  LYS  23           HD2      LYS  23  17.909  10.850  17.529
  174    HD3  LYS  23           HD3      LYS  23  17.683   9.139  17.901
  175    HE2  LYS  23           HE2      LYS  23  20.178  10.245  16.627
  176    HE3  LYS  23           HE3      LYS  23  19.979  10.070  18.370
  177    HZ1  LYS  23           HZ1      LYS  23  19.615   7.793  16.516
  178    HZ2  LYS  23           HZ2      LYS  23  19.864   7.753  18.188
  179    HZ3  LYS  23           HZ3      LYS  23  21.130   8.193  17.155
  180    H    THR  24           H        THR  24  14.143   7.693  12.841
  181    HA   THR  24           HA       THR  24  11.904   7.558  14.738
  182    HB   THR  24           HB       THR  24  11.687   8.499  11.872
  183    HG1  THR  24           HG1      THR  24  10.726  10.355  13.151
  184   HG21  THR  24          HG21      THR  24   9.570   7.942  13.951
  185   HG22  THR  24          HG22      THR  24   9.771   7.146  12.390
  186   HG23  THR  24          HG23      THR  24   9.281   8.838  12.460
  187    H    ASP  25           H        ASP  25  11.377   5.495  14.972
  188    HA   ASP  25           HA       ASP  25  12.204   3.435  13.239
  189    HB2  ASP  25           HB2      ASP  25  11.300   3.489  15.781
  190    HB3  ASP  25           HB3      ASP  25   9.845   2.931  14.959
  191    H    GLY  26           H        GLY  26  11.246   2.431  11.551
  192    HA2  GLY  26           HA2      GLY  26   9.528   1.803  10.099
  193    HA3  GLY  26           HA3      GLY  26   8.430   2.853  10.982
  194    H    TYR  27           H        TYR  27  10.912   4.820  10.544
  195    HA   TYR  27           HA       TYR  27   9.682   6.385   8.577
  196    HB2  TYR  27           HB2      TYR  27  11.339   7.172  10.303
  197    HB3  TYR  27           HB3      TYR  27  12.611   6.460   9.316
  198    HD1  TYR  27           HD1      TYR  27  10.100   9.141   9.507
  199    HD2  TYR  27           HD2      TYR  27  13.340   7.512   7.280
  200    HE1  TYR  27           HE1      TYR  27  10.231  11.215   8.192
  201    HE2  TYR  27           HE2      TYR  27  13.480   9.583   5.960
  202    HH   TYR  27           HH       TYR  27  11.281  12.307   6.574
  203    H    PHE  28           H        PHE  28  12.525   4.260   8.356
  204    HA   PHE  28           HA       PHE  28  13.187   4.679   5.705
  205    HB2  PHE  28           HB2      PHE  28  14.640   3.381   7.103
  206    HB3  PHE  28           HB3      PHE  28  13.386   2.177   7.384
  207    HD1  PHE  28           HD1      PHE  28  15.862   3.448   5.016
  208    HD2  PHE  28           HD2      PHE  28  12.864   0.510   5.720
  209    HE1  PHE  28           HE1      PHE  28  16.697   2.142   3.104
  210    HE2  PHE  28           HE2      PHE  28  13.694  -0.800   3.811
  211    HZ   PHE  28           HZ       PHE  28  15.613   0.015   2.500
  212    H    TYR  29           H        TYR  29  10.860   2.369   7.058
  213    HA   TYR  29           HA       TYR  29  10.113   1.322   4.501
  214    HB2  TYR  29           HB2      TYR  29   9.918   0.231   6.865
  215    HB3  TYR  29           HB3      TYR  29   8.386   1.095   6.944
  216    HD1  TYR  29           HD1      TYR  29   6.580   0.557   5.336
  217    HD2  TYR  29           HD2      TYR  29  10.178  -1.708   5.493
  218    HE1  TYR  29           HE1      TYR  29   5.490  -1.252   4.075
  219    HE2  TYR  29           HE2      TYR  29   9.099  -3.522   4.231
  220    HH   TYR  29           HH       TYR  29   7.245  -3.879   2.741
  221    H    GLU  30           H        GLU  30   9.126   3.998   6.452
  222    HA   GLU  30           HA       GLU  30   6.546   4.358   5.282
  223    HB2  GLU  30           HB2      GLU  30   7.218   5.257   7.513
  224    HB3  GLU  30           HB3      GLU  30   8.268   6.404   6.692
  225    HG2  GLU  30           HG2      GLU  30   6.415   7.688   7.045
  226    HG3  GLU  30           HG3      GLU  30   6.078   7.061   5.433
  227    H    CYS  31           H        CYS  31   9.716   5.885   4.786
  228    HA   CYS  31           HA       CYS  31   8.797   7.575   2.673
  229    HB2  CYS  31           HB2      CYS  31  11.207   8.047   2.325
  230    HB3  CYS  31           HB3      CYS  31  10.713   8.240   4.004
  231    H    CYS  32           H        CYS  32  10.077   4.353   2.880
  232    HA   CYS  32           HA       CYS  32  10.791   4.116   0.120
  233    HB2  CYS  32           HB2      CYS  32  10.540   2.237   2.431
  234    HB3  CYS  32           HB3      CYS  32  10.599   1.570   0.803
  235    H    THR  33           H        THR  33   7.873   3.789   1.938
  236    HA   THR  33           HA       THR  33   6.520   2.479  -0.313
  237    HB   THR  33           HB       THR  33   4.597   2.250   1.278
  238    HG1  THR  33           HG1      THR  33   4.908   2.774   3.417
  239   HG21  THR  33          HG21      THR  33   5.575   0.233   1.372
  240   HG22  THR  33          HG22      THR  33   6.237   0.770   2.916
  241   HG23  THR  33          HG23      THR  33   7.194   0.926   1.444
  242    H    SER  34           H        SER  34   6.797   5.487   1.362
  243    HA   SER  34           HA       SER  34   4.626   6.595  -0.297
  244    HB2  SER  34           HB2      SER  34   4.414   6.544   2.324
  245    HB3  SER  34           HB3      SER  34   5.497   7.933   2.240
  246    HG   SER  34           HG       SER  34   2.886   7.893   1.863
  247    H    ASP  35           H        ASP  35   5.358   7.866  -1.851
  248    HA   ASP  35           HA       ASP  35   8.030   8.778  -2.003
  249    HB2  ASP  35           HB2      ASP  35   7.359   9.910  -4.027
  250    HB3  ASP  35           HB3      ASP  35   6.561   8.340  -3.972
  251    H    SER  36           H        SER  36   5.027  10.297  -0.977
  252    HA   SER  36           HA       SER  36   5.836  12.955  -0.888
  253    HB2  SER  36           HB2      SER  36   4.100  11.906   1.305
  254    HB3  SER  36           HB3      SER  36   3.914  13.358   0.323
  255    HG   SER  36           HG       SER  36   2.568  11.250  -0.018
  256    H    THR  37           H        THR  37   6.001  10.508   1.694
  257    HA   THR  37           HA       THR  37   7.169  12.072   3.667
  258    HB   THR  37           HB       THR  37   7.630   9.126   3.154
  259    HG1  THR  37           HG1      THR  37   5.409   9.789   3.466
  260   HG21  THR  37          HG21      THR  37   9.185   9.430   4.768
  261   HG22  THR  37          HG22      THR  37   7.781   9.440   5.836
  262   HG23  THR  37          HG23      THR  37   8.489  10.962   5.296
  263    H    PHE  38           H        PHE  38   8.564  10.707   0.803
  264    HA   PHE  38           HA       PHE  38  11.285  10.815   1.614
  265    HB2  PHE  38           HB2      PHE  38  10.251   9.521  -0.359
  266    HB3  PHE  38           HB3      PHE  38  10.348  11.044  -1.238
  267    HD1  PHE  38           HD1      PHE  38  12.496   8.808   0.835
  268    HD2  PHE  38           HD2      PHE  38  12.229  11.460  -2.483
  269    HE1  PHE  38           HE1      PHE  38  14.839   8.322   0.263
  270    HE2  PHE  38           HE2      PHE  38  14.572  10.978  -3.061
  271    HZ   PHE  38           HZ       PHE  38  15.880   9.408  -1.687
  272    H    LYS  39           H        LYS  39   9.064  13.118   0.212
  273    HA   LYS  39           HA       LYS  39  10.776  15.033  -0.797
  274    HB2  LYS  39           HB2      LYS  39   8.152  15.371   0.659
  275    HB3  LYS  39           HB3      LYS  39   8.976  16.685  -0.169
  276    HG2  LYS  39           HG2      LYS  39   8.906  15.106  -2.221
  277    HG3  LYS  39           HG3      LYS  39   7.643  14.271  -1.315
  278    HD2  LYS  39           HD2      LYS  39   7.542  17.240  -1.724
  279    HD3  LYS  39           HD3      LYS  39   6.960  16.132  -2.969
  280    HE2  LYS  39           HE2      LYS  39   5.195  15.415  -1.697
  281    HE3  LYS  39           HE3      LYS  39   6.023  15.733  -0.174
  282    HZ1  LYS  39           HZ1      LYS  39   5.791  18.185  -0.895
  283    HZ2  LYS  39           HZ2      LYS  39   4.446  17.390  -0.247
  284    HZ3  LYS  39           HZ3      LYS  39   4.574  17.609  -1.920
  285    H    LYS  40           H        LYS  40   9.504  14.857   2.529
  286    HA   LYS  40           HA       LYS  40  10.879  17.026   3.584
  287    HB2  LYS  40           HB2      LYS  40   9.656  14.562   4.703
  288    HB3  LYS  40           HB3      LYS  40  10.776  15.435   5.741
  289    HG2  LYS  40           HG2      LYS  40   8.473  16.120   6.132
  290    HG3  LYS  40           HG3      LYS  40   9.443  17.456   5.509
  291    HD2  LYS  40           HD2      LYS  40   8.014  15.794   3.517
  292    HD3  LYS  40           HD3      LYS  40   7.026  16.838   4.542
  293    HE2  LYS  40           HE2      LYS  40   8.892  18.605   3.872
  294    HE3  LYS  40           HE3      LYS  40   9.036  17.544   2.472
  295    HZ1  LYS  40           HZ1      LYS  40   6.581  18.930   3.400
  296    HZ2  LYS  40           HZ2      LYS  40   6.620  17.804   2.139
  297    HZ3  LYS  40           HZ3      LYS  40   7.463  19.263   1.996
  298    H    CYS  41           H        CYS  41  11.855  13.604   3.517
  299    HA   CYS  41           HA       CYS  41  14.309  13.894   4.816
  300    HB2  CYS  41           HB2      CYS  41  13.400  11.701   4.478
  301    HB3  CYS  41           HB3      CYS  41  13.398  11.909   2.730
  302    H    GLN  42           H        GLN  42  13.505  14.110   1.371
  303    HA   GLN  42           HA       GLN  42  16.039  14.338   0.298
  304    HB2  GLN  42           HB2      GLN  42  13.393  15.510  -0.506
  305    HB3  GLN  42           HB3      GLN  42  14.849  15.866  -1.426
  306    HG2  GLN  42           HG2      GLN  42  13.897  13.074  -0.856
  307    HG3  GLN  42           HG3      GLN  42  13.444  13.984  -2.296
  308   HE21  GLN  42          HE21      GLN  42  14.850  14.141  -3.957
  309   HE22  GLN  42          HE22      GLN  42  16.410  13.399  -3.985
  310    H    ASP  43           H        ASP  43  14.104  16.757   1.948
  311    HA   ASP  43           HA       ASP  43  15.771  18.973   1.300
  312    HB2  ASP  43           HB2      ASP  43  13.483  19.373   1.951
  313    HB3  ASP  43           HB3      ASP  43  13.734  18.566   3.496
  314    H    LEU  44           H        LEU  44  15.591  16.742   4.033
  315    HA   LEU  44           HA       LEU  44  17.400  18.010   5.739
  316    HB2  LEU  44           HB2      LEU  44  16.927  15.053   5.390
  317    HB3  LEU  44           HB3      LEU  44  17.705  15.814   6.775
  318    HG   LEU  44           HG       LEU  44  14.812  16.051   5.960
  319   HD11  LEU  44          HD11      LEU  44  14.304  14.755   7.812
  320   HD12  LEU  44          HD12      LEU  44  15.871  15.040   8.569
  321   HD13  LEU  44          HD13      LEU  44  15.749  13.972   7.171
  322   HD21  LEU  44          HD21      LEU  44  16.310  17.413   8.195
  323   HD22  LEU  44          HD22      LEU  44  14.557  17.409   7.998
  324   HD23  LEU  44          HD23      LEU  44  15.579  18.192   6.792
  325    H    LEU  45           H        LEU  45  18.005  15.434   3.353
  326    HA   LEU  45           HA       LEU  45  20.806  15.383   3.728
  327    HB2  LEU  45           HB2      LEU  45  19.354  14.614   1.210
  328    HB3  LEU  45           HB3      LEU  45  20.898  14.001   1.799
  329    HG   LEU  45           HG       LEU  45  18.162  13.427   2.931
  330   HD11  LEU  45          HD11      LEU  45  18.221  11.487   1.824
  331   HD12  LEU  45          HD12      LEU  45  19.932  11.233   2.169
  332   HD13  LEU  45          HD13      LEU  45  19.448  12.260   0.820
  333   HD21  LEU  45          HD21      LEU  45  20.732  13.401   4.210
  334   HD22  LEU  45          HD22      LEU  45  20.091  11.762   4.099
  335   HD23  LEU  45          HD23      LEU  45  19.144  13.029   4.881
  336    H    HIS  46           H        HIS  46  18.705  17.405   1.856
  337    HA   HIS  46           HA       HIS  46  20.604  18.375  -0.005
  338    HB2  HIS  46           HB2      HIS  46  18.074  18.592  -0.136
  339    HB3  HIS  46           HB3      HIS  46  18.217  19.906   1.028
  340    HD1  HIS  46           HD1      HIS  46  18.568  19.117  -2.550
  341    HD2  HIS  46           HD2      HIS  46  19.603  22.213   0.020
  342    HE1  HIS  46           HE1      HIS  46  19.131  21.065  -4.037
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1   2.510  -3.229   2.941
    2    HA   ALA   1           HA       ALA   1   1.352  -1.274   1.111
    3    HB1  ALA   1           HB1      ALA   1   2.363  -0.035   3.048
    4    HB2  ALA   1           HB2      ALA   1   3.930  -0.668   2.541
    5    HB3  ALA   1           HB3      ALA   1   3.013   0.385   1.463
    6    H    ASP   2           H        ASP   2   3.280  -0.576  -0.467
    7    HA   ASP   2           HA       ASP   2   4.601  -3.080  -1.287
    8    HB2  ASP   2           HB2      ASP   2   3.454  -0.843  -2.962
    9    HB3  ASP   2           HB3      ASP   2   4.500  -2.100  -3.617
   10    H    ASN   3           H        ASN   3   6.740  -3.058  -1.193
   11    HA   ASN   3           HA       ASN   3   8.180  -0.636  -0.664
   12    HB2  ASN   3           HB2      ASN   3   8.828  -3.534  -0.809
   13    HB3  ASN   3           HB3      ASN   3  10.155  -2.404  -1.060
   14   HD21  ASN   3          HD21      ASN   3  10.340  -4.021   1.037
   15   HD22  ASN   3          HD22      ASN   3  10.055  -3.172   2.514
   16    H    LYS   4           H        LYS   4   8.927   0.734  -2.128
   17    HA   LYS   4           HA       LYS   4   9.190  -0.157  -4.909
   18    HB2  LYS   4           HB2      LYS   4   9.272   2.680  -3.884
   19    HB3  LYS   4           HB3      LYS   4   9.035   2.145  -5.542
   20    HG2  LYS   4           HG2      LYS   4   7.108   1.621  -3.290
   21    HG3  LYS   4           HG3      LYS   4   6.968   2.944  -4.450
   22    HD2  LYS   4           HD2      LYS   4   7.198   0.105  -5.381
   23    HD3  LYS   4           HD3      LYS   4   5.642   0.765  -4.873
   24    HE2  LYS   4           HE2      LYS   4   6.066   2.654  -6.502
   25    HE3  LYS   4           HE3      LYS   4   7.413   1.700  -7.120
   26    HZ1  LYS   4           HZ1      LYS   4   5.812  -0.106  -7.564
   27    HZ2  LYS   4           HZ2      LYS   4   5.490   1.294  -8.457
   28    HZ3  LYS   4           HZ3      LYS   4   4.549   0.920  -7.102
   29    H    CYS   5           H        CYS   5  10.983   1.336  -2.277
   30    HA   CYS   5           HA       CYS   5  13.308   2.036  -3.655
   31    HB2  CYS   5           HB2      CYS   5  14.431   1.833  -1.423
   32    HB3  CYS   5           HB3      CYS   5  12.969   2.815  -1.407
   33    H    GLU   6           H        GLU   6  12.092  -1.053  -2.726
   34    HA   GLU   6           HA       GLU   6  14.370  -2.597  -2.506
   35    HB2  GLU   6           HB2      GLU   6  13.026  -4.477  -2.979
   36    HB3  GLU   6           HB3      GLU   6  11.941  -3.311  -2.234
   37    HG2  GLU   6           HG2      GLU   6  10.639  -3.961  -3.968
   38    HG3  GLU   6           HG3      GLU   6  11.507  -2.642  -4.751
   39    H    ASN   7           H        ASN   7  12.891  -1.237  -5.365
   40    HA   ASN   7           HA       ASN   7  14.752  -2.676  -7.102
   41    HB2  ASN   7           HB2      ASN   7  12.595  -2.715  -8.027
   42    HB3  ASN   7           HB3      ASN   7  12.282  -1.035  -7.602
   43   HD21  ASN   7          HD21      ASN   7  13.465  -3.188  -9.955
   44   HD22  ASN   7          HD22      ASN   7  13.929  -2.014 -11.135
   45    H    SER   8           H        SER   8  14.093   0.499  -5.826
   46    HA   SER   8           HA       SER   8  16.083   1.736  -7.563
   47    HB2  SER   8           HB2      SER   8  13.994   2.754  -5.680
   48    HB3  SER   8           HB3      SER   8  15.376   3.786  -6.050
   49    HG   SER   8           HG       SER   8  14.485   4.198  -7.896
   50    H    LEU   9           H        LEU   9  18.136   1.481  -6.983
   51    HA   LEU   9           HA       LEU   9  19.022   0.808  -4.402
   52    HB2  LEU   9           HB2      LEU   9  21.210   1.002  -5.240
   53    HB3  LEU   9           HB3      LEU   9  20.223   0.438  -6.587
   54    HG   LEU   9           HG       LEU   9  20.154   3.066  -7.083
   55   HD11  LEU   9          HD11      LEU   9  21.994   2.932  -5.002
   56   HD12  LEU   9          HD12      LEU   9  21.725   4.287  -6.097
   57   HD13  LEU   9          HD13      LEU   9  22.971   3.094  -6.461
   58   HD21  LEU   9          HD21      LEU   9  22.484   2.423  -8.321
   59   HD22  LEU   9          HD22      LEU   9  20.881   1.963  -8.897
   60   HD23  LEU   9          HD23      LEU   9  21.838   0.825  -7.947
   61    H    ARG  10           H        ARG  10  18.671   3.896  -6.045
   62    HA   ARG  10           HA       ARG  10  20.056   5.439  -4.100
   63    HB2  ARG  10           HB2      ARG  10  18.341   5.983  -6.454
   64    HB3  ARG  10           HB3      ARG  10  18.422   7.254  -5.241
   65    HG2  ARG  10           HG2      ARG  10  20.984   6.933  -5.432
   66    HG3  ARG  10           HG3      ARG  10  20.595   6.144  -6.961
   67    HD2  ARG  10           HD2      ARG  10  19.677   8.091  -7.868
   68    HD3  ARG  10           HD3      ARG  10  19.491   8.848  -6.286
   69    HE   ARG  10           HE       ARG  10  22.206   8.440  -6.670
   70   HH11  ARG  10          HH11      ARG  10  19.630  10.251  -8.155
   71   HH12  ARG  10          HH12      ARG  10  20.668  11.519  -8.715
   72   HH21  ARG  10          HH21      ARG  10  23.584  10.104  -7.403
   73   HH22  ARG  10          HH22      ARG  10  22.917  11.434  -8.288
   74    H    ARG  11           H        ARG  11  16.625   4.727  -4.658
   75    HA   ARG  11           HA       ARG  11  15.594   6.332  -2.598
   76    HB2  ARG  11           HB2      ARG  11  14.272   5.295  -4.458
   77    HB3  ARG  11           HB3      ARG  11  14.419   3.749  -3.633
   78    HG2  ARG  11           HG2      ARG  11  12.363   4.428  -2.908
   79    HG3  ARG  11           HG3      ARG  11  13.388   5.069  -1.622
   80    HD2  ARG  11           HD2      ARG  11  12.051   6.884  -2.114
   81    HD3  ARG  11           HD3      ARG  11  13.471   7.197  -3.111
   82    HE   ARG  11           HE       ARG  11  11.712   5.759  -4.685
   83   HH11  ARG  11          HH11      ARG  11  11.746   8.815  -3.018
   84   HH12  ARG  11          HH12      ARG  11  10.676   9.588  -4.141
   85   HH21  ARG  11          HH21      ARG  11  10.303   6.765  -6.170
   86   HH22  ARG  11          HH22      ARG  11   9.855   8.421  -5.933
   87    H    GLU  12           H        GLU  12  16.852   3.051  -2.613
   88    HA   GLU  12           HA       GLU  12  15.996   2.402   0.028
   89    HB2  GLU  12           HB2      GLU  12  16.710   0.825  -1.909
   90    HB3  GLU  12           HB3      GLU  12  18.344   1.114  -1.329
   91    HG2  GLU  12           HG2      GLU  12  18.028  -0.065   0.588
   92    HG3  GLU  12           HG3      GLU  12  16.304   0.295   0.658
   93    H    ILE  13           H        ILE  13  19.137   3.360  -1.346
   94    HA   ILE  13           HA       ILE  13  20.521   3.408   1.114
   95    HB   ILE  13           HB       ILE  13  21.122   4.934  -1.423
   96   HG12  ILE  13          HG12      ILE  13  22.464   2.407  -0.496
   97   HG13  ILE  13          HG13      ILE  13  20.980   2.347  -1.441
   98   HG21  ILE  13          HG21      ILE  13  23.503   4.433  -0.140
   99   HG22  ILE  13          HG22      ILE  13  22.644   5.972  -0.164
  100   HG23  ILE  13          HG23      ILE  13  22.415   4.855   1.182
  101   HD11  ILE  13          HD11      ILE  13  22.620   2.144  -3.045
  102   HD12  ILE  13          HD12      ILE  13  22.262   3.871  -3.089
  103   HD13  ILE  13          HD13      ILE  13  23.695   3.288  -2.242
  104    H    ALA  14           H        ALA  14  18.565   5.776  -0.564
  105    HA   ALA  14           HA       ALA  14  19.363   8.029   0.976
  106    HB1  ALA  14           HB1      ALA  14  18.279   8.154  -1.260
  107    HB2  ALA  14           HB2      ALA  14  16.766   7.651  -0.505
  108    HB3  ALA  14           HB3      ALA  14  17.519   9.175  -0.038
  109    H    CYS  15           H        CYS  15  16.741   5.676   1.252
  110    HA   CYS  15           HA       CYS  15  15.440   6.964   3.430
  111    HB2  CYS  15           HB2      CYS  15  15.248   4.311   2.086
  112    HB3  CYS  15           HB3      CYS  15  14.563   4.461   3.700
  113    H    GLY  16           H        GLY  16  17.799   4.329   3.194
  114    HA2  GLY  16           HA2      GLY  16  17.869   3.519   5.845
  115    HA3  GLY  16           HA3      GLY  16  19.244   3.460   4.753
  116    H    GLN  17           H        GLN  17  19.643   6.181   4.312
  117    HA   GLN  17           HA       GLN  17  21.138   6.875   6.613
  118    HB2  GLN  17           HB2      GLN  17  20.419   8.380   4.104
  119    HB3  GLN  17           HB3      GLN  17  21.395   9.099   5.378
  120    HG2  GLN  17           HG2      GLN  17  22.871   6.993   5.099
  121    HG3  GLN  17           HG3      GLN  17  22.051   6.835   3.546
  122   HE21  GLN  17          HE21      GLN  17  24.211   7.114   2.677
  123   HE22  GLN  17          HE22      GLN  17  24.834   8.711   2.460
  124    H    CYS  18           H        CYS  18  18.272   8.413   5.149
  125    HA   CYS  18           HA       CYS  18  17.850  10.334   7.121
  126    HB2  CYS  18           HB2      CYS  18  16.205   9.073   5.003
  127    HB3  CYS  18           HB3      CYS  18  15.320   9.867   6.302
  128    H    ARG  19           H        ARG  19  17.010   6.943   7.034
  129    HA   ARG  19           HA       ARG  19  15.092   6.837   9.047
  130    HB2  ARG  19           HB2      ARG  19  15.579   4.908   7.669
  131    HB3  ARG  19           HB3      ARG  19  17.218   4.825   8.301
  132    HG2  ARG  19           HG2      ARG  19  16.300   4.333  10.536
  133    HG3  ARG  19           HG3      ARG  19  14.678   4.335   9.841
  134    HD2  ARG  19           HD2      ARG  19  16.198   2.636   8.216
  135    HD3  ARG  19           HD3      ARG  19  16.657   2.244   9.873
  136    HE   ARG  19           HE       ARG  19  13.815   2.429   9.449
  137   HH11  ARG  19          HH11      ARG  19  16.611   0.356   9.360
  138   HH12  ARG  19          HH12      ARG  19  15.696  -1.103   9.546
  139   HH21  ARG  19          HH21      ARG  19  12.600   0.514   9.694
  140   HH22  ARG  19          HH22      ARG  19  13.415  -1.012   9.735
  141    H    ASP  20           H        ASP  20  18.601   6.980   9.251
  142    HA   ASP  20           HA       ASP  20  18.643   6.590  12.106
  143    HB2  ASP  20           HB2      ASP  20  20.517   5.877  10.636
  144    HB3  ASP  20           HB3      ASP  20  20.846   7.571  10.279
  145    H    LYS  21           H        LYS  21  19.306   9.325   9.923
  146    HA   LYS  21           HA       LYS  21  19.786  11.256  11.872
  147    HB2  LYS  21           HB2      LYS  21  18.486  11.665   9.172
  148    HB3  LYS  21           HB3      LYS  21  19.267  12.906  10.143
  149    HG2  LYS  21           HG2      LYS  21  21.307  11.212   9.959
  150    HG3  LYS  21           HG3      LYS  21  20.455  10.767   8.478
  151    HD2  LYS  21           HD2      LYS  21  21.792  12.452   7.688
  152    HD3  LYS  21           HD3      LYS  21  20.362  13.380   8.146
  153    HE2  LYS  21           HE2      LYS  21  21.374  14.101  10.167
  154    HE3  LYS  21           HE3      LYS  21  22.698  12.950   9.995
  155    HZ1  LYS  21           HZ1      LYS  21  23.786  14.677   9.125
  156    HZ2  LYS  21           HZ2      LYS  21  22.378  15.567   8.835
  157    HZ3  LYS  21           HZ3      LYS  21  22.879  14.392   7.726
  158    H    VAL  22           H        VAL  22  16.743  10.765  10.068
  159    HA   VAL  22           HA       VAL  22  15.150  12.518  11.484
  160    HB   VAL  22           HB       VAL  22  14.281   9.860  10.339
  161   HG11  VAL  22          HG11      VAL  22  12.310  10.401  11.233
  162   HG12  VAL  22          HG12      VAL  22  12.852  12.029  11.642
  163   HG13  VAL  22          HG13      VAL  22  12.234  11.684  10.027
  164   HG21  VAL  22          HG21      VAL  22  14.539  10.701   8.296
  165   HG22  VAL  22          HG22      VAL  22  13.674  12.175   8.733
  166   HG23  VAL  22          HG23      VAL  22  15.409  12.051   9.024
  167    H    LYS  23           H        LYS  23  16.251   9.336  12.380
  168    HA   LYS  23           HA       LYS  23  16.052   8.106  14.284
  169    HB2  LYS  23           HB2      LYS  23  15.634  10.903  15.285
  170    HB3  LYS  23           HB3      LYS  23  15.474   9.540  16.385
  171    HG2  LYS  23           HG2      LYS  23  17.769   8.839  15.782
  172    HG3  LYS  23           HG3      LYS  23  17.916  10.294  14.793
  173    HD2  LYS  23           HD2      LYS  23  17.528  11.675  16.783
  174    HD3  LYS  23           HD3      LYS  23  17.397  10.215  17.767
  175    HE2  LYS  23           HE2      LYS  23  19.720   9.625  17.030
  176    HE3  LYS  23           HE3      LYS  23  19.820  11.217  16.279
  177    HZ1  LYS  23           HZ1      LYS  23  18.931  11.549  18.909
  178    HZ2  LYS  23           HZ2      LYS  23  20.396  12.054  18.229
  179    HZ3  LYS  23           HZ3      LYS  23  20.281  10.530  18.954
  180    H    THR  24           H        THR  24  13.929   7.756  12.727
  181    HA   THR  24           HA       THR  24  11.693   7.650  14.636
  182    HB   THR  24           HB       THR  24  11.466   8.328  11.697
  183    HG1  THR  24           HG1      THR  24  10.513  10.280  12.666
  184   HG21  THR  24          HG21      THR  24   9.012   8.725  12.494
  185   HG22  THR  24          HG22      THR  24   9.442   7.591  13.774
  186   HG23  THR  24          HG23      THR  24   9.545   7.095  12.085
  187    H    ASP  25           H        ASP  25  11.119   5.621  15.003
  188    HA   ASP  25           HA       ASP  25  12.107   3.428  13.530
  189    HB2  ASP  25           HB2      ASP  25   9.984   3.710  15.644
  190    HB3  ASP  25           HB3      ASP  25  10.308   2.158  14.876
  191    H    GLY  26           H        GLY  26  11.448   2.616  11.657
  192    HA2  GLY  26           HA2      GLY  26   9.845   1.726  10.172
  193    HA3  GLY  26           HA3      GLY  26   8.606   2.679  10.974
  194    H    TYR  27           H        TYR  27  11.225   4.642  10.462
  195    HA   TYR  27           HA       TYR  27   9.900   6.241   8.557
  196    HB2  TYR  27           HB2      TYR  27  11.660   6.977  10.237
  197    HB3  TYR  27           HB3      TYR  27  12.861   6.312   9.136
  198    HD1  TYR  27           HD1      TYR  27  10.427   8.995   9.670
  199    HD2  TYR  27           HD2      TYR  27  13.346   7.398   7.018
  200    HE1  TYR  27           HE1      TYR  27  10.439  11.112   8.418
  201    HE2  TYR  27           HE2      TYR  27  13.367   9.511   5.760
  202    HH   TYR  27           HH       TYR  27  11.175  11.635   5.697
  203    H    PHE  28           H        PHE  28  12.678   4.045   8.258
  204    HA   PHE  28           HA       PHE  28  13.282   4.447   5.589
  205    HB2  PHE  28           HB2      PHE  28  14.739   3.107   6.933
  206    HB3  PHE  28           HB3      PHE  28  13.458   1.949   7.276
  207    HD1  PHE  28           HD1      PHE  28  12.765   0.327   5.602
  208    HD2  PHE  28           HD2      PHE  28  15.935   3.067   4.851
  209    HE1  PHE  28           HE1      PHE  28  13.478  -1.031   3.679
  210    HE2  PHE  28           HE2      PHE  28  16.653   1.714   2.926
  211    HZ   PHE  28           HZ       PHE  28  15.425  -0.339   2.338
  212    H    TYR  29           H        TYR  29  10.981   2.128   6.990
  213    HA   TYR  29           HA       TYR  29  10.119   1.131   4.462
  214    HB2  TYR  29           HB2      TYR  29   9.939  -0.196   6.528
  215    HB3  TYR  29           HB3      TYR  29   8.774   0.958   7.168
  216    HD1  TYR  29           HD1      TYR  29   9.326  -1.600   4.557
  217    HD2  TYR  29           HD2      TYR  29   6.482   0.861   6.547
  218    HE1  TYR  29           HE1      TYR  29   7.501  -2.875   3.512
  219    HE2  TYR  29           HE2      TYR  29   4.649  -0.408   5.509
  220    HH   TYR  29           HH       TYR  29   5.287  -2.948   3.134
  221    H    GLU  30           H        GLU  30   9.265   3.842   6.419
  222    HA   GLU  30           HA       GLU  30   6.660   4.265   5.323
  223    HB2  GLU  30           HB2      GLU  30   7.471   5.151   7.536
  224    HB3  GLU  30           HB3      GLU  30   8.450   6.306   6.644
  225    HG2  GLU  30           HG2      GLU  30   6.639   7.604   7.015
  226    HG3  GLU  30           HG3      GLU  30   6.115   6.843   5.515
  227    H    CYS  31           H        CYS  31   9.785   5.911   4.840
  228    HA   CYS  31           HA       CYS  31   8.885   7.564   2.734
  229    HB2  CYS  31           HB2      CYS  31  11.311   7.915   2.283
  230    HB3  CYS  31           HB3      CYS  31  10.873   8.154   3.972
  231    H    CYS  32           H        CYS  32  10.039   4.289   2.845
  232    HA   CYS  32           HA       CYS  32  10.778   3.979   0.147
  233    HB2  CYS  32           HB2      CYS  32  10.101   2.171   2.400
  234    HB3  CYS  32           HB3      CYS  32   9.972   1.490   0.781
  235    H    THR  33           H        THR  33   7.700   4.131   1.707
  236    HA   THR  33           HA       THR  33   6.394   3.540  -0.867
  237    HB   THR  33           HB       THR  33   4.550   2.499   0.222
  238    HG1  THR  33           HG1      THR  33   5.790   3.336   2.647
  239   HG21  THR  33          HG21      THR  33   7.073   1.415   0.261
  240   HG22  THR  33          HG22      THR  33   5.579   0.539   0.597
  241   HG23  THR  33          HG23      THR  33   6.535   1.194   1.926
  242    H    SER  34           H        SER  34   7.274   6.058   0.615
  243    HA   SER  34           HA       SER  34   4.708   7.460   0.335
  244    HB2  SER  34           HB2      SER  34   5.164   7.168   2.742
  245    HB3  SER  34           HB3      SER  34   6.727   7.959   2.538
  246    HG   SER  34           HG       SER  34   4.205   9.046   2.687
  247    H    ASP  35           H        ASP  35   5.063   8.553  -1.505
  248    HA   ASP  35           HA       ASP  35   7.572   9.559  -2.331
  249    HB2  ASP  35           HB2      ASP  35   5.370   9.067  -3.684
  250    HB3  ASP  35           HB3      ASP  35   5.010  10.752  -3.317
  251    H    SER  36           H        SER  36   4.951  10.912  -0.456
  252    HA   SER  36           HA       SER  36   5.843  13.620  -0.595
  253    HB2  SER  36           HB2      SER  36   4.020  12.285   1.421
  254    HB3  SER  36           HB3      SER  36   4.220  14.024   1.210
  255    HG   SER  36           HG       SER  36   2.388  12.884   0.096
  256    H    THR  37           H        THR  37   6.098  11.073   1.871
  257    HA   THR  37           HA       THR  37   7.467  12.519   3.813
  258    HB   THR  37           HB       THR  37   7.725   9.577   3.161
  259    HG1  THR  37           HG1      THR  37   6.180   9.424   4.905
  260   HG21  THR  37          HG21      THR  37   8.131   9.862   5.858
  261   HG22  THR  37          HG22      THR  37   8.973  11.265   5.200
  262   HG23  THR  37          HG23      THR  37   9.401   9.643   4.655
  263    H    PHE  38           H        PHE  38   8.606  11.091   0.845
  264    HA   PHE  38           HA       PHE  38  11.363  11.044   1.415
  265    HB2  PHE  38           HB2      PHE  38  10.013  10.039  -0.588
  266    HB3  PHE  38           HB3      PHE  38  10.331  11.596  -1.345
  267    HD1  PHE  38           HD1      PHE  38  12.134   8.873   0.453
  268    HD2  PHE  38           HD2      PHE  38  12.235  11.830  -2.606
  269    HE1  PHE  38           HE1      PHE  38  14.357   8.078  -0.237
  270    HE2  PHE  38           HE2      PHE  38  14.459  11.039  -3.302
  271    HZ   PHE  38           HZ       PHE  38  15.523   9.161  -2.116
  272    H    LYS  39           H        LYS  39   9.233  13.569   0.213
  273    HA   LYS  39           HA       LYS  39  11.057  15.434  -0.689
  274    HB2  LYS  39           HB2      LYS  39   8.455  15.846   0.788
  275    HB3  LYS  39           HB3      LYS  39   9.355  17.151   0.026
  276    HG2  LYS  39           HG2      LYS  39   9.140  15.975  -2.141
  277    HG3  LYS  39           HG3      LYS  39   8.132  14.765  -1.344
  278    HD2  LYS  39           HD2      LYS  39   6.660  16.318  -2.379
  279    HD3  LYS  39           HD3      LYS  39   6.613  16.647  -0.645
  280    HE2  LYS  39           HE2      LYS  39   6.729  18.725  -1.885
  281    HE3  LYS  39           HE3      LYS  39   8.216  18.484  -0.970
  282    HZ1  LYS  39           HZ1      LYS  39   7.875  17.893  -3.861
  283    HZ2  LYS  39           HZ2      LYS  39   9.306  17.731  -2.973
  284    HZ3  LYS  39           HZ3      LYS  39   8.640  19.264  -3.229
  285    H    LYS  40           H        LYS  40   9.765  15.150   2.622
  286    HA   LYS  40           HA       LYS  40  11.307  17.169   3.775
  287    HB2  LYS  40           HB2      LYS  40  10.053  14.677   4.906
  288    HB3  LYS  40           HB3      LYS  40  10.954  15.795   5.921
  289    HG2  LYS  40           HG2      LYS  40   8.756  16.473   6.188
  290    HG3  LYS  40           HG3      LYS  40   9.381  17.595   4.977
  291    HD2  LYS  40           HD2      LYS  40   8.168  16.642   3.272
  292    HD3  LYS  40           HD3      LYS  40   8.083  15.069   4.069
  293    HE2  LYS  40           HE2      LYS  40   5.906  15.921   4.211
  294    HE3  LYS  40           HE3      LYS  40   6.605  16.225   5.801
  295    HZ1  LYS  40           HZ1      LYS  40   6.024  18.331   5.517
  296    HZ2  LYS  40           HZ2      LYS  40   5.599  18.081   3.899
  297    HZ3  LYS  40           HZ3      LYS  40   7.198  18.453   4.305
  298    H    CYS  41           H        CYS  41  12.025  13.761   3.229
  299    HA   CYS  41           HA       CYS  41  14.445  13.704   4.703
  300    HB2  CYS  41           HB2      CYS  41  13.342  11.631   4.202
  301    HB3  CYS  41           HB3      CYS  41  13.400  11.955   2.473
  302    H    GLN  42           H        GLN  42  13.652  14.497   1.375
  303    HA   GLN  42           HA       GLN  42  16.240  14.483   0.301
  304    HB2  GLN  42           HB2      GLN  42  13.735  15.982  -0.426
  305    HB3  GLN  42           HB3      GLN  42  15.230  16.204  -1.324
  306    HG2  GLN  42           HG2      GLN  42  13.649  13.667  -1.009
  307    HG3  GLN  42           HG3      GLN  42  13.886  14.612  -2.478
  308   HE21  GLN  42          HE21      GLN  42  15.270  12.328  -0.283
  309   HE22  GLN  42          HE22      GLN  42  16.651  11.926  -1.241
  310    H    ASP  43           H        ASP  43  14.524  16.871   2.196
  311    HA   ASP  43           HA       ASP  43  16.331  19.019   1.719
  312    HB2  ASP  43           HB2      ASP  43  13.931  19.171   2.589
  313    HB3  ASP  43           HB3      ASP  43  14.586  18.711   4.158
  314    H    LEU  44           H        LEU  44  16.047  16.554   4.236
  315    HA   LEU  44           HA       LEU  44  17.986  17.515   5.995
  316    HB2  LEU  44           HB2      LEU  44  17.399  14.620   5.407
  317    HB3  LEU  44           HB3      LEU  44  18.094  15.283   6.884
  318    HG   LEU  44           HG       LEU  44  15.262  15.624   5.904
  319   HD11  LEU  44          HD11      LEU  44  15.791  14.528   8.562
  320   HD12  LEU  44          HD12      LEU  44  16.370  13.519   7.237
  321   HD13  LEU  44          HD13      LEU  44  14.672  13.988   7.310
  322   HD21  LEU  44          HD21      LEU  44  15.134  16.634   8.331
  323   HD22  LEU  44          HD22      LEU  44  15.570  17.636   6.947
  324   HD23  LEU  44          HD23      LEU  44  16.827  17.016   8.018
  325    H    LEU  45           H        LEU  45  18.343  15.145   3.359
  326    HA   LEU  45           HA       LEU  45  21.163  14.926   3.646
  327    HB2  LEU  45           HB2      LEU  45  19.605  14.319   1.150
  328    HB3  LEU  45           HB3      LEU  45  21.116  13.594   1.695
  329    HG   LEU  45           HG       LEU  45  18.367  13.154   2.856
  330   HD11  LEU  45          HD11      LEU  45  18.609  11.898   0.870
  331   HD12  LEU  45          HD12      LEU  45  18.917  10.781   2.199
  332   HD13  LEU  45          HD13      LEU  45  20.265  11.441   1.273
  333   HD21  LEU  45          HD21      LEU  45  21.037  12.752   3.984
  334   HD22  LEU  45          HD22      LEU  45  20.018  11.312   4.012
  335   HD23  LEU  45          HD23      LEU  45  19.463  12.801   4.778
  336    H    HIS  46           H        HIS  46  19.071  17.109   1.957
  337    HA   HIS  46           HA       HIS  46  21.394  18.306   0.600
  338    HB2  HIS  46           HB2      HIS  46  19.375  17.500  -0.765
  339    HB3  HIS  46           HB3      HIS  46  18.512  18.870  -0.074
  340    HD1  HIS  46           HD1      HIS  46  18.273  20.165  -2.247
  341    HD2  HIS  46           HD2      HIS  46  22.212  19.211  -1.332
  342    HE1  HIS  46           HE1      HIS  46  19.677  21.484  -3.863
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1  -0.425  -2.187  -0.698
    2    HA   ALA   1           HA       ALA   1   1.520  -0.082  -1.120
    3    HB1  ALA   1           HB1      ALA   1   2.406  -1.411   1.074
    4    HB2  ALA   1           HB2      ALA   1   1.223  -0.103   1.105
    5    HB3  ALA   1           HB3      ALA   1   0.682  -1.781   1.119
    6    H    ASP   2           H        ASP   2   3.267  -0.386  -2.321
    7    HA   ASP   2           HA       ASP   2   4.536  -3.044  -2.316
    8    HB2  ASP   2           HB2      ASP   2   5.295  -2.283  -4.713
    9    HB3  ASP   2           HB3      ASP   2   3.705  -3.003  -4.474
   10    H    ASN   3           H        ASN   3   6.759  -3.110  -2.249
   11    HA   ASN   3           HA       ASN   3   8.043  -0.687  -1.309
   12    HB2  ASN   3           HB2      ASN   3   8.654  -3.591  -1.258
   13    HB3  ASN   3           HB3      ASN   3  10.034  -2.497  -1.269
   14   HD21  ASN   3          HD21      ASN   3   8.704  -4.313   0.779
   15   HD22  ASN   3          HD22      ASN   3   8.562  -3.313   2.181
   16    H    LYS   4           H        LYS   4   8.902   0.690  -2.707
   17    HA   LYS   4           HA       LYS   4   9.702  -0.179  -5.354
   18    HB2  LYS   4           HB2      LYS   4   9.842   2.578  -4.121
   19    HB3  LYS   4           HB3      LYS   4  10.016   2.187  -5.827
   20    HG2  LYS   4           HG2      LYS   4   7.844   2.567  -6.036
   21    HG3  LYS   4           HG3      LYS   4   7.567   1.091  -5.109
   22    HD2  LYS   4           HD2      LYS   4   7.494   2.343  -3.050
   23    HD3  LYS   4           HD3      LYS   4   7.940   3.828  -3.894
   24    HE2  LYS   4           HE2      LYS   4   5.825   3.479  -5.273
   25    HE3  LYS   4           HE3      LYS   4   5.372   2.275  -4.067
   26    HZ1  LYS   4           HZ1      LYS   4   6.188   4.898  -3.085
   27    HZ2  LYS   4           HZ2      LYS   4   4.998   3.846  -2.502
   28    HZ3  LYS   4           HZ3      LYS   4   4.687   4.805  -3.861
   29    H    CYS   5           H        CYS   5  11.175   0.708  -2.333
   30    HA   CYS   5           HA       CYS   5  13.739   1.398  -3.129
   31    HB2  CYS   5           HB2      CYS   5  12.674   0.020  -0.678
   32    HB3  CYS   5           HB3      CYS   5  14.401   0.302  -0.875
   33    H    GLU   6           H        GLU   6  12.297  -1.796  -2.724
   34    HA   GLU   6           HA       GLU   6  14.588  -3.362  -2.945
   35    HB2  GLU   6           HB2      GLU   6  12.086  -3.997  -2.486
   36    HB3  GLU   6           HB3      GLU   6  12.023  -4.226  -4.228
   37    HG2  GLU   6           HG2      GLU   6  14.180  -5.535  -2.637
   38    HG3  GLU   6           HG3      GLU   6  12.560  -6.228  -2.667
   39    H    ASN   7           H        ASN   7  12.857  -1.568  -5.349
   40    HA   ASN   7           HA       ASN   7  14.327  -2.879  -7.516
   41    HB2  ASN   7           HB2      ASN   7  11.951  -1.028  -7.457
   42    HB3  ASN   7           HB3      ASN   7  12.832  -1.347  -8.949
   43   HD21  ASN   7          HD21      ASN   7  12.244  -3.041 -10.106
   44   HD22  ASN   7          HD22      ASN   7  11.244  -4.340  -9.559
   45    H    SER   8           H        SER   8  14.073   0.129  -5.774
   46    HA   SER   8           HA       SER   8  16.071   1.349  -7.553
   47    HB2  SER   8           HB2      SER   8  13.960   2.478  -5.753
   48    HB3  SER   8           HB3      SER   8  15.390   3.444  -6.113
   49    HG   SER   8           HG       SER   8  14.798   2.763  -8.415
   50    H    LEU   9           H        LEU   9  18.082   1.015  -6.875
   51    HA   LEU   9           HA       LEU   9  18.786   0.363  -4.215
   52    HB2  LEU   9           HB2      LEU   9  21.026   0.355  -4.954
   53    HB3  LEU   9           HB3      LEU   9  20.052  -0.241  -6.296
   54    HG   LEU   9           HG       LEU   9  20.188   2.336  -6.994
   55   HD11  LEU   9          HD11      LEU   9  22.844   2.641  -6.507
   56   HD12  LEU   9          HD12      LEU   9  22.287   1.944  -4.987
   57   HD13  LEU   9          HD13      LEU   9  21.556   3.429  -5.595
   58   HD21  LEU   9          HD21      LEU   9  21.061   0.047  -8.033
   59   HD22  LEU   9          HD22      LEU   9  22.620   0.759  -7.619
   60   HD23  LEU   9          HD23      LEU   9  21.515   1.618  -8.693
   61    H    ARG  10           H        ARG  10  18.786   3.371  -6.039
   62    HA   ARG  10           HA       ARG  10  20.221   4.916  -4.152
   63    HB2  ARG  10           HB2      ARG  10  18.532   5.463  -6.529
   64    HB3  ARG  10           HB3      ARG  10  18.733   6.783  -5.385
   65    HG2  ARG  10           HG2      ARG  10  21.241   6.325  -5.576
   66    HG3  ARG  10           HG3      ARG  10  20.823   5.372  -7.001
   67    HD2  ARG  10           HD2      ARG  10  19.734   7.331  -7.987
   68    HD3  ARG  10           HD3      ARG  10  20.154   8.281  -6.562
   69    HE   ARG  10           HE       ARG  10  22.408   7.063  -7.881
   70   HH11  ARG  10          HH11      ARG  10  20.315   9.841  -7.722
   71   HH12  ARG  10          HH12      ARG  10  21.467  10.913  -8.446
   72   HH21  ARG  10          HH21      ARG  10  23.933   8.465  -8.836
   73   HH22  ARG  10          HH22      ARG  10  23.525  10.130  -9.080
   74    H    ARG  11           H        ARG  11  16.757   4.376  -4.676
   75    HA   ARG  11           HA       ARG  11  15.818   6.159  -2.721
   76    HB2  ARG  11           HB2      ARG  11  14.481   5.000  -4.549
   77    HB3  ARG  11           HB3      ARG  11  14.462   3.583  -3.508
   78    HG2  ARG  11           HG2      ARG  11  12.439   4.612  -3.053
   79    HG3  ARG  11           HG3      ARG  11  13.474   5.160  -1.734
   80    HD2  ARG  11           HD2      ARG  11  13.564   7.305  -2.512
   81    HD3  ARG  11           HD3      ARG  11  13.376   6.816  -4.195
   82    HE   ARG  11           HE       ARG  11  11.311   7.602  -2.423
   83   HH11  ARG  11          HH11      ARG  11  12.022   5.373  -5.000
   84   HH12  ARG  11          HH12      ARG  11  10.376   5.256  -5.529
   85   HH21  ARG  11          HH21      ARG  11   9.141   7.457  -3.109
   86   HH22  ARG  11          HH22      ARG  11   8.738   6.443  -4.453
   87    H    GLU  12           H        GLU  12  16.882   2.813  -2.532
   88    HA   GLU  12           HA       GLU  12  16.003   2.386   0.147
   89    HB2  GLU  12           HB2      GLU  12  16.603   0.647  -1.682
   90    HB3  GLU  12           HB3      GLU  12  18.259   0.876  -1.138
   91    HG2  GLU  12           HG2      GLU  12  17.719   0.116   1.058
   92    HG3  GLU  12           HG3      GLU  12  15.998   0.087   0.679
   93    H    ILE  13           H        ILE  13  19.204   3.018  -1.280
   94    HA   ILE  13           HA       ILE  13  20.614   3.134   1.146
   95    HB   ILE  13           HB       ILE  13  21.246   4.535  -1.455
   96   HG12  ILE  13          HG12      ILE  13  22.460   1.971  -0.451
   97   HG13  ILE  13          HG13      ILE  13  20.975   1.966  -1.396
   98   HG21  ILE  13          HG21      ILE  13  22.786   5.562  -0.187
   99   HG22  ILE  13          HG22      ILE  13  22.618   4.404   1.131
  100   HG23  ILE  13          HG23      ILE  13  23.631   4.016  -0.259
  101   HD11  ILE  13          HD11      ILE  13  22.793   1.562  -2.869
  102   HD12  ILE  13          HD12      ILE  13  22.205   3.196  -3.181
  103   HD13  ILE  13          HD13      ILE  13  23.682   2.953  -2.248
  104    H    ALA  14           H        ALA  14  18.769   5.541  -0.608
  105    HA   ALA  14           HA       ALA  14  19.694   7.799   0.853
  106    HB1  ALA  14           HB1      ALA  14  17.357   8.685  -0.035
  107    HB2  ALA  14           HB2      ALA  14  18.750   8.489  -1.099
  108    HB3  ALA  14           HB3      ALA  14  17.491   7.255  -1.058
  109    H    CYS  15           H        CYS  15  16.846   5.703   1.147
  110    HA   CYS  15           HA       CYS  15  15.603   7.085   3.251
  111    HB2  CYS  15           HB2      CYS  15  15.421   4.341   2.110
  112    HB3  CYS  15           HB3      CYS  15  14.731   4.601   3.709
  113    H    GLY  16           H        GLY  16  17.975   4.454   3.259
  114    HA2  GLY  16           HA2      GLY  16  18.009   3.832   5.955
  115    HA3  GLY  16           HA3      GLY  16  19.411   3.733   4.900
  116    H    GLN  17           H        GLN  17  19.712   6.455   4.291
  117    HA   GLN  17           HA       GLN  17  21.234   7.327   6.484
  118    HB2  GLN  17           HB2      GLN  17  20.213   8.809   4.061
  119    HB3  GLN  17           HB3      GLN  17  21.325   9.512   5.228
  120    HG2  GLN  17           HG2      GLN  17  22.796   7.458   4.730
  121    HG3  GLN  17           HG3      GLN  17  21.787   7.280   3.295
  122   HE21  GLN  17          HE21      GLN  17  22.844   8.011   1.602
  123   HE22  GLN  17          HE22      GLN  17  23.767   9.469   1.527
  124    H    CYS  18           H        CYS  18  18.263   8.794   5.155
  125    HA   CYS  18           HA       CYS  18  17.835  10.601   7.232
  126    HB2  CYS  18           HB2      CYS  18  16.121   9.378   5.121
  127    HB3  CYS  18           HB3      CYS  18  15.321  10.230   6.438
  128    H    ARG  19           H        ARG  19  17.048   7.206   6.969
  129    HA   ARG  19           HA       ARG  19  15.162   6.969   9.006
  130    HB2  ARG  19           HB2      ARG  19  15.698   5.148   7.455
  131    HB3  ARG  19           HB3      ARG  19  17.294   4.992   8.178
  132    HG2  ARG  19           HG2      ARG  19  15.708   4.714  10.358
  133    HG3  ARG  19           HG3      ARG  19  14.698   3.999   9.101
  134    HD2  ARG  19           HD2      ARG  19  16.836   2.721   8.428
  135    HD3  ARG  19           HD3      ARG  19  17.428   3.179  10.025
  136    HE   ARG  19           HE       ARG  19  14.834   1.929  10.041
  137   HH11  ARG  19          HH11      ARG  19  18.276   1.421  10.137
  138   HH12  ARG  19          HH12      ARG  19  18.158  -0.124  10.913
  139   HH21  ARG  19          HH21      ARG  19  14.665  -0.103  11.064
  140   HH22  ARG  19          HH22      ARG  19  16.104  -0.989  11.440
  141    H    ASP  20           H        ASP  20  18.672   7.125   9.146
  142    HA   ASP  20           HA       ASP  20  18.762   6.578  11.978
  143    HB2  ASP  20           HB2      ASP  20  20.620   5.865  10.575
  144    HB3  ASP  20           HB3      ASP  20  20.901   7.526  10.061
  145    H    LYS  21           H        LYS  21  19.531   9.401   9.940
  146    HA   LYS  21           HA       LYS  21  20.023  11.224  11.975
  147    HB2  LYS  21           HB2      LYS  21  18.861  11.650   9.220
  148    HB3  LYS  21           HB3      LYS  21  19.347  12.965  10.282
  149    HG2  LYS  21           HG2      LYS  21  21.295  10.807   9.612
  150    HG3  LYS  21           HG3      LYS  21  20.973  12.099   8.453
  151    HD2  LYS  21           HD2      LYS  21  21.877  13.723   9.810
  152    HD3  LYS  21           HD3      LYS  21  21.568  12.810  11.289
  153    HE2  LYS  21           HE2      LYS  21  23.489  11.698   9.306
  154    HE3  LYS  21           HE3      LYS  21  24.004  13.061  10.298
  155    HZ1  LYS  21           HZ1      LYS  21  24.207  11.760  12.073
  156    HZ2  LYS  21           HZ2      LYS  21  24.083  10.440  11.022
  157    HZ3  LYS  21           HZ3      LYS  21  22.709  11.014  11.824
  158    H    VAL  22           H        VAL  22  16.969  10.846  10.164
  159    HA   VAL  22           HA       VAL  22  15.412  12.579  11.654
  160    HB   VAL  22           HB       VAL  22  14.537  10.006  10.334
  161   HG11  VAL  22          HG11      VAL  22  12.420  11.729  10.211
  162   HG12  VAL  22          HG12      VAL  22  12.602  10.423  11.384
  163   HG13  VAL  22          HG13      VAL  22  13.079  12.067  11.811
  164   HG21  VAL  22          HG21      VAL  22  14.082  11.289   8.394
  165   HG22  VAL  22          HG22      VAL  22  14.363  12.808   9.246
  166   HG23  VAL  22          HG23      VAL  22  15.712  11.725   8.905
  167    H    LYS  23           H        LYS  23  16.490   9.365  12.422
  168    HA   LYS  23           HA       LYS  23  16.214   8.021  14.240
  169    HB2  LYS  23           HB2      LYS  23  15.964  10.778  15.403
  170    HB3  LYS  23           HB3      LYS  23  15.786   9.359  16.427
  171    HG2  LYS  23           HG2      LYS  23  18.042   8.614  15.543
  172    HG3  LYS  23           HG3      LYS  23  18.200  10.240  14.876
  173    HD2  LYS  23           HD2      LYS  23  17.505   9.847  17.762
  174    HD3  LYS  23           HD3      LYS  23  19.181   9.725  17.223
  175    HE2  LYS  23           HE2      LYS  23  17.501  12.086  16.468
  176    HE3  LYS  23           HE3      LYS  23  18.280  12.008  18.048
  177    HZ1  LYS  23           HZ1      LYS  23  20.023  12.888  17.000
  178    HZ2  LYS  23           HZ2      LYS  23  19.429  12.511  15.461
  179    HZ3  LYS  23           HZ3      LYS  23  20.278  11.347  16.349
  180    H    THR  24           H        THR  24  14.115   7.611  12.850
  181    HA   THR  24           HA       THR  24  11.928   7.514  14.776
  182    HB   THR  24           HB       THR  24  11.563   8.634  11.990
  183    HG1  THR  24           HG1      THR  24  11.452   9.786  14.588
  184   HG21  THR  24          HG21      THR  24   9.597   7.462  12.357
  185   HG22  THR  24          HG22      THR  24   9.202   9.052  13.009
  186   HG23  THR  24          HG23      THR  24   9.638   7.736  14.098
  187    H    ASP  25           H        ASP  25  11.227   5.493  14.857
  188    HA   ASP  25           HA       ASP  25  12.019   3.503  13.018
  189    HB2  ASP  25           HB2      ASP  25  11.589   2.713  15.178
  190    HB3  ASP  25           HB3      ASP  25  10.062   3.582  15.295
  191    H    GLY  26           H        GLY  26  10.929   2.462  11.383
  192    HA2  GLY  26           HA2      GLY  26   9.192   2.008   9.900
  193    HA3  GLY  26           HA3      GLY  26   8.182   3.150  10.775
  194    H    TYR  27           H        TYR  27  10.886   4.841  10.319
  195    HA   TYR  27           HA       TYR  27   9.781   6.486   8.304
  196    HB2  TYR  27           HB2      TYR  27  11.422   7.155  10.138
  197    HB3  TYR  27           HB3      TYR  27  12.683   6.459   9.126
  198    HD1  TYR  27           HD1      TYR  27  13.328   7.526   7.030
  199    HD2  TYR  27           HD2      TYR  27  10.328   9.227   9.522
  200    HE1  TYR  27           HE1      TYR  27  13.508   9.643   5.792
  201    HE2  TYR  27           HE2      TYR  27  10.499  11.349   8.290
  202    HH   TYR  27           HH       TYR  27  11.458  12.429   6.607
  203    H    PHE  28           H        PHE  28  12.609   4.318   8.260
  204    HA   PHE  28           HA       PHE  28  13.347   4.646   5.615
  205    HB2  PHE  28           HB2      PHE  28  14.771   3.415   7.097
  206    HB3  PHE  28           HB3      PHE  28  13.519   2.214   7.397
  207    HD1  PHE  28           HD1      PHE  28  12.994   0.521   5.730
  208    HD2  PHE  28           HD2      PHE  28  16.104   3.358   5.102
  209    HE1  PHE  28           HE1      PHE  28  13.881  -0.862   3.899
  210    HE2  PHE  28           HE2      PHE  28  16.996   1.981   3.270
  211    HZ   PHE  28           HZ       PHE  28  15.884  -0.132   2.665
  212    H    TYR  29           H        TYR  29  10.992   2.376   6.986
  213    HA   TYR  29           HA       TYR  29  10.332   1.221   4.452
  214    HB2  TYR  29           HB2      TYR  29  10.032  -0.135   6.404
  215    HB3  TYR  29           HB3      TYR  29   9.013   1.081   7.165
  216    HD1  TYR  29           HD1      TYR  29   9.041  -0.695   3.868
  217    HD2  TYR  29           HD2      TYR  29   6.804   0.458   7.299
  218    HE1  TYR  29           HE1      TYR  29   7.047  -1.785   2.928
  219    HE2  TYR  29           HE2      TYR  29   4.804  -0.630   6.369
  220    HH   TYR  29           HH       TYR  29   4.021  -1.970   4.753
  221    H    GLU  30           H        GLU  30   9.290   3.978   6.244
  222    HA   GLU  30           HA       GLU  30   6.740   4.269   4.980
  223    HB2  GLU  30           HB2      GLU  30   7.098   5.272   7.145
  224    HB3  GLU  30           HB3      GLU  30   8.452   6.212   6.534
  225    HG2  GLU  30           HG2      GLU  30   6.579   7.661   6.740
  226    HG3  GLU  30           HG3      GLU  30   6.874   7.393   5.023
  227    H    CYS  31           H        CYS  31   9.830   6.017   4.646
  228    HA   CYS  31           HA       CYS  31   9.037   7.602   2.465
  229    HB2  CYS  31           HB2      CYS  31  11.478   7.942   2.106
  230    HB3  CYS  31           HB3      CYS  31  10.978   8.201   3.774
  231    H    CYS  32           H        CYS  32  10.172   4.325   2.671
  232    HA   CYS  32           HA       CYS  32  11.000   3.981  -0.003
  233    HB2  CYS  32           HB2      CYS  32  10.251   2.186   2.248
  234    HB3  CYS  32           HB3      CYS  32  10.243   1.494   0.629
  235    H    THR  33           H        THR  33   7.896   4.252   1.429
  236    HA   THR  33           HA       THR  33   6.661   3.607  -1.161
  237    HB   THR  33           HB       THR  33   4.802   2.510  -0.129
  238    HG1  THR  33           HG1      THR  33   4.307   3.048   1.848
  239   HG21  THR  33          HG21      THR  33   5.870   0.557   0.115
  240   HG22  THR  33          HG22      THR  33   6.766   1.131   1.521
  241   HG23  THR  33          HG23      THR  33   7.360   1.473  -0.103
  242    H    SER  34           H        SER  34   7.439   6.105   0.403
  243    HA   SER  34           HA       SER  34   4.842   7.446   0.106
  244    HB2  SER  34           HB2      SER  34   5.506   7.002   2.548
  245    HB3  SER  34           HB3      SER  34   6.773   8.203   2.295
  246    HG   SER  34           HG       SER  34   4.902   9.545   1.494
  247    H    ASP  35           H        ASP  35   5.215   8.577  -1.711
  248    HA   ASP  35           HA       ASP  35   7.712   9.681  -2.446
  249    HB2  ASP  35           HB2      ASP  35   4.993  10.567  -3.424
  250    HB3  ASP  35           HB3      ASP  35   6.534  10.736  -4.259
  251    H    SER  36           H        SER  36   4.998  10.907  -0.617
  252    HA   SER  36           HA       SER  36   5.774  13.647  -0.688
  253    HB2  SER  36           HB2      SER  36   3.467  13.010  -0.201
  254    HB3  SER  36           HB3      SER  36   3.987  12.165   1.256
  255    HG   SER  36           HG       SER  36   4.260  14.027   2.263
  256    H    THR  37           H        THR  37   6.158  11.060   1.715
  257    HA   THR  37           HA       THR  37   7.457  12.550   3.686
  258    HB   THR  37           HB       THR  37   7.975   9.637   3.074
  259    HG1  THR  37           HG1      THR  37   5.888  10.863   4.582
  260   HG21  THR  37          HG21      THR  37   9.169   9.617   4.955
  261   HG22  THR  37          HG22      THR  37   7.827  10.325   5.854
  262   HG23  THR  37          HG23      THR  37   8.996  11.369   5.046
  263    H    PHE  38           H        PHE  38   8.616  11.280   0.677
  264    HA   PHE  38           HA       PHE  38  11.388  11.299   1.277
  265    HB2  PHE  38           HB2      PHE  38  10.170  10.151  -0.684
  266    HB3  PHE  38           HB3      PHE  38  10.250  11.720  -1.478
  267    HD1  PHE  38           HD1      PHE  38  12.460   9.286   0.280
  268    HD2  PHE  38           HD2      PHE  38  12.061  12.183  -2.813
  269    HE1  PHE  38           HE1      PHE  38  14.741   8.774  -0.490
  270    HE2  PHE  38           HE2      PHE  38  14.340  11.675  -3.588
  271    HZ   PHE  38           HZ       PHE  38  15.683   9.968  -2.427
  272    H    LYS  39           H        LYS  39   9.127  13.729   0.186
  273    HA   LYS  39           HA       LYS  39  10.840  15.661  -0.818
  274    HB2  LYS  39           HB2      LYS  39   8.268  15.942   0.737
  275    HB3  LYS  39           HB3      LYS  39   9.093  17.306  -0.005
  276    HG2  LYS  39           HG2      LYS  39   8.955  15.824  -2.159
  277    HG3  LYS  39           HG3      LYS  39   7.637  15.046  -1.281
  278    HD2  LYS  39           HD2      LYS  39   7.768  18.030  -1.565
  279    HD3  LYS  39           HD3      LYS  39   7.076  17.021  -2.837
  280    HE2  LYS  39           HE2      LYS  39   5.193  17.458  -1.620
  281    HE3  LYS  39           HE3      LYS  39   5.739  15.992  -0.808
  282    HZ1  LYS  39           HZ1      LYS  39   7.024  18.084   0.451
  283    HZ2  LYS  39           HZ2      LYS  39   5.750  17.154   1.062
  284    HZ3  LYS  39           HZ3      LYS  39   5.426  18.601   0.247
  285    H    LYS  40           H        LYS  40   9.689  15.331   2.540
  286    HA   LYS  40           HA       LYS  40  11.199  17.415   3.626
  287    HB2  LYS  40           HB2      LYS  40   9.924  14.952   4.743
  288    HB3  LYS  40           HB3      LYS  40  11.005  15.886   5.767
  289    HG2  LYS  40           HG2      LYS  40   9.029  16.871   6.299
  290    HG3  LYS  40           HG3      LYS  40   9.500  17.887   4.935
  291    HD2  LYS  40           HD2      LYS  40   7.317  17.385   4.395
  292    HD3  LYS  40           HD3      LYS  40   8.187  16.113   3.535
  293    HE2  LYS  40           HE2      LYS  40   6.629  14.824   4.574
  294    HE3  LYS  40           HE3      LYS  40   7.844  14.855   5.852
  295    HZ1  LYS  40           HZ1      LYS  40   5.908  15.393   6.957
  296    HZ2  LYS  40           HZ2      LYS  40   5.297  16.326   5.686
  297    HZ3  LYS  40           HZ3      LYS  40   6.560  16.922   6.642
  298    H    CYS  41           H        CYS  41  11.929  13.928   3.529
  299    HA   CYS  41           HA       CYS  41  14.408  14.003   4.773
  300    HB2  CYS  41           HB2      CYS  41  13.364  11.890   4.349
  301    HB3  CYS  41           HB3      CYS  41  13.351  12.177   2.612
  302    H    GLN  42           H        GLN  42  13.584  14.507   1.372
  303    HA   GLN  42           HA       GLN  42  16.128  14.585   0.276
  304    HB2  GLN  42           HB2      GLN  42  13.499  15.766  -0.437
  305    HB3  GLN  42           HB3      GLN  42  14.915  16.435  -1.237
  306    HG2  GLN  42           HG2      GLN  42  15.527  14.175  -1.991
  307    HG3  GLN  42           HG3      GLN  42  14.057  13.551  -1.245
  308   HE21  GLN  42          HE21      GLN  42  12.015  14.373  -2.049
  309   HE22  GLN  42          HE22      GLN  42  11.886  14.835  -3.709
  310    H    ASP  43           H        ASP  43  14.360  17.071   2.027
  311    HA   ASP  43           HA       ASP  43  16.206  19.173   1.497
  312    HB2  ASP  43           HB2      ASP  43  13.768  19.373   2.274
  313    HB3  ASP  43           HB3      ASP  43  14.381  19.039   3.891
  314    H    LEU  44           H        LEU  44  15.822  16.832   4.110
  315    HA   LEU  44           HA       LEU  44  17.668  17.876   5.917
  316    HB2  LEU  44           HB2      LEU  44  17.145  14.955   5.402
  317    HB3  LEU  44           HB3      LEU  44  17.767  15.676   6.885
  318    HG   LEU  44           HG       LEU  44  14.975  15.928   5.771
  319   HD11  LEU  44          HD11      LEU  44  15.571  14.923   8.491
  320   HD12  LEU  44          HD12      LEU  44  15.950  13.860   7.136
  321   HD13  LEU  44          HD13      LEU  44  14.304  14.454   7.357
  322   HD21  LEU  44          HD21      LEU  44  16.445  17.694   7.493
  323   HD22  LEU  44          HD22      LEU  44  15.105  16.960   8.374
  324   HD23  LEU  44          HD23      LEU  44  14.799  17.844   6.879
  325    H    LEU  45           H        LEU  45  18.179  15.422   3.384
  326    HA   LEU  45           HA       LEU  45  20.985  15.256   3.808
  327    HB2  LEU  45           HB2      LEU  45  19.423  14.508   1.342
  328    HB3  LEU  45           HB3      LEU  45  21.036  13.947   1.778
  329    HG   LEU  45           HG       LEU  45  18.524  13.309   3.323
  330   HD11  LEU  45          HD11      LEU  45  18.650  12.349   0.995
  331   HD12  LEU  45          HD12      LEU  45  18.524  11.176   2.305
  332   HD13  LEU  45          HD13      LEU  45  20.081  11.465   1.528
  333   HD21  LEU  45          HD21      LEU  45  19.801  12.060   4.739
  334   HD22  LEU  45          HD22      LEU  45  20.965  13.325   4.344
  335   HD23  LEU  45          HD23      LEU  45  21.051  11.761   3.531
  336    H    HIS  46           H        HIS  46  18.945  17.348   1.950
  337    HA   HIS  46           HA       HIS  46  20.827  18.266   0.063
  338    HB2  HIS  46           HB2      HIS  46  18.400  18.660  -0.140
  339    HB3  HIS  46           HB3      HIS  46  18.465  19.742   1.248
  340    HD1  HIS  46           HD1      HIS  46  17.724  21.805  -0.060
  341    HD2  HIS  46           HD2      HIS  46  21.141  20.009  -1.595
  342    HE1  HIS  46           HE1      HIS  46  18.649  23.439  -1.732
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1  -0.271   0.022   0.356
    2    HA   ALA   1           HA       ALA   1   1.288   1.507  -1.483
    3    HB1  ALA   1           HB1      ALA   1   1.348   2.205   0.767
    4    HB2  ALA   1           HB2      ALA   1   1.786   0.594   1.337
    5    HB3  ALA   1           HB3      ALA   1   2.952   1.555   0.429
    6    H    ASP   2           H        ASP   2   3.040   0.983  -2.663
    7    HA   ASP   2           HA       ASP   2   3.956  -1.811  -2.532
    8    HB2  ASP   2           HB2      ASP   2   3.871   0.172  -4.803
    9    HB3  ASP   2           HB3      ASP   2   4.818  -1.311  -4.885
   10    H    ASN   3           H        ASN   3   6.183  -2.274  -2.680
   11    HA   ASN   3           HA       ASN   3   7.861  -0.204  -1.516
   12    HB2  ASN   3           HB2      ASN   3   7.705  -2.735  -0.827
   13    HB3  ASN   3           HB3      ASN   3   8.846  -2.961  -2.150
   14   HD21  ASN   3          HD21      ASN   3  10.042  -3.745  -0.154
   15   HD22  ASN   3          HD22      ASN   3  11.039  -2.581   0.642
   16    H    LYS   4           H        LYS   4   9.142   1.042  -2.693
   17    HA   LYS   4           HA       LYS   4   9.801   0.216  -5.431
   18    HB2  LYS   4           HB2      LYS   4  10.112   2.953  -4.192
   19    HB3  LYS   4           HB3      LYS   4  10.217   2.542  -5.899
   20    HG2  LYS   4           HG2      LYS   4   8.082   3.136  -6.033
   21    HG3  LYS   4           HG3      LYS   4   7.717   1.634  -5.180
   22    HD2  LYS   4           HD2      LYS   4   7.768   2.781  -3.055
   23    HD3  LYS   4           HD3      LYS   4   8.281   4.277  -3.838
   24    HE2  LYS   4           HE2      LYS   4   6.112   4.072  -5.195
   25    HE3  LYS   4           HE3      LYS   4   5.621   2.893  -3.980
   26    HZ1  LYS   4           HZ1      LYS   4   6.558   5.059  -2.568
   27    HZ2  LYS   4           HZ2      LYS   4   4.942   4.602  -2.768
   28    HZ3  LYS   4           HZ3      LYS   4   5.638   5.728  -3.821
   29    H    CYS   5           H        CYS   5  11.200   0.984  -2.343
   30    HA   CYS   5           HA       CYS   5  13.845   1.483  -3.091
   31    HB2  CYS   5           HB2      CYS   5  12.605   0.339  -0.600
   32    HB3  CYS   5           HB3      CYS   5  14.351   0.510  -0.752
   33    H    GLU   6           H        GLU   6  12.038  -1.470  -2.968
   34    HA   GLU   6           HA       GLU   6  14.176  -3.301  -2.812
   35    HB2  GLU   6           HB2      GLU   6  11.958  -4.085  -2.393
   36    HB3  GLU   6           HB3      GLU   6  11.399  -3.537  -3.967
   37    HG2  GLU   6           HG2      GLU   6  11.639  -5.928  -3.976
   38    HG3  GLU   6           HG3      GLU   6  12.844  -5.208  -5.042
   39    H    ASN   7           H        ASN   7  12.732  -1.556  -5.485
   40    HA   ASN   7           HA       ASN   7  14.440  -2.970  -7.397
   41    HB2  ASN   7           HB2      ASN   7  11.939  -2.520  -7.795
   42    HB3  ASN   7           HB3      ASN   7  12.414  -0.848  -8.081
   43   HD21  ASN   7          HD21      ASN   7  12.678  -0.369 -10.126
   44   HD22  ASN   7          HD22      ASN   7  13.205  -1.444 -11.371
   45    H    SER   8           H        SER   8  14.048   0.091  -5.809
   46    HA   SER   8           HA       SER   8  16.103   1.313  -7.507
   47    HB2  SER   8           HB2      SER   8  14.120   2.463  -5.546
   48    HB3  SER   8           HB3      SER   8  15.463   3.410  -6.186
   49    HG   SER   8           HG       SER   8  14.644   3.055  -8.270
   50    H    LEU   9           H        LEU   9  18.109   0.916  -6.840
   51    HA   LEU   9           HA       LEU   9  18.791   0.237  -4.170
   52    HB2  LEU   9           HB2      LEU   9  20.999   0.063  -4.920
   53    HB3  LEU   9           HB3      LEU   9  20.009  -0.404  -6.301
   54    HG   LEU   9           HG       LEU   9  20.346   2.182  -6.886
   55   HD11  LEU   9          HD11      LEU   9  22.272   1.630  -4.799
   56   HD12  LEU   9          HD12      LEU   9  21.826   3.162  -5.548
   57   HD13  LEU   9          HD13      LEU   9  23.052   2.140  -6.296
   58   HD21  LEU   9          HD21      LEU   9  22.387   1.403  -8.209
   59   HD22  LEU   9          HD22      LEU   9  20.868   0.548  -8.480
   60   HD23  LEU   9          HD23      LEU   9  22.117  -0.172  -7.462
   61    H    ARG  10           H        ARG  10  18.850   3.222  -6.016
   62    HA   ARG  10           HA       ARG  10  20.366   4.726  -4.139
   63    HB2  ARG  10           HB2      ARG  10  18.571   5.451  -6.438
   64    HB3  ARG  10           HB3      ARG  10  19.238   6.693  -5.387
   65    HG2  ARG  10           HG2      ARG  10  21.515   5.658  -5.909
   66    HG3  ARG  10           HG3      ARG  10  20.685   4.820  -7.222
   67    HD2  ARG  10           HD2      ARG  10  19.980   7.607  -7.210
   68    HD3  ARG  10           HD3      ARG  10  21.733   7.420  -7.239
   69    HE   ARG  10           HE       ARG  10  21.582   6.560  -9.364
   70   HH11  ARG  10          HH11      ARG  10  18.413   6.698  -7.929
   71   HH12  ARG  10          HH12      ARG  10  17.585   6.325  -9.405
   72   HH21  ARG  10          HH21      ARG  10  20.504   6.069 -11.313
   73   HH22  ARG  10          HH22      ARG  10  18.776   5.967 -11.330
   74    H    ARG  11           H        ARG  11  16.939   4.086  -4.573
   75    HA   ARG  11           HA       ARG  11  15.928   6.037  -2.825
   76    HB2  ARG  11           HB2      ARG  11  14.697   4.469  -4.493
   77    HB3  ARG  11           HB3      ARG  11  14.646   3.342  -3.145
   78    HG2  ARG  11           HG2      ARG  11  12.625   4.410  -2.942
   79    HG3  ARG  11           HG3      ARG  11  13.636   5.356  -1.847
   80    HD2  ARG  11           HD2      ARG  11  12.481   6.961  -3.092
   81    HD3  ARG  11           HD3      ARG  11  14.067   6.878  -3.858
   82    HE   ARG  11           HE       ARG  11  12.095   5.154  -5.052
   83   HH11  ARG  11          HH11      ARG  11  13.483   8.347  -5.020
   84   HH12  ARG  11          HH12      ARG  11  13.004   8.713  -6.644
   85   HH21  ARG  11          HH21      ARG  11  11.457   5.625  -7.191
   86   HH22  ARG  11          HH22      ARG  11  11.850   7.165  -7.878
   87    H    GLU  12           H        GLU  12  17.154   2.785  -2.261
   88    HA   GLU  12           HA       GLU  12  16.351   2.656   0.472
   89    HB2  GLU  12           HB2      GLU  12  16.727   0.594  -0.667
   90    HB3  GLU  12           HB3      GLU  12  18.344   1.083  -1.155
   91    HG2  GLU  12           HG2      GLU  12  19.255   0.621   0.880
   92    HG3  GLU  12           HG3      GLU  12  17.754   0.937   1.748
   93    H    ILE  13           H        ILE  13  19.499   3.217  -1.099
   94    HA   ILE  13           HA       ILE  13  21.010   3.639   1.195
   95    HB   ILE  13           HB       ILE  13  21.360   4.960  -1.499
   96   HG12  ILE  13          HG12      ILE  13  22.701   2.481  -0.406
   97   HG13  ILE  13          HG13      ILE  13  21.299   2.441  -1.469
   98   HG21  ILE  13          HG21      ILE  13  23.843   4.780  -0.551
   99   HG22  ILE  13          HG22      ILE  13  22.816   6.184  -0.263
  100   HG23  ILE  13          HG23      ILE  13  22.981   4.943   0.979
  101   HD11  ILE  13          HD11      ILE  13  23.594   4.025  -2.414
  102   HD12  ILE  13          HD12      ILE  13  23.821   2.278  -2.337
  103   HD13  ILE  13          HD13      ILE  13  22.505   2.955  -3.296
  104    H    ALA  14           H        ALA  14  18.906   5.830  -0.564
  105    HA   ALA  14           HA       ALA  14  19.724   8.204   0.770
  106    HB1  ALA  14           HB1      ALA  14  17.805   7.464  -1.242
  107    HB2  ALA  14           HB2      ALA  14  17.086   8.572  -0.073
  108    HB3  ALA  14           HB3      ALA  14  18.557   9.029  -0.930
  109    H    CYS  15           H        CYS  15  16.957   6.010   1.212
  110    HA   CYS  15           HA       CYS  15  15.815   7.392   3.385
  111    HB2  CYS  15           HB2      CYS  15  15.526   4.689   2.183
  112    HB3  CYS  15           HB3      CYS  15  14.944   4.895   3.832
  113    H    GLY  16           H        GLY  16  18.340   4.969   3.180
  114    HA2  GLY  16           HA2      GLY  16  18.458   4.113   5.822
  115    HA3  GLY  16           HA3      GLY  16  19.841   4.212   4.742
  116    H    GLN  17           H        GLN  17  19.965   6.966   4.346
  117    HA   GLN  17           HA       GLN  17  21.396   7.777   6.633
  118    HB2  GLN  17           HB2      GLN  17  20.342   9.475   4.365
  119    HB3  GLN  17           HB3      GLN  17  21.587   9.951   5.512
  120    HG2  GLN  17           HG2      GLN  17  23.035   8.169   4.685
  121    HG3  GLN  17           HG3      GLN  17  21.786   7.688   3.537
  122   HE21  GLN  17          HE21      GLN  17  21.452   8.892   1.708
  123   HE22  GLN  17          HE22      GLN  17  22.509  10.163   1.207
  124    H    CYS  18           H        CYS  18  18.362   9.090   5.288
  125    HA   CYS  18           HA       CYS  18  17.773  10.815   7.393
  126    HB2  CYS  18           HB2      CYS  18  16.141   9.473   5.277
  127    HB3  CYS  18           HB3      CYS  18  15.312  10.326   6.575
  128    H    ARG  19           H        ARG  19  17.253   7.375   7.060
  129    HA   ARG  19           HA       ARG  19  15.376   6.968   9.086
  130    HB2  ARG  19           HB2      ARG  19  16.022   5.226   7.488
  131    HB3  ARG  19           HB3      ARG  19  17.626   5.151   8.206
  132    HG2  ARG  19           HG2      ARG  19  16.329   4.608  10.393
  133    HG3  ARG  19           HG3      ARG  19  15.021   4.182   9.287
  134    HD2  ARG  19           HD2      ARG  19  17.315   2.994   8.222
  135    HD3  ARG  19           HD3      ARG  19  17.411   2.717   9.961
  136    HE   ARG  19           HE       ARG  19  15.616   1.480   8.132
  137   HH11  ARG  19          HH11      ARG  19  15.905   2.629  11.406
  138   HH12  ARG  19          HH12      ARG  19  14.720   1.533  12.034
  139   HH21  ARG  19          HH21      ARG  19  14.053   0.031   8.947
  140   HH22  ARG  19          HH22      ARG  19  13.668   0.055  10.634
  141    H    ASP  20           H        ASP  20  18.871   7.336   9.225
  142    HA   ASP  20           HA       ASP  20  18.995   6.734  12.046
  143    HB2  ASP  20           HB2      ASP  20  20.886   6.150  10.622
  144    HB3  ASP  20           HB3      ASP  20  21.080   7.837  10.152
  145    H    LYS  21           H        LYS  21  19.579   9.632  10.055
  146    HA   LYS  21           HA       LYS  21  19.982  11.439  12.130
  147    HB2  LYS  21           HB2      LYS  21  18.682  11.983   9.454
  148    HB3  LYS  21           HB3      LYS  21  19.405  13.187  10.514
  149    HG2  LYS  21           HG2      LYS  21  21.032  10.893   9.503
  150    HG3  LYS  21           HG3      LYS  21  20.746  12.310   8.491
  151    HD2  LYS  21           HD2      LYS  21  22.662  12.991   9.514
  152    HD3  LYS  21           HD3      LYS  21  21.499  13.563  10.713
  153    HE2  LYS  21           HE2      LYS  21  22.009  11.888  12.203
  154    HE3  LYS  21           HE3      LYS  21  22.563  10.788  10.941
  155    HZ1  LYS  21           HZ1      LYS  21  24.314  11.805  12.441
  156    HZ2  LYS  21           HZ2      LYS  21  24.045  13.256  11.616
  157    HZ3  LYS  21           HZ3      LYS  21  24.597  11.896  10.776
  158    H    VAL  22           H        VAL  22  16.959  10.956  10.292
  159    HA   VAL  22           HA       VAL  22  15.315  12.563  11.837
  160    HB   VAL  22           HB       VAL  22  14.555  10.010  10.411
  161   HG11  VAL  22          HG11      VAL  22  12.371  11.615  10.302
  162   HG12  VAL  22          HG12      VAL  22  12.613  10.338  11.497
  163   HG13  VAL  22          HG13      VAL  22  13.004  12.011  11.900
  164   HG21  VAL  22          HG21      VAL  22  14.394  12.861   9.442
  165   HG22  VAL  22          HG22      VAL  22  15.673  11.728   9.003
  166   HG23  VAL  22          HG23      VAL  22  14.006  11.402   8.529
  167    H    LYS  23           H        LYS  23  16.551   9.385  12.490
  168    HA   LYS  23           HA       LYS  23  16.312   7.945  14.239
  169    HB2  LYS  23           HB2      LYS  23  15.969  10.643  15.502
  170    HB3  LYS  23           HB3      LYS  23  15.795   9.189  16.476
  171    HG2  LYS  23           HG2      LYS  23  18.107   8.572  15.405
  172    HG3  LYS  23           HG3      LYS  23  18.214  10.318  15.164
  173    HD2  LYS  23           HD2      LYS  23  19.221   9.960  17.246
  174    HD3  LYS  23           HD3      LYS  23  17.590  10.507  17.643
  175    HE2  LYS  23           HE2      LYS  23  16.942   8.079  17.813
  176    HE3  LYS  23           HE3      LYS  23  18.656   7.690  17.686
  177    HZ1  LYS  23           HZ1      LYS  23  18.457   7.799  19.928
  178    HZ2  LYS  23           HZ2      LYS  23  17.187   8.915  19.893
  179    HZ3  LYS  23           HZ3      LYS  23  18.777   9.435  19.639
  180    H    THR  24           H        THR  24  14.250   7.475  12.838
  181    HA   THR  24           HA       THR  24  12.027   7.315  14.734
  182    HB   THR  24           HB       THR  24  11.714   8.275  11.883
  183    HG1  THR  24           HG1      THR  24  10.943  10.171  12.933
  184   HG21  THR  24          HG21      THR  24   9.290   8.578  12.712
  185   HG22  THR  24          HG22      THR  24   9.729   7.414  13.963
  186   HG23  THR  24          HG23      THR  24   9.821   6.959  12.262
  187    H    ASP  25           H        ASP  25  11.592   5.229  14.955
  188    HA   ASP  25           HA       ASP  25  12.480   3.213  13.212
  189    HB2  ASP  25           HB2      ASP  25  10.356   3.177  15.362
  190    HB3  ASP  25           HB3      ASP  25  10.921   1.735  14.524
  191    H    GLY  26           H        GLY  26  11.611   2.266  11.461
  192    HA2  GLY  26           HA2      GLY  26   9.923   1.567   9.996
  193    HA3  GLY  26           HA3      GLY  26   8.775   2.561  10.881
  194    H    TYR  27           H        TYR  27  11.088   4.688  10.552
  195    HA   TYR  27           HA       TYR  27   9.850   6.213   8.583
  196    HB2  TYR  27           HB2      TYR  27  11.454   7.046  10.328
  197    HB3  TYR  27           HB3      TYR  27  12.767   6.386   9.360
  198    HD1  TYR  27           HD1      TYR  27  10.192   8.996   9.556
  199    HD2  TYR  27           HD2      TYR  27  13.466   7.461   7.315
  200    HE1  TYR  27           HE1      TYR  27  10.276  11.084   8.259
  201    HE2  TYR  27           HE2      TYR  27  13.560   9.545   6.013
  202    HH   TYR  27           HH       TYR  27  11.097  11.812   5.993
  203    H    PHE  28           H        PHE  28  12.771   4.199   8.343
  204    HA   PHE  28           HA       PHE  28  13.443   4.696   5.709
  205    HB2  PHE  28           HB2      PHE  28  14.926   3.416   7.089
  206    HB3  PHE  28           HB3      PHE  28  13.710   2.168   7.339
  207    HD1  PHE  28           HD1      PHE  28  13.206   0.555   5.594
  208    HD2  PHE  28           HD2      PHE  28  16.207   3.525   5.058
  209    HE1  PHE  28           HE1      PHE  28  14.090  -0.692   3.666
  210    HE2  PHE  28           HE2      PHE  28  17.096   2.283   3.128
  211    HZ   PHE  28           HZ       PHE  28  16.038   0.171   2.431
  212    H    TYR  29           H        TYR  29  11.171   2.293   6.989
  213    HA   TYR  29           HA       TYR  29  10.488   1.270   4.405
  214    HB2  TYR  29           HB2      TYR  29  10.260  -0.198   6.290
  215    HB3  TYR  29           HB3      TYR  29   9.216   0.946   7.126
  216    HD1  TYR  29           HD1      TYR  29   6.879   1.197   6.488
  217    HD2  TYR  29           HD2      TYR  29   9.402  -1.595   4.502
  218    HE1  TYR  29           HE1      TYR  29   4.899   0.105   5.521
  219    HE2  TYR  29           HE2      TYR  29   7.429  -2.694   3.528
  220    HH   TYR  29           HH       TYR  29   4.527  -2.534   4.585
  221    H    GLU  30           H        GLU  30   9.420   3.896   6.369
  222    HA   GLU  30           HA       GLU  30   6.837   4.197   5.180
  223    HB2  GLU  30           HB2      GLU  30   7.316   5.083   7.408
  224    HB3  GLU  30           HB3      GLU  30   8.527   6.164   6.734
  225    HG2  GLU  30           HG2      GLU  30   6.682   7.195   5.368
  226    HG3  GLU  30           HG3      GLU  30   5.551   6.255   6.340
  227    H    CYS  31           H        CYS  31   9.883   6.023   4.861
  228    HA   CYS  31           HA       CYS  31   8.998   7.695   2.778
  229    HB2  CYS  31           HB2      CYS  31  11.431   8.106   2.385
  230    HB3  CYS  31           HB3      CYS  31  10.941   8.305   4.064
  231    H    CYS  32           H        CYS  32  10.232   4.448   2.806
  232    HA   CYS  32           HA       CYS  32  10.990   4.274   0.085
  233    HB2  CYS  32           HB2      CYS  32  10.420   2.332   2.272
  234    HB3  CYS  32           HB3      CYS  32  10.422   1.725   0.619
  235    H    THR  33           H        THR  33   7.938   4.211   1.686
  236    HA   THR  33           HA       THR  33   6.630   3.567  -0.875
  237    HB   THR  33           HB       THR  33   4.814   2.482   0.292
  238    HG1  THR  33           HG1      THR  33   4.502   2.898   2.335
  239   HG21  THR  33          HG21      THR  33   7.065   1.175   1.688
  240   HG22  THR  33          HG22      THR  33   7.258   1.394  -0.052
  241   HG23  THR  33          HG23      THR  33   5.874   0.501   0.577
  242    H    SER  34           H        SER  34   7.387   6.122   0.605
  243    HA   SER  34           HA       SER  34   4.737   7.373   0.388
  244    HB2  SER  34           HB2      SER  34   6.768   7.843   2.581
  245    HB3  SER  34           HB3      SER  34   5.364   8.873   2.299
  246    HG   SER  34           HG       SER  34   5.518   6.483   3.564
  247    H    ASP  35           H        ASP  35   5.000   8.461  -1.475
  248    HA   ASP  35           HA       ASP  35   7.424   9.632  -2.338
  249    HB2  ASP  35           HB2      ASP  35   4.568   9.789  -3.213
  250    HB3  ASP  35           HB3      ASP  35   5.723  10.951  -3.860
  251    H    SER  36           H        SER  36   4.748  10.808  -0.426
  252    HA   SER  36           HA       SER  36   5.474  13.571  -0.591
  253    HB2  SER  36           HB2      SER  36   3.826  12.399   1.635
  254    HB3  SER  36           HB3      SER  36   3.688  13.982   0.871
  255    HG   SER  36           HG       SER  36   2.196  12.028   0.316
  256    H    THR  37           H        THR  37   6.056  10.953   1.701
  257    HA   THR  37           HA       THR  37   7.276  12.525   3.709
  258    HB   THR  37           HB       THR  37   7.648   9.586   3.100
  259    HG1  THR  37           HG1      THR  37   5.879  11.005   4.823
  260   HG21  THR  37          HG21      THR  37   8.313   9.474   5.515
  261   HG22  THR  37          HG22      THR  37   8.382  11.237   5.516
  262   HG23  THR  37          HG23      THR  37   9.466  10.312   4.478
  263    H    PHE  38           H        PHE  38   8.426  11.207   0.717
  264    HA   PHE  38           HA       PHE  38  11.192  11.198   1.266
  265    HB2  PHE  38           HB2      PHE  38   9.856  10.204  -0.747
  266    HB3  PHE  38           HB3      PHE  38  10.109  11.790  -1.468
  267    HD1  PHE  38           HD1      PHE  38  12.067   9.144   0.290
  268    HD2  PHE  38           HD2      PHE  38  11.949  12.064  -2.805
  269    HE1  PHE  38           HE1      PHE  38  14.306   8.443  -0.452
  270    HE2  PHE  38           HE2      PHE  38  14.188  11.368  -3.552
  271    HZ   PHE  38           HZ       PHE  38  15.369   9.556  -2.374
  272    H    LYS  39           H        LYS  39   8.988  13.703   0.169
  273    HA   LYS  39           HA       LYS  39  10.780  15.631  -0.694
  274    HB2  LYS  39           HB2      LYS  39   8.037  15.666   0.436
  275    HB3  LYS  39           HB3      LYS  39   8.908  17.194   0.437
  276    HG2  LYS  39           HG2      LYS  39   7.913  17.354  -1.591
  277    HG3  LYS  39           HG3      LYS  39   9.377  16.496  -2.077
  278    HD2  LYS  39           HD2      LYS  39   7.919  15.073  -3.042
  279    HD3  LYS  39           HD3      LYS  39   7.778  14.418  -1.409
  280    HE2  LYS  39           HE2      LYS  39   5.961  16.411  -2.752
  281    HE3  LYS  39           HE3      LYS  39   5.572  14.761  -2.271
  282    HZ1  LYS  39           HZ1      LYS  39   4.669  16.286  -0.681
  283    HZ2  LYS  39           HZ2      LYS  39   6.168  17.036  -0.460
  284    HZ3  LYS  39           HZ3      LYS  39   5.937  15.441   0.053
  285    H    LYS  40           H        LYS  40   9.468  15.204   2.592
  286    HA   LYS  40           HA       LYS  40  10.876  17.250   3.839
  287    HB2  LYS  40           HB2      LYS  40   9.751  14.644   4.813
  288    HB3  LYS  40           HB3      LYS  40  10.669  15.675   5.903
  289    HG2  LYS  40           HG2      LYS  40   8.527  16.369   6.320
  290    HG3  LYS  40           HG3      LYS  40   9.026  17.526   5.084
  291    HD2  LYS  40           HD2      LYS  40   7.907  16.216   3.372
  292    HD3  LYS  40           HD3      LYS  40   7.465  14.994   4.567
  293    HE2  LYS  40           HE2      LYS  40   6.596  17.880   4.667
  294    HE3  LYS  40           HE3      LYS  40   5.623  16.568   4.002
  295    HZ1  LYS  40           HZ1      LYS  40   6.601  16.015   6.642
  296    HZ2  LYS  40           HZ2      LYS  40   5.028  15.905   6.028
  297    HZ3  LYS  40           HZ3      LYS  40   5.615  17.390   6.588
  298    H    CYS  41           H        CYS  41  11.765  13.810   3.572
  299    HA   CYS  41           HA       CYS  41  14.228  13.976   4.876
  300    HB2  CYS  41           HB2      CYS  41  13.269  11.823   4.443
  301    HB3  CYS  41           HB3      CYS  41  13.256  12.113   2.707
  302    H    GLN  42           H        GLN  42  13.370  14.541   1.503
  303    HA   GLN  42           HA       GLN  42  15.937  14.707   0.421
  304    HB2  GLN  42           HB2      GLN  42  13.259  15.767  -0.333
  305    HB3  GLN  42           HB3      GLN  42  14.664  16.448  -1.143
  306    HG2  GLN  42           HG2      GLN  42  15.283  13.932  -1.515
  307    HG3  GLN  42           HG3      GLN  42  13.555  13.690  -1.261
  308   HE21  GLN  42          HE21      GLN  42  14.959  13.156  -3.657
  309   HE22  GLN  42          HE22      GLN  42  14.332  14.202  -4.881
  310    H    ASP  43           H        ASP  43  14.036  17.057   2.199
  311    HA   ASP  43           HA       ASP  43  15.714  19.291   1.649
  312    HB2  ASP  43           HB2      ASP  43  13.323  19.423   2.420
  313    HB3  ASP  43           HB3      ASP  43  13.872  18.923   4.017
  314    H    LEU  44           H        LEU  44  15.538  16.928   4.270
  315    HA   LEU  44           HA       LEU  44  17.390  18.103   6.005
  316    HB2  LEU  44           HB2      LEU  44  17.038  15.142   5.622
  317    HB3  LEU  44           HB3      LEU  44  17.532  15.994   7.084
  318    HG   LEU  44           HG       LEU  44  14.782  15.954   5.846
  319   HD11  LEU  44          HD11      LEU  44  15.517  15.079   8.610
  320   HD12  LEU  44          HD12      LEU  44  15.714  13.986   7.240
  321   HD13  LEU  44          HD13      LEU  44  14.120  14.634   7.628
  322   HD21  LEU  44          HD21      LEU  44  14.516  17.134   8.285
  323   HD22  LEU  44          HD22      LEU  44  14.583  17.996   6.748
  324   HD23  LEU  44          HD23      LEU  44  16.042  17.816   7.723
  325    H    LEU  45           H        LEU  45  17.899  15.593   3.528
  326    HA   LEU  45           HA       LEU  45  20.692  15.425   3.862
  327    HB2  LEU  45           HB2      LEU  45  19.085  14.844   1.380
  328    HB3  LEU  45           HB3      LEU  45  20.707  14.255   1.741
  329    HG   LEU  45           HG       LEU  45  18.308  13.544   3.415
  330   HD11  LEU  45          HD11      LEU  45  19.209  12.470   0.813
  331   HD12  LEU  45          HD12      LEU  45  17.601  12.502   1.536
  332   HD13  LEU  45          HD13      LEU  45  18.776  11.294   2.054
  333   HD21  LEU  45          HD21      LEU  45  19.695  12.227   4.588
  334   HD22  LEU  45          HD22      LEU  45  20.961  13.270   3.939
  335   HD23  LEU  45          HD23      LEU  45  20.599  11.730   3.158
  336    H    HIS  46           H        HIS  46  18.675  17.665   2.163
  337    HA   HIS  46           HA       HIS  46  20.972  18.796   0.739
  338    HB2  HIS  46           HB2      HIS  46  18.005  19.012   0.430
  339    HB3  HIS  46           HB3      HIS  46  19.019  20.325  -0.162
  340    HD1  HIS  46           HD1      HIS  46  18.914  16.532  -0.520
  341    HD2  HIS  46           HD2      HIS  46  19.766  19.949  -2.725
  342    HE1  HIS  46           HE1      HIS  46  19.438  15.720  -2.842
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1   0.384  -2.827   0.779
    2    HA   ALA   1           HA       ALA   1   1.918  -1.075  -0.508
    3    HB1  ALA   1           HB1      ALA   1   3.443  -1.576   1.794
    4    HB2  ALA   1           HB2      ALA   1   2.161  -0.381   1.586
    5    HB3  ALA   1           HB3      ALA   1   1.778  -1.987   2.207
    6    H    ASP   2           H        ASP   2   3.558  -1.176  -1.880
    7    HA   ASP   2           HA       ASP   2   5.451  -3.422  -1.652
    8    HB2  ASP   2           HB2      ASP   2   5.006  -1.794  -4.147
    9    HB3  ASP   2           HB3      ASP   2   5.749  -3.384  -3.996
   10    H    ASN   3           H        ASN   3   7.495  -2.968  -1.165
   11    HA   ASN   3           HA       ASN   3   8.335  -0.315  -0.625
   12    HB2  ASN   3           HB2      ASN   3   9.557  -3.018  -0.512
   13    HB3  ASN   3           HB3      ASN   3  10.667  -1.655  -0.622
   14   HD21  ASN   3          HD21      ASN   3  10.253  -3.505   1.567
   15   HD22  ASN   3          HD22      ASN   3   9.796  -2.550   2.932
   16    H    LYS   4           H        LYS   4   8.087   0.849  -2.558
   17    HA   LYS   4           HA       LYS   4   9.078   0.190  -5.059
   18    HB2  LYS   4           HB2      LYS   4   8.947   2.955  -3.840
   19    HB3  LYS   4           HB3      LYS   4   9.022   2.582  -5.558
   20    HG2  LYS   4           HG2      LYS   4   6.803   1.406  -3.977
   21    HG3  LYS   4           HG3      LYS   4   6.745   3.132  -4.342
   22    HD2  LYS   4           HD2      LYS   4   7.348   1.192  -6.530
   23    HD3  LYS   4           HD3      LYS   4   5.681   1.387  -5.983
   24    HE2  LYS   4           HE2      LYS   4   7.407   3.725  -6.753
   25    HE3  LYS   4           HE3      LYS   4   6.444   2.838  -7.934
   26    HZ1  LYS   4           HZ1      LYS   4   5.578   4.622  -5.790
   27    HZ2  LYS   4           HZ2      LYS   4   4.582   3.300  -6.143
   28    HZ3  LYS   4           HZ3      LYS   4   4.955   4.425  -7.351
   29    H    CYS   5           H        CYS   5  10.757   1.326  -2.236
   30    HA   CYS   5           HA       CYS   5  13.103   2.299  -3.409
   31    HB2  CYS   5           HB2      CYS   5  14.164   1.774  -1.208
   32    HB3  CYS   5           HB3      CYS   5  12.666   2.689  -1.073
   33    H    GLU   6           H        GLU   6  11.928  -0.920  -3.028
   34    HA   GLU   6           HA       GLU   6  14.391  -2.308  -3.149
   35    HB2  GLU   6           HB2      GLU   6  11.552  -3.085  -3.779
   36    HB3  GLU   6           HB3      GLU   6  12.886  -4.207  -4.010
   37    HG2  GLU   6           HG2      GLU   6  12.260  -2.858  -1.397
   38    HG3  GLU   6           HG3      GLU   6  11.674  -4.457  -1.852
   39    H    ASN   7           H        ASN   7  12.412  -0.780  -5.544
   40    HA   ASN   7           HA       ASN   7  13.691  -2.137  -7.763
   41    HB2  ASN   7           HB2      ASN   7  11.576  -0.009  -7.541
   42    HB3  ASN   7           HB3      ASN   7  12.323  -0.389  -9.090
   43   HD21  ASN   7          HD21      ASN   7  12.418  -2.856  -9.486
   44   HD22  ASN   7          HD22      ASN   7  10.938  -3.700  -9.197
   45    H    SER   8           H        SER   8  13.984   0.841  -5.994
   46    HA   SER   8           HA       SER   8  16.067   1.741  -7.874
   47    HB2  SER   8           HB2      SER   8  14.042   3.213  -6.258
   48    HB3  SER   8           HB3      SER   8  15.615   3.977  -6.486
   49    HG   SER   8           HG       SER   8  15.191   3.377  -8.822
   50    H    LEU   9           H        LEU   9  18.013   1.199  -7.143
   51    HA   LEU   9           HA       LEU   9  18.664   0.520  -4.517
   52    HB2  LEU   9           HB2      LEU   9  20.886   0.401  -5.218
   53    HB3  LEU   9           HB3      LEU   9  19.943   0.038  -6.662
   54    HG   LEU   9           HG       LEU   9  20.283   2.651  -7.056
   55   HD11  LEU   9          HD11      LEU   9  22.768   3.030  -6.435
   56   HD12  LEU   9          HD12      LEU   9  22.465   1.820  -5.189
   57   HD13  LEU   9          HD13      LEU   9  21.522   3.309  -5.219
   58   HD21  LEU   9          HD21      LEU   9  20.910   0.802  -8.566
   59   HD22  LEU   9          HD22      LEU   9  22.403   0.590  -7.651
   60   HD23  LEU   9          HD23      LEU   9  22.113   2.092  -8.531
   61    H    ARG  10           H        ARG  10  18.729   3.615  -6.170
   62    HA   ARG  10           HA       ARG  10  20.171   5.011  -4.151
   63    HB2  ARG  10           HB2      ARG  10  18.482   5.846  -6.488
   64    HB3  ARG  10           HB3      ARG  10  19.048   7.039  -5.326
   65    HG2  ARG  10           HG2      ARG  10  21.300   5.527  -5.984
   66    HG3  ARG  10           HG3      ARG  10  20.449   5.800  -7.506
   67    HD2  ARG  10           HD2      ARG  10  21.673   7.714  -7.446
   68    HD3  ARG  10           HD3      ARG  10  20.276   8.259  -6.517
   69    HE   ARG  10           HE       ARG  10  22.097   7.167  -4.721
   70   HH11  ARG  10          HH11      ARG  10  21.900   9.850  -6.930
   71   HH12  ARG  10          HH12      ARG  10  22.963  10.859  -6.005
   72   HH21  ARG  10          HH21      ARG  10  23.498   8.485  -3.494
   73   HH22  ARG  10          HH22      ARG  10  23.872  10.080  -4.051
   74    H    ARG  11           H        ARG  11  16.765   4.396  -4.770
   75    HA   ARG  11           HA       ARG  11  15.678   6.226  -2.939
   76    HB2  ARG  11           HB2      ARG  11  14.325   5.108  -4.641
   77    HB3  ARG  11           HB3      ARG  11  14.592   3.558  -3.855
   78    HG2  ARG  11           HG2      ARG  11  12.462   4.182  -3.170
   79    HG3  ARG  11           HG3      ARG  11  13.490   4.619  -1.805
   80    HD2  ARG  11           HD2      ARG  11  12.281   6.543  -1.993
   81    HD3  ARG  11           HD3      ARG  11  13.604   6.924  -3.094
   82    HE   ARG  11           HE       ARG  11  11.431   5.654  -4.434
   83   HH11  ARG  11          HH11      ARG  11  12.546   8.696  -3.159
   84   HH12  ARG  11          HH12      ARG  11  11.589   9.650  -4.243
   85   HH21  ARG  11          HH21      ARG  11  10.166   6.900  -5.867
   86   HH22  ARG  11          HH22      ARG  11  10.235   8.627  -5.783
   87    H    GLU  12           H        GLU  12  16.727   2.868  -2.552
   88    HA   GLU  12           HA       GLU  12  15.887   2.657   0.164
   89    HB2  GLU  12           HB2      GLU  12  16.118   0.637  -1.086
   90    HB3  GLU  12           HB3      GLU  12  17.775   1.023  -1.527
   91    HG2  GLU  12           HG2      GLU  12  18.605   0.455   0.540
   92    HG3  GLU  12           HG3      GLU  12  17.060   0.712   1.348
   93    H    ILE  13           H        ILE  13  19.086   3.057  -1.353
   94    HA   ILE  13           HA       ILE  13  20.572   3.263   1.003
   95    HB   ILE  13           HB       ILE  13  21.128   4.580  -1.659
   96   HG12  ILE  13          HG12      ILE  13  22.341   2.026  -0.627
   97   HG13  ILE  13          HG13      ILE  13  20.819   2.018  -1.512
   98   HG21  ILE  13          HG21      ILE  13  22.505   5.636  -0.061
   99   HG22  ILE  13          HG22      ILE  13  22.846   4.115   0.763
  100   HG23  ILE  13          HG23      ILE  13  23.519   4.421  -0.838
  101   HD11  ILE  13          HD11      ILE  13  22.362   1.606  -3.166
  102   HD12  ILE  13          HD12      ILE  13  22.147   3.353  -3.292
  103   HD13  ILE  13          HD13      ILE  13  23.560   2.695  -2.467
  104    H    ALA  14           H        ALA  14  18.734   5.666  -0.777
  105    HA   ALA  14           HA       ALA  14  19.737   7.936   0.613
  106    HB1  ALA  14           HB1      ALA  14  18.766   8.401  -1.460
  107    HB2  ALA  14           HB2      ALA  14  17.321   7.456  -1.099
  108    HB3  ALA  14           HB3      ALA  14  17.589   9.000  -0.290
  109    H    CYS  15           H        CYS  15  17.026   5.747   1.123
  110    HA   CYS  15           HA       CYS  15  15.853   7.282   3.232
  111    HB2  CYS  15           HB2      CYS  15  15.391   4.625   1.989
  112    HB3  CYS  15           HB3      CYS  15  14.817   4.836   3.640
  113    H    GLY  16           H        GLY  16  18.182   4.662   3.037
  114    HA2  GLY  16           HA2      GLY  16  18.221   3.770   5.657
  115    HA3  GLY  16           HA3      GLY  16  19.630   3.817   4.607
  116    H    GLN  17           H        GLN  17  19.939   6.552   4.276
  117    HA   GLN  17           HA       GLN  17  21.332   7.234   6.633
  118    HB2  GLN  17           HB2      GLN  17  20.496   9.069   4.382
  119    HB3  GLN  17           HB3      GLN  17  21.779   9.364   5.548
  120    HG2  GLN  17           HG2      GLN  17  22.851   7.233   4.643
  121    HG3  GLN  17           HG3      GLN  17  21.710   7.378   3.307
  122   HE21  GLN  17          HE21      GLN  17  22.286   8.581   1.637
  123   HE22  GLN  17          HE22      GLN  17  23.585   9.719   1.612
  124    H    CYS  18           H        CYS  18  18.409   8.679   5.188
  125    HA   CYS  18           HA       CYS  18  17.852  10.482   7.235
  126    HB2  CYS  18           HB2      CYS  18  16.122   9.104   5.198
  127    HB3  CYS  18           HB3      CYS  18  15.419  10.191   6.392
  128    H    ARG  19           H        ARG  19  17.196   7.059   6.980
  129    HA   ARG  19           HA       ARG  19  15.270   6.795   8.991
  130    HB2  ARG  19           HB2      ARG  19  15.767   4.969   7.482
  131    HB3  ARG  19           HB3      ARG  19  17.415   4.869   8.087
  132    HG2  ARG  19           HG2      ARG  19  16.458   4.285  10.328
  133    HG3  ARG  19           HG3      ARG  19  14.881   4.170   9.544
  134    HD2  ARG  19           HD2      ARG  19  16.309   2.618   7.892
  135    HD3  ARG  19           HD3      ARG  19  17.228   2.377   9.378
  136    HE   ARG  19           HE       ARG  19  14.663   1.310   8.768
  137   HH11  ARG  19          HH11      ARG  19  16.622   2.522  11.379
  138   HH12  ARG  19          HH12      ARG  19  15.804   1.596  12.595
  139   HH21  ARG  19          HH21      ARG  19  13.580   0.087  10.359
  140   HH22  ARG  19          HH22      ARG  19  14.075   0.211  12.013
  141    H    ASP  20           H        ASP  20  18.780   6.975   9.154
  142    HA   ASP  20           HA       ASP  20  18.847   6.428  11.989
  143    HB2  ASP  20           HB2      ASP  20  20.893   7.085   9.901
  144    HB3  ASP  20           HB3      ASP  20  21.311   7.243  11.605
  145    H    LYS  21           H        LYS  21  19.518   9.248   9.921
  146    HA   LYS  21           HA       LYS  21  20.038  11.080  11.962
  147    HB2  LYS  21           HB2      LYS  21  18.721  11.694   9.312
  148    HB3  LYS  21           HB3      LYS  21  19.635  12.808  10.320
  149    HG2  LYS  21           HG2      LYS  21  21.541  11.019   9.964
  150    HG3  LYS  21           HG3      LYS  21  20.593  10.649   8.522
  151    HD2  LYS  21           HD2      LYS  21  21.195  13.502   9.112
  152    HD3  LYS  21           HD3      LYS  21  22.503  12.484   8.505
  153    HE2  LYS  21           HE2      LYS  21  21.635  13.244   6.530
  154    HE3  LYS  21           HE3      LYS  21  20.680  11.777   6.741
  155    HZ1  LYS  21           HZ1      LYS  21  19.156  13.516   8.029
  156    HZ2  LYS  21           HZ2      LYS  21  18.997  13.208   6.373
  157    HZ3  LYS  21           HZ3      LYS  21  19.861  14.563   6.902
  158    H    VAL  22           H        VAL  22  16.998  10.732  10.121
  159    HA   VAL  22           HA       VAL  22  15.435  12.443  11.630
  160    HB   VAL  22           HB       VAL  22  14.545   9.895  10.271
  161   HG11  VAL  22          HG11      VAL  22  12.596  10.342  11.276
  162   HG12  VAL  22          HG12      VAL  22  13.106  11.965  11.746
  163   HG13  VAL  22          HG13      VAL  22  12.468  11.673  10.127
  164   HG21  VAL  22          HG21      VAL  22  14.537  12.721   9.221
  165   HG22  VAL  22          HG22      VAL  22  15.754  11.510   8.817
  166   HG23  VAL  22          HG23      VAL  22  14.072  11.260   8.349
  167    H    LYS  23           H        LYS  23  16.479   9.202  12.342
  168    HA   LYS  23           HA       LYS  23  16.182   7.827  14.133
  169    HB2  LYS  23           HB2      LYS  23  15.919  10.558  15.359
  170    HB3  LYS  23           HB3      LYS  23  15.763   9.109  16.344
  171    HG2  LYS  23           HG2      LYS  23  18.023   8.417  15.435
  172    HG3  LYS  23           HG3      LYS  23  18.160  10.061  14.807
  173    HD2  LYS  23           HD2      LYS  23  17.534  10.717  17.269
  174    HD3  LYS  23           HD3      LYS  23  18.135   9.098  17.632
  175    HE2  LYS  23           HE2      LYS  23  20.226   9.715  16.372
  176    HE3  LYS  23           HE3      LYS  23  19.620  11.370  16.324
  177    HZ1  LYS  23           HZ1      LYS  23  20.953  10.031  18.424
  178    HZ2  LYS  23           HZ2      LYS  23  19.429  10.535  18.957
  179    HZ3  LYS  23           HZ3      LYS  23  20.514  11.661  18.314
  180    H    THR  24           H        THR  24  14.088   7.470  12.711
  181    HA   THR  24           HA       THR  24  11.860   7.447  14.612
  182    HB   THR  24           HB       THR  24  11.602   8.362  11.741
  183    HG1  THR  24           HG1      THR  24  11.154   9.724  14.208
  184   HG21  THR  24          HG21      THR  24   9.506   7.602  11.866
  185   HG22  THR  24          HG22      THR  24   9.216   8.824  13.104
  186   HG23  THR  24          HG23      THR  24   9.691   7.192  13.571
  187    H    ASP  25           H        ASP  25  11.320   5.390  14.874
  188    HA   ASP  25           HA       ASP  25  12.103   3.301  13.162
  189    HB2  ASP  25           HB2      ASP  25   9.792   3.138  15.091
  190    HB3  ASP  25           HB3      ASP  25  10.890   1.853  14.594
  191    H    GLY  26           H        GLY  26  11.173   2.364  11.437
  192    HA2  GLY  26           HA2      GLY  26   9.439   1.722   9.999
  193    HA3  GLY  26           HA3      GLY  26   8.348   2.786  10.876
  194    H    TYR  27           H        TYR  27  10.790   4.771  10.471
  195    HA   TYR  27           HA       TYR  27   9.590   6.301   8.459
  196    HB2  TYR  27           HB2      TYR  27  11.161   7.159  10.207
  197    HB3  TYR  27           HB3      TYR  27  12.487   6.417   9.319
  198    HD1  TYR  27           HD1      TYR  27   9.911   9.056   9.210
  199    HD2  TYR  27           HD2      TYR  27  13.386   7.442   7.360
  200    HE1  TYR  27           HE1      TYR  27  10.114  11.086   7.835
  201    HE2  TYR  27           HE2      TYR  27  13.599   9.467   5.980
  202    HH   TYR  27           HH       TYR  27  11.642  12.286   6.539
  203    H    PHE  28           H        PHE  28  12.349   4.081   8.339
  204    HA   PHE  28           HA       PHE  28  13.084   4.542   5.673
  205    HB2  PHE  28           HB2      PHE  28  14.588   3.355   7.113
  206    HB3  PHE  28           HB3      PHE  28  13.390   2.104   7.430
  207    HD1  PHE  28           HD1      PHE  28  15.754   3.450   4.970
  208    HD2  PHE  28           HD2      PHE  28  13.012   0.324   5.877
  209    HE1  PHE  28           HE1      PHE  28  16.655   2.124   3.104
  210    HE2  PHE  28           HE2      PHE  28  13.909  -1.008   4.013
  211    HZ   PHE  28           HZ       PHE  28  15.733  -0.109   2.624
  212    H    TYR  29           H        TYR  29  10.789   2.253   7.092
  213    HA   TYR  29           HA       TYR  29  10.140   1.023   4.590
  214    HB2  TYR  29           HB2      TYR  29   9.888  -0.199   6.693
  215    HB3  TYR  29           HB3      TYR  29   8.690   0.966   7.246
  216    HD1  TYR  29           HD1      TYR  29   9.271  -1.219   4.261
  217    HD2  TYR  29           HD2      TYR  29   6.490   0.311   7.095
  218    HE1  TYR  29           HE1      TYR  29   7.491  -2.571   3.236
  219    HE2  TYR  29           HE2      TYR  29   4.703  -1.038   6.078
  220    HH   TYR  29           HH       TYR  29   4.638  -3.251   4.676
  221    H    GLU  30           H        GLU  30   9.029   3.792   6.345
  222    HA   GLU  30           HA       GLU  30   6.503   4.026   5.020
  223    HB2  GLU  30           HB2      GLU  30   7.000   5.013   7.257
  224    HB3  GLU  30           HB3      GLU  30   8.073   6.162   6.470
  225    HG2  GLU  30           HG2      GLU  30   6.086   7.333   6.779
  226    HG3  GLU  30           HG3      GLU  30   6.052   6.850   5.084
  227    H    CYS  31           H        CYS  31   9.565   5.836   4.769
  228    HA   CYS  31           HA       CYS  31   8.813   7.435   2.594
  229    HB2  CYS  31           HB2      CYS  31  11.201   7.865   2.302
  230    HB3  CYS  31           HB3      CYS  31  10.773   7.903   4.009
  231    H    CYS  32           H        CYS  32   9.925   4.147   2.761
  232    HA   CYS  32           HA       CYS  32  10.826   3.789   0.137
  233    HB2  CYS  32           HB2      CYS  32   9.838   2.019   2.305
  234    HB3  CYS  32           HB3      CYS  32   9.828   1.351   0.676
  235    H    THR  33           H        THR  33   7.629   4.085   1.430
  236    HA   THR  33           HA       THR  33   6.538   3.711  -1.277
  237    HB   THR  33           HB       THR  33   4.598   2.583  -0.460
  238    HG1  THR  33           HG1      THR  33   4.608   2.070   1.916
  239   HG21  THR  33          HG21      THR  33   6.919   1.362  -0.613
  240   HG22  THR  33          HG22      THR  33   5.509   0.525   0.035
  241   HG23  THR  33          HG23      THR  33   6.712   1.202   1.131
  242    H    SER  34           H        SER  34   7.285   6.043   0.538
  243    HA   SER  34           HA       SER  34   4.724   7.464   0.261
  244    HB2  SER  34           HB2      SER  34   5.186   6.932   2.656
  245    HB3  SER  34           HB3      SER  34   6.681   7.859   2.537
  246    HG   SER  34           HG       SER  34   4.521   8.870   3.280
  247    H    ASP  35           H        ASP  35   5.235   8.555  -1.582
  248    HA   ASP  35           HA       ASP  35   7.717   9.685  -2.210
  249    HB2  ASP  35           HB2      ASP  35   5.080  10.809  -3.143
  250    HB3  ASP  35           HB3      ASP  35   6.620  10.788  -3.998
  251    H    SER  36           H        SER  36   4.929  11.014  -0.504
  252    HA   SER  36           HA       SER  36   5.806  13.681  -0.367
  253    HB2  SER  36           HB2      SER  36   3.492  12.645   0.220
  254    HB3  SER  36           HB3      SER  36   4.187  12.410   1.824
  255    HG   SER  36           HG       SER  36   4.139  14.504   2.165
  256    H    THR  37           H        THR  37   6.201  10.977   1.900
  257    HA   THR  37           HA       THR  37   7.561  12.364   3.911
  258    HB   THR  37           HB       THR  37   7.855   9.456   3.133
  259    HG1  THR  37           HG1      THR  37   6.214  10.657   5.132
  260   HG21  THR  37          HG21      THR  37   8.579   9.144   5.471
  261   HG22  THR  37          HG22      THR  37   8.546  10.893   5.698
  262   HG23  THR  37          HG23      THR  37   9.686  10.173   4.563
  263    H    PHE  38           H        PHE  38   8.633  11.189   0.832
  264    HA   PHE  38           HA       PHE  38  11.420  11.148   1.392
  265    HB2  PHE  38           HB2      PHE  38  10.065  10.102  -0.595
  266    HB3  PHE  38           HB3      PHE  38  10.347  11.664  -1.357
  267    HD1  PHE  38           HD1      PHE  38  12.030   8.725   0.125
  268    HD2  PHE  38           HD2      PHE  38  12.423  12.186  -2.321
  269    HE1  PHE  38           HE1      PHE  38  14.264   7.970  -0.579
  270    HE2  PHE  38           HE2      PHE  38  14.656  11.437  -3.029
  271    HZ   PHE  38           HZ       PHE  38  15.580   9.326  -2.159
  272    H    LYS  39           H        LYS  39   9.168  13.617   0.374
  273    HA   LYS  39           HA       LYS  39  10.850  15.548  -0.653
  274    HB2  LYS  39           HB2      LYS  39   8.408  15.898   1.094
  275    HB3  LYS  39           HB3      LYS  39   9.182  17.204   0.205
  276    HG2  LYS  39           HG2      LYS  39   8.723  16.025  -1.898
  277    HG3  LYS  39           HG3      LYS  39   7.909  14.749  -0.990
  278    HD2  LYS  39           HD2      LYS  39   6.303  16.413  -0.139
  279    HD3  LYS  39           HD3      LYS  39   7.100  17.655  -1.107
  280    HE2  LYS  39           HE2      LYS  39   6.358  16.748  -3.109
  281    HE3  LYS  39           HE3      LYS  39   6.083  15.157  -2.401
  282    HZ1  LYS  39           HZ1      LYS  39   4.450  17.061  -1.114
  283    HZ2  LYS  39           HZ2      LYS  39   3.988  15.701  -2.008
  284    HZ3  LYS  39           HZ3      LYS  39   4.227  17.184  -2.787
  285    H    LYS  40           H        LYS  40   9.920  15.106   2.758
  286    HA   LYS  40           HA       LYS  40  11.550  17.161   3.779
  287    HB2  LYS  40           HB2      LYS  40  10.177  14.776   4.939
  288    HB3  LYS  40           HB3      LYS  40  11.370  15.617   5.920
  289    HG2  LYS  40           HG2      LYS  40   9.180  16.459   6.425
  290    HG3  LYS  40           HG3      LYS  40  10.111  17.713   5.603
  291    HD2  LYS  40           HD2      LYS  40   8.937  17.388   3.576
  292    HD3  LYS  40           HD3      LYS  40   8.228  15.875   4.144
  293    HE2  LYS  40           HE2      LYS  40   6.530  17.542   4.248
  294    HE3  LYS  40           HE3      LYS  40   7.034  17.199   5.902
  295    HZ1  LYS  40           HZ1      LYS  40   7.864  19.526   4.256
  296    HZ2  LYS  40           HZ2      LYS  40   8.458  19.180   5.802
  297    HZ3  LYS  40           HZ3      LYS  40   6.822  19.557   5.589
  298    H    CYS  41           H        CYS  41  12.100  13.657   3.522
  299    HA   CYS  41           HA       CYS  41  14.623  13.572   4.703
  300    HB2  CYS  41           HB2      CYS  41  13.437  11.529   4.270
  301    HB3  CYS  41           HB3      CYS  41  13.405  11.851   2.539
  302    H    GLN  42           H        GLN  42  13.643  14.548   1.502
  303    HA   GLN  42           HA       GLN  42  16.206  14.437   0.288
  304    HB2  GLN  42           HB2      GLN  42  13.586  15.700  -0.382
  305    HB3  GLN  42           HB3      GLN  42  15.018  16.232  -1.251
  306    HG2  GLN  42           HG2      GLN  42  15.446  13.954  -1.979
  307    HG3  GLN  42           HG3      GLN  42  14.041  13.391  -1.075
  308   HE21  GLN  42          HE21      GLN  42  15.072  14.055  -4.061
  309   HE22  GLN  42          HE22      GLN  42  13.587  14.513  -4.815
  310    H    ASP  43           H        ASP  43  14.486  16.877   2.130
  311    HA   ASP  43           HA       ASP  43  16.261  19.023   1.552
  312    HB2  ASP  43           HB2      ASP  43  13.832  19.002   2.588
  313    HB3  ASP  43           HB3      ASP  43  14.716  18.921   4.110
  314    H    LEU  44           H        LEU  44  16.015  16.711   4.228
  315    HA   LEU  44           HA       LEU  44  18.010  17.745   5.869
  316    HB2  LEU  44           HB2      LEU  44  17.436  14.817   5.471
  317    HB3  LEU  44           HB3      LEU  44  18.106  15.593   6.905
  318    HG   LEU  44           HG       LEU  44  15.279  15.826   5.880
  319   HD11  LEU  44          HD11      LEU  44  14.634  14.516   7.690
  320   HD12  LEU  44          HD12      LEU  44  16.165  14.751   8.532
  321   HD13  LEU  44          HD13      LEU  44  16.093  13.718   7.104
  322   HD21  LEU  44          HD21      LEU  44  15.188  16.948   8.302
  323   HD22  LEU  44          HD22      LEU  44  15.457  17.877   6.827
  324   HD23  LEU  44          HD23      LEU  44  16.825  17.414   7.839
  325    H    LEU  45           H        LEU  45  18.292  15.227   3.364
  326    HA   LEU  45           HA       LEU  45  21.077  14.895   3.594
  327    HB2  LEU  45           HB2      LEU  45  19.291  14.429   1.211
  328    HB3  LEU  45           HB3      LEU  45  20.935  13.820   1.391
  329    HG   LEU  45           HG       LEU  45  18.517  13.015   3.004
  330   HD11  LEU  45          HD11      LEU  45  18.947  10.811   2.004
  331   HD12  LEU  45          HD12      LEU  45  20.237  11.518   1.032
  332   HD13  LEU  45          HD13      LEU  45  18.569  12.035   0.791
  333   HD21  LEU  45          HD21      LEU  45  21.364  12.050   3.249
  334   HD22  LEU  45          HD22      LEU  45  19.973  11.477   4.171
  335   HD23  LEU  45          HD23      LEU  45  20.556  13.129   4.387
  336    H    HIS  46           H        HIS  46  19.131  17.242   1.931
  337    HA   HIS  46           HA       HIS  46  21.377  18.231   0.370
  338    HB2  HIS  46           HB2      HIS  46  19.029  18.128  -0.541
  339    HB3  HIS  46           HB3      HIS  46  18.603  19.410   0.588
  340    HD1  HIS  46           HD1      HIS  46  18.684  21.657  -0.417
  341    HD2  HIS  46           HD2      HIS  46  21.355  19.058  -2.254
  342    HE1  HIS  46           HE1      HIS  46  19.756  22.988  -2.261
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1   0.925  -3.576  -0.086
    2    HA   ALA   1           HA       ALA   1   1.858  -0.914   0.138
    3    HB1  ALA   1           HB1      ALA   1   3.423  -1.009   1.863
    4    HB2  ALA   1           HB2      ALA   1   2.005  -1.812   2.539
    5    HB3  ALA   1           HB3      ALA   1   3.363  -2.770   1.949
    6    H    ASP   2           H        ASP   2   3.428  -0.590  -1.325
    7    HA   ASP   2           HA       ASP   2   4.744  -2.973  -2.455
    8    HB2  ASP   2           HB2      ASP   2   5.008  -1.485  -4.520
    9    HB3  ASP   2           HB3      ASP   2   3.386  -2.068  -4.160
   10    H    ASN   3           H        ASN   3   6.775  -3.121  -1.779
   11    HA   ASN   3           HA       ASN   3   8.260  -0.915  -0.770
   12    HB2  ASN   3           HB2      ASN   3   8.458  -3.509  -0.308
   13    HB3  ASN   3           HB3      ASN   3   9.610  -3.438  -1.638
   14   HD21  ASN   3          HD21      ASN   3  10.540  -4.230   0.723
   15   HD22  ASN   3          HD22      ASN   3  11.506  -3.002   1.461
   16    H    LYS   4           H        LYS   4   8.281   0.613  -2.462
   17    HA   LYS   4           HA       LYS   4   9.179   0.127  -5.073
   18    HB2  LYS   4           HB2      LYS   4   9.397   2.697  -3.493
   19    HB3  LYS   4           HB3      LYS   4   9.467   2.546  -5.244
   20    HG2  LYS   4           HG2      LYS   4   7.062   1.534  -3.812
   21    HG3  LYS   4           HG3      LYS   4   7.262   3.273  -4.035
   22    HD2  LYS   4           HD2      LYS   4   7.419   1.265  -6.278
   23    HD3  LYS   4           HD3      LYS   4   5.944   2.125  -5.832
   24    HE2  LYS   4           HE2      LYS   4   6.617   3.688  -7.282
   25    HE3  LYS   4           HE3      LYS   4   7.782   4.151  -6.043
   26    HZ1  LYS   4           HZ1      LYS   4   8.856   2.005  -7.464
   27    HZ2  LYS   4           HZ2      LYS   4   9.398   3.607  -7.431
   28    HZ3  LYS   4           HZ3      LYS   4   8.280   3.116  -8.602
   29    H    CYS   5           H        CYS   5  10.898   0.579  -2.095
   30    HA   CYS   5           HA       CYS   5  13.392   1.398  -3.037
   31    HB2  CYS   5           HB2      CYS   5  12.551  -0.233  -0.651
   32    HB3  CYS   5           HB3      CYS   5  14.247   0.126  -0.963
   33    H    GLU   6           H        GLU   6  11.788  -1.641  -3.299
   34    HA   GLU   6           HA       GLU   6  14.092  -3.265  -3.702
   35    HB2  GLU   6           HB2      GLU   6  11.156  -3.602  -4.202
   36    HB3  GLU   6           HB3      GLU   6  12.294  -4.770  -4.859
   37    HG2  GLU   6           HG2      GLU   6  12.100  -4.036  -1.949
   38    HG3  GLU   6           HG3      GLU   6  11.315  -5.431  -2.687
   39    H    ASN   7           H        ASN   7  12.196  -1.187  -5.731
   40    HA   ASN   7           HA       ASN   7  13.386  -2.252  -8.170
   41    HB2  ASN   7           HB2      ASN   7  10.932  -1.499  -7.929
   42    HB3  ASN   7           HB3      ASN   7  11.566   0.142  -8.007
   43   HD21  ASN   7          HD21      ASN   7  10.732   0.724  -9.939
   44   HD22  ASN   7          HD22      ASN   7  11.158  -0.017 -11.441
   45    H    SER   8           H        SER   8  13.635   0.479  -6.019
   46    HA   SER   8           HA       SER   8  15.748   1.601  -7.742
   47    HB2  SER   8           HB2      SER   8  13.872   3.144  -7.573
   48    HB3  SER   8           HB3      SER   8  13.909   3.040  -5.813
   49    HG   SER   8           HG       SER   8  14.985   4.907  -6.600
   50    H    LEU   9           H        LEU   9  17.705   1.243  -6.954
   51    HA   LEU   9           HA       LEU   9  18.183   0.390  -4.289
   52    HB2  LEU   9           HB2      LEU   9  20.404   0.153  -4.903
   53    HB3  LEU   9           HB3      LEU   9  19.534  -0.094  -6.416
   54    HG   LEU   9           HG       LEU   9  20.038   2.516  -6.658
   55   HD11  LEU   9          HD11      LEU   9  22.112   1.453  -4.773
   56   HD12  LEU   9          HD12      LEU   9  21.198   2.958  -4.685
   57   HD13  LEU   9          HD13      LEU   9  22.470   2.769  -5.891
   58   HD21  LEU   9          HD21      LEU   9  22.117   1.830  -7.904
   59   HD22  LEU   9          HD22      LEU   9  20.645   0.961  -8.341
   60   HD23  LEU   9          HD23      LEU   9  21.846   0.196  -7.299
   61    H    ARG  10           H        ARG  10  18.318   3.484  -5.911
   62    HA   ARG  10           HA       ARG  10  19.803   4.880  -3.952
   63    HB2  ARG  10           HB2      ARG  10  18.058   5.624  -6.242
   64    HB3  ARG  10           HB3      ARG  10  18.368   6.859  -5.030
   65    HG2  ARG  10           HG2      ARG  10  20.767   5.444  -5.909
   66    HG3  ARG  10           HG3      ARG  10  19.942   6.331  -7.192
   67    HD2  ARG  10           HD2      ARG  10  20.837   7.456  -4.540
   68    HD3  ARG  10           HD3      ARG  10  21.618   7.724  -6.098
   69    HE   ARG  10           HE       ARG  10  19.229   8.994  -5.108
   70   HH11  ARG  10          HH11      ARG  10  21.098   8.162  -7.925
   71   HH12  ARG  10          HH12      ARG  10  20.419   9.419  -8.907
   72   HH21  ARG  10          HH21      ARG  10  18.328  10.652  -6.390
   73   HH22  ARG  10          HH22      ARG  10  18.845  10.835  -8.033
   74    H    ARG  11           H        ARG  11  16.391   4.142  -4.309
   75    HA   ARG  11           HA       ARG  11  15.370   5.925  -2.396
   76    HB2  ARG  11           HB2      ARG  11  14.199   4.304  -4.133
   77    HB3  ARG  11           HB3      ARG  11  14.131   3.232  -2.741
   78    HG2  ARG  11           HG2      ARG  11  12.084   4.374  -2.761
   79    HG3  ARG  11           HG3      ARG  11  13.039   5.146  -1.494
   80    HD2  ARG  11           HD2      ARG  11  12.128   6.948  -2.644
   81    HD3  ARG  11           HD3      ARG  11  13.742   6.802  -3.339
   82    HE   ARG  11           HE       ARG  11  12.239   5.309  -5.006
   83   HH11  ARG  11          HH11      ARG  11  11.898   8.545  -3.768
   84   HH12  ARG  11          HH12      ARG  11  11.069   9.134  -5.170
   85   HH21  ARG  11          HH21      ARG  11  11.149   6.073  -6.859
   86   HH22  ARG  11          HH22      ARG  11  10.643   7.728  -6.927
   87    H    GLU  12           H        GLU  12  16.625   2.633  -2.098
   88    HA   GLU  12           HA       GLU  12  15.999   2.376   0.673
   89    HB2  GLU  12           HB2      GLU  12  16.245   0.367  -0.583
   90    HB3  GLU  12           HB3      GLU  12  17.831   0.847  -1.168
   91    HG2  GLU  12           HG2      GLU  12  17.495   0.598   1.759
   92    HG3  GLU  12           HG3      GLU  12  17.488  -0.890   0.813
   93    H    ILE  13           H        ILE  13  19.046   2.958  -1.077
   94    HA   ILE  13           HA       ILE  13  20.688   3.248   1.166
   95    HB   ILE  13           HB       ILE  13  20.968   4.558  -1.541
   96   HG12  ILE  13          HG12      ILE  13  22.163   2.007  -0.436
   97   HG13  ILE  13          HG13      ILE  13  20.864   2.097  -1.620
   98   HG21  ILE  13          HG21      ILE  13  22.987   4.169   0.664
   99   HG22  ILE  13          HG22      ILE  13  23.358   4.739  -0.962
  100   HG23  ILE  13          HG23      ILE  13  22.329   5.704   0.097
  101   HD11  ILE  13          HD11      ILE  13  22.498   3.370  -3.083
  102   HD12  ILE  13          HD12      ILE  13  23.746   2.844  -1.954
  103   HD13  ILE  13          HD13      ILE  13  22.804   1.650  -2.846
  104    H    ALA  14           H        ALA  14  18.686   5.587  -0.549
  105    HA   ALA  14           HA       ALA  14  19.638   7.876   0.844
  106    HB1  ALA  14           HB1      ALA  14  18.617   8.317  -1.213
  107    HB2  ALA  14           HB2      ALA  14  17.203   7.336  -0.825
  108    HB3  ALA  14           HB3      ALA  14  17.451   8.884  -0.017
  109    H    CYS  15           H        CYS  15  16.844   5.737   1.280
  110    HA   CYS  15           HA       CYS  15  15.696   7.166   3.433
  111    HB2  CYS  15           HB2      CYS  15  15.367   4.450   2.256
  112    HB3  CYS  15           HB3      CYS  15  14.741   4.716   3.880
  113    H    GLY  16           H        GLY  16  18.192   4.722   3.240
  114    HA2  GLY  16           HA2      GLY  16  18.265   3.852   5.886
  115    HA3  GLY  16           HA3      GLY  16  19.655   3.916   4.813
  116    H    GLN  17           H        GLN  17  19.921   6.628   4.411
  117    HA   GLN  17           HA       GLN  17  21.302   7.416   6.738
  118    HB2  GLN  17           HB2      GLN  17  20.406   9.236   4.503
  119    HB3  GLN  17           HB3      GLN  17  21.772   9.466   5.587
  120    HG2  GLN  17           HG2      GLN  17  22.836   7.464   4.607
  121    HG3  GLN  17           HG3      GLN  17  21.499   7.352   3.464
  122   HE21  GLN  17          HE21      GLN  17  22.276   7.909   1.555
  123   HE22  GLN  17          HE22      GLN  17  23.213   9.320   1.217
  124    H    CYS  18           H        CYS  18  18.361   8.793   5.260
  125    HA   CYS  18           HA       CYS  18  17.775  10.617   7.282
  126    HB2  CYS  18           HB2      CYS  18  16.094   9.208   5.230
  127    HB3  CYS  18           HB3      CYS  18  15.341  10.258   6.427
  128    H    ARG  19           H        ARG  19  17.152   7.185   7.066
  129    HA   ARG  19           HA       ARG  19  15.216   6.922   9.063
  130    HB2  ARG  19           HB2      ARG  19  15.776   5.087   7.572
  131    HB3  ARG  19           HB3      ARG  19  17.402   5.007   8.237
  132    HG2  ARG  19           HG2      ARG  19  16.338   4.473  10.460
  133    HG3  ARG  19           HG3      ARG  19  14.819   4.281   9.583
  134    HD2  ARG  19           HD2      ARG  19  15.492   2.134   9.428
  135    HD3  ARG  19           HD3      ARG  19  16.433   2.749   8.070
  136    HE   ARG  19           HE       ARG  19  18.102   3.088  10.163
  137   HH11  ARG  19          HH11      ARG  19  16.267   0.368   9.001
  138   HH12  ARG  19          HH12      ARG  19  17.402  -0.809   9.574
  139   HH21  ARG  19          HH21      ARG  19  19.604   1.548  10.923
  140   HH22  ARG  19          HH22      ARG  19  19.299  -0.136  10.668
  141    H    ASP  20           H        ASP  20  18.720   7.157   9.260
  142    HA   ASP  20           HA       ASP  20  18.766   6.655  12.103
  143    HB2  ASP  20           HB2      ASP  20  20.668   5.931  10.799
  144    HB3  ASP  20           HB3      ASP  20  20.912   7.560  10.175
  145    H    LYS  21           H        LYS  21  19.462   9.453  10.011
  146    HA   LYS  21           HA       LYS  21  19.920  11.322  12.022
  147    HB2  LYS  21           HB2      LYS  21  18.779  11.676   9.248
  148    HB3  LYS  21           HB3      LYS  21  19.234  13.018  10.290
  149    HG2  LYS  21           HG2      LYS  21  21.240  10.893   9.723
  150    HG3  LYS  21           HG3      LYS  21  20.884  12.097   8.482
  151    HD2  LYS  21           HD2      LYS  21  22.569  13.178   9.577
  152    HD3  LYS  21           HD3      LYS  21  21.196  13.756  10.524
  153    HE2  LYS  21           HE2      LYS  21  21.703  12.417  12.325
  154    HE3  LYS  21           HE3      LYS  21  22.557  11.231  11.338
  155    HZ1  LYS  21           HZ1      LYS  21  24.036  12.569  12.760
  156    HZ2  LYS  21           HZ2      LYS  21  23.564  13.962  11.925
  157    HZ3  LYS  21           HZ3      LYS  21  24.395  12.731  11.115
  158    H    VAL  22           H        VAL  22  16.896  10.869  10.177
  159    HA   VAL  22           HA       VAL  22  15.299  12.592  11.648
  160    HB   VAL  22           HB       VAL  22  14.459  10.019  10.304
  161   HG11  VAL  22          HG11      VAL  22  12.371  11.817  10.150
  162   HG12  VAL  22          HG12      VAL  22  12.475  10.432  11.239
  163   HG13  VAL  22          HG13      VAL  22  12.979  12.030  11.791
  164   HG21  VAL  22          HG21      VAL  22  14.098  11.261   8.341
  165   HG22  VAL  22          HG22      VAL  22  14.262  12.802   9.184
  166   HG23  VAL  22          HG23      VAL  22  15.678  11.783   8.926
  167    H    LYS  23           H        LYS  23  16.421   9.402  12.426
  168    HA   LYS  23           HA       LYS  23  16.140   8.046  14.234
  169    HB2  LYS  23           HB2      LYS  23  15.685  10.768  15.440
  170    HB3  LYS  23           HB3      LYS  23  15.668   9.306  16.418
  171    HG2  LYS  23           HG2      LYS  23  17.989   8.903  15.232
  172    HG3  LYS  23           HG3      LYS  23  17.935  10.658  15.060
  173    HD2  LYS  23           HD2      LYS  23  17.584  10.870  17.483
  174    HD3  LYS  23           HD3      LYS  23  17.674   9.115  17.641
  175    HE2  LYS  23           HE2      LYS  23  19.938   9.060  17.209
  176    HE3  LYS  23           HE3      LYS  23  19.911  10.582  16.319
  177    HZ1  LYS  23           HZ1      LYS  23  20.885  10.441  18.729
  178    HZ2  LYS  23           HZ2      LYS  23  19.265  10.633  19.176
  179    HZ3  LYS  23           HZ3      LYS  23  20.024  11.805  18.221
  180    H    THR  24           H        THR  24  14.040   7.764  12.677
  181    HA   THR  24           HA       THR  24  11.779   7.642  14.552
  182    HB   THR  24           HB       THR  24  11.594   8.444  11.642
  183    HG1  THR  24           HG1      THR  24  10.689  10.379  12.661
  184   HG21  THR  24          HG21      THR  24   9.154   8.802  12.275
  185   HG22  THR  24          HG22      THR  24   9.487   7.816  13.699
  186   HG23  THR  24          HG23      THR  24   9.681   7.130  12.086
  187    H    ASP  25           H        ASP  25  11.295   5.581  14.874
  188    HA   ASP  25           HA       ASP  25  12.195   3.463  13.244
  189    HB2  ASP  25           HB2      ASP  25  10.714   2.044  14.644
  190    HB3  ASP  25           HB3      ASP  25  11.742   3.108  15.599
  191    H    GLY  26           H        GLY  26  11.316   2.440  11.542
  192    HA2  GLY  26           HA2      GLY  26   9.612   1.678  10.125
  193    HA3  GLY  26           HA3      GLY  26   8.479   2.733  10.955
  194    H    TYR  27           H        TYR  27  10.793   4.825  10.518
  195    HA   TYR  27           HA       TYR  27   9.576   6.236   8.452
  196    HB2  TYR  27           HB2      TYR  27  11.157   7.170  10.165
  197    HB3  TYR  27           HB3      TYR  27  12.482   6.455   9.254
  198    HD1  TYR  27           HD1      TYR  27   9.735   8.936   9.060
  199    HD2  TYR  27           HD2      TYR  27  13.383   7.546   7.366
  200    HE1  TYR  27           HE1      TYR  27   9.837  10.945   7.645
  201    HE2  TYR  27           HE2      TYR  27  13.494   9.552   5.947
  202    HH   TYR  27           HH       TYR  27  11.596  12.274   6.459
  203    H    PHE  28           H        PHE  28  12.491   4.202   8.363
  204    HA   PHE  28           HA       PHE  28  13.200   4.554   5.714
  205    HB2  PHE  28           HB2      PHE  28  14.660   3.347   7.185
  206    HB3  PHE  28           HB3      PHE  28  13.436   2.117   7.483
  207    HD1  PHE  28           HD1      PHE  28  12.939   0.425   5.806
  208    HD2  PHE  28           HD2      PHE  28  15.985   3.332   5.184
  209    HE1  PHE  28           HE1      PHE  28  13.847  -0.927   3.962
  210    HE2  PHE  28           HE2      PHE  28  16.897   1.986   3.338
  211    HZ   PHE  28           HZ       PHE  28  15.828  -0.146   2.724
  212    H    TYR  29           H        TYR  29  10.911   2.222   7.094
  213    HA   TYR  29           HA       TYR  29  10.254   1.068   4.558
  214    HB2  TYR  29           HB2      TYR  29  10.007  -0.302   6.512
  215    HB3  TYR  29           HB3      TYR  29   8.954   0.882   7.279
  216    HD1  TYR  29           HD1      TYR  29   9.119  -1.216   4.190
  217    HD2  TYR  29           HD2      TYR  29   6.673   0.526   7.203
  218    HE1  TYR  29           HE1      TYR  29   7.157  -2.362   3.251
  219    HE2  TYR  29           HE2      TYR  29   4.703  -0.617   6.274
  220    HH   TYR  29           HH       TYR  29   3.912  -1.784   4.514
  221    H    GLU  30           H        GLU  30   9.174   3.796   6.367
  222    HA   GLU  30           HA       GLU  30   6.601   4.033   5.137
  223    HB2  GLU  30           HB2      GLU  30   7.200   5.020   7.356
  224    HB3  GLU  30           HB3      GLU  30   8.221   6.178   6.516
  225    HG2  GLU  30           HG2      GLU  30   6.276   7.365   6.863
  226    HG3  GLU  30           HG3      GLU  30   6.086   6.783   5.210
  227    H    CYS  31           H        CYS  31   9.651   5.843   4.768
  228    HA   CYS  31           HA       CYS  31   8.794   7.413   2.597
  229    HB2  CYS  31           HB2      CYS  31  11.230   7.804   2.212
  230    HB3  CYS  31           HB3      CYS  31  10.727   8.074   3.878
  231    H    CYS  32           H        CYS  32  10.017   4.168   2.792
  232    HA   CYS  32           HA       CYS  32  10.886   3.805   0.156
  233    HB2  CYS  32           HB2      CYS  32  10.009   2.033   2.369
  234    HB3  CYS  32           HB3      CYS  32   9.990   1.340   0.750
  235    H    THR  33           H        THR  33   7.715   4.073   1.484
  236    HA   THR  33           HA       THR  33   6.584   3.570  -1.184
  237    HB   THR  33           HB       THR  33   4.692   2.419  -0.302
  238    HG1  THR  33           HG1      THR  33   4.100   2.622   1.725
  239   HG21  THR  33          HG21      THR  33   5.723   0.441   0.003
  240   HG22  THR  33          HG22      THR  33   6.633   1.023   1.397
  241   HG23  THR  33          HG23      THR  33   7.208   1.360  -0.235
  242    H    SER  34           H        SER  34   7.308   5.979   0.538
  243    HA   SER  34           HA       SER  34   4.715   7.336   0.244
  244    HB2  SER  34           HB2      SER  34   5.209   6.870   2.653
  245    HB3  SER  34           HB3      SER  34   6.668   7.849   2.500
  246    HG   SER  34           HG       SER  34   4.049   8.623   2.734
  247    H    ASP  35           H        ASP  35   5.090   8.532  -1.529
  248    HA   ASP  35           HA       ASP  35   7.587   9.659  -2.224
  249    HB2  ASP  35           HB2      ASP  35   4.789  10.327  -3.159
  250    HB3  ASP  35           HB3      ASP  35   6.258  10.970  -3.889
  251    H    SER  36           H        SER  36   4.825  10.868  -0.430
  252    HA   SER  36           HA       SER  36   5.598  13.591  -0.386
  253    HB2  SER  36           HB2      SER  36   4.028  12.350   1.848
  254    HB3  SER  36           HB3      SER  36   3.823  13.925   1.082
  255    HG   SER  36           HG       SER  36   2.189  12.607   0.356
  256    H    THR  37           H        THR  37   6.153  10.895   1.840
  257    HA   THR  37           HA       THR  37   7.455  12.368   3.855
  258    HB   THR  37           HB       THR  37   7.815   9.453   3.134
  259    HG1  THR  37           HG1      THR  37   6.239   9.159   4.790
  260   HG21  THR  37          HG21      THR  37   8.406   9.311   5.607
  261   HG22  THR  37          HG22      THR  37   8.595  11.064   5.555
  262   HG23  THR  37          HG23      THR  37   9.615  10.036   4.548
  263    H    PHE  38           H        PHE  38   8.533  11.153   0.793
  264    HA   PHE  38           HA       PHE  38  11.320  11.158   1.323
  265    HB2  PHE  38           HB2      PHE  38   9.934  10.123  -0.664
  266    HB3  PHE  38           HB3      PHE  38  10.247  11.682  -1.420
  267    HD1  PHE  38           HD1      PHE  38  11.872   8.709   0.058
  268    HD2  PHE  38           HD2      PHE  38  12.335  12.172  -2.373
  269    HE1  PHE  38           HE1      PHE  38  14.095   7.918  -0.639
  270    HE2  PHE  38           HE2      PHE  38  14.558  11.387  -3.075
  271    HZ   PHE  38           HZ       PHE  38  15.442   9.258  -2.207
  272    H    LYS  39           H        LYS  39   9.041  13.603   0.285
  273    HA   LYS  39           HA       LYS  39  10.728  15.550  -0.715
  274    HB2  LYS  39           HB2      LYS  39   8.032  15.398   0.168
  275    HB3  LYS  39           HB3      LYS  39   8.750  16.820   0.914
  276    HG2  LYS  39           HG2      LYS  39   9.620  17.246  -1.536
  277    HG3  LYS  39           HG3      LYS  39   8.237  16.232  -1.951
  278    HD2  LYS  39           HD2      LYS  39   6.715  17.728  -0.923
  279    HD3  LYS  39           HD3      LYS  39   8.017  18.621  -0.133
  280    HE2  LYS  39           HE2      LYS  39   8.815  19.382  -2.318
  281    HE3  LYS  39           HE3      LYS  39   7.517  18.486  -3.106
  282    HZ1  LYS  39           HZ1      LYS  39   5.903  19.880  -2.027
  283    HZ2  LYS  39           HZ2      LYS  39   7.014  20.858  -2.844
  284    HZ3  LYS  39           HZ3      LYS  39   7.109  20.695  -1.163
  285    H    LYS  40           H        LYS  40   9.763  15.029   2.669
  286    HA   LYS  40           HA       LYS  40  11.293  17.140   3.743
  287    HB2  LYS  40           HB2      LYS  40  10.087  14.644   4.902
  288    HB3  LYS  40           HB3      LYS  40  11.100  15.692   5.888
  289    HG2  LYS  40           HG2      LYS  40   8.935  16.410   6.335
  290    HG3  LYS  40           HG3      LYS  40   9.535  17.580   5.158
  291    HD2  LYS  40           HD2      LYS  40   8.275  16.637   3.415
  292    HD3  LYS  40           HD3      LYS  40   7.981  15.150   4.319
  293    HE2  LYS  40           HE2      LYS  40   6.482  16.253   5.800
  294    HE3  LYS  40           HE3      LYS  40   6.939  17.839   5.183
  295    HZ1  LYS  40           HZ1      LYS  40   5.109  15.875   4.072
  296    HZ2  LYS  40           HZ2      LYS  40   6.088  16.681   2.952
  297    HZ3  LYS  40           HZ3      LYS  40   5.074  17.564   3.979
  298    H    CYS  41           H        CYS  41  11.957  13.650   3.519
  299    HA   CYS  41           HA       CYS  41  14.468  13.655   4.720
  300    HB2  CYS  41           HB2      CYS  41  13.355  11.572   4.288
  301    HB3  CYS  41           HB3      CYS  41  13.330  11.882   2.555
  302    H    GLN  42           H        GLN  42  13.505  14.501   1.464
  303    HA   GLN  42           HA       GLN  42  16.044  14.464   0.254
  304    HB2  GLN  42           HB2      GLN  42  13.441  15.801  -0.354
  305    HB3  GLN  42           HB3      GLN  42  14.876  16.286  -1.247
  306    HG2  GLN  42           HG2      GLN  42  15.189  13.798  -1.736
  307    HG3  GLN  42           HG3      GLN  42  13.525  13.614  -1.183
  308   HE21  GLN  42          HE21      GLN  42  15.413  14.032  -3.830
  309   HE22  GLN  42          HE22      GLN  42  14.252  14.710  -4.915
  310    H    ASP  43           H        ASP  43  14.325  16.951   2.065
  311    HA   ASP  43           HA       ASP  43  16.176  19.041   1.550
  312    HB2  ASP  43           HB2      ASP  43  13.790  19.296   2.377
  313    HB3  ASP  43           HB3      ASP  43  14.378  18.812   3.965
  314    H    LEU  44           H        LEU  44  15.918  16.571   4.040
  315    HA   LEU  44           HA       LEU  44  17.814  17.581   5.838
  316    HB2  LEU  44           HB2      LEU  44  17.232  14.683   5.256
  317    HB3  LEU  44           HB3      LEU  44  17.944  15.342   6.727
  318    HG   LEU  44           HG       LEU  44  15.108  15.732   5.776
  319   HD11  LEU  44          HD11      LEU  44  15.857  14.453   8.352
  320   HD12  LEU  44          HD12      LEU  44  16.009  13.511   6.869
  321   HD13  LEU  44          HD13      LEU  44  14.447  14.192   7.325
  322   HD21  LEU  44          HD21      LEU  44  14.953  16.697   8.181
  323   HD22  LEU  44          HD22      LEU  44  15.551  17.717   6.873
  324   HD23  LEU  44          HD23      LEU  44  16.686  16.965   7.995
  325    H    LEU  45           H        LEU  45  18.210  15.215   3.205
  326    HA   LEU  45           HA       LEU  45  21.033  15.022   3.524
  327    HB2  LEU  45           HB2      LEU  45  19.284  14.294   1.180
  328    HB3  LEU  45           HB3      LEU  45  20.973  13.830   1.374
  329    HG   LEU  45           HG       LEU  45  18.722  12.965   3.189
  330   HD11  LEU  45          HD11      LEU  45  18.238  11.723   1.350
  331   HD12  LEU  45          HD12      LEU  45  19.502  10.705   2.039
  332   HD13  LEU  45          HD13      LEU  45  19.882  11.809   0.718
  333   HD21  LEU  45          HD21      LEU  45  21.021  11.301   3.296
  334   HD22  LEU  45          HD22      LEU  45  20.305  12.276   4.580
  335   HD23  LEU  45          HD23      LEU  45  21.538  12.972   3.527
  336    H    HIS  46           H        HIS  46  18.921  17.138   1.764
  337    HA   HIS  46           HA       HIS  46  21.220  18.322   0.365
  338    HB2  HIS  46           HB2      HIS  46  19.023  17.552  -0.833
  339    HB3  HIS  46           HB3      HIS  46  18.374  19.067  -0.213
  340    HD1  HIS  46           HD1      HIS  46  21.384  20.392  -0.692
  341    HD2  HIS  46           HD2      HIS  46  18.790  18.673  -3.445
  342    HE1  HIS  46           HE1      HIS  46  22.032  21.359  -2.921
  Start of MODEL   21
    1    H1   ALA   1           H1       ALA   1  -0.030  -0.570  -0.290
    2    HA   ALA   1           HA       ALA   1   1.586   1.351  -1.781
    3    HB1  ALA   1           HB1      ALA   1   3.098   0.923   0.510
    4    HB2  ALA   1           HB2      ALA   1   2.261   2.408   0.056
    5    HB3  ALA   1           HB3      ALA   1   1.467   1.234   1.105
    6    H    ASP   2           H        ASP   2   3.817   0.598  -2.102
    7    HA   ASP   2           HA       ASP   2   4.293  -2.235  -1.629
    8    HB2  ASP   2           HB2      ASP   2   3.932  -1.008  -4.347
    9    HB3  ASP   2           HB3      ASP   2   4.985  -2.403  -4.130
   10    H    ASN   3           H        ASN   3   6.415  -2.720  -1.388
   11    HA   ASN   3           HA       ASN   3   8.271  -0.722  -0.861
   12    HB2  ASN   3           HB2      ASN   3   8.268  -3.263  -0.254
   13    HB3  ASN   3           HB3      ASN   3   9.165  -3.442  -1.759
   14   HD21  ASN   3          HD21      ASN   3  10.899  -4.215  -0.439
   15   HD22  ASN   3          HD22      ASN   3  11.935  -3.095   0.372
   16    H    LYS   4           H        LYS   4   9.044   0.715  -2.255
   17    HA   LYS   4           HA       LYS   4   9.442  -0.028  -5.050
   18    HB2  LYS   4           HB2      LYS   4   9.843   2.697  -3.824
   19    HB3  LYS   4           HB3      LYS   4   9.587   2.303  -5.519
   20    HG2  LYS   4           HG2      LYS   4   7.543   1.920  -3.341
   21    HG3  LYS   4           HG3      LYS   4   7.610   3.303  -4.436
   22    HD2  LYS   4           HD2      LYS   4   7.554   0.555  -5.590
   23    HD3  LYS   4           HD3      LYS   4   6.059   1.238  -4.947
   24    HE2  LYS   4           HE2      LYS   4   6.199   3.108  -6.437
   25    HE3  LYS   4           HE3      LYS   4   7.811   2.629  -6.966
   26    HZ1  LYS   4           HZ1      LYS   4   5.280   1.773  -7.930
   27    HZ2  LYS   4           HZ2      LYS   4   6.205   0.447  -7.435
   28    HZ3  LYS   4           HZ3      LYS   4   6.817   1.520  -8.590
   29    H    CYS   5           H        CYS   5  11.237   0.800  -2.179
   30    HA   CYS   5           HA       CYS   5  13.709   1.455  -3.281
   31    HB2  CYS   5           HB2      CYS   5  13.046   0.039  -0.694
   32    HB3  CYS   5           HB3      CYS   5  14.653   0.629  -1.104
   33    H    GLU   6           H        GLU   6  12.097  -1.592  -3.057
   34    HA   GLU   6           HA       GLU   6  14.231  -3.375  -3.156
   35    HB2  GLU   6           HB2      GLU   6  12.693  -5.001  -3.897
   36    HB3  GLU   6           HB3      GLU   6  11.749  -3.892  -2.913
   37    HG2  GLU   6           HG2      GLU   6  11.168  -2.731  -5.119
   38    HG3  GLU   6           HG3      GLU   6  11.781  -4.192  -5.891
   39    H    ASN   7           H        ASN   7  12.828  -1.379  -5.657
   40    HA   ASN   7           HA       ASN   7  14.613  -2.592  -7.651
   41    HB2  ASN   7           HB2      ASN   7  12.322  -0.676  -8.129
   42    HB3  ASN   7           HB3      ASN   7  13.210  -1.590  -9.345
   43   HD21  ASN   7          HD21      ASN   7  13.313  -4.070  -8.443
   44   HD22  ASN   7          HD22      ASN   7  11.734  -4.728  -8.203
   45    H    SER   8           H        SER   8  13.897   0.350  -5.933
   46    HA   SER   8           HA       SER   8  15.828   1.862  -7.523
   47    HB2  SER   8           HB2      SER   8  14.077   2.803  -5.240
   48    HB3  SER   8           HB3      SER   8  15.024   3.823  -6.322
   49    HG   SER   8           HG       SER   8  12.601   3.291  -6.703
   50    H    LEU   9           H        LEU   9  17.767   0.917  -6.873
   51    HA   LEU   9           HA       LEU   9  18.567   0.371  -4.265
   52    HB2  LEU   9           HB2      LEU   9  20.771   0.225  -5.090
   53    HB3  LEU   9           HB3      LEU   9  19.713  -0.309  -6.394
   54    HG   LEU   9           HG       LEU   9  19.978   2.243  -7.115
   55   HD11  LEU   9          HD11      LEU   9  21.815   3.325  -6.391
   56   HD12  LEU   9          HD12      LEU   9  22.763   1.845  -6.244
   57   HD13  LEU   9          HD13      LEU   9  21.616   2.287  -4.979
   58   HD21  LEU   9          HD21      LEU   9  20.849   1.214  -8.875
   59   HD22  LEU   9          HD22      LEU   9  21.040  -0.248  -7.907
   60   HD23  LEU   9          HD23      LEU   9  22.352   0.928  -7.998
   61    H    ARG  10           H        ARG  10  18.664   3.372  -6.096
   62    HA   ARG  10           HA       ARG  10  20.253   4.824  -4.245
   63    HB2  ARG  10           HB2      ARG  10  18.516   5.516  -6.569
   64    HB3  ARG  10           HB3      ARG  10  18.974   6.803  -5.461
   65    HG2  ARG  10           HG2      ARG  10  21.368   6.089  -5.814
   66    HG3  ARG  10           HG3      ARG  10  20.774   5.072  -7.128
   67    HD2  ARG  10           HD2      ARG  10  19.636   7.262  -7.949
   68    HD3  ARG  10           HD3      ARG  10  20.819   8.054  -6.908
   69    HE   ARG  10           HE       ARG  10  22.434   7.567  -8.449
   70   HH11  ARG  10          HH11      ARG  10  19.666   5.539  -9.039
   71   HH12  ARG  10          HH12      ARG  10  20.297   4.884 -10.513
   72   HH21  ARG  10          HH21      ARG  10  23.275   6.712 -10.389
   73   HH22  ARG  10          HH22      ARG  10  22.350   5.551 -11.280
   74    H    ARG  11           H        ARG  11  16.816   4.214  -4.552
   75    HA   ARG  11           HA       ARG  11  15.901   6.187  -2.759
   76    HB2  ARG  11           HB2      ARG  11  14.508   4.843  -4.391
   77    HB3  ARG  11           HB3      ARG  11  14.605   3.507  -3.251
   78    HG2  ARG  11           HG2      ARG  11  12.582   4.461  -2.713
   79    HG3  ARG  11           HG3      ARG  11  13.667   5.224  -1.549
   80    HD2  ARG  11           HD2      ARG  11  12.306   6.948  -2.437
   81    HD3  ARG  11           HD3      ARG  11  13.894   7.129  -3.180
   82    HE   ARG  11           HE       ARG  11  12.955   6.675  -5.217
   83   HH11  ARG  11          HH11      ARG  11  10.741   5.731  -2.701
   84   HH12  ARG  11          HH12      ARG  11   9.435   5.404  -3.793
   85   HH21  ARG  11          HH21      ARG  11  11.244   6.247  -6.664
   86   HH22  ARG  11          HH22      ARG  11   9.723   5.697  -6.047
   87    H    GLU  12           H        GLU  12  17.096   2.916  -2.292
   88    HA   GLU  12           HA       GLU  12  16.334   2.701   0.441
   89    HB2  GLU  12           HB2      GLU  12  16.736   0.683  -0.769
   90    HB3  GLU  12           HB3      GLU  12  18.346   1.211  -1.240
   91    HG2  GLU  12           HG2      GLU  12  19.212   0.873   0.904
   92    HG3  GLU  12           HG3      GLU  12  17.610   0.801   1.634
   93    H    ILE  13           H        ILE  13  19.460   3.360  -1.134
   94    HA   ILE  13           HA       ILE  13  20.997   3.726   1.144
   95    HB   ILE  13           HB       ILE  13  21.262   5.196  -1.481
   96   HG12  ILE  13          HG12      ILE  13  22.686   2.694  -0.564
   97   HG13  ILE  13          HG13      ILE  13  21.249   2.673  -1.580
   98   HG21  ILE  13          HG21      ILE  13  23.088   4.891   0.877
   99   HG22  ILE  13          HG22      ILE  13  23.719   5.210  -0.738
  100   HG23  ILE  13          HG23      ILE  13  22.617   6.359   0.020
  101   HD11  ILE  13          HD11      ILE  13  22.987   2.472  -3.091
  102   HD12  ILE  13          HD12      ILE  13  22.607   4.193  -3.147
  103   HD13  ILE  13          HD13      ILE  13  24.003   3.628  -2.230
  104    H    ALA  14           H        ALA  14  18.870   5.990  -0.518
  105    HA   ALA  14           HA       ALA  14  19.635   8.282   0.980
  106    HB1  ALA  14           HB1      ALA  14  17.619   7.614  -1.029
  107    HB2  ALA  14           HB2      ALA  14  17.098   8.834   0.134
  108    HB3  ALA  14           HB3      ALA  14  18.564   9.088  -0.813
  109    H    CYS  15           H        CYS  15  16.945   5.981   1.257
  110    HA   CYS  15           HA       CYS  15  15.702   7.231   3.463
  111    HB2  CYS  15           HB2      CYS  15  15.514   4.589   2.116
  112    HB3  CYS  15           HB3      CYS  15  14.894   4.691   3.760
  113    H    GLY  16           H        GLY  16  18.235   4.801   3.199
  114    HA2  GLY  16           HA2      GLY  16  18.323   3.886   5.822
  115    HA3  GLY  16           HA3      GLY  16  19.714   3.985   4.753
  116    H    GLN  17           H        GLN  17  19.959   6.709   4.414
  117    HA   GLN  17           HA       GLN  17  21.330   7.450   6.764
  118    HB2  GLN  17           HB2      GLN  17  20.453   9.186   4.450
  119    HB3  GLN  17           HB3      GLN  17  21.655   9.620   5.658
  120    HG2  GLN  17           HG2      GLN  17  23.082   7.793   4.908
  121    HG3  GLN  17           HG3      GLN  17  21.875   7.339   3.707
  122   HE21  GLN  17          HE21      GLN  17  21.223   9.203   2.239
  123   HE22  GLN  17          HE22      GLN  17  22.512  10.177   1.628
  124    H    CYS  18           H        CYS  18  18.372   8.811   5.307
  125    HA   CYS  18           HA       CYS  18  17.768  10.611   7.344
  126    HB2  CYS  18           HB2      CYS  18  16.208   9.266   5.193
  127    HB3  CYS  18           HB3      CYS  18  15.306  10.064   6.477
  128    H    ARG  19           H        ARG  19  17.193   7.172   7.105
  129    HA   ARG  19           HA       ARG  19  15.271   6.868   9.111
  130    HB2  ARG  19           HB2      ARG  19  15.845   5.052   7.603
  131    HB3  ARG  19           HB3      ARG  19  17.477   4.989   8.255
  132    HG2  ARG  19           HG2      ARG  19  16.439   4.421  10.481
  133    HG3  ARG  19           HG3      ARG  19  14.914   4.219   9.616
  134    HD2  ARG  19           HD2      ARG  19  16.521   2.716   8.073
  135    HD3  ARG  19           HD3      ARG  19  17.337   2.529   9.625
  136    HE   ARG  19           HE       ARG  19  14.843   1.378   8.848
  137   HH11  ARG  19          HH11      ARG  19  16.655   2.589  11.563
  138   HH12  ARG  19          HH12      ARG  19  15.814   1.617  12.725
  139   HH21  ARG  19          HH21      ARG  19  13.729   0.093  10.368
  140   HH22  ARG  19          HH22      ARG  19  14.151   0.197  12.044
  141    H    ASP  20           H        ASP  20  18.773   7.147   9.290
  142    HA   ASP  20           HA       ASP  20  18.843   6.622  12.128
  143    HB2  ASP  20           HB2      ASP  20  20.695   6.165  10.343
  144    HB3  ASP  20           HB3      ASP  20  21.112   7.856  10.604
  145    H    LYS  21           H        LYS  21  19.492   9.447  10.057
  146    HA   LYS  21           HA       LYS  21  19.938  11.306  12.078
  147    HB2  LYS  21           HB2      LYS  21  18.651  11.787   9.384
  148    HB3  LYS  21           HB3      LYS  21  19.377  13.017  10.410
  149    HG2  LYS  21           HG2      LYS  21  21.049  10.701   9.591
  150    HG3  LYS  21           HG3      LYS  21  20.687  11.948   8.394
  151    HD2  LYS  21           HD2      LYS  21  22.564  12.875   9.275
  152    HD3  LYS  21           HD3      LYS  21  21.398  13.520  10.433
  153    HE2  LYS  21           HE2      LYS  21  22.946  12.656  11.875
  154    HE3  LYS  21           HE3      LYS  21  21.901  11.250  11.678
  155    HZ1  LYS  21           HZ1      LYS  21  23.790  11.171   9.637
  156    HZ2  LYS  21           HZ2      LYS  21  23.651  10.129  10.961
  157    HZ3  LYS  21           HZ3      LYS  21  24.634  11.501  11.065
  158    H    VAL  22           H        VAL  22  16.899  10.792  10.276
  159    HA   VAL  22           HA       VAL  22  15.295  12.487  11.785
  160    HB   VAL  22           HB       VAL  22  14.475   9.927  10.405
  161   HG11  VAL  22          HG11      VAL  22  12.515  10.305  11.416
  162   HG12  VAL  22          HG12      VAL  22  12.979  11.935  11.907
  163   HG13  VAL  22          HG13      VAL  22  12.347  11.647  10.286
  164   HG21  VAL  22          HG21      VAL  22  14.199  12.712   9.324
  165   HG22  VAL  22          HG22      VAL  22  15.660  11.761   9.063
  166   HG23  VAL  22          HG23      VAL  22  14.109  11.177   8.460
  167    H    LYS  23           H        LYS  23  16.510   9.333  12.523
  168    HA   LYS  23           HA       LYS  23  16.260   7.937  14.305
  169    HB2  LYS  23           HB2      LYS  23  15.749  10.628  15.558
  170    HB3  LYS  23           HB3      LYS  23  15.785   9.151  16.511
  171    HG2  LYS  23           HG2      LYS  23  18.079   8.731  15.756
  172    HG3  LYS  23           HG3      LYS  23  18.039  10.236  14.834
  173    HD2  LYS  23           HD2      LYS  23  17.632  11.471  16.935
  174    HD3  LYS  23           HD3      LYS  23  17.773   9.954  17.827
  175    HE2  LYS  23           HE2      LYS  23  20.065   9.693  17.046
  176    HE3  LYS  23           HE3      LYS  23  19.926  11.177  16.103
  177    HZ1  LYS  23           HZ1      LYS  23  20.687  12.215  17.895
  178    HZ2  LYS  23           HZ2      LYS  23  20.512  10.846  18.873
  179    HZ3  LYS  23           HZ3      LYS  23  19.204  11.894  18.644
  180    H    THR  24           H        THR  24  14.191   7.522  12.811
  181    HA   THR  24           HA       THR  24  11.946   7.335  14.689
  182    HB   THR  24           HB       THR  24  11.688   8.243  11.816
  183    HG1  THR  24           HG1      THR  24  11.014   9.580  14.243
  184   HG21  THR  24          HG21      THR  24   9.234   8.578  12.822
  185   HG22  THR  24          HG22      THR  24   9.735   7.186  13.782
  186   HG23  THR  24          HG23      THR  24   9.735   7.089  12.022
  187    H    ASP  25           H        ASP  25  11.521   5.250  14.939
  188    HA   ASP  25           HA       ASP  25  12.453   3.215  13.234
  189    HB2  ASP  25           HB2      ASP  25  11.163   1.693  14.607
  190    HB3  ASP  25           HB3      ASP  25  11.920   2.902  15.641
  191    H    GLY  26           H        GLY  26  11.604   2.241  11.490
  192    HA2  GLY  26           HA2      GLY  26   9.921   1.492  10.040
  193    HA3  GLY  26           HA3      GLY  26   8.763   2.495  10.902
  194    H    TYR  27           H        TYR  27  11.022   4.655  10.556
  195    HA   TYR  27           HA       TYR  27   9.792   6.125   8.552
  196    HB2  TYR  27           HB2      TYR  27  11.397   6.992  10.284
  197    HB3  TYR  27           HB3      TYR  27  12.709   6.334   9.313
  198    HD1  TYR  27           HD1      TYR  27  10.085   8.905   9.476
  199    HD2  TYR  27           HD2      TYR  27  13.404   7.408   7.274
  200    HE1  TYR  27           HE1      TYR  27  10.136  10.979   8.156
  201    HE2  TYR  27           HE2      TYR  27  13.465   9.479   5.948
  202    HH   TYR  27           HH       TYR  27  11.213  12.145   6.599
  203    H    PHE  28           H        PHE  28  12.712   4.108   8.347
  204    HA   PHE  28           HA       PHE  28  13.393   4.567   5.708
  205    HB2  PHE  28           HB2      PHE  28  14.867   3.302   7.114
  206    HB3  PHE  28           HB3      PHE  28  13.647   2.059   7.372
  207    HD1  PHE  28           HD1      PHE  28  13.134   0.438   5.631
  208    HD2  PHE  28           HD2      PHE  28  16.173   3.371   5.102
  209    HE1  PHE  28           HE1      PHE  28  14.025  -0.834   3.723
  210    HE2  PHE  28           HE2      PHE  28  17.068   2.104   3.192
  211    HZ   PHE  28           HZ       PHE  28  15.994  -0.001   2.500
  212    H    TYR  29           H        TYR  29  11.112   2.187   7.016
  213    HA   TYR  29           HA       TYR  29  10.433   1.130   4.444
  214    HB2  TYR  29           HB2      TYR  29  10.230  -0.242   6.458
  215    HB3  TYR  29           HB3      TYR  29   9.031   0.867   7.113
  216    HD1  TYR  29           HD1      TYR  29   9.667  -1.667   4.511
  217    HD2  TYR  29           HD2      TYR  29   6.747   0.772   6.415
  218    HE1  TYR  29           HE1      TYR  29   7.883  -2.964   3.424
  219    HE2  TYR  29           HE2      TYR  29   4.955  -0.519   5.333
  220    HH   TYR  29           HH       TYR  29   5.631  -3.426   3.506
  221    H    GLU  30           H        GLU  30   9.351   3.775   6.383
  222    HA   GLU  30           HA       GLU  30   6.779   4.069   5.174
  223    HB2  GLU  30           HB2      GLU  30   7.207   4.984   7.384
  224    HB3  GLU  30           HB3      GLU  30   8.474   6.020   6.741
  225    HG2  GLU  30           HG2      GLU  30   6.829   7.243   5.430
  226    HG3  GLU  30           HG3      GLU  30   5.552   6.192   6.040
  227    H    CYS  31           H        CYS  31   9.829   5.886   4.848
  228    HA   CYS  31           HA       CYS  31   8.955   7.536   2.742
  229    HB2  CYS  31           HB2      CYS  31  11.384   7.952   2.361
  230    HB3  CYS  31           HB3      CYS  31  10.895   8.149   4.040
  231    H    CYS  32           H        CYS  32  10.187   4.288   2.814
  232    HA   CYS  32           HA       CYS  32  10.984   4.067   0.116
  233    HB2  CYS  32           HB2      CYS  32  10.349   2.181   2.321
  234    HB3  CYS  32           HB3      CYS  32  10.294   1.535   0.684
  235    H    THR  33           H        THR  33   7.888   4.059   1.648
  236    HA   THR  33           HA       THR  33   6.633   3.464  -0.952
  237    HB   THR  33           HB       THR  33   4.718   2.476   0.248
  238    HG1  THR  33           HG1      THR  33   5.118   3.576   2.272
  239   HG21  THR  33          HG21      THR  33   6.668   1.098  -0.562
  240   HG22  THR  33          HG22      THR  33   5.720   0.368   0.734
  241   HG23  THR  33          HG23      THR  33   7.274   1.120   1.094
  242    H    SER  34           H        SER  34   7.390   5.987   0.582
  243    HA   SER  34           HA       SER  34   4.765   7.280   0.314
  244    HB2  SER  34           HB2      SER  34   5.329   6.914   2.734
  245    HB3  SER  34           HB3      SER  34   6.744   7.942   2.506
  246    HG   SER  34           HG       SER  34   4.112   8.626   2.789
  247    H    ASP  35           H        ASP  35   5.076   8.425  -1.501
  248    HA   ASP  35           HA       ASP  35   7.542   9.553  -2.301
  249    HB2  ASP  35           HB2      ASP  35   5.642   8.982  -3.833
  250    HB3  ASP  35           HB3      ASP  35   4.778  10.382  -3.203
  251    H    SER  36           H        SER  36   4.856  10.761  -0.415
  252    HA   SER  36           HA       SER  36   5.612  13.505  -0.502
  253    HB2  SER  36           HB2      SER  36   3.921  12.070   1.560
  254    HB3  SER  36           HB3      SER  36   3.983  13.812   1.290
  255    HG   SER  36           HG       SER  36   2.191  12.688   0.265
  256    H    THR  37           H        THR  37   6.033  10.942   1.926
  257    HA   THR  37           HA       THR  37   7.375  12.438   3.854
  258    HB   THR  37           HB       THR  37   7.805   9.515   3.208
  259    HG1  THR  37           HG1      THR  37   5.787  10.920   4.552
  260   HG21  THR  37          HG21      THR  37   9.536  10.282   4.675
  261   HG22  THR  37          HG22      THR  37   8.366   9.392   5.649
  262   HG23  THR  37          HG23      THR  37   8.376  11.155   5.674
  263    H    PHE  38           H        PHE  38   8.497  11.115   0.842
  264    HA   PHE  38           HA       PHE  38  11.272  11.160   1.374
  265    HB2  PHE  38           HB2      PHE  38   9.970  10.058  -0.586
  266    HB3  PHE  38           HB3      PHE  38  10.124  11.631  -1.362
  267    HD1  PHE  38           HD1      PHE  38  12.206   9.062   0.357
  268    HD2  PHE  38           HD2      PHE  38  11.966  12.041  -2.674
  269    HE1  PHE  38           HE1      PHE  38  14.462   8.453  -0.415
  270    HE2  PHE  38           HE2      PHE  38  14.221  11.436  -3.452
  271    HZ   PHE  38           HZ       PHE  38  15.471   9.640  -2.322
  272    H    LYS  39           H        LYS  39   8.997  13.598   0.313
  273    HA   LYS  39           HA       LYS  39  10.701  15.537  -0.687
  274    HB2  LYS  39           HB2      LYS  39   8.161  15.846   0.919
  275    HB3  LYS  39           HB3      LYS  39   8.967  17.179   0.102
  276    HG2  LYS  39           HG2      LYS  39   8.754  15.634  -1.995
  277    HG3  LYS  39           HG3      LYS  39   7.473  14.874  -1.049
  278    HD2  LYS  39           HD2      LYS  39   7.612  17.842  -1.541
  279    HD3  LYS  39           HD3      LYS  39   6.749  16.729  -2.606
  280    HE2  LYS  39           HE2      LYS  39   5.259  16.093  -0.859
  281    HE3  LYS  39           HE3      LYS  39   6.226  16.933   0.352
  282    HZ1  LYS  39           HZ1      LYS  39   5.666  18.930  -1.315
  283    HZ2  LYS  39           HZ2      LYS  39   4.708  18.538   0.023
  284    HZ3  LYS  39           HZ3      LYS  39   4.275  17.989  -1.517
  285    H    LYS  40           H        LYS  40   9.582  15.180   2.679
  286    HA   LYS  40           HA       LYS  40  11.099  17.259   3.767
  287    HB2  LYS  40           HB2      LYS  40   9.845  14.781   4.879
  288    HB3  LYS  40           HB3      LYS  40  10.928  15.719   5.899
  289    HG2  LYS  40           HG2      LYS  40   8.646  16.379   6.296
  290    HG3  LYS  40           HG3      LYS  40   9.526  17.704   5.531
  291    HD2  LYS  40           HD2      LYS  40   8.552  17.133   3.377
  292    HD3  LYS  40           HD3      LYS  40   7.718  15.756   4.100
  293    HE2  LYS  40           HE2      LYS  40   6.086  17.426   3.993
  294    HE3  LYS  40           HE3      LYS  40   6.641  17.469   5.666
  295    HZ1  LYS  40           HZ1      LYS  40   6.639  19.543   3.784
  296    HZ2  LYS  40           HZ2      LYS  40   8.248  19.201   4.175
  297    HZ3  LYS  40           HZ3      LYS  40   7.146  19.592   5.397
  298    H    CYS  41           H        CYS  41  11.836  13.775   3.634
  299    HA   CYS  41           HA       CYS  41  14.330  13.851   4.852
  300    HB2  CYS  41           HB2      CYS  41  13.265  11.740   4.426
  301    HB3  CYS  41           HB3      CYS  41  13.267  12.029   2.689
  302    H    GLN  42           H        GLN  42  13.436  14.455   1.496
  303    HA   GLN  42           HA       GLN  42  16.006  14.533   0.388
  304    HB2  GLN  42           HB2      GLN  42  13.371  15.736  -0.365
  305    HB3  GLN  42           HB3      GLN  42  14.818  16.208  -1.245
  306    HG2  GLN  42           HG2      GLN  42  14.042  13.335  -0.881
  307    HG3  GLN  42           HG3      GLN  42  13.426  14.317  -2.209
  308   HE21  GLN  42          HE21      GLN  42  14.973  15.236  -3.683
  309   HE22  GLN  42          HE22      GLN  42  16.474  14.428  -3.964
  310    H    ASP  43           H        ASP  43  14.136  16.973   2.092
  311    HA   ASP  43           HA       ASP  43  15.889  19.143   1.521
  312    HB2  ASP  43           HB2      ASP  43  13.551  19.500   2.182
  313    HB3  ASP  43           HB3      ASP  43  13.889  18.807   3.767
  314    H    LEU  44           H        LEU  44  15.567  16.888   4.228
  315    HA   LEU  44           HA       LEU  44  17.369  18.017   6.002
  316    HB2  LEU  44           HB2      LEU  44  16.957  15.075   5.493
  317    HB3  LEU  44           HB3      LEU  44  17.621  15.800   6.956
  318    HG   LEU  44           HG       LEU  44  14.784  16.065   5.962
  319   HD11  LEU  44          HD11      LEU  44  15.275  14.909   8.592
  320   HD12  LEU  44          HD12      LEU  44  15.944  13.952   7.271
  321   HD13  LEU  44          HD13      LEU  44  14.227  14.356   7.285
  322   HD21  LEU  44          HD21      LEU  44  16.326  17.685   7.766
  323   HD22  LEU  44          HD22      LEU  44  15.008  16.891   8.629
  324   HD23  LEU  44          HD23      LEU  44  14.663  17.892   7.217
  325    H    LEU  45           H        LEU  45  18.028  15.575   3.493
  326    HA   LEU  45           HA       LEU  45  20.836  15.563   3.930
  327    HB2  LEU  45           HB2      LEU  45  19.281  14.707   1.494
  328    HB3  LEU  45           HB3      LEU  45  20.956  14.292   1.853
  329    HG   LEU  45           HG       LEU  45  18.631  13.451   3.576
  330   HD11  LEU  45          HD11      LEU  45  19.882  12.138   1.192
  331   HD12  LEU  45          HD12      LEU  45  18.175  12.352   1.578
  332   HD13  LEU  45          HD13      LEU  45  19.142  11.184   2.478
  333   HD21  LEU  45          HD21      LEU  45  21.425  12.342   3.386
  334   HD22  LEU  45          HD22      LEU  45  20.182  11.934   4.569
  335   HD23  LEU  45          HD23      LEU  45  20.920  13.537   4.581
  336    H    HIS  46           H        HIS  46  18.698  17.533   2.044
  337    HA   HIS  46           HA       HIS  46  20.380  18.531   0.085
  338    HB2  HIS  46           HB2      HIS  46  17.871  19.001   0.537
  339    HB3  HIS  46           HB3      HIS  46  18.457  20.319   1.549
  340    HD1  HIS  46           HD1      HIS  46  20.043  19.370  -1.734
  341    HD2  HIS  46           HD2      HIS  46  17.659  22.366  -0.120
  342    HE1  HIS  46           HE1      HIS  46  19.937  21.166  -3.492
  Start of MODEL   22
    1    H1   ALA   1           H1       ALA   1  -0.149  -0.449  -0.890
    2    HA   ALA   1           HA       ALA   1   1.189   1.032  -2.951
    3    HB1  ALA   1           HB1      ALA   1   1.634   1.718  -0.075
    4    HB2  ALA   1           HB2      ALA   1   2.948   1.870  -1.241
    5    HB3  ALA   1           HB3      ALA   1   1.459   2.786  -1.468
    6    H    ASP   2           H        ASP   2   3.644   0.523  -2.845
    7    HA   ASP   2           HA       ASP   2   4.157  -2.108  -1.673
    8    HB2  ASP   2           HB2      ASP   2   5.266  -2.705  -3.944
    9    HB3  ASP   2           HB3      ASP   2   3.517  -2.851  -3.789
   10    H    ASN   3           H        ASN   3   6.504  -2.726  -1.933
   11    HA   ASN   3           HA       ASN   3   8.122  -0.534  -1.057
   12    HB2  ASN   3           HB2      ASN   3   8.199  -3.117  -0.454
   13    HB3  ASN   3           HB3      ASN   3   9.333  -3.159  -1.800
   14   HD21  ASN   3          HD21      ASN   3  10.652  -3.890   0.133
   15   HD22  ASN   3          HD22      ASN   3  11.527  -2.659   0.970
   16    H    LYS   4           H        LYS   4   8.661   0.940  -2.559
   17    HA   LYS   4           HA       LYS   4   9.361   0.167  -5.255
   18    HB2  LYS   4           HB2      LYS   4   9.508   2.886  -3.939
   19    HB3  LYS   4           HB3      LYS   4   9.608   2.557  -5.664
   20    HG2  LYS   4           HG2      LYS   4   7.200   1.867  -4.004
   21    HG3  LYS   4           HG3      LYS   4   7.397   3.415  -4.830
   22    HD2  LYS   4           HD2      LYS   4   7.642   0.802  -6.292
   23    HD3  LYS   4           HD3      LYS   4   6.077   1.576  -6.033
   24    HE2  LYS   4           HE2      LYS   4   6.816   3.553  -7.205
   25    HE3  LYS   4           HE3      LYS   4   8.443   2.892  -7.362
   26    HZ1  LYS   4           HZ1      LYS   4   6.249   1.297  -8.436
   27    HZ2  LYS   4           HZ2      LYS   4   7.821   1.506  -9.022
   28    HZ3  LYS   4           HZ3      LYS   4   6.656   2.705  -9.281
   29    H    CYS   5           H        CYS   5  11.016   1.561  -2.443
   30    HA   CYS   5           HA       CYS   5  13.530   1.933  -3.570
   31    HB2  CYS   5           HB2      CYS   5  14.390   1.977  -1.328
   32    HB3  CYS   5           HB3      CYS   5  12.792   2.715  -1.305
   33    H    GLU   6           H        GLU   6  11.924  -0.979  -2.603
   34    HA   GLU   6           HA       GLU   6  14.019  -2.718  -2.151
   35    HB2  GLU   6           HB2      GLU   6  11.488  -3.147  -2.047
   36    HB3  GLU   6           HB3      GLU   6  11.603  -3.508  -3.764
   37    HG2  GLU   6           HG2      GLU   6  12.995  -5.368  -3.386
   38    HG3  GLU   6           HG3      GLU   6  13.298  -4.897  -1.714
   39    H    ASN   7           H        ASN   7  12.905  -1.344  -5.153
   40    HA   ASN   7           HA       ASN   7  14.780  -3.026  -6.662
   41    HB2  ASN   7           HB2      ASN   7  12.307  -1.514  -7.380
   42    HB3  ASN   7           HB3      ASN   7  13.535  -1.741  -8.622
   43   HD21  ASN   7          HD21      ASN   7  12.526  -3.168  -9.908
   44   HD22  ASN   7          HD22      ASN   7  12.026  -4.747  -9.414
   45    H    SER   8           H        SER   8  14.109   0.252  -5.696
   46    HA   SER   8           HA       SER   8  16.189   1.334  -7.422
   47    HB2  SER   8           HB2      SER   8  14.333   2.660  -5.432
   48    HB3  SER   8           HB3      SER   8  15.518   3.522  -6.415
   49    HG   SER   8           HG       SER   8  13.913   3.605  -7.782
   50    H    LEU   9           H        LEU   9  18.233   1.234  -6.798
   51    HA   LEU   9           HA       LEU   9  19.036   0.652  -4.140
   52    HB2  LEU   9           HB2      LEU   9  21.222   0.652  -4.940
   53    HB3  LEU   9           HB3      LEU   9  20.255   0.130  -6.318
   54    HG   LEU   9           HG       LEU   9  20.372   2.734  -6.875
   55   HD11  LEU   9          HD11      LEU   9  21.627   3.553  -5.094
   56   HD12  LEU   9          HD12      LEU   9  22.807   3.383  -6.393
   57   HD13  LEU   9          HD13      LEU   9  22.728   2.176  -5.110
   58   HD21  LEU   9          HD21      LEU   9  22.751   1.009  -7.478
   59   HD22  LEU   9          HD22      LEU   9  21.961   2.206  -8.505
   60   HD23  LEU   9          HD23      LEU   9  21.164   0.668  -8.168
   61    H    ARG  10           H        ARG  10  18.740   3.610  -5.999
   62    HA   ARG  10           HA       ARG  10  20.160   5.276  -4.185
   63    HB2  ARG  10           HB2      ARG  10  18.448   5.655  -6.566
   64    HB3  ARG  10           HB3      ARG  10  18.505   7.008  -5.444
   65    HG2  ARG  10           HG2      ARG  10  20.794   7.324  -5.752
   66    HG3  ARG  10           HG3      ARG  10  21.014   5.717  -6.447
   67    HD2  ARG  10           HD2      ARG  10  20.786   6.595  -8.473
   68    HD3  ARG  10           HD3      ARG  10  19.133   7.051  -8.064
   69    HE   ARG  10           HE       ARG  10  21.425   8.781  -8.211
   70   HH11  ARG  10          HH11      ARG  10  18.251   8.333  -6.853
   71   HH12  ARG  10          HH12      ARG  10  17.975  10.025  -6.606
   72   HH21  ARG  10          HH21      ARG  10  21.073  11.012  -7.891
   73   HH22  ARG  10          HH22      ARG  10  19.581  11.549  -7.198
   74    H    ARG  11           H        ARG  11  16.726   4.523  -4.632
   75    HA   ARG  11           HA       ARG  11  15.715   6.298  -2.706
   76    HB2  ARG  11           HB2      ARG  11  14.324   5.169  -4.405
   77    HB3  ARG  11           HB3      ARG  11  14.580   3.636  -3.582
   78    HG2  ARG  11           HG2      ARG  11  12.527   4.233  -2.771
   79    HG3  ARG  11           HG3      ARG  11  13.583   4.910  -1.529
   80    HD2  ARG  11           HD2      ARG  11  12.099   6.644  -1.980
   81    HD3  ARG  11           HD3      ARG  11  13.516   7.057  -2.945
   82    HE   ARG  11           HE       ARG  11  11.864   5.578  -4.590
   83   HH11  ARG  11          HH11      ARG  11  11.689   8.572  -2.823
   84   HH12  ARG  11          HH12      ARG  11  10.591   9.317  -3.937
   85   HH21  ARG  11          HH21      ARG  11  10.418   6.548  -6.065
   86   HH22  ARG  11          HH22      ARG  11   9.868   8.164  -5.780
   87    H    GLU  12           H        GLU  12  17.012   3.044  -2.448
   88    HA   GLU  12           HA       GLU  12  16.193   2.618   0.250
   89    HB2  GLU  12           HB2      GLU  12  16.871   0.866  -1.512
   90    HB3  GLU  12           HB3      GLU  12  18.528   1.256  -1.072
   91    HG2  GLU  12           HG2      GLU  12  17.725   0.784   1.348
   92    HG3  GLU  12           HG3      GLU  12  16.404  -0.068   0.551
   93    H    ILE  13           H        ILE  13  19.267   3.573  -1.256
   94    HA   ILE  13           HA       ILE  13  20.749   3.787   1.122
   95    HB   ILE  13           HB       ILE  13  21.127   5.283  -1.475
   96   HG12  ILE  13          HG12      ILE  13  22.749   2.924  -0.591
   97   HG13  ILE  13          HG13      ILE  13  21.173   2.660  -1.330
   98   HG21  ILE  13          HG21      ILE  13  22.896   4.953   0.933
   99   HG22  ILE  13          HG22      ILE  13  23.521   5.403  -0.652
  100   HG23  ILE  13          HG23      ILE  13  22.359   6.447   0.166
  101   HD11  ILE  13          HD11      ILE  13  23.646   3.831  -2.525
  102   HD12  ILE  13          HD12      ILE  13  22.629   2.515  -3.115
  103   HD13  ILE  13          HD13      ILE  13  22.060   4.182  -3.211
  104    H    ALA  14           H        ALA  14  18.602   6.020  -0.516
  105    HA   ALA  14           HA       ALA  14  19.334   8.336   0.960
  106    HB1  ALA  14           HB1      ALA  14  17.556   7.703  -1.154
  107    HB2  ALA  14           HB2      ALA  14  16.633   8.531   0.101
  108    HB3  ALA  14           HB3      ALA  14  18.067   9.293  -0.587
  109    H    CYS  15           H        CYS  15  16.826   5.872   1.361
  110    HA   CYS  15           HA       CYS  15  15.598   7.134   3.606
  111    HB2  CYS  15           HB2      CYS  15  15.376   4.473   2.265
  112    HB3  CYS  15           HB3      CYS  15  14.717   4.654   3.887
  113    H    GLY  16           H        GLY  16  18.141   4.750   3.180
  114    HA2  GLY  16           HA2      GLY  16  18.304   3.757   5.784
  115    HA3  GLY  16           HA3      GLY  16  19.650   3.856   4.658
  116    H    GLN  17           H        GLN  17  19.921   6.580   4.356
  117    HA   GLN  17           HA       GLN  17  21.377   7.258   6.683
  118    HB2  GLN  17           HB2      GLN  17  20.521   8.996   4.362
  119    HB3  GLN  17           HB3      GLN  17  21.712   9.444   5.576
  120    HG2  GLN  17           HG2      GLN  17  22.864   7.216   4.805
  121    HG3  GLN  17           HG3      GLN  17  21.918   7.494   3.343
  122   HE21  GLN  17          HE21      GLN  17  24.120   7.627   2.429
  123   HE22  GLN  17          HE22      GLN  17  24.910   9.163   2.435
  124    H    CYS  18           H        CYS  18  18.442   8.720   5.279
  125    HA   CYS  18           HA       CYS  18  17.926  10.526   7.335
  126    HB2  CYS  18           HB2      CYS  18  16.251   9.215   5.235
  127    HB3  CYS  18           HB3      CYS  18  15.446  10.121   6.512
  128    H    ARG  19           H        ARG  19  17.242   7.108   7.088
  129    HA   ARG  19           HA       ARG  19  15.327   6.821   9.085
  130    HB2  ARG  19           HB2      ARG  19  15.919   4.986   7.614
  131    HB3  ARG  19           HB3      ARG  19  17.549   4.941   8.273
  132    HG2  ARG  19           HG2      ARG  19  16.529   4.377  10.495
  133    HG3  ARG  19           HG3      ARG  19  14.987   4.194   9.655
  134    HD2  ARG  19           HD2      ARG  19  16.512   2.654   8.091
  135    HD3  ARG  19           HD3      ARG  19  17.402   2.482   9.603
  136    HE   ARG  19           HE       ARG  19  14.819   1.391   8.979
  137   HH11  ARG  19          HH11      ARG  19  16.947   2.423  11.534
  138   HH12  ARG  19          HH12      ARG  19  16.202   1.422  12.736
  139   HH21  ARG  19          HH21      ARG  19  13.829   0.070  10.552
  140   HH22  ARG  19          HH22      ARG  19  14.429   0.084  12.176
  141    H    ASP  20           H        ASP  20  18.825   7.112   9.313
  142    HA   ASP  20           HA       ASP  20  18.853   6.621  12.158
  143    HB2  ASP  20           HB2      ASP  20  20.911   7.275  10.088
  144    HB3  ASP  20           HB3      ASP  20  21.299   7.528  11.787
  145    H    LYS  21           H        LYS  21  19.425   9.420  10.039
  146    HA   LYS  21           HA       LYS  21  19.894  11.318  12.023
  147    HB2  LYS  21           HB2      LYS  21  18.519  11.769   9.368
  148    HB3  LYS  21           HB3      LYS  21  19.318  12.993  10.348
  149    HG2  LYS  21           HG2      LYS  21  21.431  12.223   9.826
  150    HG3  LYS  21           HG3      LYS  21  20.849  10.615   9.388
  151    HD2  LYS  21           HD2      LYS  21  20.208  11.269   7.291
  152    HD3  LYS  21           HD3      LYS  21  19.899  12.935   7.787
  153    HE2  LYS  21           HE2      LYS  21  21.822  12.960   6.386
  154    HE3  LYS  21           HE3      LYS  21  22.377  13.220   8.039
  155    HZ1  LYS  21           HZ1      LYS  21  23.300  11.327   6.290
  156    HZ2  LYS  21           HZ2      LYS  21  22.330  10.451   7.364
  157    HZ3  LYS  21           HZ3      LYS  21  23.608  11.391   7.952
  158    H    VAL  22           H        VAL  22  16.829  10.771  10.274
  159    HA   VAL  22           HA       VAL  22  15.238  12.448  11.818
  160    HB   VAL  22           HB       VAL  22  14.396   9.887  10.453
  161   HG11  VAL  22          HG11      VAL  22  12.429  10.289  11.425
  162   HG12  VAL  22          HG12      VAL  22  12.940  11.885  11.980
  163   HG13  VAL  22          HG13      VAL  22  12.302  11.680  10.348
  164   HG21  VAL  22          HG21      VAL  22  15.578  11.601   9.032
  165   HG22  VAL  22          HG22      VAL  22  13.944  11.181   8.516
  166   HG23  VAL  22          HG23      VAL  22  14.237  12.693   9.375
  167    H    LYS  23           H        LYS  23  16.486   9.299  12.519
  168    HA   LYS  23           HA       LYS  23  16.260   7.882  14.289
  169    HB2  LYS  23           HB2      LYS  23  15.848  10.585  15.539
  170    HB3  LYS  23           HB3      LYS  23  15.787   9.121  16.512
  171    HG2  LYS  23           HG2      LYS  23  18.078   8.575  15.562
  172    HG3  LYS  23           HG3      LYS  23  18.108  10.240  14.974
  173    HD2  LYS  23           HD2      LYS  23  17.516  10.856  17.419
  174    HD3  LYS  23           HD3      LYS  23  18.085   9.228  17.795
  175    HE2  LYS  23           HE2      LYS  23  20.257   9.696  17.082
  176    HE3  LYS  23           HE3      LYS  23  19.749  11.108  16.158
  177    HZ1  LYS  23           HZ1      LYS  23  20.559  12.177  17.950
  178    HZ2  LYS  23           HZ2      LYS  23  20.343  10.863  18.992
  179    HZ3  LYS  23           HZ3      LYS  23  19.029  11.853  18.597
  180    H    THR  24           H        THR  24  14.108   7.631  12.778
  181    HA   THR  24           HA       THR  24  11.912   7.416  14.722
  182    HB   THR  24           HB       THR  24  11.621   8.290  11.841
  183    HG1  THR  24           HG1      THR  24  12.290   9.826  13.627
  184   HG21  THR  24          HG21      THR  24   9.196   8.624  12.624
  185   HG22  THR  24          HG22      THR  24   9.612   7.527  13.941
  186   HG23  THR  24          HG23      THR  24   9.725   6.980  12.269
  187    H    ASP  25           H        ASP  25  11.461   5.341  15.001
  188    HA   ASP  25           HA       ASP  25  12.352   3.271  13.320
  189    HB2  ASP  25           HB2      ASP  25  11.204   1.786  14.762
  190    HB3  ASP  25           HB3      ASP  25  11.715   3.125  15.786
  191    H    GLY  26           H        GLY  26  11.473   2.258  11.608
  192    HA2  GLY  26           HA2      GLY  26   9.795   1.533  10.150
  193    HA3  GLY  26           HA3      GLY  26   8.641   2.536  11.017
  194    H    TYR  27           H        TYR  27  11.023   4.620  10.596
  195    HA   TYR  27           HA       TYR  27   9.744   6.112   8.605
  196    HB2  TYR  27           HB2      TYR  27  11.326   7.008  10.332
  197    HB3  TYR  27           HB3      TYR  27  12.653   6.321   9.402
  198    HD1  TYR  27           HD1      TYR  27   9.980   8.865   9.381
  199    HD2  TYR  27           HD2      TYR  27  13.468   7.397   7.435
  200    HE1  TYR  27           HE1      TYR  27  10.075  10.911   8.019
  201    HE2  TYR  27           HE2      TYR  27  13.573   9.439   6.069
  202    HH   TYR  27           HH       TYR  27  12.274  12.152   6.715
  203    H    PHE  28           H        PHE  28  12.691   4.127   8.427
  204    HA   PHE  28           HA       PHE  28  13.360   4.562   5.781
  205    HB2  PHE  28           HB2      PHE  28  14.859   3.343   7.201
  206    HB3  PHE  28           HB3      PHE  28  13.661   2.082   7.478
  207    HD1  PHE  28           HD1      PHE  28  13.173   0.430   5.758
  208    HD2  PHE  28           HD2      PHE  28  16.160   3.408   5.187
  209    HE1  PHE  28           HE1      PHE  28  14.085  -0.852   3.865
  210    HE2  PHE  28           HE2      PHE  28  17.076   2.131   3.293
  211    HZ   PHE  28           HZ       PHE  28  16.039  -0.002   2.631
  212    H    TYR  29           H        TYR  29  11.137   2.143   7.121
  213    HA   TYR  29           HA       TYR  29  10.467   1.056   4.559
  214    HB2  TYR  29           HB2      TYR  29  10.274  -0.387   6.461
  215    HB3  TYR  29           HB3      TYR  29   9.225   0.754   7.296
  216    HD1  TYR  29           HD1      TYR  29   9.412  -1.793   4.669
  217    HD2  TYR  29           HD2      TYR  29   6.875   0.935   6.725
  218    HE1  TYR  29           HE1      TYR  29   7.442  -2.933   3.738
  219    HE2  TYR  29           HE2      TYR  29   4.898  -0.199   5.801
  220    HH   TYR  29           HH       TYR  29   4.879  -3.152   4.572
  221    H    GLU  30           H        GLU  30   9.358   3.702   6.468
  222    HA   GLU  30           HA       GLU  30   6.761   3.922   5.289
  223    HB2  GLU  30           HB2      GLU  30   7.167   4.871   7.480
  224    HB3  GLU  30           HB3      GLU  30   8.433   5.907   6.837
  225    HG2  GLU  30           HG2      GLU  30   6.826   7.162   5.561
  226    HG3  GLU  30           HG3      GLU  30   5.535   6.064   6.044
  227    H    CYS  31           H        CYS  31   9.766   5.806   4.918
  228    HA   CYS  31           HA       CYS  31   8.837   7.417   2.807
  229    HB2  CYS  31           HB2      CYS  31  11.258   7.870   2.392
  230    HB3  CYS  31           HB3      CYS  31  10.776   8.087   4.071
  231    H    CYS  32           H        CYS  32  10.133   4.195   2.891
  232    HA   CYS  32           HA       CYS  32  10.933   3.947   0.208
  233    HB2  CYS  32           HB2      CYS  32  10.250   2.078   2.412
  234    HB3  CYS  32           HB3      CYS  32  10.208   1.424   0.778
  235    H    THR  33           H        THR  33   7.818   4.013   1.684
  236    HA   THR  33           HA       THR  33   6.594   3.461  -0.936
  237    HB   THR  33           HB       THR  33   4.710   2.354   0.143
  238    HG1  THR  33           HG1      THR  33   6.201   2.708   2.550
  239   HG21  THR  33          HG21      THR  33   7.092   1.224  -0.345
  240   HG22  THR  33          HG22      THR  33   5.716   0.320   0.287
  241   HG23  THR  33          HG23      THR  33   6.970   0.898   1.383
  242    H    SER  34           H        SER  34   7.307   5.922   0.715
  243    HA   SER  34           HA       SER  34   4.663   7.190   0.500
  244    HB2  SER  34           HB2      SER  34   5.269   6.752   2.899
  245    HB3  SER  34           HB3      SER  34   6.659   7.815   2.685
  246    HG   SER  34           HG       SER  34   4.009   8.433   3.011
  247    H    ASP  35           H        ASP  35   4.901   8.443  -1.244
  248    HA   ASP  35           HA       ASP  35   7.340   9.603  -2.080
  249    HB2  ASP  35           HB2      ASP  35   5.260   9.101  -3.489
  250    HB3  ASP  35           HB3      ASP  35   4.608  10.611  -2.858
  251    H    SER  36           H        SER  36   4.658  10.785  -0.138
  252    HA   SER  36           HA       SER  36   5.419  13.506  -0.095
  253    HB2  SER  36           HB2      SER  36   3.936  13.657   1.895
  254    HB3  SER  36           HB3      SER  36   3.170  12.826   0.541
  255    HG   SER  36           HG       SER  36   3.069  11.860   2.774
  256    H    THR  37           H        THR  37   5.935  10.894   2.271
  257    HA   THR  37           HA       THR  37   7.393  12.325   4.148
  258    HB   THR  37           HB       THR  37   7.842   9.428   3.406
  259    HG1  THR  37           HG1      THR  37   5.855  10.729   4.938
  260   HG21  THR  37          HG21      THR  37   8.607  11.135   5.734
  261   HG22  THR  37          HG22      THR  37   9.540   9.896   4.894
  262   HG23  THR  37          HG23      THR  37   8.248   9.430   6.000
  263    H    PHE  38           H        PHE  38   8.346  11.145   1.031
  264    HA   PHE  38           HA       PHE  38  11.154  11.188   1.435
  265    HB2  PHE  38           HB2      PHE  38   9.747  10.102  -0.476
  266    HB3  PHE  38           HB3      PHE  38   9.891  11.681  -1.241
  267    HD1  PHE  38           HD1      PHE  38  11.912   8.934   0.227
  268    HD2  PHE  38           HD2      PHE  38  11.782  12.221  -2.474
  269    HE1  PHE  38           HE1      PHE  38  14.129   8.308  -0.635
  270    HE2  PHE  38           HE2      PHE  38  13.999  11.600  -3.341
  271    HZ   PHE  38           HZ       PHE  38  15.176   9.642  -2.421
  272    H    LYS  39           H        LYS  39   8.791  13.606   0.556
  273    HA   LYS  39           HA       LYS  39  10.483  15.577  -0.479
  274    HB2  LYS  39           HB2      LYS  39   7.946  15.938   1.128
  275    HB3  LYS  39           HB3      LYS  39   8.704  17.168   0.125
  276    HG2  LYS  39           HG2      LYS  39   7.703  14.539  -0.937
  277    HG3  LYS  39           HG3      LYS  39   6.743  16.020  -0.907
  278    HD2  LYS  39           HD2      LYS  39   9.456  15.958  -2.184
  279    HD3  LYS  39           HD3      LYS  39   8.023  15.423  -3.065
  280    HE2  LYS  39           HE2      LYS  39   8.094  18.084  -1.686
  281    HE3  LYS  39           HE3      LYS  39   8.776  17.878  -3.298
  282    HZ1  LYS  39           HZ1      LYS  39   6.754  17.695  -4.222
  283    HZ2  LYS  39           HZ2      LYS  39   6.226  18.498  -2.830
  284    HZ3  LYS  39           HZ3      LYS  39   6.105  16.814  -2.932
  285    H    LYS  40           H        LYS  40   9.731  14.681   2.828
  286    HA   LYS  40           HA       LYS  40  10.990  16.963   4.012
  287    HB2  LYS  40           HB2      LYS  40  10.513  14.340   5.407
  288    HB3  LYS  40           HB3      LYS  40  10.528  15.959   6.095
  289    HG2  LYS  40           HG2      LYS  40   8.420  14.755   4.318
  290    HG3  LYS  40           HG3      LYS  40   8.272  15.186   6.023
  291    HD2  LYS  40           HD2      LYS  40   8.747  17.113   3.749
  292    HD3  LYS  40           HD3      LYS  40   7.210  16.853   4.577
  293    HE2  LYS  40           HE2      LYS  40   8.565  17.434   6.716
  294    HE3  LYS  40           HE3      LYS  40   9.711  18.151   5.583
  295    HZ1  LYS  40           HZ1      LYS  40   7.098  18.980   4.933
  296    HZ2  LYS  40           HZ2      LYS  40   8.420  19.922   5.407
  297    HZ3  LYS  40           HZ3      LYS  40   7.377  19.280   6.575
  298    H    CYS  41           H        CYS  41  11.909  13.547   3.624
  299    HA   CYS  41           HA       CYS  41  14.441  13.760   4.827
  300    HB2  CYS  41           HB2      CYS  41  13.474  11.588   4.511
  301    HB3  CYS  41           HB3      CYS  41  13.358  11.830   2.771
  302    H    GLN  42           H        GLN  42  13.335  14.345   1.548
  303    HA   GLN  42           HA       GLN  42  15.801  14.440   0.241
  304    HB2  GLN  42           HB2      GLN  42  13.145  15.738  -0.263
  305    HB3  GLN  42           HB3      GLN  42  14.529  16.139  -1.271
  306    HG2  GLN  42           HG2      GLN  42  13.821  13.279  -0.840
  307    HG3  GLN  42           HG3      GLN  42  12.874  14.249  -1.967
  308   HE21  GLN  42          HE21      GLN  42  13.676  14.680  -3.937
  309   HE22  GLN  42          HE22      GLN  42  15.233  14.179  -4.494
  310    H    ASP  43           H        ASP  43  14.074  16.901   2.082
  311    HA   ASP  43           HA       ASP  43  15.862  19.026   1.450
  312    HB2  ASP  43           HB2      ASP  43  13.412  19.038   2.453
  313    HB3  ASP  43           HB3      ASP  43  14.282  19.031   3.985
  314    H    LEU  44           H        LEU  44  15.554  16.820   4.208
  315    HA   LEU  44           HA       LEU  44  17.497  17.887   5.867
  316    HB2  LEU  44           HB2      LEU  44  16.824  14.979   5.439
  317    HB3  LEU  44           HB3      LEU  44  17.707  15.632   6.817
  318    HG   LEU  44           HG       LEU  44  14.808  16.096   6.129
  319   HD11  LEU  44          HD11      LEU  44  16.030  14.028   7.501
  320   HD12  LEU  44          HD12      LEU  44  14.327  14.481   7.579
  321   HD13  LEU  44          HD13      LEU  44  15.463  15.111   8.772
  322   HD21  LEU  44          HD21      LEU  44  14.915  17.243   8.452
  323   HD22  LEU  44          HD22      LEU  44  15.415  18.143   7.020
  324   HD23  LEU  44          HD23      LEU  44  16.630  17.436   8.086
  325    H    LEU  45           H        LEU  45  17.900  15.352   3.396
  326    HA   LEU  45           HA       LEU  45  20.690  15.098   3.702
  327    HB2  LEU  45           HB2      LEU  45  18.949  14.516   1.311
  328    HB3  LEU  45           HB3      LEU  45  20.620  13.990   1.499
  329    HG   LEU  45           HG       LEU  45  18.267  13.111   3.171
  330   HD11  LEU  45          HD11      LEU  45  19.971  11.385   1.414
  331   HD12  LEU  45          HD12      LEU  45  18.577  12.251   0.767
  332   HD13  LEU  45          HD13      LEU  45  18.360  11.072   2.061
  333   HD21  LEU  45          HD21      LEU  45  21.206  12.761   3.467
  334   HD22  LEU  45          HD22      LEU  45  20.153  11.406   3.874
  335   HD23  LEU  45          HD23      LEU  45  19.959  12.953   4.700
  336    H    HIS  46           H        HIS  46  18.722  17.381   1.997
  337    HA   HIS  46           HA       HIS  46  21.107  18.503   0.689
  338    HB2  HIS  46           HB2      HIS  46  18.211  18.467  -0.016
  339    HB3  HIS  46           HB3      HIS  46  19.157  19.871  -0.500
  340    HD1  HIS  46           HD1      HIS  46  21.712  18.715  -1.496
  341    HD2  HIS  46           HD2      HIS  46  18.042  16.900  -2.204
  342    HE1  HIS  46           HE1      HIS  46  22.058  17.266  -3.522
  Start of MODEL   23
    1    H1   ALA   1           H1       ALA   1   0.058  -0.222   0.511
    2    HA   ALA   1           HA       ALA   1   2.605   0.775   0.861
    3    HB1  ALA   1           HB1      ALA   1   1.678   0.030   2.819
    4    HB2  ALA   1           HB2      ALA   1   1.094  -1.471   2.101
    5    HB3  ALA   1           HB3      ALA   1   2.806  -1.283   2.478
    6    H    ASP   2           H        ASP   2   2.989   0.104  -1.625
    7    HA   ASP   2           HA       ASP   2   4.254  -2.512  -1.814
    8    HB2  ASP   2           HB2      ASP   2   2.818  -1.611  -3.661
    9    HB3  ASP   2           HB3      ASP   2   4.035  -0.368  -3.934
   10    H    ASN   3           H        ASN   3   6.386  -2.866  -1.725
   11    HA   ASN   3           HA       ASN   3   8.132  -0.738  -0.942
   12    HB2  ASN   3           HB2      ASN   3   8.331  -3.685  -1.240
   13    HB3  ASN   3           HB3      ASN   3   9.836  -2.777  -1.354
   14   HD21  ASN   3          HD21      ASN   3   7.949  -4.417   0.706
   15   HD22  ASN   3          HD22      ASN   3   8.370  -3.644   2.193
   16    H    LYS   4           H        LYS   4   8.765   0.705  -2.414
   17    HA   LYS   4           HA       LYS   4   9.269  -0.105  -5.162
   18    HB2  LYS   4           HB2      LYS   4   9.216   2.572  -3.774
   19    HB3  LYS   4           HB3      LYS   4   9.723   2.386  -5.447
   20    HG2  LYS   4           HG2      LYS   4   7.626   2.182  -6.183
   21    HG3  LYS   4           HG3      LYS   4   7.160   1.120  -4.852
   22    HD2  LYS   4           HD2      LYS   4   6.544   2.872  -3.493
   23    HD3  LYS   4           HD3      LYS   4   7.618   4.016  -4.302
   24    HE2  LYS   4           HE2      LYS   4   5.364   2.849  -5.855
   25    HE3  LYS   4           HE3      LYS   4   4.996   4.080  -4.648
   26    HZ1  LYS   4           HZ1      LYS   4   5.356   5.318  -6.538
   27    HZ2  LYS   4           HZ2      LYS   4   6.597   4.319  -7.106
   28    HZ3  LYS   4           HZ3      LYS   4   6.884   5.371  -5.813
   29    H    CYS   5           H        CYS   5  11.031   1.182  -2.382
   30    HA   CYS   5           HA       CYS   5  13.502   1.622  -3.586
   31    HB2  CYS   5           HB2      CYS   5  14.448   1.305  -1.297
   32    HB3  CYS   5           HB3      CYS   5  13.075   2.406  -1.346
   33    H    GLU   6           H        GLU   6  11.917  -1.332  -2.753
   34    HA   GLU   6           HA       GLU   6  14.016  -3.099  -2.435
   35    HB2  GLU   6           HB2      GLU   6  12.510  -4.833  -2.972
   36    HB3  GLU   6           HB3      GLU   6  11.518  -3.562  -2.272
   37    HG2  GLU   6           HG2      GLU   6  10.965  -2.823  -4.589
   38    HG3  GLU   6           HG3      GLU   6  11.807  -4.253  -5.183
   39    H    ASN   7           H        ASN   7  12.816  -1.589  -5.346
   40    HA   ASN   7           HA       ASN   7  14.661  -3.180  -6.981
   41    HB2  ASN   7           HB2      ASN   7  12.218  -2.886  -7.639
   42    HB3  ASN   7           HB3      ASN   7  12.612  -1.204  -7.984
   43   HD21  ASN   7          HD21      ASN   7  12.744  -0.940 -10.086
   44   HD22  ASN   7          HD22      ASN   7  13.539  -1.996 -11.199
   45    H    SER   8           H        SER   8  14.055   0.039  -5.803
   46    HA   SER   8           HA       SER   8  16.153   1.172  -7.487
   47    HB2  SER   8           HB2      SER   8  14.107   2.483  -7.223
   48    HB3  SER   8           HB3      SER   8  14.308   2.479  -5.471
   49    HG   SER   8           HG       SER   8  15.415   4.111  -7.312
   50    H    LEU   9           H        LEU   9  18.178   0.971  -6.818
   51    HA   LEU   9           HA       LEU   9  18.900   0.354  -4.143
   52    HB2  LEU   9           HB2      LEU   9  21.152   0.415  -4.892
   53    HB3  LEU   9           HB3      LEU   9  20.182  -0.295  -6.181
   54    HG   LEU   9           HG       LEU   9  20.202   2.225  -7.044
   55   HD11  LEU   9          HD11      LEU   9  22.009   2.311  -4.889
   56   HD12  LEU   9          HD12      LEU   9  21.688   3.562  -6.089
   57   HD13  LEU   9          HD13      LEU   9  22.973   2.386  -6.364
   58   HD21  LEU   9          HD21      LEU   9  20.952   0.748  -8.594
   59   HD22  LEU   9          HD22      LEU   9  22.013  -0.082  -7.456
   60   HD23  LEU   9          HD23      LEU   9  22.502   1.463  -8.152
   61    H    ARG  10           H        ARG  10  18.865   3.321  -6.040
   62    HA   ARG  10           HA       ARG  10  20.243   4.917  -4.136
   63    HB2  ARG  10           HB2      ARG  10  18.649   5.414  -6.598
   64    HB3  ARG  10           HB3      ARG  10  18.861   6.762  -5.489
   65    HG2  ARG  10           HG2      ARG  10  21.348   6.268  -5.598
   66    HG3  ARG  10           HG3      ARG  10  20.967   5.221  -6.966
   67    HD2  ARG  10           HD2      ARG  10  21.650   7.480  -7.668
   68    HD3  ARG  10           HD3      ARG  10  20.006   7.084  -8.170
   69    HE   ARG  10           HE       ARG  10  20.080   8.469  -5.672
   70   HH11  ARG  10          HH11      ARG  10  20.204   8.879  -9.127
   71   HH12  ARG  10          HH12      ARG  10  19.603  10.504  -9.086
   72   HH21  ARG  10          HH21      ARG  10  19.288  10.607  -5.606
   73   HH22  ARG  10          HH22      ARG  10  19.084  11.486  -7.083
   74    H    ARG  11           H        ARG  11  16.904   3.996  -4.579
   75    HA   ARG  11           HA       ARG  11  15.772   5.963  -2.868
   76    HB2  ARG  11           HB2      ARG  11  14.456   4.742  -4.556
   77    HB3  ARG  11           HB3      ARG  11  14.693   3.251  -3.654
   78    HG2  ARG  11           HG2      ARG  11  12.592   3.879  -2.978
   79    HG3  ARG  11           HG3      ARG  11  13.596   4.571  -1.702
   80    HD2  ARG  11           HD2      ARG  11  12.149   6.308  -2.251
   81    HD3  ARG  11           HD3      ARG  11  13.611   6.691  -3.160
   82    HE   ARG  11           HE       ARG  11  12.161   5.273  -4.936
   83   HH11  ARG  11          HH11      ARG  11  11.414   8.007  -2.914
   84   HH12  ARG  11          HH12      ARG  11  10.250   8.668  -4.013
   85   HH21  ARG  11          HH21      ARG  11  10.631   6.134  -6.392
   86   HH22  ARG  11          HH22      ARG  11   9.805   7.601  -5.991
   87    H    GLU  12           H        GLU  12  16.894   2.647  -2.382
   88    HA   GLU  12           HA       GLU  12  16.029   2.446   0.315
   89    HB2  GLU  12           HB2      GLU  12  16.429   0.424  -0.891
   90    HB3  GLU  12           HB3      GLU  12  18.070   0.911  -1.289
   91    HG2  GLU  12           HG2      GLU  12  17.339   0.652   1.576
   92    HG3  GLU  12           HG3      GLU  12  17.561  -0.818   0.629
   93    H    ILE  13           H        ILE  13  19.235   3.030  -1.123
   94    HA   ILE  13           HA       ILE  13  20.668   3.354   1.237
   95    HB   ILE  13           HB       ILE  13  21.124   4.770  -1.392
   96   HG12  ILE  13          HG12      ILE  13  22.534   2.301  -0.403
   97   HG13  ILE  13          HG13      ILE  13  21.033   2.193  -1.316
   98   HG21  ILE  13          HG21      ILE  13  22.384   5.894   0.272
   99   HG22  ILE  13          HG22      ILE  13  22.886   4.376   1.014
  100   HG23  ILE  13          HG23      ILE  13  23.506   4.828  -0.573
  101   HD11  ILE  13          HD11      ILE  13  23.670   3.303  -2.223
  102   HD12  ILE  13          HD12      ILE  13  22.796   1.907  -2.854
  103   HD13  ILE  13          HD13      ILE  13  22.167   3.533  -3.114
  104    H    ALA  14           H        ALA  14  18.692   5.655  -0.547
  105    HA   ALA  14           HA       ALA  14  19.469   7.960   0.910
  106    HB1  ALA  14           HB1      ALA  14  17.089   8.713   0.030
  107    HB2  ALA  14           HB2      ALA  14  18.477   8.569  -1.050
  108    HB3  ALA  14           HB3      ALA  14  17.280   7.276  -0.976
  109    H    CYS  15           H        CYS  15  16.839   5.625   1.285
  110    HA   CYS  15           HA       CYS  15  15.566   6.993   3.431
  111    HB2  CYS  15           HB2      CYS  15  15.354   4.273   2.211
  112    HB3  CYS  15           HB3      CYS  15  14.630   4.546   3.792
  113    H    GLY  16           H        GLY  16  18.047   4.506   3.225
  114    HA2  GLY  16           HA2      GLY  16  18.099   3.659   5.880
  115    HA3  GLY  16           HA3      GLY  16  19.488   3.668   4.803
  116    H    GLN  17           H        GLN  17  19.838   6.366   4.373
  117    HA   GLN  17           HA       GLN  17  21.247   7.131   6.693
  118    HB2  GLN  17           HB2      GLN  17  20.479   8.644   4.199
  119    HB3  GLN  17           HB3      GLN  17  21.457   9.354   5.477
  120    HG2  GLN  17           HG2      GLN  17  22.990   7.321   5.151
  121    HG3  GLN  17           HG3      GLN  17  22.131   7.104   3.626
  122   HE21  GLN  17          HE21      GLN  17  23.041   8.024   1.945
  123   HE22  GLN  17          HE22      GLN  17  24.067   9.413   1.969
  124    H    CYS  18           H        CYS  18  18.351   8.580   5.194
  125    HA   CYS  18           HA       CYS  18  17.826  10.455   7.185
  126    HB2  CYS  18           HB2      CYS  18  16.249   9.160   5.030
  127    HB3  CYS  18           HB3      CYS  18  15.334   9.947   6.312
  128    H    ARG  19           H        ARG  19  17.094   7.042   7.027
  129    HA   ARG  19           HA       ARG  19  15.150   6.867   9.023
  130    HB2  ARG  19           HB2      ARG  19  15.681   4.990   7.568
  131    HB3  ARG  19           HB3      ARG  19  17.295   4.880   8.256
  132    HG2  ARG  19           HG2      ARG  19  16.175   4.430  10.478
  133    HG3  ARG  19           HG3      ARG  19  14.674   4.238   9.569
  134    HD2  ARG  19           HD2      ARG  19  15.281   2.090   9.389
  135    HD3  ARG  19           HD3      ARG  19  16.399   2.666   8.154
  136    HE   ARG  19           HE       ARG  19  17.589   2.863  10.707
  137   HH11  ARG  19          HH11      ARG  19  16.659   0.520   8.306
  138   HH12  ARG  19          HH12      ARG  19  17.875  -0.626   8.764
  139   HH21  ARG  19          HH21      ARG  19  19.194   1.363  11.319
  140   HH22  ARG  19          HH22      ARG  19  19.316  -0.146  10.479
  141    H    ASP  20           H        ASP  20  18.659   7.023   9.233
  142    HA   ASP  20           HA       ASP  20  18.680   6.575  12.086
  143    HB2  ASP  20           HB2      ASP  20  20.827   7.330  10.102
  144    HB3  ASP  20           HB3      ASP  20  21.133   7.181  11.831
  145    H    LYS  21           H        LYS  21  19.330   9.318   9.918
  146    HA   LYS  21           HA       LYS  21  19.873  11.224  11.887
  147    HB2  LYS  21           HB2      LYS  21  18.891  11.371   9.061
  148    HB3  LYS  21           HB3      LYS  21  18.931  12.832  10.040
  149    HG2  LYS  21           HG2      LYS  21  21.358  11.104   9.810
  150    HG3  LYS  21           HG3      LYS  21  20.949  12.255   8.536
  151    HD2  LYS  21           HD2      LYS  21  20.994  14.081  10.127
  152    HD3  LYS  21           HD3      LYS  21  21.286  12.954  11.453
  153    HE2  LYS  21           HE2      LYS  21  23.163  12.972   9.139
  154    HE3  LYS  21           HE3      LYS  21  23.262  14.277  10.321
  155    HZ1  LYS  21           HZ1      LYS  21  24.333  12.940  11.699
  156    HZ2  LYS  21           HZ2      LYS  21  24.335  11.726  10.521
  157    HZ3  LYS  21           HZ3      LYS  21  23.083  11.801  11.656
  158    H    VAL  22           H        VAL  22  16.818  10.817  10.084
  159    HA   VAL  22           HA       VAL  22  15.263  12.573  11.542
  160    HB   VAL  22           HB       VAL  22  14.341   9.964  10.328
  161   HG11  VAL  22          HG11      VAL  22  12.398  10.523  11.284
  162   HG12  VAL  22          HG12      VAL  22  12.952  12.155  11.663
  163   HG13  VAL  22          HG13      VAL  22  12.312  11.790  10.060
  164   HG21  VAL  22          HG21      VAL  22  15.506  12.170   9.074
  165   HG22  VAL  22          HG22      VAL  22  14.613  10.857   8.308
  166   HG23  VAL  22          HG23      VAL  22  13.774  12.332   8.788
  167    H    LYS  23           H        LYS  23  16.309   9.355  12.365
  168    HA   LYS  23           HA       LYS  23  16.090   8.086  14.241
  169    HB2  LYS  23           HB2      LYS  23  15.671  10.859  15.315
  170    HB3  LYS  23           HB3      LYS  23  15.534   9.462  16.375
  171    HG2  LYS  23           HG2      LYS  23  17.868   8.839  15.414
  172    HG3  LYS  23           HG3      LYS  23  17.934  10.547  14.975
  173    HD2  LYS  23           HD2      LYS  23  17.337   9.546  17.755
  174    HD3  LYS  23           HD3      LYS  23  18.949  10.000  17.197
  175    HE2  LYS  23           HE2      LYS  23  18.070  12.255  16.658
  176    HE3  LYS  23           HE3      LYS  23  16.519  11.781  17.348
  177    HZ1  LYS  23           HZ1      LYS  23  18.994  12.492  18.675
  178    HZ2  LYS  23           HZ2      LYS  23  18.185  11.165  19.340
  179    HZ3  LYS  23           HZ3      LYS  23  17.395  12.654  19.204
  180    H    THR  24           H        THR  24  14.009   7.678  12.720
  181    HA   THR  24           HA       THR  24  11.758   7.568  14.600
  182    HB   THR  24           HB       THR  24  11.523   8.368  11.693
  183    HG1  THR  24           HG1      THR  24  12.134   9.924  13.529
  184   HG21  THR  24          HG21      THR  24   9.643   7.005  12.202
  185   HG22  THR  24          HG22      THR  24   9.094   8.677  12.318
  186   HG23  THR  24          HG23      THR  24   9.440   7.757  13.783
  187    H    ASP  25           H        ASP  25  11.307   5.499  14.925
  188    HA   ASP  25           HA       ASP  25  12.223   3.393  13.295
  189    HB2  ASP  25           HB2      ASP  25  10.268   3.580  15.565
  190    HB3  ASP  25           HB3      ASP  25  10.447   2.070  14.675
  191    H    GLY  26           H        GLY  26  11.466   2.633  11.437
  192    HA2  GLY  26           HA2      GLY  26   9.729   1.756  10.066
  193    HA3  GLY  26           HA3      GLY  26   8.588   2.810  10.887
  194    H    TYR  27           H        TYR  27  11.012   4.833  10.433
  195    HA   TYR  27           HA       TYR  27   9.794   6.303   8.399
  196    HB2  TYR  27           HB2      TYR  27  11.455   7.142  10.114
  197    HB3  TYR  27           HB3      TYR  27  12.725   6.443   9.116
  198    HD1  TYR  27           HD1      TYR  27  10.164   9.074   9.314
  199    HD2  TYR  27           HD2      TYR  27  13.395   7.481   7.051
  200    HE1  TYR  27           HE1      TYR  27  10.228  11.132   7.969
  201    HE2  TYR  27           HE2      TYR  27  13.470   9.535   5.701
  202    HH   TYR  27           HH       TYR  27  11.090  12.114   6.146
  203    H    PHE  28           H        PHE  28  12.654   4.194   8.260
  204    HA   PHE  28           HA       PHE  28  13.330   4.532   5.601
  205    HB2  PHE  28           HB2      PHE  28  14.778   3.283   7.049
  206    HB3  PHE  28           HB3      PHE  28  13.528   2.083   7.358
  207    HD1  PHE  28           HD1      PHE  28  12.967   0.410   5.682
  208    HD2  PHE  28           HD2      PHE  28  16.072   3.247   5.028
  209    HE1  PHE  28           HE1      PHE  28  13.816  -0.954   3.819
  210    HE2  PHE  28           HE2      PHE  28  16.925   1.888   3.162
  211    HZ   PHE  28           HZ       PHE  28  15.798  -0.216   2.557
  212    H    TYR  29           H        TYR  29  10.998   2.261   7.011
  213    HA   TYR  29           HA       TYR  29  10.273   1.128   4.485
  214    HB2  TYR  29           HB2      TYR  29  10.077   0.040   6.803
  215    HB3  TYR  29           HB3      TYR  29   8.610   0.995   6.993
  216    HD1  TYR  29           HD1      TYR  29   6.733   0.664   5.323
  217    HD2  TYR  29           HD2      TYR  29  10.056  -1.979   5.596
  218    HE1  TYR  29           HE1      TYR  29   5.450  -1.061   4.130
  219    HE2  TYR  29           HE2      TYR  29   8.783  -3.712   4.402
  220    HH   TYR  29           HH       TYR  29   5.471  -3.104   3.267
  221    H    GLU  30           H        GLU  30   9.276   3.871   6.329
  222    HA   GLU  30           HA       GLU  30   6.701   4.185   5.131
  223    HB2  GLU  30           HB2      GLU  30   7.138   5.177   7.292
  224    HB3  GLU  30           HB3      GLU  30   8.465   6.123   6.633
  225    HG2  GLU  30           HG2      GLU  30   7.054   7.582   5.527
  226    HG3  GLU  30           HG3      GLU  30   5.705   6.449   5.543
  227    H    CYS  31           H        CYS  31   9.793   5.909   4.711
  228    HA   CYS  31           HA       CYS  31   8.941   7.499   2.551
  229    HB2  CYS  31           HB2      CYS  31  11.380   7.833   2.133
  230    HB3  CYS  31           HB3      CYS  31  10.906   8.119   3.804
  231    H    CYS  32           H        CYS  32  10.094   4.227   2.737
  232    HA   CYS  32           HA       CYS  32  10.878   3.872   0.056
  233    HB2  CYS  32           HB2      CYS  32  10.181   2.108   2.334
  234    HB3  CYS  32           HB3      CYS  32  10.052   1.393   0.730
  235    H    THR  33           H        THR  33   7.775   4.053   1.563
  236    HA   THR  33           HA       THR  33   6.512   3.438  -1.027
  237    HB   THR  33           HB       THR  33   4.657   2.380   0.038
  238    HG1  THR  33           HG1      THR  33   4.171   3.071   1.974
  239   HG21  THR  33          HG21      THR  33   5.687   0.416   0.415
  240   HG22  THR  33          HG22      THR  33   6.668   1.075   1.724
  241   HG23  THR  33          HG23      THR  33   7.168   1.298   0.048
  242    H    SER  34           H        SER  34   7.342   5.958   0.473
  243    HA   SER  34           HA       SER  34   4.759   7.329   0.180
  244    HB2  SER  34           HB2      SER  34   6.758   7.778   2.409
  245    HB3  SER  34           HB3      SER  34   5.338   8.780   2.110
  246    HG   SER  34           HG       SER  34   4.192   7.355   3.125
  247    H    ASP  35           H        ASP  35   5.119   8.403  -1.674
  248    HA   ASP  35           HA       ASP  35   7.617   9.456  -2.477
  249    HB2  ASP  35           HB2      ASP  35   6.384  10.543  -4.272
  250    HB3  ASP  35           HB3      ASP  35   5.796   8.897  -4.055
  251    H    SER  36           H        SER  36   4.869  10.829  -0.764
  252    HA   SER  36           HA       SER  36   5.754  13.528  -0.873
  253    HB2  SER  36           HB2      SER  36   3.466  13.286  -0.421
  254    HB3  SER  36           HB3      SER  36   3.743  12.046   0.802
  255    HG   SER  36           HG       SER  36   3.205  14.109   1.694
  256    H    THR  37           H        THR  37   6.127  10.925   1.487
  257    HA   THR  37           HA       THR  37   7.362  12.441   3.511
  258    HB   THR  37           HB       THR  37   7.711   9.499   2.902
  259    HG1  THR  37           HG1      THR  37   5.830  10.951   4.460
  260   HG21  THR  37          HG21      THR  37   8.390  11.179   5.305
  261   HG22  THR  37          HG22      THR  37   9.443  10.101   4.389
  262   HG23  THR  37          HG23      THR  37   8.168   9.433   5.408
  263    H    PHE  38           H        PHE  38   8.560  11.112   0.543
  264    HA   PHE  38           HA       PHE  38  11.315  11.066   1.190
  265    HB2  PHE  38           HB2      PHE  38   9.982  10.061  -0.854
  266    HB3  PHE  38           HB3      PHE  38  10.389  11.602  -1.602
  267    HD1  PHE  38           HD1      PHE  38  11.870   8.635   0.052
  268    HD2  PHE  38           HD2      PHE  38  12.498  11.955  -2.535
  269    HE1  PHE  38           HE1      PHE  38  14.094   7.757  -0.530
  270    HE2  PHE  38           HE2      PHE  38  14.722  11.082  -3.122
  271    HZ   PHE  38           HZ       PHE  38  15.522   8.980  -2.120
  272    H    LYS  39           H        LYS  39   9.161  13.558  -0.016
  273    HA   LYS  39           HA       LYS  39  10.955  15.449  -0.925
  274    HB2  LYS  39           HB2      LYS  39   8.304  15.713   0.472
  275    HB3  LYS  39           HB3      LYS  39   9.205  17.129  -0.052
  276    HG2  LYS  39           HG2      LYS  39   9.132  16.357  -2.351
  277    HG3  LYS  39           HG3      LYS  39   8.288  14.891  -1.846
  278    HD2  LYS  39           HD2      LYS  39   6.610  16.335  -2.653
  279    HD3  LYS  39           HD3      LYS  39   6.502  16.428  -0.893
  280    HE2  LYS  39           HE2      LYS  39   8.156  18.442  -1.223
  281    HE3  LYS  39           HE3      LYS  39   7.483  18.451  -2.852
  282    HZ1  LYS  39           HZ1      LYS  39   5.477  18.258  -0.812
  283    HZ2  LYS  39           HZ2      LYS  39   5.582  19.319  -2.125
  284    HZ3  LYS  39           HZ3      LYS  39   6.398  19.672  -0.686
  285    H    LYS  40           H        LYS  40   9.697  15.115   2.393
  286    HA   LYS  40           HA       LYS  40  11.184  17.164   3.557
  287    HB2  LYS  40           HB2      LYS  40   9.894  14.673   4.587
  288    HB3  LYS  40           HB3      LYS  40  10.961  15.575   5.656
  289    HG2  LYS  40           HG2      LYS  40   8.719  16.286   6.050
  290    HG3  LYS  40           HG3      LYS  40   9.580  17.596   5.237
  291    HD2  LYS  40           HD2      LYS  40   8.576  16.951   3.110
  292    HD3  LYS  40           HD3      LYS  40   7.744  15.608   3.898
  293    HE2  LYS  40           HE2      LYS  40   7.322  18.556   4.358
  294    HE3  LYS  40           HE3      LYS  40   6.188  17.409   3.647
  295    HZ1  LYS  40           HZ1      LYS  40   6.606  16.255   5.991
  296    HZ2  LYS  40           HZ2      LYS  40   5.388  17.401   5.739
  297    HZ3  LYS  40           HZ3      LYS  40   6.855  17.867   6.441
  298    H    CYS  41           H        CYS  41  11.940  13.686   3.397
  299    HA   CYS  41           HA       CYS  41  14.401  13.764   4.685
  300    HB2  CYS  41           HB2      CYS  41  13.359  11.651   4.226
  301    HB3  CYS  41           HB3      CYS  41  13.395  11.948   2.491
  302    H    GLN  42           H        GLN  42  13.618  14.278   1.275
  303    HA   GLN  42           HA       GLN  42  16.173  14.380   0.211
  304    HB2  GLN  42           HB2      GLN  42  13.544  15.544  -0.526
  305    HB3  GLN  42           HB3      GLN  42  14.962  16.240  -1.299
  306    HG2  GLN  42           HG2      GLN  42  15.591  13.822  -1.871
  307    HG3  GLN  42           HG3      GLN  42  13.919  13.441  -1.463
  308   HE21  GLN  42          HE21      GLN  42  13.911  12.745  -3.737
  309   HE22  GLN  42          HE22      GLN  42  13.558  13.921  -4.952
  310    H    ASP  43           H        ASP  43  14.384  16.830   1.984
  311    HA   ASP  43           HA       ASP  43  16.209  18.956   1.479
  312    HB2  ASP  43           HB2      ASP  43  13.769  19.122   2.262
  313    HB3  ASP  43           HB3      ASP  43  14.389  18.774   3.873
  314    H    LEU  44           H        LEU  44  15.893  16.526   4.005
  315    HA   LEU  44           HA       LEU  44  17.768  17.602   5.807
  316    HB2  LEU  44           HB2      LEU  44  17.240  14.670   5.420
  317    HB3  LEU  44           HB3      LEU  44  17.734  15.502   6.894
  318    HG   LEU  44           HG       LEU  44  15.031  15.695   5.563
  319   HD11  LEU  44          HD11      LEU  44  14.324  14.054   6.894
  320   HD12  LEU  44          HD12      LEU  44  15.184  14.700   8.292
  321   HD13  LEU  44          HD13      LEU  44  16.028  13.670   7.136
  322   HD21  LEU  44          HD21      LEU  44  16.349  17.245   7.701
  323   HD22  LEU  44          HD22      LEU  44  14.691  16.733   8.017
  324   HD23  LEU  44          HD23      LEU  44  15.058  17.706   6.592
  325    H    LEU  45           H        LEU  45  18.138  15.068   3.330
  326    HA   LEU  45           HA       LEU  45  20.905  14.701   3.702
  327    HB2  LEU  45           HB2      LEU  45  19.290  14.252   1.197
  328    HB3  LEU  45           HB3      LEU  45  20.868  13.556   1.561
  329    HG   LEU  45           HG       LEU  45  18.337  12.970   3.095
  330   HD11  LEU  45          HD11      LEU  45  17.793  11.624   1.417
  331   HD12  LEU  45          HD12      LEU  45  19.232  10.677   1.790
  332   HD13  LEU  45          HD13      LEU  45  19.309  11.956   0.579
  333   HD21  LEU  45          HD21      LEU  45  19.559  11.710   4.492
  334   HD22  LEU  45          HD22      LEU  45  20.904  12.714   3.950
  335   HD23  LEU  45          HD23      LEU  45  20.624  11.138   3.207
  336    H    HIS  46           H        HIS  46  19.079  17.082   1.973
  337    HA   HIS  46           HA       HIS  46  21.289  17.980   0.355
  338    HB2  HIS  46           HB2      HIS  46  19.059  18.251  -0.528
  339    HB3  HIS  46           HB3      HIS  46  18.560  19.164   0.893
  340    HD1  HIS  46           HD1      HIS  46  19.635  21.590   1.143
  341    HD2  HIS  46           HD2      HIS  46  20.183  19.740  -2.537
  342    HE1  HIS  46           HE1      HIS  46  20.334  23.421  -0.433
  Start of MODEL   24
    1    H1   ALA   1           H1       ALA   1   0.448   1.751   0.367
    2    HA   ALA   1           HA       ALA   1   2.708   1.234   0.985
    3    HB1  ALA   1           HB1      ALA   1   0.901  -1.165   1.171
    4    HB2  ALA   1           HB2      ALA   1   2.486  -1.084   1.941
    5    HB3  ALA   1           HB3      ALA   1   1.221   0.054   2.406
    6    H    ASP   2           H        ASP   2   2.896   1.300  -1.752
    7    HA   ASP   2           HA       ASP   2   3.879  -1.245  -2.715
    8    HB2  ASP   2           HB2      ASP   2   3.821   1.502  -3.978
    9    HB3  ASP   2           HB3      ASP   2   4.401   0.050  -4.789
   10    H    ASN   3           H        ASN   3   5.907  -1.939  -2.574
   11    HA   ASN   3           HA       ASN   3   7.910  -0.323  -1.307
   12    HB2  ASN   3           HB2      ASN   3   7.677  -3.146  -2.208
   13    HB3  ASN   3           HB3      ASN   3   9.304  -2.485  -2.068
   14   HD21  ASN   3          HD21      ASN   3   9.864  -1.485   0.002
   15   HD22  ASN   3          HD22      ASN   3   9.197  -2.156   1.448
   16    H    LYS   4           H        LYS   4   9.066   1.148  -2.346
   17    HA   LYS   4           HA       LYS   4   9.520   0.869  -5.222
   18    HB2  LYS   4           HB2      LYS   4  10.212   3.233  -3.480
   19    HB3  LYS   4           HB3      LYS   4  10.073   3.196  -5.232
   20    HG2  LYS   4           HG2      LYS   4   7.788   2.762  -3.321
   21    HG3  LYS   4           HG3      LYS   4   8.163   4.290  -4.121
   22    HD2  LYS   4           HD2      LYS   4   7.834   1.845  -5.791
   23    HD3  LYS   4           HD3      LYS   4   6.392   2.616  -5.128
   24    HE2  LYS   4           HE2      LYS   4   7.400   4.793  -6.085
   25    HE3  LYS   4           HE3      LYS   4   8.413   3.718  -7.048
   26    HZ1  LYS   4           HZ1      LYS   4   5.656   4.394  -7.380
   27    HZ2  LYS   4           HZ2      LYS   4   5.893   2.720  -7.352
   28    HZ3  LYS   4           HZ3      LYS   4   6.727   3.673  -8.474
   29    H    CYS   5           H        CYS   5  11.260   1.131  -2.173
   30    HA   CYS   5           HA       CYS   5  13.855   1.427  -3.131
   31    HB2  CYS   5           HB2      CYS   5  12.754   0.105  -0.658
   32    HB3  CYS   5           HB3      CYS   5  14.485   0.185  -0.970
   33    H    GLU   6           H        GLU   6  11.763  -1.325  -3.166
   34    HA   GLU   6           HA       GLU   6  13.616  -3.408  -3.331
   35    HB2  GLU   6           HB2      GLU   6  11.016  -3.451  -3.184
   36    HB3  GLU   6           HB3      GLU   6  11.084  -3.423  -4.941
   37    HG2  GLU   6           HG2      GLU   6  12.724  -5.436  -3.499
   38    HG3  GLU   6           HG3      GLU   6  10.981  -5.680  -3.594
   39    H    ASN   7           H        ASN   7  12.657  -1.025  -5.666
   40    HA   ASN   7           HA       ASN   7  14.342  -2.353  -7.687
   41    HB2  ASN   7           HB2      ASN   7  11.894  -0.620  -8.001
   42    HB3  ASN   7           HB3      ASN   7  13.004  -0.922  -9.334
   43   HD21  ASN   7          HD21      ASN   7  10.408  -2.109  -7.496
   44   HD22  ASN   7          HD22      ASN   7  10.261  -3.650  -8.262
   45    H    SER   8           H        SER   8  13.725   0.526  -5.871
   46    HA   SER   8           HA       SER   8  15.685   2.050  -7.421
   47    HB2  SER   8           HB2      SER   8  14.958   3.961  -5.973
   48    HB3  SER   8           HB3      SER   8  13.650   3.253  -6.921
   49    HG   SER   8           HG       SER   8  12.924   3.513  -4.832
   50    H    LEU   9           H        LEU   9  17.698   1.446  -6.854
   51    HA   LEU   9           HA       LEU   9  18.453   0.661  -4.233
   52    HB2  LEU   9           HB2      LEU   9  20.636   0.466  -5.066
   53    HB3  LEU   9           HB3      LEU   9  19.579   0.037  -6.409
   54    HG   LEU   9           HG       LEU   9  19.940   2.624  -6.976
   55   HD11  LEU   9          HD11      LEU   9  22.177   1.849  -5.181
   56   HD12  LEU   9          HD12      LEU   9  21.381   3.408  -5.392
   57   HD13  LEU   9          HD13      LEU   9  22.541   2.840  -6.593
   58   HD21  LEU   9          HD21      LEU   9  21.421   1.935  -8.660
   59   HD22  LEU   9          HD22      LEU   9  20.429   0.516  -8.321
   60   HD23  LEU   9          HD23      LEU   9  22.067   0.622  -7.675
   61    H    ARG  10           H        ARG  10  18.569   3.698  -5.999
   62    HA   ARG  10           HA       ARG  10  20.200   5.106  -4.164
   63    HB2  ARG  10           HB2      ARG  10  18.429   5.811  -6.439
   64    HB3  ARG  10           HB3      ARG  10  18.774   7.090  -5.283
   65    HG2  ARG  10           HG2      ARG  10  21.044   7.087  -5.761
   66    HG3  ARG  10           HG3      ARG  10  20.991   5.470  -6.466
   67    HD2  ARG  10           HD2      ARG  10  19.487   7.748  -7.704
   68    HD3  ARG  10           HD3      ARG  10  21.202   7.507  -8.037
   69    HE   ARG  10           HE       ARG  10  19.619   5.145  -8.435
   70   HH11  ARG  10          HH11      ARG  10  20.743   8.105  -9.883
   71   HH12  ARG  10          HH12      ARG  10  20.579   7.525 -11.508
   72   HH21  ARG  10          HH21      ARG  10  19.400   4.370 -10.569
   73   HH22  ARG  10          HH22      ARG  10  19.815   5.400 -11.896
   74    H    ARG  11           H        ARG  11  16.743   4.524  -4.366
   75    HA   ARG  11           HA       ARG  11  15.898   6.429  -2.479
   76    HB2  ARG  11           HB2      ARG  11  14.403   5.192  -4.046
   77    HB3  ARG  11           HB3      ARG  11  14.634   3.748  -3.070
   78    HG2  ARG  11           HG2      ARG  11  12.612   4.578  -2.315
   79    HG3  ARG  11           HG3      ARG  11  13.761   5.189  -1.122
   80    HD2  ARG  11           HD2      ARG  11  12.509   7.071  -1.578
   81    HD3  ARG  11           HD3      ARG  11  13.866   7.265  -2.685
   82    HE   ARG  11           HE       ARG  11  12.422   7.018  -4.445
   83   HH11  ARG  11          HH11      ARG  11  10.862   5.944  -1.524
   84   HH12  ARG  11          HH12      ARG  11   9.308   5.759  -2.267
   85   HH21  ARG  11          HH21      ARG  11  10.381   6.778  -5.435
   86   HH22  ARG  11          HH22      ARG  11   9.036   6.233  -4.491
   87    H    GLU  12           H        GLU  12  16.867   3.037  -2.119
   88    HA   GLU  12           HA       GLU  12  16.312   2.812   0.629
   89    HB2  GLU  12           HB2      GLU  12  16.642   0.818  -0.641
   90    HB3  GLU  12           HB3      GLU  12  18.238   1.339  -1.164
   91    HG2  GLU  12           HG2      GLU  12  19.211   0.863   0.872
   92    HG3  GLU  12           HG3      GLU  12  17.679   0.950   1.741
   93    H    ILE  13           H        ILE  13  19.383   3.472  -1.051
   94    HA   ILE  13           HA       ILE  13  20.996   3.779   1.192
   95    HB   ILE  13           HB       ILE  13  21.221   5.246  -1.439
   96   HG12  ILE  13          HG12      ILE  13  22.705   2.762  -0.593
   97   HG13  ILE  13          HG13      ILE  13  21.165   2.682  -1.442
   98   HG21  ILE  13          HG21      ILE  13  23.624   5.411  -0.848
   99   HG22  ILE  13          HG22      ILE  13  22.571   6.326   0.230
  100   HG23  ILE  13          HG23      ILE  13  23.236   4.779   0.753
  101   HD11  ILE  13          HD11      ILE  13  23.753   3.835  -2.435
  102   HD12  ILE  13          HD12      ILE  13  22.876   2.436  -3.054
  103   HD13  ILE  13          HD13      ILE  13  22.209   4.056  -3.257
  104    H    ALA  14           H        ALA  14  18.914   6.116  -0.437
  105    HA   ALA  14           HA       ALA  14  19.756   8.368   1.082
  106    HB1  ALA  14           HB1      ALA  14  17.257   9.039   0.250
  107    HB2  ALA  14           HB2      ALA  14  18.719   9.202  -0.724
  108    HB3  ALA  14           HB3      ALA  14  17.688   7.784  -0.912
  109    H    CYS  15           H        CYS  15  16.852   6.308   1.265
  110    HA   CYS  15           HA       CYS  15  15.704   7.529   3.501
  111    HB2  CYS  15           HB2      CYS  15  15.422   4.905   2.138
  112    HB3  CYS  15           HB3      CYS  15  14.800   5.017   3.781
  113    H    GLY  16           H        GLY  16  18.096   4.949   3.250
  114    HA2  GLY  16           HA2      GLY  16  18.147   4.039   5.864
  115    HA3  GLY  16           HA3      GLY  16  19.550   4.090   4.806
  116    H    GLN  17           H        GLN  17  19.834   6.842   4.490
  117    HA   GLN  17           HA       GLN  17  21.265   7.507   6.827
  118    HB2  GLN  17           HB2      GLN  17  20.367   9.335   4.594
  119    HB3  GLN  17           HB3      GLN  17  21.634   9.677   5.764
  120    HG2  GLN  17           HG2      GLN  17  23.070   8.069   4.845
  121    HG3  GLN  17           HG3      GLN  17  21.768   7.310   3.930
  122   HE21  GLN  17          HE21      GLN  17  21.932   7.671   1.848
  123   HE22  GLN  17          HE22      GLN  17  22.500   9.121   1.100
  124    H    CYS  18           H        CYS  18  18.279   8.906   5.473
  125    HA   CYS  18           HA       CYS  18  17.756  10.678   7.569
  126    HB2  CYS  18           HB2      CYS  18  16.156   9.450   5.384
  127    HB3  CYS  18           HB3      CYS  18  15.266  10.181   6.716
  128    H    ARG  19           H        ARG  19  17.116   7.260   7.233
  129    HA   ARG  19           HA       ARG  19  15.204   6.905   9.227
  130    HB2  ARG  19           HB2      ARG  19  15.827   5.129   7.675
  131    HB3  ARG  19           HB3      ARG  19  17.435   5.048   8.384
  132    HG2  ARG  19           HG2      ARG  19  16.344   4.415  10.551
  133    HG3  ARG  19           HG3      ARG  19  14.826   4.280   9.662
  134    HD2  ARG  19           HD2      ARG  19  15.405   2.170   9.241
  135    HD3  ARG  19           HD3      ARG  19  16.612   2.826   8.136
  136    HE   ARG  19           HE       ARG  19  17.838   2.862  10.569
  137   HH11  ARG  19          HH11      ARG  19  16.270   0.417   8.650
  138   HH12  ARG  19          HH12      ARG  19  17.254  -0.874   9.255
  139   HH21  ARG  19          HH21      ARG  19  19.140   1.171  11.373
  140   HH22  ARG  19          HH22      ARG  19  18.886  -0.445  10.805
  141    H    ASP  20           H        ASP  20  18.701   7.210   9.443
  142    HA   ASP  20           HA       ASP  20  18.751   6.629  12.271
  143    HB2  ASP  20           HB2      ASP  20  20.650   6.030  10.809
  144    HB3  ASP  20           HB3      ASP  20  20.923   7.739  10.480
  145    H    LYS  21           H        LYS  21  19.506   9.499  10.292
  146    HA   LYS  21           HA       LYS  21  19.870  11.312  12.356
  147    HB2  LYS  21           HB2      LYS  21  18.670  11.838   9.630
  148    HB3  LYS  21           HB3      LYS  21  19.333  13.061  10.707
  149    HG2  LYS  21           HG2      LYS  21  21.037  10.772   9.833
  150    HG3  LYS  21           HG3      LYS  21  20.765  12.139   8.751
  151    HD2  LYS  21           HD2      LYS  21  21.466  13.601  10.740
  152    HD3  LYS  21           HD3      LYS  21  22.089  12.108  11.447
  153    HE2  LYS  21           HE2      LYS  21  22.844  12.880   8.658
  154    HE3  LYS  21           HE3      LYS  21  23.658  13.627  10.031
  155    HZ1  LYS  21           HZ1      LYS  21  23.963  11.193  10.794
  156    HZ2  LYS  21           HZ2      LYS  21  24.981  11.815   9.595
  157    HZ3  LYS  21           HZ3      LYS  21  23.685  10.814   9.169
  158    H    VAL  22           H        VAL  22  16.879  10.841  10.464
  159    HA   VAL  22           HA       VAL  22  15.235  12.508  11.959
  160    HB   VAL  22           HB       VAL  22  14.452   9.969  10.520
  161   HG11  VAL  22          HG11      VAL  22  12.463  10.332  11.474
  162   HG12  VAL  22          HG12      VAL  22  12.919  11.947  12.019
  163   HG13  VAL  22          HG13      VAL  22  12.331  11.704  10.374
  164   HG21  VAL  22          HG21      VAL  22  14.237  12.782   9.486
  165   HG22  VAL  22          HG22      VAL  22  15.670  11.790   9.218
  166   HG23  VAL  22          HG23      VAL  22  14.107  11.268   8.590
  167    H    LYS  23           H        LYS  23  16.429   9.340  12.676
  168    HA   LYS  23           HA       LYS  23  16.126   7.910  14.424
  169    HB2  LYS  23           HB2      LYS  23  15.677  10.604  15.680
  170    HB3  LYS  23           HB3      LYS  23  15.565   9.133  16.637
  171    HG2  LYS  23           HG2      LYS  23  17.887   8.572  15.812
  172    HG3  LYS  23           HG3      LYS  23  17.960  10.222  15.189
  173    HD2  LYS  23           HD2      LYS  23  17.364   9.532  18.063
  174    HD3  LYS  23           HD3      LYS  23  18.976   9.917  17.456
  175    HE2  LYS  23           HE2      LYS  23  18.444  12.129  17.066
  176    HE3  LYS  23           HE3      LYS  23  16.717  11.798  16.932
  177    HZ1  LYS  23           HZ1      LYS  23  16.917  11.195  19.408
  178    HZ2  LYS  23           HZ2      LYS  23  16.902  12.830  18.974
  179    HZ3  LYS  23           HZ3      LYS  23  18.364  12.072  19.361
  180    H    THR  24           H        THR  24  14.063   7.603  12.857
  181    HA   THR  24           HA       THR  24  11.778   7.412  14.695
  182    HB   THR  24           HB       THR  24  11.607   8.301  11.809
  183    HG1  THR  24           HG1      THR  24  10.592  10.164  12.968
  184   HG21  THR  24          HG21      THR  24   9.693   6.993  12.149
  185   HG22  THR  24          HG22      THR  24   9.152   8.635  12.497
  186   HG23  THR  24          HG23      THR  24   9.515   7.526  13.819
  187    H    ASP  25           H        ASP  25  11.320   5.334  14.946
  188    HA   ASP  25           HA       ASP  25  12.266   3.283  13.259
  189    HB2  ASP  25           HB2      ASP  25   9.999   3.132  15.255
  190    HB3  ASP  25           HB3      ASP  25  10.931   1.778  14.622
  191    H    GLY  26           H        GLY  26  11.462   2.398  11.461
  192    HA2  GLY  26           HA2      GLY  26   9.782   1.635  10.003
  193    HA3  GLY  26           HA3      GLY  26   8.613   2.621  10.869
  194    H    TYR  27           H        TYR  27  11.051   4.681  10.470
  195    HA   TYR  27           HA       TYR  27   9.769   6.217   8.504
  196    HB2  TYR  27           HB2      TYR  27  11.365   7.062  10.260
  197    HB3  TYR  27           HB3      TYR  27  12.681   6.411   9.290
  198    HD1  TYR  27           HD1      TYR  27  10.035   8.968   9.434
  199    HD2  TYR  27           HD2      TYR  27  13.420   7.523   7.298
  200    HE1  TYR  27           HE1      TYR  27  10.098  11.055   8.134
  201    HE2  TYR  27           HE2      TYR  27  13.493   9.607   5.993
  202    HH   TYR  27           HH       TYR  27  11.896  12.372   6.855
  203    H    PHE  28           H        PHE  28  12.718   4.235   8.311
  204    HA   PHE  28           HA       PHE  28  13.389   4.698   5.671
  205    HB2  PHE  28           HB2      PHE  28  14.896   3.469   7.065
  206    HB3  PHE  28           HB3      PHE  28  13.699   2.212   7.356
  207    HD1  PHE  28           HD1      PHE  28  15.990   3.654   4.864
  208    HD2  PHE  28           HD2      PHE  28  13.382   0.429   5.821
  209    HE1  PHE  28           HE1      PHE  28  16.884   2.372   2.964
  210    HE2  PHE  28           HE2      PHE  28  14.273  -0.859   3.923
  211    HZ   PHE  28           HZ       PHE  28  16.026   0.112   2.491
  212    H    TYR  29           H        TYR  29  11.359   2.052   6.930
  213    HA   TYR  29           HA       TYR  29  10.637   1.077   4.369
  214    HB2  TYR  29           HB2      TYR  29  10.483  -0.406   6.245
  215    HB3  TYR  29           HB3      TYR  29   9.406   0.693   7.100
  216    HD1  TYR  29           HD1      TYR  29   9.478  -0.929   3.725
  217    HD2  TYR  29           HD2      TYR  29   7.232  -0.043   7.228
  218    HE1  TYR  29           HE1      TYR  29   7.537  -2.099   2.769
  219    HE2  TYR  29           HE2      TYR  29   5.286  -1.212   6.283
  220    HH   TYR  29           HH       TYR  29   5.507  -3.059   3.329
  221    H    GLU  30           H        GLU  30   9.444   3.635   6.361
  222    HA   GLU  30           HA       GLU  30   6.844   3.827   5.214
  223    HB2  GLU  30           HB2      GLU  30   7.328   4.784   7.403
  224    HB3  GLU  30           HB3      GLU  30   8.503   5.879   6.688
  225    HG2  GLU  30           HG2      GLU  30   6.691   6.934   5.395
  226    HG3  GLU  30           HG3      GLU  30   5.533   5.878   6.202
  227    H    CYS  31           H        CYS  31   9.807   5.758   4.764
  228    HA   CYS  31           HA       CYS  31   8.737   7.252   2.588
  229    HB2  CYS  31           HB2      CYS  31  11.080   8.021   2.277
  230    HB3  CYS  31           HB3      CYS  31  10.518   8.189   3.937
  231    H    CYS  32           H        CYS  32  10.422   4.228   2.875
  232    HA   CYS  32           HA       CYS  32  11.427   3.962   0.279
  233    HB2  CYS  32           HB2      CYS  32  10.808   2.158   2.524
  234    HB3  CYS  32           HB3      CYS  32  10.774   1.394   0.939
  235    H    THR  33           H        THR  33   8.201   3.794   1.483
  236    HA   THR  33           HA       THR  33   7.265   2.838  -1.145
  237    HB   THR  33           HB       THR  33   5.234   2.032  -0.059
  238    HG1  THR  33           HG1      THR  33   6.381   3.317   2.155
  239   HG21  THR  33          HG21      THR  33   6.839   0.619   1.780
  240   HG22  THR  33          HG22      THR  33   7.866   0.992   0.395
  241   HG23  THR  33          HG23      THR  33   6.352   0.118   0.161
  242    H    SER  34           H        SER  34   7.122   5.335   1.237
  243    HA   SER  34           HA       SER  34   4.910   6.660  -0.162
  244    HB2  SER  34           HB2      SER  34   4.649   8.038   1.771
  245    HB3  SER  34           HB3      SER  34   4.878   6.393   2.361
  246    HG   SER  34           HG       SER  34   6.195   7.756   3.541
  247    H    ASP  35           H        ASP  35   5.505   7.938  -1.776
  248    HA   ASP  35           HA       ASP  35   8.114   8.976  -2.114
  249    HB2  ASP  35           HB2      ASP  35   6.216   8.541  -3.860
  250    HB3  ASP  35           HB3      ASP  35   5.727  10.186  -3.466
  251    H    SER  36           H        SER  36   5.145  10.320  -0.792
  252    HA   SER  36           HA       SER  36   5.839  13.009  -0.678
  253    HB2  SER  36           HB2      SER  36   4.256  11.547   1.443
  254    HB3  SER  36           HB3      SER  36   4.138  13.250   1.000
  255    HG   SER  36           HG       SER  36   2.721  11.289   0.037
  256    H    THR  37           H        THR  37   6.319  10.501   1.804
  257    HA   THR  37           HA       THR  37   7.582  12.055   3.722
  258    HB   THR  37           HB       THR  37   8.144   9.153   3.081
  259    HG1  THR  37           HG1      THR  37   6.153  10.468   4.603
  260   HG21  THR  37          HG21      THR  37   8.668  10.805   5.552
  261   HG22  THR  37          HG22      THR  37   9.862  10.013   4.524
  262   HG23  THR  37          HG23      THR  37   8.758   9.045   5.500
  263    H    PHE  38           H        PHE  38   8.793  10.831   0.713
  264    HA   PHE  38           HA       PHE  38  11.560  10.989   1.271
  265    HB2  PHE  38           HB2      PHE  38  10.316   9.871  -0.723
  266    HB3  PHE  38           HB3      PHE  38  10.423  11.462  -1.468
  267    HD1  PHE  38           HD1      PHE  38  12.635   9.056   0.336
  268    HD2  PHE  38           HD2      PHE  38  12.206  11.843  -2.853
  269    HE1  PHE  38           HE1      PHE  38  14.921   8.542  -0.417
  270    HE2  PHE  38           HE2      PHE  38  14.490  11.333  -3.611
  271    HZ   PHE  38           HZ       PHE  38  15.851   9.681  -2.393
  272    H    LYS  39           H        LYS  39   9.196  13.332   0.157
  273    HA   LYS  39           HA       LYS  39  10.896  15.360  -0.712
  274    HB2  LYS  39           HB2      LYS  39   8.158  15.423   0.542
  275    HB3  LYS  39           HB3      LYS  39   8.973  16.892   0.023
  276    HG2  LYS  39           HG2      LYS  39   9.216  15.619  -2.241
  277    HG3  LYS  39           HG3      LYS  39   7.879  14.653  -1.612
  278    HD2  LYS  39           HD2      LYS  39   6.403  16.405  -1.683
  279    HD3  LYS  39           HD3      LYS  39   7.667  17.620  -1.478
  280    HE2  LYS  39           HE2      LYS  39   8.445  16.873  -3.823
  281    HE3  LYS  39           HE3      LYS  39   6.844  16.146  -3.956
  282    HZ1  LYS  39           HZ1      LYS  39   6.545  18.240  -4.844
  283    HZ2  LYS  39           HZ2      LYS  39   7.568  18.993  -3.727
  284    HZ3  LYS  39           HZ3      LYS  39   6.033  18.467  -3.247
  285    H    LYS  40           H        LYS  40   9.453  14.935   2.520
  286    HA   LYS  40           HA       LYS  40  10.696  17.084   3.773
  287    HB2  LYS  40           HB2      LYS  40   9.706  14.437   4.810
  288    HB3  LYS  40           HB3      LYS  40  10.422  15.634   5.882
  289    HG2  LYS  40           HG2      LYS  40   8.155  16.052   6.063
  290    HG3  LYS  40           HG3      LYS  40   8.685  17.251   4.881
  291    HD2  LYS  40           HD2      LYS  40   7.766  16.049   3.087
  292    HD3  LYS  40           HD3      LYS  40   7.625  14.569   4.039
  293    HE2  LYS  40           HE2      LYS  40   5.459  15.729   3.635
  294    HE3  LYS  40           HE3      LYS  40   5.844  15.500   5.340
  295    HZ1  LYS  40           HZ1      LYS  40   6.739  18.003   4.181
  296    HZ2  LYS  40           HZ2      LYS  40   6.021  17.699   5.682
  297    HZ3  LYS  40           HZ3      LYS  40   5.061  17.822   4.295
  298    H    CYS  41           H        CYS  41  11.785  13.713   3.499
  299    HA   CYS  41           HA       CYS  41  14.153  13.998   4.981
  300    HB2  CYS  41           HB2      CYS  41  13.329  11.798   4.515
  301    HB3  CYS  41           HB3      CYS  41  13.391  12.079   2.778
  302    H    GLN  42           H        GLN  42  13.476  14.437   1.541
  303    HA   GLN  42           HA       GLN  42  16.054  14.728   0.574
  304    HB2  GLN  42           HB2      GLN  42  13.381  15.726  -0.260
  305    HB3  GLN  42           HB3      GLN  42  14.788  16.481  -0.997
  306    HG2  GLN  42           HG2      GLN  42  15.496  13.962  -1.367
  307    HG3  GLN  42           HG3      GLN  42  13.753  13.718  -1.271
  308   HE21  GLN  42          HE21      GLN  42  15.172  13.159  -3.562
  309   HE22  GLN  42          HE22      GLN  42  14.726  14.279  -4.799
  310    H    ASP  43           H        ASP  43  14.050  17.011   2.322
  311    HA   ASP  43           HA       ASP  43  15.698  19.287   1.863
  312    HB2  ASP  43           HB2      ASP  43  13.255  19.277   2.599
  313    HB3  ASP  43           HB3      ASP  43  13.848  18.900   4.214
  314    H    LEU  44           H        LEU  44  15.622  16.753   4.282
  315    HA   LEU  44           HA       LEU  44  17.402  17.995   6.115
  316    HB2  LEU  44           HB2      LEU  44  17.004  15.035   5.785
  317    HB3  LEU  44           HB3      LEU  44  17.470  15.914   7.240
  318    HG   LEU  44           HG       LEU  44  14.754  15.994   5.926
  319   HD11  LEU  44          HD11      LEU  44  14.982  13.878   6.932
  320   HD12  LEU  44          HD12      LEU  44  14.100  14.866   8.097
  321   HD13  LEU  44          HD13      LEU  44  15.818  14.546   8.334
  322   HD21  LEU  44          HD21      LEU  44  14.929  18.056   6.952
  323   HD22  LEU  44          HD22      LEU  44  15.964  17.445   8.243
  324   HD23  LEU  44          HD23      LEU  44  14.241  17.064   8.238
  325    H    LEU  45           H        LEU  45  17.872  15.464   3.655
  326    HA   LEU  45           HA       LEU  45  20.639  15.168   4.027
  327    HB2  LEU  45           HB2      LEU  45  18.943  14.705   1.580
  328    HB3  LEU  45           HB3      LEU  45  20.619  14.186   1.745
  329    HG   LEU  45           HG       LEU  45  18.271  13.202   3.365
  330   HD11  LEU  45          HD11      LEU  45  18.470  12.427   0.980
  331   HD12  LEU  45          HD12      LEU  45  18.510  11.154   2.199
  332   HD13  LEU  45          HD13      LEU  45  20.005  11.685   1.430
  333   HD21  LEU  45          HD21      LEU  45  21.120  13.145   3.870
  334   HD22  LEU  45          HD22      LEU  45  20.444  11.521   3.751
  335   HD23  LEU  45          HD23      LEU  45  19.779  12.671   4.912
  336    H    HIS  46           H        HIS  46  18.778  17.558   2.350
  337    HA   HIS  46           HA       HIS  46  21.224  18.679   1.162
  338    HB2  HIS  46           HB2      HIS  46  18.313  18.942   0.453
  339    HB3  HIS  46           HB3      HIS  46  19.494  20.120  -0.113
  340    HD1  HIS  46           HD1      HIS  46  20.113  16.400   0.079
  341    HD2  HIS  46           HD2      HIS  46  19.523  19.378  -2.757
  342    HE1  HIS  46           HE1      HIS  46  20.597  15.320  -2.140
  Start of MODEL   25
    1    H1   ALA   1           H1       ALA   1  -0.125  -1.259  -0.547
    2    HA   ALA   1           HA       ALA   1   1.529   1.032  -0.703
    3    HB1  ALA   1           HB1      ALA   1   1.097   0.947   1.765
    4    HB2  ALA   1           HB2      ALA   1   1.954  -0.594   1.796
    5    HB3  ALA   1           HB3      ALA   1   2.798   0.875   1.305
    6    H    ASP   2           H        ASP   2   3.344   0.537  -1.792
    7    HA   ASP   2           HA       ASP   2   4.213  -2.272  -1.855
    8    HB2  ASP   2           HB2      ASP   2   3.503  -0.483  -4.141
    9    HB3  ASP   2           HB3      ASP   2   4.810  -1.644  -4.355
   10    H    ASN   3           H        ASN   3   6.406  -2.621  -2.018
   11    HA   ASN   3           HA       ASN   3   8.089  -0.476  -1.151
   12    HB2  ASN   3           HB2      ASN   3   8.217  -3.087  -0.707
   13    HB3  ASN   3           HB3      ASN   3   9.234  -3.049  -2.144
   14   HD21  ASN   3          HD21      ASN   3  10.327  -3.881   0.156
   15   HD22  ASN   3          HD22      ASN   3  11.419  -2.697   0.781
   16    H    LYS   4           H        LYS   4   8.989   0.992  -2.419
   17    HA   LYS   4           HA       LYS   4   9.361   0.391  -5.265
   18    HB2  LYS   4           HB2      LYS   4   9.560   3.082  -3.912
   19    HB3  LYS   4           HB3      LYS   4   9.426   2.761  -5.636
   20    HG2  LYS   4           HG2      LYS   4   7.289   2.117  -3.617
   21    HG3  LYS   4           HG3      LYS   4   7.333   3.581  -4.602
   22    HD2  LYS   4           HD2      LYS   4   7.536   0.950  -5.977
   23    HD3  LYS   4           HD3      LYS   4   5.963   1.443  -5.347
   24    HE2  LYS   4           HE2      LYS   4   6.553   3.699  -6.564
   25    HE3  LYS   4           HE3      LYS   4   7.616   2.658  -7.510
   26    HZ1  LYS   4           HZ1      LYS   4   5.494   1.214  -7.726
   27    HZ2  LYS   4           HZ2      LYS   4   5.676   2.579  -8.707
   28    HZ3  LYS   4           HZ3      LYS   4   4.681   2.647  -7.341
   29    H    CYS   5           H        CYS   5  11.082   1.601  -2.424
   30    HA   CYS   5           HA       CYS   5  13.546   2.113  -3.670
   31    HB2  CYS   5           HB2      CYS   5  14.485   2.173  -1.463
   32    HB3  CYS   5           HB3      CYS   5  12.870   2.868  -1.374
   33    H    GLU   6           H        GLU   6  12.032  -0.835  -2.673
   34    HA   GLU   6           HA       GLU   6  14.195  -2.526  -2.314
   35    HB2  GLU   6           HB2      GLU   6  11.771  -3.094  -1.977
   36    HB3  GLU   6           HB3      GLU   6  11.628  -3.268  -3.721
   37    HG2  GLU   6           HG2      GLU   6  13.213  -5.084  -3.713
   38    HG3  GLU   6           HG3      GLU   6  13.494  -4.868  -1.986
   39    H    ASN   7           H        ASN   7  12.925  -1.139  -5.236
   40    HA   ASN   7           HA       ASN   7  14.662  -2.838  -6.876
   41    HB2  ASN   7           HB2      ASN   7  12.181  -2.397  -7.428
   42    HB3  ASN   7           HB3      ASN   7  12.718  -0.798  -7.937
   43   HD21  ASN   7          HD21      ASN   7  11.566  -2.137  -9.832
   44   HD22  ASN   7          HD22      ASN   7  12.692  -2.816 -10.953
   45    H    SER   8           H        SER   8  14.210   0.440  -5.786
   46    HA   SER   8           HA       SER   8  16.326   1.420  -7.546
   47    HB2  SER   8           HB2      SER   8  14.229   2.708  -5.849
   48    HB3  SER   8           HB3      SER   8  15.694   3.620  -6.214
   49    HG   SER   8           HG       SER   8  13.721   2.645  -7.968
   50    H    LEU   9           H        LEU   9  18.350   1.212  -6.878
   51    HA   LEU   9           HA       LEU   9  19.100   0.624  -4.223
   52    HB2  LEU   9           HB2      LEU   9  21.319   0.662  -4.978
   53    HB3  LEU   9           HB3      LEU   9  20.365   0.096  -6.348
   54    HG   LEU   9           HG       LEU   9  20.456   2.702  -6.945
   55   HD11  LEU   9          HD11      LEU   9  22.600   2.242  -4.984
   56   HD12  LEU   9          HD12      LEU   9  21.792   3.735  -5.459
   57   HD13  LEU   9          HD13      LEU   9  23.083   3.073  -6.462
   58   HD21  LEU   9          HD21      LEU   9  22.233   2.170  -8.489
   59   HD22  LEU   9          HD22      LEU   9  21.137   0.795  -8.358
   60   HD23  LEU   9          HD23      LEU   9  22.693   0.765  -7.527
   61    H    ARG  10           H        ARG  10  18.933   3.624  -6.046
   62    HA   ARG  10           HA       ARG  10  20.314   5.226  -4.151
   63    HB2  ARG  10           HB2      ARG  10  18.706   5.680  -6.589
   64    HB3  ARG  10           HB3      ARG  10  18.734   7.012  -5.441
   65    HG2  ARG  10           HG2      ARG  10  21.159   7.066  -5.528
   66    HG3  ARG  10           HG3      ARG  10  21.163   5.687  -6.630
   67    HD2  ARG  10           HD2      ARG  10  20.005   8.422  -7.154
   68    HD3  ARG  10           HD3      ARG  10  21.456   7.733  -7.882
   69    HE   ARG  10           HE       ARG  10  19.559   5.960  -8.581
   70   HH11  ARG  10          HH11      ARG  10  19.729   9.430  -8.802
   71   HH12  ARG  10          HH12      ARG  10  18.735   9.519 -10.218
   72   HH21  ARG  10          HH21      ARG  10  18.249   6.063 -10.445
   73   HH22  ARG  10          HH22      ARG  10  17.893   7.603 -11.152
   74    H    ARG  11           H        ARG  11  16.878   4.577  -4.745
   75    HA   ARG  11           HA       ARG  11  15.846   6.334  -2.814
   76    HB2  ARG  11           HB2      ARG  11  14.458   5.336  -4.563
   77    HB3  ARG  11           HB3      ARG  11  14.692   3.743  -3.857
   78    HG2  ARG  11           HG2      ARG  11  12.572   4.403  -3.144
   79    HG3  ARG  11           HG3      ARG  11  13.619   4.698  -1.754
   80    HD2  ARG  11           HD2      ARG  11  13.450   6.965  -1.934
   81    HD3  ARG  11           HD3      ARG  11  13.239   6.919  -3.684
   82    HE   ARG  11           HE       ARG  11  11.184   6.985  -1.735
   83   HH11  ARG  11          HH11      ARG  11  12.002   5.598  -4.822
   84   HH12  ARG  11          HH12      ARG  11  10.355   5.448  -5.338
   85   HH21  ARG  11          HH21      ARG  11   9.012   6.792  -2.403
   86   HH22  ARG  11          HH22      ARG  11   8.655   6.128  -3.961
   87    H    GLU  12           H        GLU  12  16.996   3.017  -2.595
   88    HA   GLU  12           HA       GLU  12  16.080   2.577   0.069
   89    HB2  GLU  12           HB2      GLU  12  16.749   0.844  -1.738
   90    HB3  GLU  12           HB3      GLU  12  18.393   1.120  -1.179
   91    HG2  GLU  12           HG2      GLU  12  17.528   0.575   1.146
   92    HG3  GLU  12           HG3      GLU  12  16.075  -0.019   0.344
   93    H    ILE  13           H        ILE  13  19.263   3.351  -1.319
   94    HA   ILE  13           HA       ILE  13  20.634   3.491   1.141
   95    HB   ILE  13           HB       ILE  13  21.280   4.877  -1.464
   96   HG12  ILE  13          HG12      ILE  13  22.595   2.389  -0.418
   97   HG13  ILE  13          HG13      ILE  13  21.085   2.283  -1.317
   98   HG21  ILE  13          HG21      ILE  13  22.574   5.992   0.104
   99   HG22  ILE  13          HG22      ILE  13  22.795   4.550   1.094
  100   HG23  ILE  13          HG23      ILE  13  23.648   4.705  -0.442
  101   HD11  ILE  13          HD11      ILE  13  22.712   1.958  -2.930
  102   HD12  ILE  13          HD12      ILE  13  22.307   3.666  -3.104
  103   HD13  ILE  13          HD13      ILE  13  23.775   3.190  -2.250
  104    H    ALA  14           H        ALA  14  18.715   5.808  -0.636
  105    HA   ALA  14           HA       ALA  14  19.569   8.123   0.777
  106    HB1  ALA  14           HB1      ALA  14  18.567   8.454  -1.342
  107    HB2  ALA  14           HB2      ALA  14  17.128   7.544  -0.883
  108    HB3  ALA  14           HB3      ALA  14  17.447   9.117  -0.152
  109    H    CYS  15           H        CYS  15  16.665   6.077   1.053
  110    HA   CYS  15           HA       CYS  15  15.475   7.413   3.192
  111    HB2  CYS  15           HB2      CYS  15  15.249   4.727   1.973
  112    HB3  CYS  15           HB3      CYS  15  14.675   4.863   3.631
  113    H    GLY  16           H        GLY  16  17.805   4.737   3.187
  114    HA2  GLY  16           HA2      GLY  16  17.866   4.148   5.890
  115    HA3  GLY  16           HA3      GLY  16  19.249   4.002   4.815
  116    H    GLN  17           H        GLN  17  19.692   6.658   4.166
  117    HA   GLN  17           HA       GLN  17  21.267   7.533   6.286
  118    HB2  GLN  17           HB2      GLN  17  20.166   8.963   3.876
  119    HB3  GLN  17           HB3      GLN  17  21.217   9.768   5.032
  120    HG2  GLN  17           HG2      GLN  17  22.746   7.668   4.576
  121    HG3  GLN  17           HG3      GLN  17  21.836   7.635   3.066
  122   HE21  GLN  17          HE21      GLN  17  22.482   8.911   1.472
  123   HE22  GLN  17          HE22      GLN  17  23.622  10.201   1.614
  124    H    CYS  18           H        CYS  18  18.082   8.723   5.234
  125    HA   CYS  18           HA       CYS  18  17.827  10.621   7.328
  126    HB2  CYS  18           HB2      CYS  18  16.082   9.508   5.210
  127    HB3  CYS  18           HB3      CYS  18  15.259  10.170   6.619
  128    H    ARG  19           H        ARG  19  17.034   7.233   7.019
  129    HA   ARG  19           HA       ARG  19  15.239   6.939   9.129
  130    HB2  ARG  19           HB2      ARG  19  15.726   5.158   7.511
  131    HB3  ARG  19           HB3      ARG  19  17.345   4.991   8.176
  132    HG2  ARG  19           HG2      ARG  19  16.047   4.559  10.411
  133    HG3  ARG  19           HG3      ARG  19  14.731   4.143   9.312
  134    HD2  ARG  19           HD2      ARG  19  15.867   2.339   8.424
  135    HD3  ARG  19           HD3      ARG  19  17.446   2.984   8.869
  136    HE   ARG  19           HE       ARG  19  17.239   1.995  10.931
  137   HH11  ARG  19          HH11      ARG  19  14.160   1.957   9.307
  138   HH12  ARG  19          HH12      ARG  19  13.411   0.916  10.472
  139   HH21  ARG  19          HH21      ARG  19  16.265   0.623  12.471
  140   HH22  ARG  19          HH22      ARG  19  14.610   0.158  12.271
  141    H    ASP  20           H        ASP  20  18.751   7.116   9.125
  142    HA   ASP  20           HA       ASP  20  18.977   6.488  11.928
  143    HB2  ASP  20           HB2      ASP  20  20.721   6.117  10.013
  144    HB3  ASP  20           HB3      ASP  20  21.164   7.790  10.342
  145    H    LYS  21           H        LYS  21  19.636   9.400   9.976
  146    HA   LYS  21           HA       LYS  21  20.134  11.148  12.080
  147    HB2  LYS  21           HB2      LYS  21  19.036  11.590   9.311
  148    HB3  LYS  21           HB3      LYS  21  19.309  12.927  10.421
  149    HG2  LYS  21           HG2      LYS  21  21.500  10.990   9.789
  150    HG3  LYS  21           HG3      LYS  21  21.135  12.338   8.710
  151    HD2  LYS  21           HD2      LYS  21  21.705  13.934  10.318
  152    HD3  LYS  21           HD3      LYS  21  21.569  12.778  11.645
  153    HE2  LYS  21           HE2      LYS  21  23.556  11.611  10.836
  154    HE3  LYS  21           HE3      LYS  21  23.683  12.745   9.492
  155    HZ1  LYS  21           HZ1      LYS  21  24.772  14.160  10.778
  156    HZ2  LYS  21           HZ2      LYS  21  24.787  13.004  12.014
  157    HZ3  LYS  21           HZ3      LYS  21  23.544  14.149  11.942
  158    H    VAL  22           H        VAL  22  17.076  10.862  10.258
  159    HA   VAL  22           HA       VAL  22  15.514  12.499  11.839
  160    HB   VAL  22           HB       VAL  22  14.636   9.979  10.421
  161   HG11  VAL  22          HG11      VAL  22  13.187  12.028  11.941
  162   HG12  VAL  22          HG12      VAL  22  12.519  11.681  10.345
  163   HG13  VAL  22          HG13      VAL  22  12.718  10.381  11.520
  164   HG21  VAL  22          HG21      VAL  22  14.419  12.797   9.404
  165   HG22  VAL  22          HG22      VAL  22  15.833  11.793   9.084
  166   HG23  VAL  22          HG23      VAL  22  14.244  11.287   8.510
  167    H    LYS  23           H        LYS  23  16.580   9.235  12.433
  168    HA   LYS  23           HA       LYS  23  16.329   7.813  14.193
  169    HB2  LYS  23           HB2      LYS  23  16.098  10.515  15.479
  170    HB3  LYS  23           HB3      LYS  23  15.898   9.058  16.443
  171    HG2  LYS  23           HG2      LYS  23  18.172   8.387  15.313
  172    HG3  LYS  23           HG3      LYS  23  18.326  10.133  15.106
  173    HD2  LYS  23           HD2      LYS  23  19.376   9.584  17.167
  174    HD3  LYS  23           HD3      LYS  23  17.841  10.360  17.565
  175    HE2  LYS  23           HE2      LYS  23  16.886   8.393  18.295
  176    HE3  LYS  23           HE3      LYS  23  17.958   7.388  17.322
  177    HZ1  LYS  23           HZ1      LYS  23  19.726   8.480  18.945
  178    HZ2  LYS  23           HZ2      LYS  23  18.901   7.056  19.333
  179    HZ3  LYS  23           HZ3      LYS  23  18.380   8.534  19.968
  180    H    THR  24           H        THR  24  14.229   7.442  12.812
  181    HA   THR  24           HA       THR  24  12.021   7.375  14.734
  182    HB   THR  24           HB       THR  24  11.726   8.320  11.876
  183    HG1  THR  24           HG1      THR  24  11.159   9.673  14.320
  184   HG21  THR  24          HG21      THR  24   9.328   8.679  12.592
  185   HG22  THR  24          HG22      THR  24   9.686   7.679  14.000
  186   HG23  THR  24          HG23      THR  24   9.815   6.999  12.378
  187    H    ASP  25           H        ASP  25  11.506   5.310  14.980
  188    HA   ASP  25           HA       ASP  25  12.293   3.249  13.233
  189    HB2  ASP  25           HB2      ASP  25  10.918   1.784  14.620
  190    HB3  ASP  25           HB3      ASP  25  11.839   2.896  15.630
  191    H    GLY  26           H        GLY  26  11.427   2.508  11.408
  192    HA2  GLY  26           HA2      GLY  26   9.644   1.795  10.027
  193    HA3  GLY  26           HA3      GLY  26   8.557   2.836  10.934
  194    H    TYR  27           H        TYR  27  11.073   4.778  10.474
  195    HA   TYR  27           HA       TYR  27   9.810   6.358   8.519
  196    HB2  TYR  27           HB2      TYR  27  11.431   7.157  10.279
  197    HB3  TYR  27           HB3      TYR  27  12.727   6.486   9.295
  198    HD1  TYR  27           HD1      TYR  27  13.336   7.517   7.168
  199    HD2  TYR  27           HD2      TYR  27  10.271   9.172   9.611
  200    HE1  TYR  27           HE1      TYR  27  13.442   9.607   5.874
  201    HE2  TYR  27           HE2      TYR  27  10.367  11.265   8.324
  202    HH   TYR  27           HH       TYR  27  11.230  11.766   5.685
  203    H    PHE  28           H        PHE  28  12.681   4.270   8.332
  204    HA   PHE  28           HA       PHE  28  13.392   4.721   5.699
  205    HB2  PHE  28           HB2      PHE  28  14.833   3.422   7.101
  206    HB3  PHE  28           HB3      PHE  28  13.583   2.211   7.366
  207    HD1  PHE  28           HD1      PHE  28  13.034   0.590   5.638
  208    HD2  PHE  28           HD2      PHE  28  16.135   3.453   5.084
  209    HE1  PHE  28           HE1      PHE  28  13.894  -0.714   3.737
  210    HE2  PHE  28           HE2      PHE  28  16.999   2.154   3.181
  211    HZ   PHE  28           HZ       PHE  28  15.877   0.068   2.505
  212    H    TYR  29           H        TYR  29  11.245   2.155   6.927
  213    HA   TYR  29           HA       TYR  29  10.496   1.244   4.344
  214    HB2  TYR  29           HB2      TYR  29  10.316  -0.248   6.232
  215    HB3  TYR  29           HB3      TYR  29   9.213   0.851   7.054
  216    HD1  TYR  29           HD1      TYR  29   6.887   1.061   6.315
  217    HD2  TYR  29           HD2      TYR  29   9.546  -1.697   4.464
  218    HE1  TYR  29           HE1      TYR  29   4.970  -0.094   5.296
  219    HE2  TYR  29           HE2      TYR  29   7.636  -2.859   3.439
  220    HH   TYR  29           HH       TYR  29   5.261  -3.143   3.769
  221    H    GLU  30           H        GLU  30   9.350   3.763   6.431
  222    HA   GLU  30           HA       GLU  30   6.762   4.073   5.325
  223    HB2  GLU  30           HB2      GLU  30   7.213   5.049   7.459
  224    HB3  GLU  30           HB3      GLU  30   8.568   5.970   6.821
  225    HG2  GLU  30           HG2      GLU  30   6.585   7.354   7.228
  226    HG3  GLU  30           HG3      GLU  30   7.081   7.359   5.537
  227    H    CYS  31           H        CYS  31   9.774   5.900   4.775
  228    HA   CYS  31           HA       CYS  31   8.696   7.418   2.622
  229    HB2  CYS  31           HB2      CYS  31  11.058   8.091   2.231
  230    HB3  CYS  31           HB3      CYS  31  10.552   8.295   3.905
  231    H    CYS  32           H        CYS  32  10.273   4.333   2.875
  232    HA   CYS  32           HA       CYS  32  11.184   4.015   0.250
  233    HB2  CYS  32           HB2      CYS  32  10.594   2.262   2.534
  234    HB3  CYS  32           HB3      CYS  32  10.430   1.478   0.966
  235    H    THR  33           H        THR  33   7.993   3.978   1.555
  236    HA   THR  33           HA       THR  33   6.940   3.051  -1.038
  237    HB   THR  33           HB       THR  33   4.974   2.227   0.061
  238    HG1  THR  33           HG1      THR  33   4.463   3.404   1.769
  239   HG21  THR  33          HG21      THR  33   5.912   0.497   1.525
  240   HG22  THR  33          HG22      THR  33   7.423   1.400   1.624
  241   HG23  THR  33          HG23      THR  33   6.901   0.722   0.083
  242    H    SER  34           H        SER  34   6.982   5.561   1.327
  243    HA   SER  34           HA       SER  34   4.788   6.970  -0.026
  244    HB2  SER  34           HB2      SER  34   4.573   8.326   1.925
  245    HB3  SER  34           HB3      SER  34   4.754   6.667   2.496
  246    HG   SER  34           HG       SER  34   6.252   7.595   3.678
  247    H    ASP  35           H        ASP  35   5.447   8.222  -1.639
  248    HA   ASP  35           HA       ASP  35   8.088   9.188  -1.940
  249    HB2  ASP  35           HB2      ASP  35   7.250  10.391  -3.867
  250    HB3  ASP  35           HB3      ASP  35   6.522   8.788  -3.828
  251    H    SER  36           H        SER  36   5.130  10.618  -0.678
  252    HA   SER  36           HA       SER  36   5.903  13.284  -0.546
  253    HB2  SER  36           HB2      SER  36   4.335  13.280   1.541
  254    HB3  SER  36           HB3      SER  36   3.656  12.912  -0.044
  255    HG   SER  36           HG       SER  36   2.928  11.314   1.249
  256    H    THR  37           H        THR  37   6.220  10.782   1.971
  257    HA   THR  37           HA       THR  37   7.498  12.295   3.905
  258    HB   THR  37           HB       THR  37   8.024   9.378   3.305
  259    HG1  THR  37           HG1      THR  37   5.946  10.723   4.673
  260   HG21  THR  37          HG21      THR  37   9.086  11.151   5.273
  261   HG22  THR  37          HG22      THR  37   9.385   9.425   5.066
  262   HG23  THR  37          HG23      THR  37   8.046   9.974   6.074
  263    H    PHE  38           H        PHE  38   8.749  10.982   0.943
  264    HA   PHE  38           HA       PHE  38  11.510  11.147   1.612
  265    HB2  PHE  38           HB2      PHE  38  10.344   9.842  -0.315
  266    HB3  PHE  38           HB3      PHE  38  10.479  11.357  -1.201
  267    HD1  PHE  38           HD1      PHE  38  12.424   8.737   0.535
  268    HD2  PHE  38           HD2      PHE  38  12.511  12.017  -2.176
  269    HE1  PHE  38           HE1      PHE  38  14.737   8.164  -0.078
  270    HE2  PHE  38           HE2      PHE  38  14.824  11.450  -2.794
  271    HZ   PHE  38           HZ       PHE  38  15.940   9.521  -1.745
  272    H    LYS  39           H        LYS  39   9.165  13.386   0.312
  273    HA   LYS  39           HA       LYS  39  10.830  15.330  -0.768
  274    HB2  LYS  39           HB2      LYS  39   8.195  15.636   0.679
  275    HB3  LYS  39           HB3      LYS  39   8.977  16.928  -0.222
  276    HG2  LYS  39           HG2      LYS  39   8.946  15.087  -2.136
  277    HG3  LYS  39           HG3      LYS  39   7.565  14.516  -1.196
  278    HD2  LYS  39           HD2      LYS  39   7.867  17.381  -2.065
  279    HD3  LYS  39           HD3      LYS  39   7.062  16.164  -3.059
  280    HE2  LYS  39           HE2      LYS  39   5.523  15.713  -1.168
  281    HE3  LYS  39           HE3      LYS  39   6.285  17.028  -0.275
  282    HZ1  LYS  39           HZ1      LYS  39   5.570  18.012  -2.783
  283    HZ2  LYS  39           HZ2      LYS  39   4.918  18.428  -1.278
  284    HZ3  LYS  39           HZ3      LYS  39   4.229  17.174  -2.181
  285    H    LYS  40           H        LYS  40   9.532  15.171   2.549
  286    HA   LYS  40           HA       LYS  40  10.892  17.400   3.549
  287    HB2  LYS  40           HB2      LYS  40   9.678  14.963   4.792
  288    HB3  LYS  40           HB3      LYS  40  10.643  16.044   5.788
  289    HG2  LYS  40           HG2      LYS  40   8.449  16.774   6.079
  290    HG3  LYS  40           HG3      LYS  40   9.139  17.912   4.919
  291    HD2  LYS  40           HD2      LYS  40   8.092  16.703   3.084
  292    HD3  LYS  40           HD3      LYS  40   7.444  15.514   4.217
  293    HE2  LYS  40           HE2      LYS  40   5.639  16.924   3.889
  294    HE3  LYS  40           HE3      LYS  40   6.358  17.570   5.363
  295    HZ1  LYS  40           HZ1      LYS  40   5.942  18.861   2.891
  296    HZ2  LYS  40           HZ2      LYS  40   7.598  18.847   3.235
  297    HZ3  LYS  40           HZ3      LYS  40   6.510  19.514   4.345
  298    H    CYS  41           H        CYS  41  11.851  14.008   3.341
  299    HA   CYS  41           HA       CYS  41  14.235  14.238   4.838
  300    HB2  CYS  41           HB2      CYS  41  13.326  12.057   4.474
  301    HB3  CYS  41           HB3      CYS  41  13.354  12.269   2.726
  302    H    GLN  42           H        GLN  42  13.521  14.609   1.402
  303    HA   GLN  42           HA       GLN  42  16.089  14.732   0.376
  304    HB2  GLN  42           HB2      GLN  42  13.468  15.900  -0.427
  305    HB3  GLN  42           HB3      GLN  42  14.915  16.490  -1.234
  306    HG2  GLN  42           HG2      GLN  42  15.365  13.881  -1.473
  307    HG3  GLN  42           HG3      GLN  42  13.605  13.842  -1.374
  308   HE21  GLN  42          HE21      GLN  42  12.644  13.871  -3.262
  309   HE22  GLN  42          HE22      GLN  42  13.220  14.648  -4.694
  310    H    ASP  43           H        ASP  43  14.243  17.180   2.083
  311    HA   ASP  43           HA       ASP  43  16.020  19.337   1.541
  312    HB2  ASP  43           HB2      ASP  43  13.583  19.481   2.307
  313    HB3  ASP  43           HB3      ASP  43  14.187  19.145   3.927
  314    H    LEU  44           H        LEU  44  15.720  16.988   4.156
  315    HA   LEU  44           HA       LEU  44  17.566  18.123   5.933
  316    HB2  LEU  44           HB2      LEU  44  16.975  15.197   5.515
  317    HB3  LEU  44           HB3      LEU  44  17.699  15.924   6.948
  318    HG   LEU  44           HG       LEU  44  14.863  16.266   5.981
  319   HD11  LEU  44          HD11      LEU  44  14.343  14.590   7.336
  320   HD12  LEU  44          HD12      LEU  44  15.199  15.347   8.679
  321   HD13  LEU  44          HD13      LEU  44  16.066  14.292   7.563
  322   HD21  LEU  44          HD21      LEU  44  14.584  17.535   8.118
  323   HD22  LEU  44          HD22      LEU  44  15.551  18.359   6.894
  324   HD23  LEU  44          HD23      LEU  44  16.342  17.569   8.259
  325    H    LEU  45           H        LEU  45  18.041  15.577   3.486
  326    HA   LEU  45           HA       LEU  45  20.797  15.259   3.877
  327    HB2  LEU  45           HB2      LEU  45  19.091  14.811   1.436
  328    HB3  LEU  45           HB3      LEU  45  20.780  14.321   1.557
  329    HG   LEU  45           HG       LEU  45  18.480  13.269   3.202
  330   HD11  LEU  45          HD11      LEU  45  18.682  12.522   0.806
  331   HD12  LEU  45          HD12      LEU  45  18.750  11.241   2.015
  332   HD13  LEU  45          HD13      LEU  45  20.233  11.806   1.245
  333   HD21  LEU  45          HD21      LEU  45  20.143  11.705   4.123
  334   HD22  LEU  45          HD22      LEU  45  20.482  13.380   4.559
  335   HD23  LEU  45          HD23      LEU  45  21.418  12.593   3.287
  336    H    HIS  46           H        HIS  46  18.983  17.679   2.190
  337    HA   HIS  46           HA       HIS  46  21.505  18.881   1.253
  338    HB2  HIS  46           HB2      HIS  46  18.817  18.698  -0.059
  339    HB3  HIS  46           HB3      HIS  46  19.869  20.063  -0.421
  340    HD1  HIS  46           HD1      HIS  46  21.520  19.698  -2.235
  341    HD2  HIS  46           HD2      HIS  46  20.144  16.118  -0.637
  342    HE1  HIS  46           HE1      HIS  46  22.536  17.891  -3.659